# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/e7a1cd62-e43c-4737-b473-3cf6fd8c94fa/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 GeBr2 / P2_1/c (14) / materials id 541610](https://mdr.nims.go.jp/datasets/f94c878b-5246-4514-b5bf-6ddb7d4367d0) ## 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:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 13.158622710000000, 0.000000000000000, 0.202977440000000 ] # a - [ 0.000000000000000, 7.936572490000000, 0.000000000000000 ] # b - [ -1.304319640000000, 0.000000000000000, 6.746290840000000 ] # c points: - symbol: Ge # 1 coordinates: [ 0.999978790000000, 0.125009780000000, 0.749904610000000 ] mass: 72.640000 - symbol: Ge # 2 coordinates: [ 0.000021210000000, 0.625009780000000, 0.750095390000000 ] mass: 72.640000 - symbol: Ge # 3 coordinates: [ 0.000021210000000, 0.874990220000000, 0.250095390000000 ] mass: 72.640000 - symbol: Ge # 4 coordinates: [ 0.999978790000000, 0.374990220000000, 0.249904610000000 ] mass: 72.640000 - symbol: Ge # 5 coordinates: [ 0.500011900000000, 0.374995350000000, 0.750091280000000 ] mass: 72.640000 - symbol: Ge # 6 coordinates: [ 0.499988100000000, 0.874995350000000, 0.749908720000000 ] mass: 72.640000 - symbol: Ge # 7 coordinates: [ 0.499988100000000, 0.625004650000000, 0.249908720000000 ] mass: 72.640000 - symbol: Ge # 8 coordinates: [ 0.500011900000000, 0.125004650000000, 0.250091280000000 ] mass: 72.640000 - symbol: Br # 9 coordinates: [ 0.623675160000000, 0.124850640000000, 0.624830420000000 ] mass: 79.904000 - symbol: Br # 10 coordinates: [ 0.376324840000000, 0.624850640000000, 0.875169580000000 ] mass: 79.904000 - symbol: Br # 11 coordinates: [ 0.376324840000000, 0.875149360000000, 0.375169580000000 ] mass: 79.904000 - symbol: Br # 12 coordinates: [ 0.623675160000000, 0.375149360000000, 0.124830420000000 ] mass: 79.904000 - symbol: Br # 13 coordinates: [ 0.123622140000000, 0.374849960000000, 0.624587590000000 ] mass: 79.904000 - symbol: Br # 14 coordinates: [ 0.876377860000000, 0.874849960000000, 0.875412410000000 ] mass: 79.904000 - symbol: Br # 15 coordinates: [ 0.876377860000000, 0.625150040000000, 0.375412410000000 ] mass: 79.904000 - symbol: Br # 16 coordinates: [ 0.123622140000000, 0.125150040000000, 0.124587590000000 ] mass: 79.904000 - symbol: Br # 17 coordinates: [ 0.876321440000000, 0.375153600000000, 0.875180700000000 ] mass: 79.904000 - symbol: Br # 18 coordinates: [ 0.123678560000000, 0.875153600000000, 0.624819300000000 ] mass: 79.904000 - symbol: Br # 19 coordinates: [ 0.123678560000000, 0.624846400000000, 0.124819300000000 ] mass: 79.904000 - symbol: Br # 20 coordinates: [ 0.876321440000000, 0.124846400000000, 0.375180700000000 ] mass: 79.904000 - symbol: Br # 21 coordinates: [ 0.376374520000000, 0.125147120000000, 0.875421130000000 ] mass: 79.904000 - symbol: Br # 22 coordinates: [ 0.623625480000000, 0.625147120000000, 0.624578870000000 ] mass: 79.904000 - symbol: Br # 23 coordinates: [ 0.623625480000000, 0.874852880000000, 0.124578870000000 ] mass: 79.904000 - symbol: Br # 24 coordinates: [ 0.376374520000000, 0.374852880000000, 0.375421130000000 ] mass: 79.904000 reciprocal_lattice: # without 2pi - [ 0.075769824520273, 0.000000000000000, 0.014649245427602 ] # a* - [ 0.000000000000000, 0.125998975157096, 0.000000000000000 ] # b* - [ -0.002279706786311, 0.000000000000000, 0.147788845353897 ] # c*unit_cell: lattice: - [ 13.158622710000000, 0.000000000000000, 0.202977440000000 ] # a - [ 0.000000000000000, 7.936572490000000, 0.000000000000000 ] # b - [ -1.304319640000000, 0.000000000000000, 6.746290840000000 ] # c points: - symbol: Ge # 1 coordinates: [ 0.999978790000000, 0.125009780000000, 0.749904610000000 ] mass: 72.640000 reduced_to: 1 - symbol: Ge # 2 coordinates: [ 0.000021210000000, 0.625009780000000, 0.750095390000000 ] mass: 72.640000 reduced_to: 2 - symbol: Ge # 3 coordinates: [ 0.000021210000000, 0.874990220000000, 0.250095390000000 ] mass: 72.640000 reduced_to: 3 - symbol: Ge # 4 coordinates: [ 0.999978790000000, 0.374990220000000, 0.249904610000000 ] mass: 72.640000 reduced_to: 4 - symbol: Ge # 5 coordinates: [ 0.500011900000000, 0.374995350000000, 0.750091280000000 ] mass: 72.640000 reduced_to: 5 - symbol: Ge # 6 coordinates: [ 0.499988100000000, 0.874995350000000, 0.749908720000000 ] mass: 72.640000 reduced_to: 6 - symbol: Ge # 7 coordinates: [ 0.499988100000000, 0.625004650000000, 0.249908720000000 ] mass: 72.640000 reduced_to: 7 - symbol: Ge # 8 coordinates: [ 0.500011900000000, 0.125004650000000, 0.250091280000000 ] mass: 72.640000 reduced_to: 8 - symbol: Br # 9 coordinates: [ 0.623675160000000, 0.124850640000000, 0.624830420000000 ] mass: 79.904000 reduced_to: 9 - symbol: Br # 10 coordinates: [ 0.376324840000000, 0.624850640000000, 0.875169580000000 ] mass: 79.904000 reduced_to: 10 - symbol: Br # 11 coordinates: [ 0.376324840000000, 0.875149360000000, 0.375169580000000 ] mass: 79.904000 reduced_to: 11 - symbol: Br # 12 coordinates: [ 0.623675160000000, 0.375149360000000, 0.124830420000000 ] mass: 79.904000 reduced_to: 12 - symbol: Br # 13 coordinates: [ 0.123622140000000, 0.374849960000000, 0.624587590000000 ] mass: 79.904000 reduced_to: 13 - symbol: Br # 14 coordinates: [ 0.876377860000000, 0.874849960000000, 0.875412410000000 ] mass: 79.904000 reduced_to: 14 - symbol: Br # 15 coordinates: [ 0.876377860000000, 0.625150040000000, 0.375412410000000 ] mass: 79.904000 reduced_to: 15 - symbol: Br # 16 coordinates: [ 0.123622140000000, 0.125150040000000, 0.124587590000000 ] mass: 79.904000 reduced_to: 16 - symbol: Br # 17 coordinates: [ 0.876321440000000, 0.375153600000000, 0.875180700000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 18 coordinates: [ 0.123678560000000, 0.875153600000000, 0.624819300000000 ] mass: 79.904000 reduced_to: 18 - symbol: Br # 19 coordinates: [ 0.123678560000000, 0.624846400000000, 0.124819300000000 ] mass: 79.904000 reduced_to: 19 - symbol: Br # 20 coordinates: [ 0.876321440000000, 0.124846400000000, 0.375180700000000 ] mass: 79.904000 reduced_to: 20 - symbol: Br # 21 coordinates: [ 0.376374520000000, 0.125147120000000, 0.875421130000000 ] mass: 79.904000 reduced_to: 21 - symbol: Br # 22 coordinates: [ 0.623625480000000, 0.625147120000000, 0.624578870000000 ] mass: 79.904000 reduced_to: 22 - symbol: Br # 23 coordinates: [ 0.623625480000000, 0.874852880000000, 0.124578870000000 ] mass: 79.904000 reduced_to: 23 - symbol: Br # 24 coordinates: [ 0.376374520000000, 0.374852880000000, 0.375421130000000 ] mass: 79.904000 reduced_to: 24supercell: lattice: - [ 13.158622710000000, 0.000000000000000, 0.202977440000000 ] # a - [ 0.000000000000000, 15.873144979999999, 0.000000000000000 ] # b - [ -2.608639280000000, 0.000000000000000, 13.492581680000001 ] # c points: - symbol: Ge # 1 coordinates: [ 0.999978790000000, 0.062504890000000, 0.374952305000000 ] mass: 72.640000 reduced_to: 1 - symbol: Ge # 2 coordinates: [ 0.999978790000000, 0.562504890000000, 0.374952305000000 ] mass: 72.640000 reduced_to: 1 - symbol: Ge # 3 coordinates: [ 0.999978790000000, 0.062504890000000, 0.874952305000000 ] mass: 72.640000 reduced_to: 1 - symbol: Ge # 4 coordinates: [ 0.999978790000000, 0.562504890000000, 0.874952305000000 ] mass: 72.640000 reduced_to: 1 - symbol: Ge # 5 coordinates: [ 0.000021210000000, 0.312504890000000, 0.375047695000000 ] mass: 72.640000 reduced_to: 5 - symbol: Ge # 6 coordinates: [ 0.000021210000000, 0.812504890000000, 0.375047695000000 ] mass: 72.640000 reduced_to: 5 - symbol: Ge # 7 coordinates: [ 0.000021210000000, 0.312504890000000, 0.875047695000000 ] mass: 72.640000 reduced_to: 5 - symbol: Ge # 8 coordinates: [ 0.000021210000000, 0.812504890000000, 0.875047695000000 ] mass: 72.640000 reduced_to: 5 - symbol: Ge # 9 coordinates: [ 0.000021210000000, 0.437495110000000, 0.125047695000000 ] mass: 72.640000 reduced_to: 9 - symbol: Ge # 10 coordinates: [ 0.000021210000000, 0.937495110000000, 0.125047695000000 ] mass: 72.640000 reduced_to: 9 - symbol: Ge # 11 coordinates: [ 0.000021210000000, 0.437495110000000, 0.625047695000000 ] mass: 72.640000 reduced_to: 9 - symbol: Ge # 12 coordinates: [ 0.000021210000000, 0.937495110000000, 0.625047695000000 ] mass: 72.640000 reduced_to: 9 - symbol: Ge # 13 coordinates: [ 0.999978790000000, 0.187495110000000, 0.124952305000000 ] mass: 72.640000 reduced_to: 13 - symbol: Ge # 14 coordinates: [ 0.999978790000000, 0.687495110000000, 0.124952305000000 ] mass: 72.640000 reduced_to: 13 - symbol: Ge # 15 coordinates: [ 0.999978790000000, 0.187495110000000, 0.624952305000000 ] mass: 72.640000 reduced_to: 13 - symbol: Ge # 16 coordinates: [ 0.999978790000000, 0.687495110000000, 0.624952305000000 ] mass: 72.640000 reduced_to: 13 - symbol: Ge # 17 coordinates: [ 0.500011900000000, 0.187497675000000, 0.375045640000000 ] mass: 72.640000 reduced_to: 17 - symbol: Ge # 18 coordinates: [ 0.500011900000000, 0.687497675000000, 0.375045640000000 ] mass: 72.640000 reduced_to: 17 - symbol: Ge # 19 coordinates: [ 0.500011900000000, 0.187497675000000, 0.875045640000000 ] mass: 72.640000 reduced_to: 17 - symbol: Ge # 20 coordinates: [ 0.500011900000000, 0.687497675000000, 0.875045640000000 ] mass: 72.640000 reduced_to: 17 - symbol: Ge # 21 coordinates: [ 0.499988100000000, 0.437497675000000, 0.374954360000000 ] mass: 72.640000 reduced_to: 21 - symbol: Ge # 22 coordinates: [ 0.499988100000000, 0.937497675000000, 0.374954360000000 ] mass: 72.640000 reduced_to: 21 - symbol: Ge # 23 coordinates: [ 0.499988100000000, 0.437497675000000, 0.874954360000000 ] mass: 72.640000 reduced_to: 21 - symbol: Ge # 24 coordinates: [ 0.499988100000000, 0.937497675000000, 0.874954360000000 ] mass: 72.640000 reduced_to: 21 - symbol: Ge # 25 coordinates: [ 0.499988100000000, 0.312502325000000, 0.124954360000000 ] mass: 72.640000 reduced_to: 25 - symbol: Ge # 26 coordinates: [ 0.499988100000000, 0.812502325000000, 0.124954360000000 ] mass: 72.640000 reduced_to: 25 - symbol: Ge # 27 coordinates: [ 0.499988100000000, 0.312502325000000, 0.624954360000000 ] mass: 72.640000 reduced_to: 25 - symbol: Ge # 28 coordinates: [ 0.499988100000000, 0.812502325000000, 0.624954360000000 ] mass: 72.640000 reduced_to: 25 - symbol: Ge # 29 coordinates: [ 0.500011900000000, 0.062502325000000, 0.125045640000000 ] mass: 72.640000 reduced_to: 29 - symbol: Ge # 30 coordinates: [ 0.500011900000000, 0.562502325000000, 0.125045640000000 ] mass: 72.640000 reduced_to: 29 - symbol: Ge # 31 coordinates: [ 0.500011900000000, 0.062502325000000, 0.625045640000000 ] mass: 72.640000 reduced_to: 29 - symbol: Ge # 32 coordinates: [ 0.500011900000000, 0.562502325000000, 0.625045640000000 ] mass: 72.640000 reduced_to: 29 - symbol: Br # 33 coordinates: [ 0.623675160000000, 0.062425320000000, 0.312415210000000 ] mass: 79.904000 reduced_to: 33 - symbol: Br # 34 coordinates: [ 0.623675160000000, 0.562425320000000, 0.312415210000000 ] mass: 79.904000 reduced_to: 33 - symbol: Br # 35 coordinates: [ 0.623675160000000, 0.062425320000000, 0.812415210000000 ] mass: 79.904000 reduced_to: 33 - symbol: Br # 36 coordinates: [ 0.623675160000000, 0.562425320000000, 0.812415210000000 ] mass: 79.904000 reduced_to: 33 - symbol: Br # 37 coordinates: [ 0.376324840000000, 0.312425320000000, 0.437584790000000 ] mass: 79.904000 reduced_to: 37 - symbol: Br # 38 coordinates: [ 0.376324840000000, 0.812425320000000, 0.437584790000000 ] mass: 79.904000 reduced_to: 37 - symbol: Br # 39 coordinates: [ 0.376324840000000, 0.312425320000000, 0.937584790000000 ] mass: 79.904000 reduced_to: 37 - symbol: Br # 40 coordinates: [ 0.376324840000000, 0.812425320000000, 0.937584790000000 ] mass: 79.904000 reduced_to: 37 - symbol: Br # 41 coordinates: [ 0.376324840000000, 0.437574680000000, 0.187584790000000 ] mass: 79.904000 reduced_to: 41 - symbol: Br # 42 coordinates: [ 0.376324840000000, 0.937574680000000, 0.187584790000000 ] mass: 79.904000 reduced_to: 41 - symbol: Br # 43 coordinates: [ 0.376324840000000, 0.437574680000000, 0.687584790000000 ] mass: 79.904000 reduced_to: 41 - symbol: Br # 44 coordinates: [ 0.376324840000000, 0.937574680000000, 0.687584790000000 ] mass: 79.904000 reduced_to: 41 - symbol: Br # 45 coordinates: [ 0.623675160000000, 0.187574680000000, 0.062415210000000 ] mass: 79.904000 reduced_to: 45 - symbol: Br # 46 coordinates: [ 0.623675160000000, 0.687574680000000, 0.062415210000000 ] mass: 79.904000 reduced_to: 45 - symbol: Br # 47 coordinates: [ 0.623675160000000, 0.187574680000000, 0.562415210000000 ] mass: 79.904000 reduced_to: 45 - symbol: Br # 48 coordinates: [ 0.623675160000000, 0.687574680000000, 0.562415210000000 ] mass: 79.904000 reduced_to: 45 - symbol: Br # 49 coordinates: [ 0.123622140000000, 0.187424980000000, 0.312293795000000 ] mass: 79.904000 reduced_to: 49 - symbol: Br # 50 coordinates: [ 0.123622140000000, 0.687424980000000, 0.312293795000000 ] mass: 79.904000 reduced_to: 49 - symbol: Br # 51 coordinates: [ 0.123622140000000, 0.187424980000000, 0.812293795000000 ] mass: 79.904000 reduced_to: 49 - symbol: Br # 52 coordinates: [ 0.123622140000000, 0.687424980000000, 0.812293795000000 ] mass: 79.904000 reduced_to: 49 - symbol: Br # 53 coordinates: [ 0.876377860000000, 0.437424980000000, 0.437706205000000 ] mass: 79.904000 reduced_to: 53 - symbol: Br # 54 coordinates: [ 0.876377860000000, 0.937424980000000, 0.437706205000000 ] mass: 79.904000 reduced_to: 53 - symbol: Br # 55 coordinates: [ 0.876377860000000, 0.437424980000000, 0.937706205000000 ] mass: 79.904000 reduced_to: 53 - symbol: Br # 56 coordinates: [ 0.876377860000000, 0.937424980000000, 0.937706205000000 ] mass: 79.904000 reduced_to: 53 - symbol: Br # 57 coordinates: [ 0.876377860000000, 0.312575020000000, 0.187706205000000 ] mass: 79.904000 reduced_to: 57 - symbol: Br # 58 coordinates: [ 0.876377860000000, 0.812575020000000, 0.187706205000000 ] mass: 79.904000 reduced_to: 57 - symbol: Br # 59 coordinates: [ 0.876377860000000, 0.312575020000000, 0.687706205000000 ] mass: 79.904000 reduced_to: 57 - symbol: Br # 60 coordinates: [ 0.876377860000000, 0.812575020000000, 0.687706205000000 ] mass: 79.904000 reduced_to: 57 - symbol: Br # 61 coordinates: [ 0.123622140000000, 0.062575020000000, 0.062293795000000 ] mass: 79.904000 reduced_to: 61 - symbol: Br # 62 coordinates: [ 0.123622140000000, 0.562575020000000, 0.062293795000000 ] mass: 79.904000 reduced_to: 61 - symbol: Br # 63 coordinates: [ 0.123622140000000, 0.062575020000000, 0.562293795000000 ] mass: 79.904000 reduced_to: 61 - symbol: Br # 64 coordinates: [ 0.123622140000000, 0.562575020000000, 0.562293795000000 ] mass: 79.904000 reduced_to: 61 - symbol: Br # 65 coordinates: [ 0.876321440000000, 0.187576800000000, 0.437590350000000 ] mass: 79.904000 reduced_to: 65 - symbol: Br # 66 coordinates: [ 0.876321440000000, 0.687576800000000, 0.437590350000000 ] mass: 79.904000 reduced_to: 65 - symbol: Br # 67 coordinates: [ 0.876321440000000, 0.187576800000000, 0.937590350000000 ] mass: 79.904000 reduced_to: 65 - symbol: Br # 68 coordinates: [ 0.876321440000000, 0.687576800000000, 0.937590350000000 ] mass: 79.904000 reduced_to: 65 - symbol: Br # 69 coordinates: [ 0.123678560000000, 0.437576800000000, 0.312409650000000 ] mass: 79.904000 reduced_to: 69 - symbol: Br # 70 coordinates: [ 0.123678560000000, 0.937576800000000, 0.312409650000000 ] mass: 79.904000 reduced_to: 69 - symbol: Br # 71 coordinates: [ 0.123678560000000, 0.437576800000000, 0.812409650000000 ] mass: 79.904000 reduced_to: 69 - symbol: Br # 72 coordinates: [ 0.123678560000000, 0.937576800000000, 0.812409650000000 ] mass: 79.904000 reduced_to: 69 - symbol: Br # 73 coordinates: [ 0.123678560000000, 0.312423200000000, 0.062409650000000 ] mass: 79.904000 reduced_to: 73 - symbol: Br # 74 coordinates: [ 0.123678560000000, 0.812423200000000, 0.062409650000000 ] mass: 79.904000 reduced_to: 73 - symbol: Br # 75 coordinates: [ 0.123678560000000, 0.312423200000000, 0.562409650000000 ] mass: 79.904000 reduced_to: 73 - symbol: Br # 76 coordinates: [ 0.123678560000000, 0.812423200000000, 0.562409650000000 ] mass: 79.904000 reduced_to: 73 - symbol: Br # 77 coordinates: [ 0.876321440000000, 0.062423200000000, 0.187590350000000 ] mass: 79.904000 reduced_to: 77 - symbol: Br # 78 coordinates: [ 0.876321440000000, 0.562423200000000, 0.187590350000000 ] mass: 79.904000 reduced_to: 77 - symbol: Br # 79 coordinates: [ 0.876321440000000, 0.062423200000000, 0.687590350000000 ] mass: 79.904000 reduced_to: 77 - symbol: Br # 80 coordinates: [ 0.876321440000000, 0.562423200000000, 0.687590350000000 ] mass: 79.904000 reduced_to: 77 - symbol: Br # 81 coordinates: [ 0.376374520000000, 0.062573560000000, 0.437710565000000 ] mass: 79.904000 reduced_to: 81 - symbol: Br # 82 coordinates: [ 0.376374520000000, 0.562573560000000, 0.437710565000000 ] mass: 79.904000 reduced_to: 81 - symbol: Br # 83 coordinates: [ 0.376374520000000, 0.062573560000000, 0.937710565000000 ] mass: 79.904000 reduced_to: 81 - symbol: Br # 84 coordinates: [ 0.376374520000000, 0.562573560000000, 0.937710565000000 ] mass: 79.904000 reduced_to: 81 - symbol: Br # 85 coordinates: [ 0.623625480000000, 0.312573560000000, 0.312289435000000 ] mass: 79.904000 reduced_to: 85 - symbol: Br # 86 coordinates: [ 0.623625480000000, 0.812573560000000, 0.312289435000000 ] mass: 79.904000 reduced_to: 85 - symbol: Br # 87 coordinates: [ 0.623625480000000, 0.312573560000000, 0.812289435000000 ] mass: 79.904000 reduced_to: 85 - symbol: Br # 88 coordinates: [ 0.623625480000000, 0.812573560000000, 0.812289435000000 ] mass: 79.904000 reduced_to: 85 - symbol: Br # 89 coordinates: [ 0.623625480000000, 0.437426440000000, 0.062289435000000 ] mass: 79.904000 reduced_to: 89 - symbol: Br # 90 coordinates: [ 0.623625480000000, 0.937426440000000, 0.062289435000000 ] mass: 79.904000 reduced_to: 89 - symbol: Br # 91 coordinates: [ 0.623625480000000, 0.437426440000000, 0.562289435000000 ] mass: 79.904000 reduced_to: 89 - symbol: Br # 92 coordinates: [ 0.623625480000000, 0.937426440000000, 0.562289435000000 ] mass: 79.904000 reduced_to: 89 - symbol: Br # 93 coordinates: [ 0.376374520000000, 0.187426440000000, 0.187710565000000 ] mass: 79.904000 reduced_to: 93 - symbol: Br # 94 coordinates: [ 0.376374520000000, 0.687426440000000, 0.187710565000000 ] mass: 79.904000 reduced_to: 93 - symbol: Br # 95 coordinates: [ 0.376374520000000, 0.187426440000000, 0.687710565000000 ] mass: 79.904000 reduced_to: 93 - symbol: Br # 96 coordinates: [ 0.376374520000000, 0.687426440000000, 0.687710565000000 ] mass: 79.904000 reduced_to: 93born_effective_charge:- # 1 (Ge) - [ 1.561269710000000, 0.000025990000000, -0.526898330000000 ] - [ 0.000185810000000, 4.304280940000000, 0.001788460000000 ] - [ -0.519434380000000, 0.000024500000000, 4.191341000000000 ]- # 2 (Ge) - [ 1.561269710000000, -0.000025990000000, -0.526898330000000 ] - [ -0.000185810000000, 4.304280940000000, -0.001788460000000 ] - [ -0.519434380000000, -0.000024500000000, 4.191341000000000 ]- # 3 (Ge) - [ 1.561269710000000, 0.000025990000000, -0.526898330000000 ] - [ 0.000185810000000, 4.304280940000000, 0.001788460000000 ] - [ -0.519434380000000, 0.000024500000000, 4.191341000000000 ]- # 4 (Ge) - [ 1.561269710000000, -0.000025990000000, -0.526898330000000 ] - [ -0.000185810000000, 4.304280940000000, -0.001788460000000 ] - [ -0.519434380000000, -0.000024500000000, 4.191341000000000 ]- # 5 (Ge) - [ 1.561267180000000, -0.000075700000000, -0.526902280000000 ] - [ -0.000211590000000, 4.304314570000000, 0.001927200000000 ] - [ -0.519453930000000, -0.000024710000000, 4.191305470000000 ]- # 6 (Ge) - [ 1.561267180000000, 0.000075700000000, -0.526902280000000 ] - [ 0.000211590000000, 4.304314570000000, -0.001927200000000 ] - [ -0.519453930000000, 0.000024710000000, 4.191305470000000 ]- # 7 (Ge) - [ 1.561267180000000, -0.000075700000000, -0.526902280000000 ] - [ -0.000211590000000, 4.304314570000000, 0.001927200000000 ] - [ -0.519453930000000, -0.000024710000000, 4.191305470000000 ]- # 8 (Ge) - [ 1.561267180000000, 0.000075700000000, -0.526902280000000 ] - [ 0.000211590000000, 4.304314570000000, -0.001927200000000 ] - [ -0.519453930000000, 0.000024710000000, 4.191305470000000 ]- # 9 (Br) - [ -0.781126830000000, -0.000751530000000, 0.262934740000000 ] - [ -0.002060680000000, -2.152732460000000, 0.001888310000000 ] - [ 0.259499690000000, 0.001528050000000, -2.094224010000000 ]- # 10 (Br) - [ -0.781126830000000, 0.000751530000000, 0.262934740000000 ] - [ 0.002060680000000, -2.152732460000000, -0.001888310000000 ] - [ 0.259499690000000, -0.001528050000000, -2.094224010000000 ]- # 11 (Br) - [ -0.781126830000000, -0.000751530000000, 0.262934740000000 ] - [ -0.002060680000000, -2.152732460000000, 0.001888310000000 ] - [ 0.259499690000000, 0.001528050000000, -2.094224010000000 ]- # 12 (Br) - [ -0.781126830000000, 0.000751530000000, 0.262934740000000 ] - [ 0.002060680000000, -2.152732460000000, -0.001888310000000 ] - [ 0.259499690000000, -0.001528050000000, -2.094224010000000 ]- # 13 (Br) - [ -0.780199770000000, -0.000783750000000, 0.263963810000000 ] - [ -0.002179130000000, -2.151869680000000, 0.001766180000000 ] - [ 0.260003740000000, 0.001413240000000, -2.096857200000000 ]- # 14 (Br) - [ -0.780199770000000, 0.000783750000000, 0.263963810000000 ] - [ 0.002179130000000, -2.151869680000000, -0.001766180000000 ] - [ 0.260003740000000, -0.001413240000000, -2.096857200000000 ]- # 15 (Br) - [ -0.780199770000000, -0.000783750000000, 0.263963810000000 ] - [ -0.002179130000000, -2.151869680000000, 0.001766180000000 ] - [ 0.260003740000000, 0.001413240000000, -2.096857200000000 ]- # 16 (Br) - [ -0.780199770000000, 0.000783750000000, 0.263963810000000 ] - [ 0.002179130000000, -2.151869680000000, -0.001766180000000 ] - [ 0.260003740000000, -0.001413240000000, -2.096857200000000 ]- # 17 (Br) - [ -0.781053210000000, -0.000668300000000, 0.262928570000000 ] - [ -0.001937860000000, -2.152426790000000, 0.001734800000000 ] - [ 0.259428220000000, 0.001384270000000, -2.094487790000000 ]- # 18 (Br) - [ -0.781053210000000, 0.000668300000000, 0.262928570000000 ] - [ 0.001937860000000, -2.152426790000000, -0.001734800000000 ] - [ 0.259428220000000, -0.001384270000000, -2.094487790000000 ]- # 19 (Br) - [ -0.781053210000000, -0.000668300000000, 0.262928570000000 ] - [ -0.001937860000000, -2.152426790000000, 0.001734800000000 ] - [ 0.259428220000000, 0.001384270000000, -2.094487790000000 ]- # 20 (Br) - [ -0.781053210000000, 0.000668300000000, 0.262928570000000 ] - [ 0.001937860000000, -2.152426790000000, -0.001734800000000 ] - [ 0.259428220000000, -0.001384270000000, -2.094487790000000 ]- # 21 (Br) - [ -0.780157090000000, -0.000793940000000, 0.263973490000000 ] - [ -0.002179110000000, -2.151566590000000, 0.001900950000000 ] - [ 0.259956650000000, 0.001538310000000, -2.097077470000000 ]- # 22 (Br) - [ -0.780157090000000, 0.000793940000000, 0.263973490000000 ] - [ 0.002179110000000, -2.151566590000000, -0.001900950000000 ] - [ 0.259956650000000, -0.001538310000000, -2.097077470000000 ]- # 23 (Br) - [ -0.780157090000000, -0.000793940000000, 0.263973490000000 ] - [ -0.002179110000000, -2.151566590000000, 0.001900950000000 ] - [ 0.259956650000000, 0.001538310000000, -2.097077470000000 ]- # 24 (Br) - [ -0.780157090000000, 0.000793940000000, 0.263973490000000 ] - [ 0.002179110000000, -2.151566590000000, -0.001900950000000 ] - [ 0.259956650000000, -0.001538310000000, -2.097077470000000 ]dielectric_constant: - [ 4.179489380000000, 0.000000000000000, -0.458735130000000 ] - [ 0.000000000000000, 6.588874850000000, 0.000000000000000 ] - [ -0.458727230000000, 0.000000000000000, 6.464082630000000 ]displacements:- atom: 1 displacement: [ 0.0099988104925089, 0.0000000000000000, 0.0001542359714647 ] forces: - [ -0.0331009200000000, -0.0000698400000000, 0.0009830300000000 ] - [ 0.0004321900000000, -0.0000840100000000, 0.0004816400000000 ] - [ 0.0004832700000000, -0.0000851600000000, -0.0005723800000000 ] - [ 0.0004394400000000, -0.0000820800000000, 0.0008259000000000 ] - [ -0.0096263600000000, -0.0000917000000000, 0.0038833400000000 ] - [ -0.0096269200000000, -0.0000837000000000, 0.0038830500000000 ] - [ -0.0001910800000000, -0.0000801400000000, -0.0010095300000000 ] - [ -0.0001905500000000, -0.0000837300000000, -0.0010098000000000 ] - [ -0.0002187300000000, 0.0001632500000000, -0.0004543900000000 ] - [ -0.0064360600000000, 0.0032263900000000, -0.0059307000000000 ] - [ -0.0002186900000000, 0.0000060200000000, -0.0004544700000000 ] - [ -0.0063912800000000, -0.0030370900000000, -0.0059258000000000 ] - [ -0.0058820100000000, -0.0030564800000000, -0.0047673400000000 ] - [ 0.0003217400000000, 0.0000050700000000, 0.0007075000000000 ] - [ -0.0058645200000000, 0.0032086000000000, -0.0047657400000000 ] - [ 0.0003216600000000, 0.0001616900000000, 0.0007096500000000 ] - [ 0.0011975500000000, 0.0000436000000000, -0.0006565300000000 ] - [ 0.0000971900000000, 0.0000381000000000, -0.0006313600000000 ] - [ -0.0001317300000000, 0.0000400400000000, -0.0000361800000000 ] - [ -0.0001908100000000, 0.0000400800000000, -0.0004164500000000 ] - [ 0.0003462000000000, 0.0000391700000000, 0.0002042400000000 ] - [ 0.0014455100000000, 0.0000385900000000, 0.0001783600000000 ] - [ 0.0000578300000000, 0.0000394900000000, 0.0004184800000000 ] - [ 0.0001178600000000, 0.0000382200000000, 0.0007995300000000 ] - [ 0.0004194700000000, 0.0000636500000000, 0.0005281200000000 ] - [ 0.0004193100000000, -0.0001416800000000, 0.0005271000000000 ] - [ 0.0004185800000000, -0.0001456700000000, 0.0005289100000000 ] - [ 0.0004186000000000, 0.0000665600000000, 0.0005291400000000 ] - [ 0.0005791500000000, -0.0000400700000000, 0.0000177500000000 ] - [ -0.0001715500000000, -0.0000397800000000, -0.0004655500000000 ] - [ 0.0005774700000000, -0.0000390900000000, 0.0000243700000000 ] - [ -0.0001699000000000, -0.0000404600000000, -0.0004658400000000 ] - [ 0.0056012600000000, 0.0001566500000000, -0.0066846100000000 ] - [ 0.0062299800000000, 0.0001574000000000, -0.0065534100000000 ] - [ 0.0062490400000000, 0.0001585400000000, -0.0068617200000000 ] - [ 0.0062954700000000, 0.0001581400000000, -0.0066122700000000 ] - [ -0.0066081700000000, 0.0002809000000000, 0.0066367700000000 ] - [ -0.0066092500000000, 0.0000349700000000, 0.0066390300000000 ] - [ -0.0062673000000000, 0.0001685700000000, 0.0065306900000000 ] - [ -0.0062666300000000, 0.0001454400000000, 0.0065318700000000 ] - [ -0.0062842000000000, -0.0001037800000000, 0.0066494000000000 ] - [ -0.0065616800000000, -0.0002144600000000, 0.0065942800000000 ] - [ -0.0063009600000000, -0.0001089500000000, 0.0066678900000000 ] - [ -0.0064385900000000, -0.0002050800000000, 0.0065677500000000 ] - [ 0.0061029800000000, -0.0002042000000000, -0.0066969200000000 ] - [ 0.0062428600000000, -0.0001119700000000, -0.0065936100000000 ] - [ 0.0059797800000000, -0.0002144500000000, -0.0066713000000000 ] - [ 0.0062582500000000, -0.0001064900000000, -0.0066128100000000 ] - [ 0.0173599900000000, 0.0013159000000000, -0.0057637100000000 ] - [ 0.0069123000000000, -0.0008833300000000, -0.0072692400000000 ] - [ 0.0063536400000000, 0.0000168000000000, -0.0047697200000000 ] - [ 0.0058253600000000, 0.0001117300000000, -0.0066316600000000 ] - [ -0.0047354000000000, -0.0008859000000000, 0.0058493200000000 ] - [ 0.0054064200000000, 0.0010279500000000, 0.0074668200000000 ] - [ -0.0058313400000000, 0.0001114200000000, 0.0064928700000000 ] - [ -0.0053022400000000, 0.0000198400000000, 0.0083586000000000 ] - [ -0.0053593100000000, -0.0004400600000000, 0.0065947200000000 ] - [ -0.0053555300000000, 0.0000841200000000, 0.0065962200000000 ] - [ -0.0051028500000000, -0.0008905600000000, 0.0066681200000000 ] - [ -0.0051018100000000, 0.0005320300000000, 0.0066698300000000 ] - [ 0.0062532800000000, -0.0001762500000000, -0.0059769000000000 ] - [ 0.0058652300000000, -0.0001794800000000, -0.0067959400000000 ] - [ 0.0145629700000000, -0.0001850800000000, -0.0042510300000000 ] - [ 0.0058118100000000, -0.0001779600000000, -0.0065209800000000 ] - [ 0.0050916000000000, -0.0010610000000000, 0.0073673600000000 ] - [ -0.0050606800000000, 0.0008617400000000, 0.0057456500000000 ] - [ -0.0056282200000000, -0.0000482800000000, 0.0082575800000000 ] - [ -0.0061563800000000, -0.0001406500000000, 0.0063900700000000 ] - [ 0.0072380400000000, 0.0008591600000000, -0.0071683500000000 ] - [ 0.0176928700000000, -0.0013435100000000, -0.0056563800000000 ] - [ 0.0061486000000000, -0.0001402200000000, -0.0065282300000000 ] - [ 0.0066749000000000, -0.0000457300000000, -0.0046662900000000 ] - [ 0.0068834000000000, 0.0009217500000000, -0.0063523200000000 ] - [ 0.0068845700000000, -0.0005114700000000, -0.0063548900000000 ] - [ 0.0066233800000000, 0.0004683400000000, -0.0064238600000000 ] - [ 0.0066225000000000, -0.0000571000000000, -0.0064240200000000 ] - [ 0.0025173000000000, 0.0002006200000000, 0.0085974300000000 ] - [ -0.0061703300000000, 0.0002051400000000, 0.0064969100000000 ] - [ -0.0057313200000000, 0.0002076300000000, 0.0070416500000000 ] - [ -0.0061161000000000, 0.0002054200000000, 0.0062227100000000 ] - [ -0.0064090500000000, -0.0001431500000000, 0.0063810600000000 ] - [ -0.0057755500000000, -0.0001424700000000, 0.0065175300000000 ] - [ -0.0057556600000000, -0.0001409700000000, 0.0062075300000000 ] - [ -0.0057119300000000, -0.0001420300000000, 0.0064595400000000 ] - [ 0.0053966100000000, -0.0002673000000000, -0.0064297800000000 ] - [ 0.0053994200000000, -0.0000162100000000, -0.0064305400000000 ] - [ 0.0057406200000000, -0.0001570100000000, -0.0065353000000000 ] - [ 0.0057381000000000, -0.0001288100000000, -0.0065384000000000 ] - [ 0.0057078100000000, 0.0000968500000000, -0.0064017500000000 ] - [ 0.0055647300000000, 0.0001880500000000, -0.0065044100000000 ] - [ 0.0057211600000000, 0.0000929900000000, -0.0064234300000000 ] - [ 0.0054442900000000, 0.0001970700000000, -0.0064781100000000 ] - [ -0.0060253400000000, 0.0001982500000000, 0.0064038500000000 ] - [ -0.0057489800000000, 0.0000894800000000, 0.0064566500000000 ] - [ -0.0059020700000000, 0.0001874200000000, 0.0063782200000000 ] - [ -0.0057655400000000, 0.0000958400000000, 0.0064759700000000 ]- atom: 1 displacement: [ -0.0099988104925089, 0.0000000000000000, -0.0001542359714647 ] forces: - [ 0.0336202000000000, -0.0000933500000000, 0.0001616200000000 ] - [ 0.0001077900000000, -0.0000815900000000, 0.0006813200000000 ] - [ 0.0000582000000000, -0.0000818800000000, 0.0017360200000000 ] - [ 0.0001031700000000, -0.0000845900000000, 0.0003375000000000 ] - [ 0.0090908400000000, -0.0000805200000000, -0.0050458600000000 ] - [ 0.0090858300000000, -0.0000747900000000, -0.0050465000000000 ] - [ -0.0003494700000000, -0.0000807000000000, -0.0001522200000000 ] - [ -0.0003479600000000, -0.0000806400000000, -0.0001543300000000 ] - [ -0.0003230300000000, 0.0000012400000000, -0.0007129500000000 ] - [ 0.0058759800000000, -0.0030442400000000, 0.0047777000000000 ] - [ -0.0003225400000000, 0.0001589700000000, -0.0007073400000000 ] - [ 0.0058656100000000, 0.0032227400000000, 0.0047544800000000 ] - [ 0.0064043700000000, 0.0032033800000000, 0.0059390300000000 ] - [ 0.0002218800000000, 0.0001577200000000, 0.0004511100000000 ] - [ 0.0064221300000000, -0.0030606800000000, 0.0059221800000000 ] - [ 0.0002180500000000, 0.0000063000000000, 0.0004574000000000 ] - [ -0.0014435500000000, 0.0000433000000000, -0.0001762400000000 ] - [ -0.0003466500000000, 0.0000420200000000, -0.0002040100000000 ] - [ -0.0001124200000000, 0.0000396900000000, -0.0007966700000000 ] - [ -0.0000588600000000, 0.0000403900000000, -0.0004207000000000 ] - [ -0.0000978900000000, 0.0000389100000000, 0.0006304500000000 ] - [ -0.0011973900000000, 0.0000302900000000, 0.0006534500000000 ] - [ 0.0001887900000000, 0.0000375300000000, 0.0004169500000000 ] - [ 0.0001344600000000, 0.0000409200000000, 0.0000360500000000 ] - [ -0.0001718000000000, -0.0001446600000000, 0.0003063600000000 ] - [ -0.0001680900000000, 0.0000651300000000, 0.0003071400000000 ] - [ -0.0001704100000000, 0.0000629600000000, 0.0003078900000000 ] - [ -0.0001680500000000, -0.0001433700000000, 0.0003085800000000 ] - [ -0.0008296200000000, -0.0000391300000000, -0.0008595200000000 ] - [ -0.0000808600000000, -0.0000382600000000, -0.0003660200000000 ] - [ -0.0008263800000000, -0.0000417000000000, -0.0008517900000000 ] - [ -0.0000792500000000, -0.0000389200000000, -0.0003702000000000 ] - [ 0.0069402800000000, 0.0001582300000000, -0.0065751000000000 ] - [ 0.0063109100000000, 0.0001572300000000, -0.0067100300000000 ] - [ 0.0062870100000000, 0.0001565300000000, -0.0063990300000000 ] - [ 0.0062437800000000, 0.0001594700000000, -0.0066476400000000 ] - [ -0.0059299400000000, 0.0000331100000000, 0.0066252500000000 ] - [ -0.0059315000000000, 0.0002842600000000, 0.0066222500000000 ] - [ -0.0062717000000000, 0.0001441100000000, 0.0067279200000000 ] - [ -0.0062693200000000, 0.0001690200000000, 0.0067275300000000 ] - [ -0.0062548700000000, -0.0002083100000000, 0.0066150800000000 ] - [ -0.0059773400000000, -0.0000988500000000, 0.0066713200000000 ] - [ -0.0062388300000000, -0.0002066300000000, 0.0065938500000000 ] - [ -0.0060986100000000, -0.0001125100000000, 0.0066970100000000 ] - [ 0.0064345400000000, -0.0001123700000000, -0.0065688700000000 ] - [ 0.0062968800000000, -0.0002052900000000, -0.0066698500000000 ] - [ 0.0065568500000000, -0.0000996700000000, -0.0065956600000000 ] - [ 0.0062851500000000, -0.0002090500000000, -0.0066494100000000 ] - [ -0.0054835200000000, -0.0007308300000000, -0.0074538100000000 ] - [ 0.0047426900000000, 0.0012429300000000, -0.0058492500000000 ] - [ 0.0053034200000000, 0.0003417100000000, -0.0083563200000000 ] - [ 0.0058298800000000, 0.0002442000000000, -0.0064916600000000 ] - [ -0.0069170100000000, 0.0012402800000000, 0.0072723400000000 ] - [ -0.0172865700000000, -0.0009010300000000, 0.0057454200000000 ] - [ -0.0058229900000000, 0.0002467700000000, 0.0066351200000000 ] - [ -0.0063538600000000, 0.0003320900000000, 0.0047658300000000 ] - [ -0.0062940700000000, 0.0000847900000000, 0.0065283900000000 ] - [ -0.0062979600000000, -0.0004417600000000, 0.0065296500000000 ] - [ -0.0065528900000000, 0.0005410300000000, 0.0064577900000000 ] - [ -0.0065575300000000, -0.0008962500000000, 0.0064596100000000 ] - [ 0.0054032700000000, -0.0001774000000000, -0.0071395100000000 ] - [ 0.0057883500000000, -0.0001773700000000, -0.0063272000000000 ] - [ -0.0028548600000000, -0.0001702800000000, -0.0087341900000000 ] - [ 0.0058449100000000, -0.0001784600000000, -0.0065999800000000 ] - [ -0.0176229100000000, 0.0008784900000000, 0.0056397400000000 ] - [ -0.0072442200000000, -0.0012721000000000, 0.0071693000000000 ] - [ -0.0066748700000000, -0.0003616300000000, 0.0046664500000000 ] - [ -0.0061454300000000, -0.0002715900000000, 0.0065285700000000 ] - [ 0.0050646000000000, -0.0012755600000000, -0.0057463200000000 ] - [ -0.0051623000000000, 0.0007024000000000, -0.0073512400000000 ] - [ 0.0061582700000000, -0.0002698700000000, -0.0063917300000000 ] - [ 0.0056332400000000, -0.0003705300000000, -0.0082510500000000 ] - [ 0.0054204400000000, -0.0005074100000000, -0.0065649100000000 ] - [ 0.0054255400000000, 0.0009198100000000, -0.0065669100000000 ] - [ 0.0056841800000000, -0.0000536600000000, -0.0064952000000000 ] - [ 0.0056881500000000, 0.0004661800000000, -0.0064956000000000 ] - [ -0.0148702700000000, 0.0002151700000000, 0.0041781100000000 ] - [ -0.0061347400000000, 0.0002051900000000, 0.0064191500000000 ] - [ -0.0065789300000000, 0.0002063700000000, 0.0058730100000000 ] - [ -0.0061877500000000, 0.0002061500000000, 0.0066936700000000 ] - [ -0.0050634100000000, -0.0001426500000000, 0.0064948200000000 ] - [ -0.0056912900000000, -0.0001434800000000, 0.0063624000000000 ] - [ -0.0057049300000000, -0.0001418000000000, 0.0066737500000000 ] - [ -0.0057526000000000, -0.0001402500000000, 0.0064209600000000 ] - [ 0.0060670500000000, -0.0000191500000000, -0.0064472200000000 ] - [ 0.0060651600000000, -0.0002648900000000, -0.0064480200000000 ] - [ 0.0057244200000000, -0.0001295100000000, -0.0063422400000000 ] - [ 0.0057222700000000, -0.0001560100000000, -0.0063404900000000 ] - [ 0.0057638300000000, 0.0001900900000000, -0.0064766800000000 ] - [ 0.0058974700000000, 0.0000968000000000, -0.0063776000000000 ] - [ 0.0057447500000000, 0.0001913300000000, -0.0064595000000000 ] - [ 0.0060180200000000, 0.0000860400000000, -0.0064061100000000 ] - [ -0.0054396600000000, 0.0000827700000000, 0.0064782300000000 ] - [ -0.0057165200000000, 0.0001932100000000, 0.0064230200000000 ] - [ -0.0055623300000000, 0.0000979500000000, 0.0065059000000000 ] - [ -0.0057029000000000, 0.0001899800000000, 0.0064059900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002772700000000, -0.0401158000000000, 0.0005733300000000 ] - [ 0.0002687100000000, 0.0046828900000000, 0.0005768900000000 ] - [ 0.0002684500000000, -0.0031242800000000, 0.0005799000000000 ] - [ 0.0002730700000000, 0.0014856100000000, 0.0005834500000000 ] - [ -0.0002651700000000, 0.0126711000000000, -0.0005809700000000 ] - [ -0.0002652800000000, 0.0125846300000000, -0.0005860700000000 ] - [ -0.0002690600000000, 0.0005483100000000, -0.0005842600000000 ] - [ -0.0002737900000000, 0.0005525800000000, -0.0005802900000000 ] - [ -0.0001729900000000, 0.0024295200000000, -0.0017708300000000 ] - [ 0.0027164500000000, -0.0021159900000000, 0.0081727700000000 ] - [ -0.0003665700000000, 0.0024245900000000, 0.0006122300000000 ] - [ -0.0032523600000000, -0.0021295500000000, -0.0093140800000000 ] - [ -0.0027451400000000, -0.0021574300000000, -0.0081853300000000 ] - [ 0.0001787700000000, 0.0024257300000000, 0.0017603100000000 ] - [ 0.0032803900000000, -0.0021557900000000, 0.0093348400000000 ] - [ 0.0003633500000000, 0.0024301100000000, -0.0006017900000000 ] - [ -0.0001224500000000, -0.0011002600000000, -0.0004150000000000 ] - [ -0.0001251700000000, 0.0011876100000000, -0.0004188600000000 ] - [ -0.0001243500000000, -0.0004503700000000, -0.0004168800000000 ] - [ -0.0001246500000000, 0.0005405900000000, -0.0004172000000000 ] - [ 0.0001250300000000, 0.0011875000000000, 0.0004149700000000 ] - [ 0.0001231300000000, -0.0010993600000000, 0.0004171500000000 ] - [ 0.0001260500000000, 0.0005402600000000, 0.0004190200000000 ] - [ 0.0001263400000000, -0.0004501900000000, 0.0004187200000000 ] - [ 0.0002366800000000, 0.0001542900000000, -0.0001806700000000 ] - [ 0.0000121000000000, 0.0001577300000000, 0.0010148400000000 ] - [ 0.0000117100000000, 0.0001568600000000, 0.0010176500000000 ] - [ 0.0002394800000000, 0.0001568200000000, -0.0001800100000000 ] - [ -0.0001233600000000, -0.0014055900000000, -0.0004192800000000 ] - [ -0.0001245000000000, 0.0008736200000000, -0.0004196700000000 ] - [ -0.0001268500000000, -0.0014029400000000, -0.0004166300000000 ] - [ -0.0001248500000000, 0.0008744600000000, -0.0004178000000000 ] - [ 0.0062715500000000, 0.0007237000000000, -0.0066318500000000 ] - [ 0.0062706700000000, -0.0003810400000000, -0.0066291200000000 ] - [ 0.0062705700000000, 0.0004115300000000, -0.0066306600000000 ] - [ 0.0062702200000000, -0.0001175600000000, -0.0066320500000000 ] - [ -0.0067354700000000, 0.0001123400000000, 0.0065910700000000 ] - [ -0.0058070800000000, 0.0001108300000000, 0.0066710300000000 ] - [ -0.0063738600000000, 0.0001626600000000, 0.0068977200000000 ] - [ -0.0061672300000000, 0.0001633800000000, 0.0063635500000000 ] - [ -0.0064080400000000, -0.0004034100000000, 0.0067567400000000 ] - [ -0.0057990400000000, 0.0001150900000000, 0.0064383200000000 ] - [ -0.0063304200000000, -0.0005052100000000, 0.0066478300000000 ] - [ -0.0062054200000000, 0.0002192800000000, 0.0065517400000000 ] - [ 0.0063340500000000, 0.0002174500000000, -0.0067102900000000 ] - [ 0.0062116800000000, -0.0005025600000000, -0.0066136700000000 ] - [ 0.0067446700000000, 0.0001120200000000, -0.0068231000000000 ] - [ 0.0061330900000000, -0.0004032800000000, -0.0065066400000000 ] - [ 0.0136150600000000, 0.0046329100000000, -0.0047553600000000 ] - [ 0.0063799500000000, -0.0031340800000000, -0.0073842500000000 ] - [ 0.0055701100000000, 0.0008025700000000, -0.0092145900000000 ] - [ 0.0057948600000000, -0.0003986500000000, -0.0061457700000000 ] - [ -0.0052571100000000, -0.0031421600000000, 0.0057215600000000 ] - [ 0.0016712500000000, 0.0042857400000000, 0.0084730400000000 ] - [ -0.0058672700000000, -0.0003941200000000, 0.0069786100000000 ] - [ -0.0060933700000000, 0.0007958400000000, 0.0039084500000000 ] - [ -0.0061592900000000, -0.0008594700000000, 0.0078566100000000 ] - [ -0.0055061500000000, -0.0008533000000000, 0.0052822200000000 ] - [ -0.0062296200000000, -0.0004694300000000, 0.0065358400000000 ] - [ -0.0054352900000000, -0.0004800800000000, 0.0065920100000000 ] - [ 0.0058320100000000, 0.0016622500000000, -0.0065554200000000 ] - [ 0.0058317400000000, -0.0015123800000000, -0.0065616400000000 ] - [ 0.0058134800000000, 0.0050480000000000, -0.0065521800000000 ] - [ 0.0058310800000000, -0.0011975600000000, -0.0065656000000000 ] - [ -0.0139033600000000, 0.0042126200000000, 0.0046461200000000 ] - [ -0.0067147400000000, -0.0035240800000000, 0.0072863600000000 ] - [ -0.0058958200000000, 0.0004117100000000, 0.0091129500000000 ] - [ -0.0061218000000000, -0.0007804600000000, 0.0060413700000000 ] - [ 0.0055878400000000, -0.0035249600000000, -0.0056216100000000 ] - [ -0.0013935900000000, 0.0039434800000000, -0.0083632800000000 ] - [ 0.0061930400000000, -0.0007798400000000, -0.0068792200000000 ] - [ 0.0064155900000000, 0.0004159200000000, -0.0038113100000000 ] - [ 0.0065570400000000, -0.0000836300000000, -0.0064282000000000 ] - [ 0.0057648300000000, -0.0000977400000000, -0.0064889100000000 ] - [ 0.0064807200000000, -0.0004687500000000, -0.0077528700000000 ] - [ 0.0058285000000000, -0.0004728200000000, -0.0051759600000000 ] - [ -0.0061390700000000, 0.0054335400000000, 0.0064521000000000 ] - [ -0.0061549900000000, -0.0008152900000000, 0.0064637100000000 ] - [ -0.0061591300000000, 0.0020453800000000, 0.0064596200000000 ] - [ -0.0061555300000000, -0.0011273800000000, 0.0064549800000000 ] - [ -0.0057352400000000, 0.0004244300000000, 0.0064376900000000 ] - [ -0.0057339700000000, -0.0006802200000000, 0.0064403800000000 ] - [ -0.0057336500000000, 0.0001123700000000, 0.0064409400000000 ] - [ -0.0057336200000000, -0.0004186400000000, 0.0064388000000000 ] - [ 0.0061965500000000, -0.0001889400000000, -0.0063982200000000 ] - [ 0.0052719500000000, -0.0001866100000000, -0.0064809000000000 ] - [ 0.0058372000000000, -0.0001381100000000, -0.0067084800000000 ] - [ 0.0056302000000000, -0.0001362400000000, -0.0061727600000000 ] - [ 0.0057922600000000, -0.0002036800000000, -0.0064576300000000 ] - [ 0.0056675900000000, 0.0005188900000000, -0.0063610900000000 ] - [ 0.0058723700000000, -0.0001029700000000, -0.0065628900000000 ] - [ 0.0052633900000000, 0.0004108100000000, -0.0062477200000000 ] - [ -0.0062092100000000, 0.0004111700000000, 0.0066331200000000 ] - [ -0.0055963500000000, -0.0001029900000000, 0.0063175200000000 ] - [ -0.0057978100000000, 0.0005188300000000, 0.0065190300000000 ] - [ -0.0056730000000000, -0.0002043500000000, 0.0064217700000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002512600000000, 0.0399493600000000, 0.0005840500000000 ] - [ 0.0002710200000000, -0.0048457200000000, 0.0005848900000000 ] - [ 0.0002728700000000, 0.0029598900000000, 0.0005825200000000 ] - [ 0.0002687300000000, -0.0016515900000000, 0.0005805700000000 ] - [ -0.0002747400000000, -0.0127489200000000, -0.0005841400000000 ] - [ -0.0002767100000000, -0.0128382500000000, -0.0005775300000000 ] - [ -0.0002700900000000, -0.0007161400000000, -0.0005798200000000 ] - [ -0.0002687600000000, -0.0007144300000000, -0.0005826700000000 ] - [ -0.0003657200000000, -0.0022634200000000, 0.0006003500000000 ] - [ -0.0032823900000000, 0.0023139900000000, -0.0093481400000000 ] - [ -0.0001772900000000, -0.0022611200000000, -0.0017663300000000 ] - [ 0.0027368600000000, 0.0023275200000000, 0.0081651900000000 ] - [ 0.0032595300000000, 0.0022902300000000, 0.0093317500000000 ] - [ 0.0003681300000000, -0.0022618100000000, -0.0006054400000000 ] - [ -0.0027135600000000, 0.0022894600000000, -0.0081525400000000 ] - [ 0.0001726600000000, -0.0022614500000000, 0.0017717600000000 ] - [ -0.0001237300000000, 0.0011776500000000, -0.0004185600000000 ] - [ -0.0001238400000000, -0.0011075900000000, -0.0004190400000000 ] - [ -0.0001252900000000, 0.0005292800000000, -0.0004186300000000 ] - [ -0.0001248300000000, -0.0004594300000000, -0.0004186600000000 ] - [ 0.0001239700000000, -0.0011071900000000, 0.0004188100000000 ] - [ 0.0001271800000000, 0.0011778400000000, 0.0004187900000000 ] - [ 0.0001246200000000, -0.0004604300000000, 0.0004183500000000 ] - [ 0.0001241800000000, 0.0005292100000000, 0.0004164000000000 ] - [ 0.0000111300000000, -0.0002347000000000, 0.0010148600000000 ] - [ 0.0002378500000000, -0.0002358700000000, -0.0001801300000000 ] - [ 0.0002371300000000, -0.0002364200000000, -0.0001779600000000 ] - [ 0.0000106000000000, -0.0002342500000000, 0.0010167000000000 ] - [ -0.0001240900000000, 0.0013249600000000, -0.0004201100000000 ] - [ -0.0001246700000000, -0.0009506400000000, -0.0004183700000000 ] - [ -0.0001255300000000, 0.0013211900000000, -0.0004165300000000 ] - [ -0.0001243400000000, -0.0009505200000000, -0.0004179300000000 ] - [ 0.0062667200000000, -0.0004063100000000, -0.0066289600000000 ] - [ 0.0062668400000000, 0.0006966700000000, -0.0066311100000000 ] - [ 0.0062663200000000, -0.0000977700000000, -0.0066307100000000 ] - [ 0.0062693300000000, 0.0004335500000000, -0.0066329800000000 ] - [ -0.0058029800000000, 0.0002007400000000, 0.0066702300000000 ] - [ -0.0067320800000000, 0.0002034700000000, 0.0065894600000000 ] - [ -0.0061619100000000, 0.0001517100000000, 0.0063670000000000 ] - [ -0.0063712100000000, 0.0001536800000000, 0.0068985100000000 ] - [ -0.0061273700000000, 0.0000867200000000, 0.0065077800000000 ] - [ -0.0067437300000000, -0.0004283200000000, 0.0068238900000000 ] - [ -0.0062070100000000, 0.0001900700000000, 0.0066127300000000 ] - [ -0.0063316800000000, -0.0005350300000000, 0.0067129500000000 ] - [ 0.0062016000000000, -0.0005327200000000, -0.0065509100000000 ] - [ 0.0063259600000000, 0.0001870500000000, -0.0066485100000000 ] - [ 0.0057961900000000, -0.0004260300000000, -0.0064422900000000 ] - [ 0.0064052600000000, 0.0000850000000000, -0.0067557500000000 ] - [ -0.0017150100000000, -0.0039753100000000, -0.0084680300000000 ] - [ 0.0052687100000000, 0.0034944000000000, -0.0057294600000000 ] - [ 0.0060854000000000, -0.0004455600000000, -0.0039144700000000 ] - [ 0.0058630800000000, 0.0007535900000000, -0.0069818500000000 ] - [ -0.0063882500000000, 0.0034914100000000, 0.0073920800000000 ] - [ -0.0135683500000000, -0.0042280600000000, 0.0047515000000000 ] - [ -0.0057937400000000, 0.0007535900000000, 0.0061442900000000 ] - [ -0.0055629300000000, -0.0004417300000000, 0.0092190500000000 ] - [ -0.0055012700000000, 0.0005010100000000, 0.0052793200000000 ] - [ -0.0061527500000000, 0.0004995900000000, 0.0078499100000000 ] - [ -0.0054335200000000, 0.0001254500000000, 0.0065900900000000 ] - [ -0.0062251300000000, 0.0001099400000000, 0.0065349100000000 ] - [ 0.0058297200000000, -0.0020208000000000, -0.0065621700000000 ] - [ 0.0058263800000000, 0.0011578000000000, -0.0065595900000000 ] - [ 0.0058088900000000, -0.0054056000000000, -0.0065556200000000 ] - [ 0.0058268400000000, 0.0008436300000000, -0.0065604000000000 ] - [ 0.0013540900000000, -0.0043227200000000, 0.0083713200000000 ] - [ -0.0055830800000000, 0.0031153600000000, 0.0056247600000000 ] - [ -0.0064127600000000, -0.0008236100000000, 0.0038092500000000 ] - [ -0.0061876100000000, 0.0003666400000000, 0.0068760000000000 ] - [ 0.0067071300000000, 0.0031052200000000, -0.0072833900000000 ] - [ 0.0139442100000000, -0.0046548900000000, -0.0046568900000000 ] - [ 0.0061172500000000, 0.0003702400000000, -0.0060416300000000 ] - [ 0.0058925700000000, -0.0008310900000000, -0.0091084700000000 ] - [ 0.0057583900000000, 0.0005057700000000, -0.0064921500000000 ] - [ 0.0065509500000000, 0.0005008600000000, -0.0064323300000000 ] - [ 0.0058294300000000, 0.0008801600000000, -0.0051751300000000 ] - [ 0.0064792900000000, 0.0008840500000000, -0.0077483000000000 ] - [ -0.0061341000000000, -0.0050222800000000, 0.0064494500000000 ] - [ -0.0061546400000000, 0.0012278800000000, 0.0064587700000000 ] - [ -0.0061507900000000, -0.0016326600000000, 0.0064533700000000 ] - [ -0.0061544000000000, 0.0015410000000000, 0.0064588000000000 ] - [ -0.0057304200000000, -0.0007059400000000, 0.0064383700000000 ] - [ -0.0057284100000000, 0.0003955600000000, 0.0064406000000000 ] - [ -0.0057296800000000, -0.0003982300000000, 0.0064421700000000 ] - [ -0.0057300400000000, 0.0001338600000000, 0.0064410500000000 ] - [ 0.0052645200000000, -0.0000972100000000, -0.0064813500000000 ] - [ 0.0061933000000000, -0.0000987800000000, -0.0063980700000000 ] - [ 0.0056278500000000, -0.0001461900000000, -0.0061726600000000 ] - [ 0.0058335300000000, -0.0001479500000000, -0.0067067600000000 ] - [ 0.0056698900000000, 0.0004865300000000, -0.0064220600000000 ] - [ 0.0057948200000000, -0.0002333400000000, -0.0065200000000000 ] - [ 0.0055924300000000, 0.0003885400000000, -0.0063173900000000 ] - [ 0.0062048000000000, -0.0001263600000000, -0.0066340100000000 ] - [ -0.0052572900000000, -0.0001280100000000, 0.0062492700000000 ] - [ -0.0058682900000000, 0.0003873400000000, 0.0065648800000000 ] - [ -0.0056636500000000, -0.0002336400000000, 0.0063610100000000 ] - [ -0.0057897200000000, 0.0004873700000000, 0.0064581600000000 ]- atom: 1 displacement: [ -0.0018982353749662, 0.0000000000000000, 0.0098181822381349 ] forces: - [ 0.0075902800000000, -0.0000975900000000, -0.0383676700000000 ] - [ 0.0001527400000000, -0.0000819500000000, -0.0001479200000000 ] - [ -0.0009708300000000, -0.0000839100000000, 0.0052622900000000 ] - [ 0.0004661500000000, -0.0000811900000000, 0.0012972100000000 ] - [ 0.0059734900000000, -0.0000978900000000, -0.0060026200000000 ] - [ 0.0059754100000000, -0.0000691600000000, -0.0060007300000000 ] - [ -0.0007545500000000, -0.0000843000000000, 0.0025786500000000 ] - [ -0.0007539000000000, -0.0000813000000000, 0.0025788100000000 ] - [ -0.0001528300000000, -0.0010965500000000, -0.0006393100000000 ] - [ -0.0044592600000000, 0.0080865900000000, 0.0068778600000000 ] - [ -0.0001571400000000, 0.0012667500000000, -0.0006423000000000 ] - [ -0.0044792200000000, -0.0079561400000000, 0.0068959400000000 ] - [ -0.0039095500000000, -0.0079047900000000, 0.0080415100000000 ] - [ 0.0003860500000000, 0.0012650500000000, 0.0005255600000000 ] - [ -0.0039508600000000, 0.0081379200000000, 0.0080641800000000 ] - [ 0.0003876200000000, -0.0010982900000000, 0.0005211800000000 ] - [ -0.0006004400000000, 0.0000395800000000, -0.0010914000000000 ] - [ -0.0003730600000000, 0.0000412200000000, -0.0006622700000000 ] - [ 0.0002321200000000, 0.0000397900000000, 0.0008437200000000 ] - [ -0.0001143000000000, 0.0000395600000000, -0.0000528700000000 ] - [ -0.0001248400000000, 0.0000405400000000, 0.0001724500000000 ] - [ -0.0003510600000000, 0.0000397100000000, -0.0002543600000000 ] - [ 0.0001339800000000, 0.0000389300000000, 0.0007819600000000 ] - [ 0.0004823500000000, 0.0000400800000000, 0.0016806400000000 ] - [ 0.0001801300000000, -0.0006485300000000, 0.0000669800000000 ] - [ 0.0001827700000000, 0.0005675900000000, 0.0000669700000000 ] - [ 0.0001821100000000, 0.0005680100000000, 0.0000659100000000 ] - [ 0.0001828800000000, -0.0006480900000000, 0.0000650000000000 ] - [ 0.0001731400000000, -0.0000395100000000, -0.0004798900000000 ] - [ -0.0001643600000000, -0.0000388500000000, -0.0003645700000000 ] - [ 0.0001760200000000, -0.0000398200000000, -0.0004835900000000 ] - [ -0.0001632800000000, -0.0000388700000000, -0.0003662100000000 ] - [ 0.0062691000000000, 0.0001581800000000, -0.0064803600000000 ] - [ 0.0062854400000000, 0.0001566600000000, -0.0066002300000000 ] - [ 0.0062454300000000, 0.0001572800000000, -0.0067798900000000 ] - [ 0.0063005600000000, 0.0001572300000000, -0.0067127700000000 ] - [ -0.0060402000000000, 0.0002385700000000, 0.0068425900000000 ] - [ -0.0060372900000000, 0.0000762800000000, 0.0068417400000000 ] - [ -0.0062297300000000, 0.0001624500000000, 0.0065906800000000 ] - [ -0.0062311200000000, 0.0001538800000000, 0.0065908500000000 ] - [ -0.0062776600000000, -0.0000121200000000, 0.0068514300000000 ] - [ -0.0060806700000000, -0.0002455800000000, 0.0068902900000000 ] - [ -0.0062558400000000, -0.0002261100000000, 0.0064643300000000 ] - [ -0.0067317700000000, 0.0000382400000000, 0.0062099500000000 ] - [ 0.0058040500000000, 0.0000366600000000, -0.0070512700000000 ] - [ 0.0062753300000000, -0.0002263200000000, -0.0068011300000000 ] - [ 0.0064519100000000, -0.0002472400000000, -0.0063717600000000 ] - [ 0.0062530800000000, -0.0000127000000000, -0.0064124600000000 ] - [ 0.0005178400000000, 0.0006138900000000, -0.0029377300000000 ] - [ 0.0049878700000000, 0.0009279200000000, -0.0058063200000000 ] - [ 0.0062930500000000, 0.0000889000000000, -0.0088828600000000 ] - [ 0.0059676100000000, -0.0000459600000000, -0.0069920400000000 ] - [ -0.0066722900000000, 0.0009343800000000, 0.0073199500000000 ] - [ -0.0111737600000000, 0.0005444700000000, 0.0102319700000000 ] - [ -0.0056847600000000, -0.0000460800000000, 0.0061279100000000 ] - [ -0.0053614100000000, 0.0000842900000000, 0.0042334600000000 ] - [ -0.0059372700000000, 0.0009239100000000, 0.0073778900000000 ] - [ -0.0059397300000000, -0.0012870700000000, 0.0073776200000000 ] - [ -0.0047482900000000, -0.0027286100000000, 0.0046213000000000 ] - [ -0.0047434200000000, 0.0023746800000000, 0.0046202200000000 ] - [ 0.0061612300000000, -0.0001770800000000, -0.0086825100000000 ] - [ 0.0059528500000000, -0.0001816800000000, -0.0069095400000000 ] - [ 0.0140987800000000, -0.0001838900000000, -0.0007405000000000 ] - [ 0.0057088900000000, -0.0001779500000000, -0.0062203100000000 ] - [ -0.0114980500000000, -0.0005685700000000, 0.0101333600000000 ] - [ -0.0069971300000000, -0.0009621900000000, 0.0072161700000000 ] - [ -0.0056883800000000, -0.0001135200000000, 0.0041334500000000 ] - [ -0.0060095000000000, 0.0000173700000000, 0.0060249800000000 ] - [ 0.0053160300000000, -0.0009572100000000, -0.0057022700000000 ] - [ 0.0008438600000000, -0.0006396400000000, -0.0028323700000000 ] - [ 0.0062957000000000, 0.0000165800000000, -0.0068890100000000 ] - [ 0.0066148700000000, -0.0001177100000000, -0.0087768800000000 ] - [ 0.0072298800000000, 0.0027487100000000, -0.0083960900000000 ] - [ 0.0072239700000000, -0.0023350300000000, -0.0083959100000000 ] - [ 0.0060430100000000, -0.0009070300000000, -0.0056422800000000 ] - [ 0.0060399500000000, 0.0013134400000000, -0.0056424700000000 ] - [ 0.0018946000000000, 0.0002010700000000, 0.0118098000000000 ] - [ -0.0062719000000000, 0.0002072200000000, 0.0067994100000000 ] - [ -0.0058185200000000, 0.0002072400000000, 0.0043343300000000 ] - [ -0.0060299900000000, 0.0002022300000000, 0.0061109600000000 ] - [ -0.0057226000000000, -0.0001414500000000, 0.0065939900000000 ] - [ -0.0057110300000000, -0.0001437100000000, 0.0064726900000000 ] - [ -0.0057502900000000, -0.0001422800000000, 0.0062948600000000 ] - [ -0.0056947400000000, -0.0001429000000000, 0.0063575700000000 ] - [ 0.0059563400000000, -0.0002237300000000, -0.0062298600000000 ] - [ 0.0059543700000000, -0.0000618100000000, -0.0062303000000000 ] - [ 0.0057650200000000, -0.0001431000000000, -0.0064818100000000 ] - [ 0.0057656800000000, -0.0001404700000000, -0.0064806600000000 ] - [ 0.0057419100000000, 0.0002106900000000, -0.0066099900000000 ] - [ 0.0052652000000000, -0.0000517000000000, -0.0068616400000000 ] - [ 0.0057177300000000, -0.0000042000000000, -0.0062207000000000 ] - [ 0.0059145300000000, 0.0002333900000000, -0.0061808900000000 ] - [ -0.0055427900000000, 0.0002308700000000, 0.0067002100000000 ] - [ -0.0057408700000000, -0.0000037400000000, 0.0066594100000000 ] - [ -0.0061927300000000, -0.0000518200000000, 0.0060171700000000 ] - [ -0.0057197100000000, 0.0002089200000000, 0.0062731600000000 ]- atom: 1 displacement: [ 0.0018982353749662, 0.0000000000000000, -0.0098181822381349 ] forces: - [ -0.0070595700000000, -0.0000671300000000, 0.0394907500000000 ] - [ 0.0003860000000000, -0.0000824900000000, 0.0013108900000000 ] - [ 0.0015132900000000, -0.0000807300000000, -0.0040979700000000 ] - [ 0.0000754000000000, -0.0000845900000000, -0.0001343400000000 ] - [ -0.0065161300000000, -0.0001034800000000, 0.0048379400000000 ] - [ -0.0065148500000000, -0.0000625500000000, 0.0048398000000000 ] - [ 0.0002137500000000, -0.0000810000000000, -0.0037418600000000 ] - [ 0.0002134000000000, -0.0000849100000000, -0.0037410400000000 ] - [ -0.0003866900000000, 0.0012666300000000, -0.0005207500000000 ] - [ 0.0039462100000000, -0.0079755600000000, -0.0080658700000000 ] - [ -0.0003851400000000, -0.0011006100000000, -0.0005237300000000 ] - [ 0.0039116200000000, 0.0080694100000000, -0.0080345500000000 ] - [ 0.0044805700000000, 0.0081246600000000, -0.0069027600000000 ] - [ 0.0001572000000000, -0.0011035400000000, 0.0006421400000000 ] - [ 0.0044629700000000, -0.0079196300000000, -0.0068762200000000 ] - [ 0.0001533200000000, 0.0012612300000000, 0.0006397800000000 ] - [ 0.0003499100000000, 0.0000414600000000, 0.0002556000000000 ] - [ 0.0001208900000000, 0.0000391500000000, -0.0001739900000000 ] - [ -0.0004820300000000, 0.0000393200000000, -0.0016788800000000 ] - [ -0.0001343000000000, 0.0000395600000000, -0.0007816200000000 ] - [ 0.0003718300000000, 0.0000391800000000, 0.0006625700000000 ] - [ 0.0006004700000000, 0.0000377500000000, 0.0010912200000000 ] - [ 0.0001148300000000, 0.0000405400000000, 0.0000533500000000 ] - [ -0.0002326100000000, 0.0000403300000000, -0.0008440500000000 ] - [ 0.0000647600000000, 0.0005681900000000, 0.0007708000000000 ] - [ 0.0000641700000000, -0.0006481200000000, 0.0007702100000000 ] - [ 0.0000684200000000, -0.0006468700000000, 0.0007692700000000 ] - [ 0.0000667600000000, 0.0005696500000000, 0.0007685800000000 ] - [ -0.0004238400000000, -0.0000396000000000, -0.0003541100000000 ] - [ -0.0000853400000000, -0.0000401100000000, -0.0004721000000000 ] - [ -0.0004229100000000, -0.0000395500000000, -0.0003546500000000 ] - [ -0.0000852200000000, -0.0000396100000000, -0.0004703800000000 ] - [ 0.0062607600000000, 0.0001580700000000, -0.0067856900000000 ] - [ 0.0062477900000000, 0.0001577900000000, -0.0066609200000000 ] - [ 0.0062874600000000, 0.0001576500000000, -0.0064830100000000 ] - [ 0.0062290100000000, 0.0001570600000000, -0.0065520500000000 ] - [ -0.0064895100000000, 0.0000772500000000, 0.0064209600000000 ] - [ -0.0064884000000000, 0.0002388100000000, 0.0064224000000000 ] - [ -0.0062995300000000, 0.0001535900000000, 0.0066736900000000 ] - [ -0.0063013900000000, 0.0001610000000000, 0.0066743500000000 ] - [ -0.0062506100000000, -0.0003037100000000, 0.0064143100000000 ] - [ -0.0064498000000000, -0.0000680700000000, 0.0063707900000000 ] - [ -0.0062749200000000, -0.0000874200000000, 0.0067997100000000 ] - [ -0.0058011900000000, -0.0003524500000000, 0.0070550000000000 ] - [ 0.0067294800000000, -0.0003540600000000, -0.0062107300000000 ] - [ 0.0062533000000000, -0.0000888000000000, -0.0064628000000000 ] - [ 0.0060796700000000, -0.0000670900000000, -0.0068910900000000 ] - [ 0.0062800200000000, -0.0003051200000000, -0.0068509500000000 ] - [ 0.0112034800000000, -0.0001604600000000, -0.0102502000000000 ] - [ 0.0066657200000000, -0.0005781700000000, -0.0073203000000000 ] - [ 0.0053618000000000, 0.0002691900000000, -0.0042317000000000 ] - [ 0.0056860800000000, 0.0004030800000000, -0.0061290200000000 ] - [ -0.0049869900000000, -0.0005722000000000, 0.0058059200000000 ] - [ -0.0005461000000000, -0.0002872900000000, 0.0029608300000000 ] - [ -0.0059715600000000, 0.0004004800000000, 0.0069928200000000 ] - [ -0.0062918700000000, 0.0002697100000000, 0.0088823400000000 ] - [ -0.0057185100000000, -0.0012829100000000, 0.0057447100000000 ] - [ -0.0057182000000000, 0.0009331900000000, 0.0057447400000000 ] - [ -0.0069007800000000, 0.0023646300000000, 0.0085012700000000 ] - [ -0.0069049700000000, -0.0027200200000000, 0.0085010700000000 ] - [ 0.0054975400000000, -0.0001789600000000, -0.0044352200000000 ] - [ 0.0057033900000000, -0.0001746500000000, -0.0062121300000000 ] - [ -0.0022364100000000, -0.0001743500000000, -0.0118997700000000 ] - [ 0.0059477900000000, -0.0001789400000000, -0.0068995800000000 ] - [ -0.0008711700000000, 0.0002554400000000, 0.0028507800000000 ] - [ -0.0053120400000000, 0.0005435500000000, 0.0057040300000000 ] - [ -0.0066164500000000, -0.0002957500000000, 0.0087771200000000 ] - [ -0.0062942000000000, -0.0004286800000000, 0.0068905400000000 ] - [ 0.0069918000000000, 0.0005497300000000, -0.0072162600000000 ] - [ 0.0115251100000000, 0.0001320200000000, -0.0101499700000000 ] - [ 0.0060101500000000, -0.0004305000000000, -0.0060258900000000 ] - [ 0.0056883000000000, -0.0002963000000000, -0.0041334100000000 ] - [ 0.0050669000000000, -0.0023477000000000, -0.0045196900000000 ] - [ 0.0050748100000000, 0.0027581300000000, -0.0045208300000000 ] - [ 0.0062629300000000, 0.0013169400000000, -0.0072734400000000 ] - [ 0.0062617500000000, -0.0008963400000000, -0.0072719900000000 ] - [ -0.0144135300000000, 0.0002118700000000, 0.0006242100000000 ] - [ -0.0060326900000000, 0.0002051100000000, 0.0061181400000000 ] - [ -0.0064871600000000, 0.0002032200000000, 0.0085774400000000 ] - [ -0.0062796200000000, 0.0002088100000000, 0.0068038600000000 ] - [ -0.0057320500000000, -0.0001422100000000, 0.0062875800000000 ] - [ -0.0057437200000000, -0.0001417100000000, 0.0064117100000000 ] - [ -0.0057064300000000, -0.0001430400000000, 0.0065909200000000 ] - [ -0.0057624400000000, -0.0001409600000000, 0.0065228100000000 ] - [ 0.0055034700000000, -0.0000614300000000, -0.0066498200000000 ] - [ 0.0055041600000000, -0.0002223700000000, -0.0066502700000000 ] - [ 0.0056949100000000, -0.0001396300000000, -0.0063990700000000 ] - [ 0.0056910200000000, -0.0001444500000000, -0.0063999900000000 ] - [ 0.0057182100000000, 0.0000732100000000, -0.0062714400000000 ] - [ 0.0061921700000000, 0.0003387600000000, -0.0060190300000000 ] - [ 0.0057415000000000, 0.0002893600000000, -0.0066598600000000 ] - [ 0.0055420100000000, 0.0000513900000000, -0.0067000100000000 ] - [ -0.0059107300000000, 0.0000515000000000, 0.0061813400000000 ] - [ -0.0057135900000000, 0.0002893900000000, 0.0062222500000000 ] - [ -0.0052640800000000, 0.0003361300000000, 0.0068647800000000 ] - [ -0.0057389600000000, 0.0000726900000000, 0.0066096500000000 ]- atom: 17 displacement: [ 0.0099988104925089, 0.0000000000000000, 0.0001542359714647 ] forces: - [ 0.0015900100000000, -0.0000870400000000, 0.0003414100000000 ] - [ 0.0004916300000000, -0.0000842000000000, 0.0003671000000000 ] - [ 0.0002634700000000, -0.0000829000000000, 0.0009630600000000 ] - [ 0.0002037400000000, -0.0000833100000000, 0.0005840200000000 ] - [ 0.0010496800000000, -0.0000764200000000, -0.0008214400000000 ] - [ -0.0000490300000000, -0.0000823800000000, -0.0007954400000000 ] - [ -0.0002774200000000, -0.0000825800000000, -0.0001999400000000 ] - [ -0.0003362700000000, -0.0000822400000000, -0.0005798700000000 ] - [ 0.0000248300000000, 0.0001864500000000, -0.0004725400000000 ] - [ 0.0000244600000000, -0.0000205000000000, -0.0004713400000000 ] - [ 0.0000236400000000, -0.0000216200000000, -0.0004711400000000 ] - [ 0.0000237300000000, 0.0001873800000000, -0.0004716100000000 ] - [ 0.0009704900000000, 0.0000827000000000, 0.0010175200000000 ] - [ 0.0002241100000000, 0.0000823900000000, 0.0005334000000000 ] - [ 0.0009731400000000, 0.0000826300000000, 0.0010239500000000 ] - [ 0.0002242100000000, 0.0000832500000000, 0.0005334500000000 ] - [ -0.0334786900000000, 0.0000587600000000, 0.0000027000000000 ] - [ 0.0000369900000000, 0.0000377600000000, -0.0005182800000000 ] - [ 0.0000882600000000, 0.0000370200000000, -0.0015721800000000 ] - [ 0.0000442500000000, 0.0000400400000000, -0.0001742000000000 ] - [ -0.0092331000000000, 0.0000299300000000, 0.0048831500000000 ] - [ -0.0092333500000000, 0.0000354600000000, 0.0048833300000000 ] - [ 0.0002044900000000, 0.0000391700000000, -0.0000104600000000 ] - [ 0.0002042200000000, 0.0000425700000000, -0.0000108600000000 ] - [ -0.0060147500000000, -0.0031775100000000, -0.0049189400000000 ] - [ 0.0001766300000000, -0.0001163700000000, 0.0005405600000000 ] - [ -0.0060229300000000, 0.0030863100000000, -0.0049411500000000 ] - [ 0.0001749300000000, 0.0000407700000000, 0.0005488200000000 ] - [ -0.0062767500000000, 0.0031050700000000, -0.0057564900000000 ] - [ -0.0000727200000000, 0.0000384500000000, -0.0002930100000000 ] - [ -0.0062597200000000, -0.0031597600000000, -0.0057758900000000 ] - [ -0.0000725900000000, -0.0001181700000000, -0.0002882600000000 ] - [ 0.0177293400000000, -0.0009229300000000, -0.0058159000000000 ] - [ 0.0073546600000000, 0.0012227800000000, -0.0073443200000000 ] - [ 0.0067848900000000, 0.0003150700000000, -0.0048376700000000 ] - [ 0.0062581700000000, 0.0002210200000000, -0.0067042500000000 ] - [ 0.0050573600000000, -0.0007517600000000, 0.0075272300000000 ] - [ -0.0051760800000000, 0.0012257500000000, 0.0059194700000000 ] - [ -0.0057387500000000, 0.0003182600000000, 0.0084234400000000 ] - [ -0.0062689000000000, 0.0002237700000000, 0.0065640300000000 ] - [ -0.0057941900000000, -0.0004174100000000, 0.0066701500000000 ] - [ -0.0057955500000000, 0.0001037700000000, 0.0066681100000000 ] - [ -0.0055331300000000, -0.0008725200000000, 0.0067381500000000 ] - [ -0.0055311600000000, 0.0005544800000000, 0.0067414800000000 ] - [ 0.0066868400000000, -0.0001566900000000, -0.0060506800000000 ] - [ 0.0063014000000000, -0.0001596700000000, -0.0068650200000000 ] - [ 0.0149785200000000, -0.0001627900000000, -0.0043542300000000 ] - [ 0.0062458600000000, -0.0001588300000000, -0.0065935500000000 ] - [ 0.0051602800000000, 0.0001778300000000, -0.0066168300000000 ] - [ 0.0057864600000000, 0.0001775000000000, -0.0064849500000000 ] - [ 0.0058014800000000, 0.0001778400000000, -0.0067939600000000 ] - [ 0.0058497300000000, 0.0001754300000000, -0.0065424400000000 ] - [ -0.0061621200000000, 0.0003012000000000, 0.0065694900000000 ] - [ -0.0061608700000000, 0.0000539100000000, 0.0065715800000000 ] - [ -0.0058201700000000, 0.0001938900000000, 0.0064606800000000 ] - [ -0.0058212800000000, 0.0001654100000000, 0.0064636300000000 ] - [ -0.0061154500000000, -0.0001221500000000, 0.0065255900000000 ] - [ -0.0058387800000000, -0.0002314700000000, 0.0065783400000000 ] - [ -0.0059961700000000, -0.0001303700000000, 0.0064986100000000 ] - [ -0.0058559200000000, -0.0002253000000000, 0.0065976400000000 ] - [ 0.0056588100000000, -0.0001335900000000, -0.0066251000000000 ] - [ 0.0057932700000000, -0.0002233700000000, -0.0065277500000000 ] - [ 0.0055363200000000, -0.0001225200000000, -0.0065982500000000 ] - [ 0.0058134800000000, -0.0002288200000000, -0.0065433700000000 ] - [ -0.0068254700000000, -0.0002044700000000, 0.0064013900000000 ] - [ -0.0061940900000000, -0.0002071000000000, 0.0065362900000000 ] - [ -0.0061749600000000, -0.0002051000000000, 0.0062263400000000 ] - [ -0.0061267000000000, -0.0002101000000000, 0.0064774300000000 ] - [ 0.0058131200000000, -0.0003308500000000, -0.0064494300000000 ] - [ 0.0058158800000000, -0.0000813600000000, -0.0064529000000000 ] - [ 0.0061527100000000, -0.0002164900000000, -0.0065574100000000 ] - [ 0.0061565100000000, -0.0001933200000000, -0.0065575900000000 ] - [ 0.0059801000000000, 0.0001599900000000, -0.0065231800000000 ] - [ 0.0061208700000000, 0.0002530100000000, -0.0064214300000000 ] - [ 0.0058596300000000, 0.0001505800000000, -0.0064982000000000 ] - [ 0.0061381800000000, 0.0002568500000000, -0.0064398000000000 ] - [ -0.0064379800000000, 0.0001504400000000, 0.0064203300000000 ] - [ -0.0061649200000000, 0.0002590800000000, 0.0064762100000000 ] - [ -0.0063204000000000, 0.0001596300000000, 0.0063955900000000 ] - [ -0.0061815100000000, 0.0002521600000000, 0.0064981200000000 ] - [ 0.0055840600000000, 0.0007669300000000, 0.0073327300000000 ] - [ -0.0046414300000000, -0.0012074400000000, 0.0057306500000000 ] - [ -0.0051989900000000, -0.0003031000000000, 0.0082347700000000 ] - [ -0.0057308900000000, -0.0002093700000000, 0.0063721400000000 ] - [ 0.0171826400000000, 0.0009348300000000, -0.0056240600000000 ] - [ 0.0068174100000000, -0.0012042800000000, -0.0071508900000000 ] - [ 0.0062513600000000, -0.0002991000000000, -0.0046481600000000 ] - [ 0.0057226300000000, -0.0002079600000000, -0.0065128300000000 ] - [ 0.0064562700000000, 0.0008596900000000, -0.0063371900000000 ] - [ 0.0064519100000000, -0.0005752700000000, -0.0063387100000000 ] - [ 0.0061943800000000, 0.0004029600000000, -0.0064073400000000 ] - [ 0.0061956400000000, -0.0001201700000000, -0.0064072100000000 ] - [ 0.0029589800000000, 0.0001337000000000, 0.0086155100000000 ] - [ -0.0057435400000000, 0.0001414300000000, 0.0064809000000000 ] - [ -0.0052982500000000, 0.0001450700000000, 0.0070247000000000 ] - [ -0.0056911700000000, 0.0001402700000000, 0.0062044100000000 ]- atom: 17 displacement: [ -0.0099988104925089, 0.0000000000000000, -0.0001542359714647 ] forces: - [ -0.0010487800000000, -0.0000872200000000, 0.0008213900000000 ] - [ 0.0000479700000000, -0.0000831700000000, 0.0007946800000000 ] - [ 0.0002765300000000, -0.0000834100000000, 0.0001992900000000 ] - [ 0.0003366200000000, -0.0000843200000000, 0.0005799200000000 ] - [ -0.0015904900000000, -0.0000804300000000, -0.0003421300000000 ] - [ -0.0004904600000000, -0.0000826300000000, -0.0003682000000000 ] - [ -0.0002631200000000, -0.0000820600000000, -0.0009631400000000 ] - [ -0.0002048200000000, -0.0000813000000000, -0.0005833500000000 ] - [ -0.0005642200000000, -0.0000219100000000, -0.0006920800000000 ] - [ -0.0005630600000000, 0.0001867300000000, -0.0006928300000000 ] - [ -0.0005652000000000, 0.0001853000000000, -0.0006917900000000 ] - [ -0.0005670700000000, -0.0000205800000000, -0.0006909100000000 ] - [ -0.0004321800000000, 0.0000833900000000, 0.0001385800000000 ] - [ 0.0003165900000000, 0.0000828200000000, 0.0006284200000000 ] - [ -0.0004319100000000, 0.0000829200000000, 0.0001463700000000 ] - [ 0.0003158600000000, 0.0000833400000000, 0.0006298900000000 ] - [ 0.0332466300000000, 0.0000213400000000, -0.0008200500000000 ] - [ -0.0002869500000000, 0.0000413800000000, -0.0003175500000000 ] - [ -0.0003365200000000, 0.0000416800000000, 0.0007363400000000 ] - [ -0.0002927400000000, 0.0000395900000000, -0.0006609200000000 ] - [ 0.0094805900000000, 0.0000414000000000, -0.0040475400000000 ] - [ 0.0094800400000000, 0.0000519500000000, -0.0040476800000000 ] - [ 0.0000446700000000, 0.0000407400000000, 0.0008450700000000 ] - [ 0.0000457600000000, 0.0000358200000000, 0.0008463200000000 ] - [ 0.0062465500000000, 0.0030810000000000, 0.0057623000000000 ] - [ 0.0000713400000000, 0.0000368400000000, 0.0002904200000000 ] - [ 0.0062886900000000, -0.0031847000000000, 0.0057672700000000 ] - [ 0.0000741700000000, -0.0001192700000000, 0.0002897100000000 ] - [ 0.0060117800000000, -0.0031669800000000, 0.0049293200000000 ] - [ -0.0001757000000000, -0.0001180400000000, -0.0005474400000000 ] - [ 0.0060283900000000, 0.0031001800000000, 0.0049311900000000 ] - [ -0.0001751500000000, 0.0000383100000000, -0.0005433500000000 ] - [ -0.0049766500000000, 0.0010098600000000, -0.0075390800000000 ] - [ 0.0051737100000000, -0.0009104300000000, -0.0059180500000000 ] - [ 0.0057434700000000, -0.0000016600000000, -0.0084292700000000 ] - [ 0.0062722300000000, 0.0000913900000000, -0.0065627900000000 ] - [ -0.0178067900000000, 0.0012984400000000, 0.0058320500000000 ] - [ -0.0073518700000000, -0.0009078500000000, 0.0073415400000000 ] - [ -0.0067909200000000, -0.0000017800000000, 0.0048401900000000 ] - [ -0.0062619700000000, 0.0000936900000000, 0.0067006100000000 ] - [ -0.0067355700000000, 0.0001056100000000, 0.0065980900000000 ] - [ -0.0067371200000000, -0.0004201200000000, 0.0065976100000000 ] - [ -0.0069939200000000, 0.0005586100000000, 0.0065284300000000 ] - [ -0.0070023000000000, -0.0008726100000000, 0.0065264400000000 ] - [ 0.0058449200000000, -0.0001591300000000, -0.0072141300000000 ] - [ 0.0062291300000000, -0.0001579700000000, -0.0063960500000000 ] - [ -0.0024018700000000, -0.0001497900000000, -0.0087675400000000 ] - [ 0.0062854700000000, -0.0001572900000000, -0.0066708000000000 ] - [ 0.0065030400000000, 0.0001785500000000, -0.0065041900000000 ] - [ 0.0058710800000000, 0.0001779800000000, -0.0066374100000000 ] - [ 0.0058513300000000, 0.0001774900000000, -0.0063313900000000 ] - [ 0.0058066400000000, 0.0001775100000000, -0.0065805500000000 ] - [ -0.0054913200000000, 0.0000539000000000, 0.0065553400000000 ] - [ -0.0054945900000000, 0.0003026500000000, 0.0065539800000000 ] - [ -0.0058314800000000, 0.0001661600000000, 0.0066594500000000 ] - [ -0.0058331600000000, 0.0001920500000000, 0.0066603400000000 ] - [ -0.0055373100000000, -0.0002344800000000, 0.0065982100000000 ] - [ -0.0058165000000000, -0.0001253800000000, 0.0065434200000000 ] - [ -0.0056599100000000, -0.0002228800000000, 0.0066230400000000 ] - [ -0.0057967000000000, -0.0001306600000000, 0.0065228700000000 ] - [ 0.0059974500000000, -0.0002249200000000, -0.0064965700000000 ] - [ 0.0058586000000000, -0.0001323600000000, -0.0065986100000000 ] - [ 0.0061172900000000, -0.0002344900000000, -0.0065236600000000 ] - [ 0.0058423500000000, -0.0001275600000000, -0.0065780500000000 ] - [ -0.0054862000000000, -0.0002056100000000, 0.0065146800000000 ] - [ -0.0061137300000000, -0.0002065800000000, 0.0063813300000000 ] - [ -0.0061309600000000, -0.0002074300000000, 0.0066913800000000 ] - [ -0.0061794600000000, -0.0002068400000000, 0.0064383900000000 ] - [ 0.0064891500000000, -0.0000828100000000, -0.0064672200000000 ] - [ 0.0064875900000000, -0.0003291000000000, -0.0064667800000000 ] - [ 0.0061478900000000, -0.0001924400000000, -0.0063609500000000 ] - [ 0.0061504400000000, -0.0002187300000000, -0.0063611200000000 ] - [ 0.0063229200000000, 0.0002524400000000, -0.0063936300000000 ] - [ 0.0061816700000000, 0.0001610300000000, -0.0064948600000000 ] - [ 0.0064409800000000, 0.0002627600000000, -0.0064203700000000 ] - [ 0.0061679800000000, 0.0001552700000000, -0.0064752400000000 ] - [ -0.0058645200000000, 0.0002621700000000, 0.0064952400000000 ] - [ -0.0061396400000000, 0.0001538500000000, 0.0064415500000000 ] - [ -0.0059831100000000, 0.0002514600000000, 0.0065212500000000 ] - [ -0.0061224100000000, 0.0001582600000000, 0.0064209800000000 ] - [ -0.0172630100000000, -0.0012806100000000, 0.0056414100000000 ] - [ -0.0068132700000000, 0.0009186000000000, 0.0071483900000000 ] - [ -0.0062585000000000, 0.0000175900000000, 0.0046473700000000 ] - [ -0.0057253600000000, -0.0000767900000000, 0.0065119200000000 ] - [ -0.0055039000000000, -0.0009899700000000, -0.0073462100000000 ] - [ 0.0046406000000000, 0.0009210800000000, -0.0057269900000000 ] - [ 0.0052023900000000, 0.0000174300000000, -0.0082400900000000 ] - [ 0.0057323700000000, -0.0000745700000000, -0.0063706600000000 ] - [ 0.0050007900000000, -0.0005673900000000, -0.0065492300000000 ] - [ 0.0050065600000000, 0.0008550300000000, -0.0065483800000000 ] - [ 0.0052605800000000, -0.0001205900000000, -0.0064747000000000 ] - [ 0.0052617600000000, 0.0004043400000000, -0.0064744100000000 ] - [ -0.0144726300000000, 0.0001502900000000, 0.0041269800000000 ] - [ -0.0057110700000000, 0.0001416500000000, 0.0064006700000000 ] - [ -0.0061557400000000, 0.0001415000000000, 0.0058538700000000 ] - [ -0.0057707700000000, 0.0001434300000000, 0.0066744600000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002701900000000, -0.0012199300000000, 0.0005826100000000 ] - [ 0.0002692700000000, 0.0010649300000000, 0.0005830300000000 ] - [ 0.0002695200000000, -0.0005728200000000, 0.0005823400000000 ] - [ 0.0002699600000000, 0.0004162900000000, 0.0005820400000000 ] - [ -0.0002729300000000, -0.0012210700000000, -0.0005818900000000 ] - [ -0.0002699900000000, 0.0010631100000000, -0.0005822300000000 ] - [ -0.0002704600000000, -0.0005719700000000, -0.0005819600000000 ] - [ -0.0002707900000000, 0.0004175100000000, -0.0005813500000000 ] - [ -0.0001565900000000, 0.0002780100000000, -0.0011811100000000 ] - [ -0.0003836100000000, 0.0002793300000000, 0.0000158600000000 ] - [ -0.0003846800000000, 0.0002787300000000, 0.0000169200000000 ] - [ -0.0001592200000000, 0.0002783900000000, -0.0011803000000000 ] - [ 0.0002717600000000, -0.0012794000000000, 0.0005815200000000 ] - [ 0.0002697400000000, 0.0009939100000000, 0.0005817000000000 ] - [ 0.0002693200000000, -0.0012806500000000, 0.0005835100000000 ] - [ 0.0002710700000000, 0.0009938400000000, 0.0005813800000000 ] - [ -0.0001013500000000, -0.0399942400000000, -0.0004257100000000 ] - [ -0.0001261400000000, 0.0048008600000000, -0.0004200800000000 ] - [ -0.0001271500000000, -0.0030019500000000, -0.0004177100000000 ] - [ -0.0001212400000000, 0.0016056200000000, -0.0004133300000000 ] - [ 0.0001334600000000, 0.0127966000000000, 0.0004120200000000 ] - [ 0.0001312200000000, 0.0127088600000000, 0.0004174000000000 ] - [ 0.0001232800000000, 0.0006713300000000, 0.0004193800000000 ] - [ 0.0001265600000000, 0.0006738200000000, 0.0004163300000000 ] - [ -0.0028824300000000, -0.0022831800000000, -0.0083289600000000 ] - [ 0.0000322200000000, 0.0023021000000000, 0.0016008700000000 ] - [ 0.0031390300000000, -0.0022717900000000, 0.0091864800000000 ] - [ 0.0002201200000000, 0.0023053900000000, -0.0007646800000000 ] - [ 0.0028600100000000, -0.0022472500000000, 0.0083179000000000 ] - [ -0.0000276700000000, 0.0023038100000000, -0.0016094300000000 ] - [ -0.0031129500000000, -0.0022455200000000, -0.0091688700000000 ] - [ -0.0002230200000000, 0.0023049300000000, 0.0007696800000000 ] - [ -0.0012385800000000, 0.0042714800000000, -0.0085434300000000 ] - [ 0.0057019200000000, -0.0031648800000000, -0.0057937500000000 ] - [ 0.0065302000000000, 0.0007765800000000, -0.0039811900000000 ] - [ 0.0063070200000000, -0.0004147900000000, -0.0070511000000000 ] - [ -0.0140680000000000, 0.0046124200000000, 0.0048325900000000 ] - [ -0.0068262800000000, -0.0031557700000000, 0.0074562500000000 ] - [ -0.0060100600000000, 0.0007806100000000, 0.0092797100000000 ] - [ -0.0062373400000000, -0.0004182300000000, 0.0062142000000000 ] - [ -0.0066008000000000, -0.0008358100000000, 0.0079221000000000 ] - [ -0.0059472500000000, -0.0008306600000000, 0.0053482100000000 ] - [ -0.0066671400000000, -0.0004516000000000, 0.0066015500000000 ] - [ -0.0058758700000000, -0.0004582500000000, 0.0066648600000000 ] - [ 0.0062701800000000, 0.0016803200000000, -0.0066286700000000 ] - [ 0.0062735500000000, -0.0014918100000000, -0.0066319300000000 ] - [ 0.0062519700000000, 0.0050715700000000, -0.0066196000000000 ] - [ 0.0062714000000000, -0.0011808600000000, -0.0066309900000000 ] - [ 0.0058315900000000, 0.0007431700000000, -0.0065642000000000 ] - [ 0.0058314000000000, -0.0003602100000000, -0.0065616000000000 ] - [ 0.0058313200000000, 0.0004332300000000, -0.0065614000000000 ] - [ 0.0058295800000000, -0.0000937900000000, -0.0065588700000000 ] - [ -0.0062950800000000, 0.0001343000000000, 0.0065204100000000 ] - [ -0.0053679300000000, 0.0001321300000000, 0.0066035100000000 ] - [ -0.0059341600000000, 0.0001831100000000, 0.0068289800000000 ] - [ -0.0057255700000000, 0.0001794300000000, 0.0062915300000000 ] - [ -0.0063027800000000, 0.0000879700000000, 0.0067519700000000 ] - [ -0.0056938400000000, -0.0004255200000000, 0.0064365300000000 ] - [ -0.0058966700000000, 0.0001982700000000, 0.0066409800000000 ] - [ -0.0057700500000000, -0.0005214500000000, 0.0065475900000000 ] - [ 0.0057638000000000, 0.0002005000000000, -0.0064798600000000 ] - [ 0.0058895200000000, -0.0005223400000000, -0.0065770700000000 ] - [ 0.0053586000000000, 0.0000906500000000, -0.0063676000000000 ] - [ 0.0059712800000000, -0.0004224600000000, -0.0066847600000000 ] - [ -0.0061579100000000, 0.0003598100000000, 0.0064557900000000 ] - [ -0.0061565900000000, -0.0007453300000000, 0.0064574800000000 ] - [ -0.0061557700000000, 0.0000491800000000, 0.0064609600000000 ] - [ -0.0061536000000000, -0.0004780600000000, 0.0064581000000000 ] - [ 0.0066221100000000, -0.0002516400000000, -0.0064175600000000 ] - [ 0.0056958400000000, -0.0002512700000000, -0.0064976800000000 ] - [ 0.0062605600000000, -0.0002015300000000, -0.0067256400000000 ] - [ 0.0060501800000000, -0.0002041400000000, -0.0061907800000000 ] - [ 0.0062161300000000, 0.0005811800000000, -0.0065369800000000 ] - [ 0.0060952700000000, -0.0001420200000000, -0.0064448400000000 ] - [ 0.0066329200000000, 0.0004772100000000, -0.0066509200000000 ] - [ 0.0060189800000000, -0.0000385900000000, -0.0063336300000000 ] - [ -0.0056845100000000, 0.0004795200000000, 0.0062643100000000 ] - [ -0.0062927500000000, -0.0000374800000000, 0.0065805300000000 ] - [ -0.0060913700000000, 0.0005813000000000, 0.0063772700000000 ] - [ -0.0062179100000000, -0.0001402900000000, 0.0064741800000000 ] - [ 0.0018101000000000, 0.0040097400000000, 0.0083475200000000 ] - [ -0.0051745400000000, -0.0034562900000000, 0.0056099900000000 ] - [ -0.0059921900000000, 0.0004821900000000, 0.0037922500000000 ] - [ -0.0057718100000000, -0.0007161500000000, 0.0068583600000000 ] - [ 0.0134731600000000, 0.0042626700000000, -0.0046278800000000 ] - [ 0.0062932300000000, -0.0034547800000000, -0.0072700500000000 ] - [ 0.0054694000000000, 0.0004746400000000, -0.0091004900000000 ] - [ 0.0056993000000000, -0.0007164500000000, -0.0060241100000000 ] - [ 0.0061348600000000, -0.0001466500000000, -0.0064142100000000 ] - [ 0.0053393200000000, -0.0001599500000000, -0.0064691700000000 ] - [ 0.0060585100000000, -0.0005354200000000, -0.0077265700000000 ] - [ 0.0054064800000000, -0.0005364100000000, -0.0051578300000000 ] - [ -0.0057176200000000, 0.0053665700000000, 0.0064344500000000 ] - [ -0.0057359700000000, -0.0008767200000000, 0.0064402700000000 ] - [ -0.0057334100000000, 0.0019849000000000, 0.0064427100000000 ] - [ -0.0057328000000000, -0.0011946600000000, 0.0064358500000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002713600000000, 0.0010545900000000, 0.0005820600000000 ] - [ 0.0002715300000000, -0.0012298700000000, 0.0005795700000000 ] - [ 0.0002723000000000, 0.0004062000000000, 0.0005811100000000 ] - [ 0.0002705000000000, -0.0005825300000000, 0.0005835600000000 ] - [ -0.0002677800000000, 0.0010551400000000, -0.0005806700000000 ] - [ -0.0002700900000000, -0.0012301000000000, -0.0005817400000000 ] - [ -0.0002701000000000, 0.0004068000000000, -0.0005816000000000 ] - [ -0.0002695100000000, -0.0005825300000000, -0.0005818300000000 ] - [ -0.0003825700000000, -0.0001126200000000, 0.0000157300000000 ] - [ -0.0001568200000000, -0.0001131000000000, -0.0011804300000000 ] - [ -0.0001578600000000, -0.0001152500000000, -0.0011778900000000 ] - [ -0.0003851200000000, -0.0001114800000000, 0.0000165800000000 ] - [ 0.0002715600000000, 0.0014442500000000, 0.0005799800000000 ] - [ 0.0002699800000000, -0.0008289300000000, 0.0005817100000000 ] - [ 0.0002678600000000, 0.0014484200000000, 0.0005831600000000 ] - [ 0.0002710500000000, -0.0008283500000000, 0.0005821100000000 ] - [ -0.0001371300000000, 0.0400742700000000, -0.0004079700000000 ] - [ -0.0001240200000000, -0.0047231900000000, -0.0004160500000000 ] - [ -0.0001220100000000, 0.0030820800000000, -0.0004167300000000 ] - [ -0.0001255300000000, -0.0015292000000000, -0.0004186100000000 ] - [ 0.0001145100000000, -0.0126284300000000, 0.0004233100000000 ] - [ 0.0001182900000000, -0.0127163400000000, 0.0004174200000000 ] - [ 0.0001270900000000, -0.0005939500000000, 0.0004164100000000 ] - [ 0.0001237000000000, -0.0005907100000000, 0.0004197600000000 ] - [ 0.0031069200000000, 0.0021738800000000, 0.0091493200000000 ] - [ 0.0002214800000000, -0.0023836700000000, -0.0007729400000000 ] - [ -0.0028645400000000, 0.0021599500000000, -0.0083353100000000 ] - [ 0.0000249700000000, -0.0023857300000000, 0.0016049200000000 ] - [ -0.0031312900000000, 0.0021981800000000, -0.0091673600000000 ] - [ -0.0002185200000000, -0.0023841200000000, 0.0007667200000000 ] - [ 0.0028871200000000, 0.0021990200000000, 0.0083469600000000 ] - [ -0.0000296300000000, -0.0023849500000000, -0.0015987400000000 ] - [ 0.0140202200000000, -0.0042516800000000, -0.0048207900000000 ] - [ 0.0068315300000000, 0.0034714700000000, -0.0074599800000000 ] - [ 0.0060086200000000, -0.0004610500000000, -0.0092833100000000 ] - [ 0.0062334500000000, 0.0007320100000000, -0.0062173800000000 ] - [ 0.0012819600000000, -0.0039951800000000, 0.0085331600000000 ] - [ -0.0057098500000000, 0.0034755800000000, 0.0058012100000000 ] - [ -0.0065282600000000, -0.0004639100000000, 0.0039842300000000 ] - [ -0.0063083100000000, 0.0007307000000000, 0.0070488300000000 ] - [ -0.0059449700000000, 0.0005195000000000, 0.0053500700000000 ] - [ -0.0066010100000000, 0.0005159000000000, 0.0079197800000000 ] - [ -0.0058790700000000, 0.0001502400000000, 0.0066631100000000 ] - [ -0.0066713400000000, 0.0001293900000000, 0.0066030600000000 ] - [ 0.0062735700000000, -0.0019948800000000, -0.0066346700000000 ] - [ 0.0062679200000000, 0.0011769800000000, -0.0066304900000000 ] - [ 0.0062546400000000, -0.0053839500000000, -0.0066281500000000 ] - [ 0.0062707500000000, 0.0008626500000000, -0.0066270200000000 ] - [ 0.0058291500000000, -0.0003863800000000, -0.0065604100000000 ] - [ 0.0058316700000000, 0.0007162500000000, -0.0065625100000000 ] - [ 0.0058301800000000, -0.0000758400000000, -0.0065599000000000 ] - [ 0.0058307500000000, 0.0004552900000000, -0.0065618700000000 ] - [ -0.0053663900000000, 0.0002207800000000, 0.0066032300000000 ] - [ -0.0062935700000000, 0.0002246300000000, 0.0065215400000000 ] - [ -0.0057251200000000, 0.0001708100000000, 0.0062941100000000 ] - [ -0.0059315000000000, 0.0001721700000000, 0.0068293500000000 ] - [ -0.0053569900000000, -0.0004479800000000, 0.0063690800000000 ] - [ -0.0059641500000000, 0.0000663600000000, 0.0066832800000000 ] - [ -0.0057621000000000, -0.0005525300000000, 0.0064822600000000 ] - [ -0.0058905500000000, 0.0001680500000000, 0.0065791200000000 ] - [ 0.0058921300000000, -0.0005547500000000, -0.0066401000000000 ] - [ 0.0057691500000000, 0.0001693900000000, -0.0065410400000000 ] - [ 0.0063048700000000, -0.0004503600000000, -0.0067545100000000 ] - [ 0.0056953800000000, 0.0000665500000000, -0.0064354900000000 ] - [ -0.0061553600000000, -0.0007709700000000, 0.0064567400000000 ] - [ -0.0061555700000000, 0.0003334200000000, 0.0064590100000000 ] - [ -0.0061541500000000, -0.0004606600000000, 0.0064603900000000 ] - [ -0.0061543100000000, 0.0000720900000000, 0.0064587000000000 ] - [ 0.0056924300000000, -0.0001612000000000, -0.0064972600000000 ] - [ 0.0066192900000000, -0.0001614600000000, -0.0064189800000000 ] - [ 0.0060526600000000, -0.0002119300000000, -0.0061929000000000 ] - [ 0.0062582500000000, -0.0002130500000000, -0.0067252500000000 ] - [ 0.0060877900000000, -0.0001714500000000, -0.0063784600000000 ] - [ 0.0062127200000000, 0.0005523400000000, -0.0064756400000000 ] - [ 0.0056829600000000, -0.0000626800000000, -0.0062667700000000 ] - [ 0.0062941900000000, 0.0004513700000000, -0.0065817000000000 ] - [ -0.0066263000000000, -0.0000620000000000, 0.0066500500000000 ] - [ -0.0060138600000000, 0.0004519700000000, 0.0063330700000000 ] - [ -0.0062174700000000, -0.0001718100000000, 0.0065377300000000 ] - [ -0.0060969800000000, 0.0005510900000000, 0.0064386200000000 ] - [ -0.0135215800000000, -0.0045915300000000, 0.0046335800000000 ] - [ -0.0062882300000000, 0.0031633800000000, 0.0072681800000000 ] - [ -0.0054736900000000, -0.0007651900000000, 0.0090901600000000 ] - [ -0.0056981800000000, 0.0004333900000000, 0.0060202500000000 ] - [ -0.0017658800000000, -0.0042493600000000, -0.0083535000000000 ] - [ 0.0051680500000000, 0.0031770800000000, -0.0056032900000000 ] - [ 0.0059935400000000, -0.0007591000000000, -0.0037843700000000 ] - [ 0.0057703800000000, 0.0004294500000000, -0.0068592500000000 ] - [ 0.0053379300000000, 0.0004415300000000, -0.0064737000000000 ] - [ 0.0061310500000000, 0.0004332800000000, -0.0064179900000000 ] - [ 0.0054074500000000, 0.0008214100000000, -0.0051599500000000 ] - [ 0.0060659100000000, 0.0008201000000000, -0.0077276000000000 ] - [ -0.0057173700000000, -0.0050827500000000, 0.0064325200000000 ] - [ -0.0057362900000000, 0.0011621800000000, 0.0064392900000000 ] - [ -0.0057352300000000, -0.0016980100000000, 0.0064380800000000 ] - [ -0.0057346200000000, 0.0014750900000000, 0.0064398900000000 ]- atom: 17 displacement: [ -0.0018982353749662, 0.0000000000000000, 0.0098181822381349 ] forces: - [ -0.0002056800000000, -0.0000845500000000, -0.0000918500000000 ] - [ 0.0000220600000000, -0.0000813500000000, 0.0003377900000000 ] - [ 0.0006277600000000, -0.0000820600000000, 0.0018432900000000 ] - [ 0.0002805800000000, -0.0000818100000000, 0.0009455900000000 ] - [ -0.0007459100000000, -0.0000824900000000, -0.0012545000000000 ] - [ -0.0005178200000000, -0.0000822300000000, -0.0008255200000000 ] - [ 0.0000872200000000, -0.0000834300000000, 0.0006805000000000 ] - [ -0.0002612700000000, -0.0000829100000000, -0.0002182600000000 ] - [ -0.0002119400000000, -0.0005271900000000, -0.0009329400000000 ] - [ -0.0002138800000000, 0.0006908500000000, -0.0009329700000000 ] - [ -0.0002122400000000, 0.0006908700000000, -0.0009347000000000 ] - [ -0.0002118700000000, -0.0005265500000000, -0.0009352000000000 ] - [ 0.0005678400000000, 0.0000832600000000, 0.0005177700000000 ] - [ 0.0002317300000000, 0.0000829800000000, 0.0006340800000000 ] - [ 0.0005699000000000, 0.0000829100000000, 0.0005179900000000 ] - [ 0.0002304000000000, 0.0000833400000000, 0.0006337200000000 ] - [ 0.0072058400000000, 0.0000200500000000, -0.0393237100000000 ] - [ -0.0002408600000000, 0.0000398000000000, -0.0011470600000000 ] - [ -0.0013659500000000, 0.0000395400000000, 0.0042612600000000 ] - [ 0.0000710500000000, 0.0000405700000000, 0.0002972300000000 ] - [ 0.0063691900000000, 0.0000185900000000, -0.0050027700000000 ] - [ 0.0063678900000000, 0.0000630700000000, -0.0050027500000000 ] - [ -0.0003601900000000, 0.0000411300000000, 0.0035772500000000 ] - [ -0.0003599300000000, 0.0000382100000000, 0.0035777000000000 ] - [ -0.0040562000000000, -0.0080237800000000, 0.0078715800000000 ] - [ 0.0002386800000000, 0.0011436600000000, 0.0003611100000000 ] - [ -0.0040946200000000, 0.0080188900000000, 0.0079026700000000 ] - [ 0.0002420700000000, -0.0012220000000000, 0.0003558300000000 ] - [ -0.0043143600000000, 0.0079608600000000, 0.0070391100000000 ] - [ -0.0000077600000000, -0.0012179900000000, -0.0004755500000000 ] - [ -0.0043346300000000, -0.0080810000000000, 0.0070649500000000 ] - [ -0.0000093300000000, 0.0011461600000000, -0.0004790400000000 ] - [ 0.0009878900000000, -0.0003034100000000, -0.0030258600000000 ] - [ 0.0054261700000000, -0.0005898500000000, -0.0058743600000000 ] - [ 0.0067329800000000, 0.0002487900000000, -0.0089533500000000 ] - [ 0.0064152100000000, 0.0003809900000000, -0.0070607500000000 ] - [ -0.0116430300000000, -0.0001779700000000, 0.0103235200000000 ] - [ -0.0071068200000000, -0.0006005900000000, 0.0073903900000000 ] - [ -0.0058048000000000, 0.0002468100000000, 0.0043065200000000 ] - [ -0.0061292900000000, 0.0003800300000000, 0.0061972900000000 ] - [ -0.0063828500000000, 0.0009449900000000, 0.0074466900000000 ] - [ -0.0063824600000000, -0.0012654000000000, 0.0074444300000000 ] - [ -0.0051906800000000, -0.0027108400000000, 0.0046940500000000 ] - [ -0.0051800000000000, 0.0023970800000000, 0.0046896600000000 ] - [ 0.0066044100000000, -0.0001584500000000, -0.0087495400000000 ] - [ 0.0063975500000000, -0.0001618800000000, -0.0069799500000000 ] - [ 0.0145219900000000, -0.0001666900000000, -0.0008020700000000 ] - [ 0.0061485400000000, -0.0001534600000000, -0.0062926700000000 ] - [ 0.0058360600000000, 0.0001783900000000, -0.0064078200000000 ] - [ 0.0058479800000000, 0.0001775300000000, -0.0065308300000000 ] - [ 0.0058053100000000, 0.0001779200000000, -0.0067096000000000 ] - [ 0.0058643700000000, 0.0001785600000000, -0.0066421100000000 ] - [ -0.0056051400000000, 0.0002579200000000, 0.0067712900000000 ] - [ -0.0056045500000000, 0.0000973500000000, 0.0067717200000000 ] - [ -0.0057953800000000, 0.0001809200000000, 0.0065189100000000 ] - [ -0.0057930400000000, 0.0001752800000000, 0.0065190500000000 ] - [ -0.0056446100000000, -0.0000871900000000, 0.0068204600000000 ] - [ -0.0058450900000000, -0.0003255200000000, 0.0067790500000000 ] - [ -0.0062937200000000, -0.0003745500000000, 0.0061396000000000 ] - [ -0.0058193500000000, -0.0001090600000000, 0.0063921800000000 ] - [ 0.0053703900000000, -0.0003727400000000, -0.0069831400000000 ] - [ 0.0058410900000000, -0.0001091900000000, -0.0067291200000000 ] - [ 0.0060133200000000, -0.0000879100000000, -0.0063012400000000 ] - [ 0.0058159800000000, -0.0003245900000000, -0.0063423500000000 ] - [ -0.0061503100000000, -0.0002056300000000, 0.0066118800000000 ] - [ -0.0061399100000000, -0.0002068100000000, 0.0064881500000000 ] - [ -0.0061766600000000, -0.0002059300000000, 0.0063081300000000 ] - [ -0.0061210500000000, -0.0002064700000000, 0.0063756100000000 ] - [ 0.0063840400000000, -0.0002885100000000, -0.0062479400000000 ] - [ 0.0063813600000000, -0.0001245500000000, -0.0062479400000000 ] - [ 0.0061892600000000, -0.0002096000000000, -0.0064993900000000 ] - [ 0.0061911800000000, -0.0002032900000000, -0.0064985100000000 ] - [ 0.0056921900000000, 0.0004007300000000, -0.0068804800000000 ] - [ 0.0061676600000000, 0.0001375300000000, -0.0066269100000000 ] - [ 0.0063393300000000, 0.0001152700000000, -0.0061996400000000 ] - [ 0.0061405500000000, 0.0003532100000000, -0.0062394000000000 ] - [ -0.0059691200000000, 0.0001157100000000, 0.0067173400000000 ] - [ -0.0061715400000000, 0.0003533700000000, 0.0066753800000000 ] - [ -0.0066188400000000, 0.0004026800000000, 0.0060360600000000 ] - [ -0.0061461900000000, 0.0001370900000000, 0.0062895200000000 ] - [ -0.0111041200000000, 0.0001970800000000, 0.0101323900000000 ] - [ -0.0065733600000000, 0.0006146200000000, 0.0071947000000000 ] - [ -0.0052682400000000, -0.0002330500000000, 0.0041137100000000 ] - [ -0.0055893800000000, -0.0003648900000000, 0.0060062600000000 ] - [ 0.0004515700000000, 0.0003241200000000, -0.0028377600000000 ] - [ 0.0048917400000000, 0.0006044900000000, -0.0056816800000000 ] - [ 0.0061979900000000, -0.0002339900000000, -0.0087620600000000 ] - [ 0.0058753700000000, -0.0003669000000000, -0.0068745100000000 ] - [ 0.0068140500000000, 0.0026842500000000, -0.0083813300000000 ] - [ 0.0068036100000000, -0.0023951800000000, -0.0083787200000000 ] - [ 0.0056239000000000, -0.0009710100000000, -0.0056221600000000 ] - [ 0.0056203900000000, 0.0012476300000000, -0.0056195200000000 ] - [ 0.0023286600000000, 0.0001341600000000, 0.0117808600000000 ] - [ -0.0058549900000000, 0.0001429900000000, 0.0067818800000000 ] - [ -0.0053984300000000, 0.0001401800000000, 0.0043113200000000 ] - [ -0.0056068900000000, 0.0001420600000000, 0.0060921100000000 ]- atom: 17 displacement: [ 0.0018982353749662, 0.0000000000000000, -0.0098181822381349 ] forces: - [ 0.0007463000000000, -0.0000842100000000, 0.0012542000000000 ] - [ 0.0005181200000000, -0.0000844000000000, 0.0008263500000000 ] - [ -0.0000844300000000, -0.0000840000000000, -0.0006774900000000 ] - [ 0.0002600600000000, -0.0000844300000000, 0.0002181000000000 ] - [ 0.0002061000000000, -0.0000820800000000, 0.0000911500000000 ] - [ -0.0000218700000000, -0.0000845100000000, -0.0003377300000000 ] - [ -0.0006289700000000, -0.0000814200000000, -0.0018441000000000 ] - [ -0.0002788900000000, -0.0000809000000000, -0.0009459100000000 ] - [ -0.0003275500000000, 0.0006914400000000, -0.0002274000000000 ] - [ -0.0003291200000000, -0.0005255900000000, -0.0002285800000000 ] - [ -0.0003275500000000, -0.0005244400000000, -0.0002315600000000 ] - [ -0.0003290400000000, 0.0006912900000000, -0.0002339100000000 ] - [ -0.0000310700000000, 0.0000816900000000, 0.0006474400000000 ] - [ 0.0003108600000000, 0.0000834400000000, 0.0005308200000000 ] - [ -0.0000267600000000, 0.0000811900000000, 0.0006438400000000 ] - [ 0.0003088800000000, 0.0000840700000000, 0.0005303400000000 ] - [ -0.0074465300000000, 0.0000597300000000, 0.0385299800000000 ] - [ -0.0000082400000000, 0.0000407400000000, 0.0003097900000000 ] - [ 0.0011175700000000, 0.0000406700000000, -0.0050975600000000 ] - [ -0.0003203000000000, 0.0000368000000000, -0.0011351100000000 ] - [ -0.0061204000000000, 0.0000245500000000, 0.0058365200000000 ] - [ -0.0061200000000000, 0.0000520200000000, 0.0058369400000000 ] - [ 0.0006080200000000, 0.0000362900000000, -0.0027455000000000 ] - [ 0.0006072400000000, 0.0000398200000000, -0.0027397900000000 ] - [ 0.0043348000000000, 0.0080007200000000, -0.0070609500000000 ] - [ 0.0000109800000000, -0.0012249700000000, 0.0004781500000000 ] - [ 0.0043131000000000, -0.0080444500000000, -0.0070449100000000 ] - [ 0.0000055800000000, 0.0011388100000000, 0.0004751200000000 ] - [ 0.0040948600000000, -0.0080971700000000, -0.0079025200000000 ] - [ -0.0002399000000000, 0.0011424200000000, -0.0003559000000000 ] - [ 0.0040556300000000, 0.0079491700000000, -0.0078782000000000 ] - [ -0.0002401200000000, -0.0012228700000000, -0.0003592800000000 ] - [ 0.0116232400000000, 0.0005189300000000, -0.0103037800000000 ] - [ 0.0071198900000000, 0.0009136200000000, -0.0073895700000000 ] - [ 0.0058092900000000, 0.0000680400000000, -0.0043036400000000 ] - [ 0.0061290800000000, -0.0000619000000000, -0.0061955600000000 ] - [ -0.0009644800000000, 0.0005889900000000, 0.0030069900000000 ] - [ -0.0054361000000000, 0.0009102900000000, 0.0058757200000000 ] - [ -0.0067367700000000, 0.0000687200000000, 0.0089480700000000 ] - [ -0.0064173400000000, -0.0000691400000000, 0.0070582100000000 ] - [ -0.0061633100000000, -0.0012651900000000, 0.0058131300000000 ] - [ -0.0061658900000000, 0.0009580600000000, 0.0058146000000000 ] - [ -0.0073470200000000, 0.0023833300000000, 0.0085657600000000 ] - [ -0.0073559400000000, -0.0027037300000000, 0.0085675600000000 ] - [ 0.0059392600000000, -0.0001584600000000, -0.0045074200000000 ] - [ 0.0061490300000000, -0.0001554600000000, -0.0062875400000000 ] - [ -0.0017690000000000, -0.0001478200000000, -0.0119765500000000 ] - [ 0.0063974400000000, -0.0001573900000000, -0.0069676800000000 ] - [ 0.0058322000000000, 0.0001751400000000, -0.0067131900000000 ] - [ 0.0058157500000000, 0.0001760600000000, -0.0065906600000000 ] - [ 0.0058573900000000, 0.0001780700000000, -0.0064084600000000 ] - [ 0.0058027900000000, 0.0001776000000000, -0.0064839100000000 ] - [ -0.0060602000000000, 0.0001009500000000, 0.0063488600000000 ] - [ -0.0060632000000000, 0.0002603100000000, 0.0063468700000000 ] - [ -0.0058726300000000, 0.0001732300000000, 0.0065982100000000 ] - [ -0.0058722900000000, 0.0001834500000000, 0.0066007000000000 ] - [ -0.0060243500000000, -0.0002716400000000, 0.0063008900000000 ] - [ -0.0058221600000000, -0.0000315900000000, 0.0063424900000000 ] - [ -0.0053746800000000, 0.0000183500000000, 0.0069833000000000 ] - [ -0.0058472400000000, -0.0002514500000000, 0.0067259100000000 ] - [ 0.0063018500000000, 0.0000168300000000, -0.0061387200000000 ] - [ 0.0058283400000000, -0.0002444700000000, -0.0063906400000000 ] - [ 0.0056534900000000, -0.0002662300000000, -0.0068215600000000 ] - [ 0.0058469200000000, -0.0000292200000000, -0.0067783200000000 ] - [ -0.0061692200000000, -0.0002091100000000, 0.0063020000000000 ] - [ -0.0061757400000000, -0.0002065600000000, 0.0064288600000000 ] - [ -0.0061378600000000, -0.0002068100000000, 0.0066034200000000 ] - [ -0.0062017400000000, -0.0002070600000000, 0.0065397100000000 ] - [ 0.0059362700000000, -0.0001220200000000, -0.0066642300000000 ] - [ 0.0059342100000000, -0.0002845500000000, -0.0066676200000000 ] - [ 0.0061272800000000, -0.0002061600000000, -0.0064161900000000 ] - [ 0.0061286300000000, -0.0002050500000000, -0.0064134400000000 ] - [ 0.0066306900000000, 0.0000097300000000, -0.0060382400000000 ] - [ 0.0061522000000000, 0.0002747200000000, -0.0062871300000000 ] - [ 0.0059776900000000, 0.0002969300000000, -0.0067156900000000 ] - [ 0.0061729200000000, 0.0000554800000000, -0.0066751400000000 ] - [ -0.0063450400000000, 0.0002971600000000, 0.0062003000000000 ] - [ -0.0061479600000000, 0.0000628900000000, 0.0062413400000000 ] - [ -0.0057014200000000, 0.0000111700000000, 0.0068802700000000 ] - [ -0.0061712000000000, 0.0002779900000000, 0.0066217900000000 ] - [ -0.0004277400000000, -0.0005765900000000, 0.0028135500000000 ] - [ -0.0049028700000000, -0.0008938400000000, 0.0056846300000000 ] - [ -0.0062024600000000, -0.0000502200000000, 0.0087610400000000 ] - [ -0.0058785800000000, 0.0000842400000000, 0.0068666900000000 ] - [ 0.0110841100000000, -0.0005091000000000, -0.0101095200000000 ] - [ 0.0065812600000000, -0.0008956700000000, -0.0071967300000000 ] - [ 0.0052695600000000, -0.0000492900000000, -0.0041138100000000 ] - [ 0.0055935700000000, 0.0000763900000000, -0.0060070400000000 ] - [ 0.0046513500000000, -0.0024105300000000, -0.0044964700000000 ] - [ 0.0046579600000000, 0.0026948200000000, -0.0044970300000000 ] - [ 0.0058456900000000, 0.0012477500000000, -0.0072544500000000 ] - [ 0.0058508000000000, -0.0009621500000000, -0.0072573300000000 ] - [ -0.0140146300000000, 0.0001480400000000, 0.0006119000000000 ] - [ -0.0056175300000000, 0.0001404300000000, 0.0060975100000000 ] - [ -0.0060700200000000, 0.0001451800000000, 0.0085625600000000 ] - [ -0.0058608900000000, 0.0001460500000000, 0.0067920500000000 ]- atom: 33 displacement: [ 0.0099988104925089, 0.0000000000000000, 0.0001542359714647 ] forces: - [ -0.0004054300000000, -0.0000819000000000, 0.0004583500000000 ] - [ 0.0002304500000000, -0.0000829900000000, 0.0005919800000000 ] - [ 0.0002447600000000, -0.0000822700000000, 0.0005518300000000 ] - [ 0.0002944200000000, -0.0000828800000000, 0.0006216700000000 ] - [ -0.0006127200000000, -0.0005540300000000, -0.0004118400000000 ] - [ -0.0006107600000000, 0.0003866400000000, -0.0004122400000000 ] - [ -0.0002673900000000, -0.0001832100000000, -0.0005456500000000 ] - [ -0.0002675700000000, 0.0000168000000000, -0.0005448400000000 ] - [ -0.0002830500000000, -0.0000550400000000, -0.0005950200000000 ] - [ -0.0005666400000000, 0.0005588600000000, -0.0004443400000000 ] - [ -0.0002994500000000, 0.0000209800000000, -0.0005793800000000 ] - [ -0.0004314100000000, 0.0001468600000000, -0.0010985100000000 ] - [ -0.0000253000000000, -0.0003915300000000, 0.0007190600000000 ] - [ 0.0002573200000000, 0.0002203400000000, 0.0005685100000000 ] - [ 0.0001074800000000, 0.0000197300000000, 0.0000650400000000 ] - [ 0.0002418900000000, 0.0001433400000000, 0.0005828400000000 ] - [ 0.0112122600000000, -0.0074772600000000, -0.0035063300000000 ] - [ 0.0009687200000000, -0.0005112900000000, -0.0010565000000000 ] - [ 0.0004208200000000, 0.0003478300000000, 0.0001225500000000 ] - [ -0.0001341100000000, 0.0000681300000000, -0.0002824100000000 ] - [ 0.0012095500000000, 0.0005853000000000, -0.0002166900000000 ] - [ 0.0115329600000000, 0.0075991700000000, -0.0026841000000000 ] - [ 0.0001145700000000, 0.0000098300000000, 0.0005539700000000 ] - [ 0.0006722700000000, -0.0002666100000000, 0.0009596200000000 ] - [ 0.0005960900000000, -0.0003423300000000, 0.0004074100000000 ] - [ 0.0005973500000000, 0.0002624700000000, 0.0004059100000000 ] - [ 0.0008370000000000, -0.0004352300000000, 0.0016206100000000 ] - [ 0.0008399100000000, 0.0003570800000000, 0.0016269500000000 ] - [ 0.0084513400000000, -0.0000394100000000, 0.0095329000000000 ] - [ -0.0001405900000000, -0.0000408300000000, -0.0005398300000000 ] - [ 0.0003011300000000, -0.0000398000000000, -0.0000274600000000 ] - [ -0.0000913000000000, -0.0000402500000000, -0.0002915200000000 ] - [ -0.0297947700000000, 0.0001137700000000, -0.0095555800000000 ] - [ 0.0059145400000000, 0.0001595900000000, -0.0063636000000000 ] - [ 0.0061995200000000, 0.0001593700000000, -0.0067847500000000 ] - [ 0.0062804400000000, 0.0001609100000000, -0.0066862600000000 ] - [ -0.0042438900000000, -0.0031997900000000, 0.0048951100000000 ] - [ -0.0042415000000000, 0.0035376300000000, 0.0048845200000000 ] - [ -0.0062978000000000, 0.0001692200000000, 0.0065696300000000 ] - [ -0.0062972300000000, 0.0001400600000000, 0.0065714100000000 ] - [ -0.0063617800000000, -0.0000577600000000, 0.0067597500000000 ] - [ -0.0059718600000000, -0.0000042700000000, 0.0075178900000000 ] - [ -0.0063214100000000, -0.0001414000000000, 0.0065088700000000 ] - [ -0.0063606500000000, -0.0002522400000000, 0.0062995300000000 ] - [ 0.0052771000000000, -0.0004295000000000, -0.0076665600000000 ] - [ 0.0062328400000000, -0.0001507400000000, -0.0066526900000000 ] - [ 0.0052805500000000, 0.0005716600000000, -0.0070683900000000 ] - [ 0.0062363400000000, -0.0001234600000000, -0.0066651000000000 ] - [ 0.0059644000000000, 0.0002893900000000, -0.0065716200000000 ] - [ 0.0059753300000000, 0.0000219300000000, -0.0066123100000000 ] - [ 0.0058862000000000, 0.0002002800000000, -0.0063780800000000 ] - [ 0.0058474700000000, 0.0001441900000000, -0.0065810700000000 ] - [ -0.0058385600000000, 0.0002258600000000, 0.0065760000000000 ] - [ -0.0051240600000000, -0.0001857700000000, 0.0068963800000000 ] - [ -0.0058476000000000, 0.0001958700000000, 0.0065706100000000 ] - [ -0.0058171200000000, 0.0001541200000000, 0.0065226500000000 ] - [ -0.0058232000000000, -0.0001155500000000, 0.0065554900000000 ] - [ -0.0058252700000000, -0.0002508300000000, 0.0065558200000000 ] - [ -0.0058408400000000, -0.0001161000000000, 0.0065619100000000 ] - [ -0.0058379400000000, -0.0002408700000000, 0.0065671800000000 ] - [ 0.0059104200000000, -0.0001725100000000, -0.0065731500000000 ] - [ 0.0058641800000000, -0.0001743900000000, -0.0066125400000000 ] - [ 0.0059073100000000, -0.0001791700000000, -0.0064271500000000 ] - [ 0.0058641700000000, -0.0001764100000000, -0.0065604200000000 ] - [ -0.0054503600000000, 0.0001608500000000, 0.0067915400000000 ] - [ -0.0061624100000000, -0.0002558000000000, 0.0064739000000000 ] - [ -0.0061432100000000, -0.0001861200000000, 0.0064297100000000 ] - [ -0.0061678500000000, -0.0002207000000000, 0.0064693700000000 ] - [ 0.0063017600000000, -0.0000482700000000, -0.0065045100000000 ] - [ 0.0062965100000000, -0.0003188600000000, -0.0064608900000000 ] - [ 0.0061763800000000, -0.0001676100000000, -0.0064795000000000 ] - [ 0.0062089600000000, -0.0002324400000000, -0.0062733700000000 ] - [ 0.0062420000000000, 0.0003858700000000, -0.0065221500000000 ] - [ 0.0062450800000000, 0.0000173300000000, -0.0065285900000000 ] - [ 0.0062425400000000, 0.0002961400000000, -0.0064064000000000 ] - [ 0.0062441700000000, 0.0001152900000000, -0.0064064900000000 ] - [ -0.0052450000000000, 0.0002131000000000, 0.0061609400000000 ] - [ -0.0061917100000000, 0.0002087100000000, 0.0064829700000000 ] - [ -0.0061452900000000, 0.0002067100000000, 0.0064746300000000 ] - [ -0.0061711700000000, 0.0002065300000000, 0.0064475300000000 ] - [ -0.0048107400000000, -0.0001532500000000, 0.0055808200000000 ] - [ -0.0059288700000000, -0.0001388700000000, 0.0064892700000000 ] - [ -0.0051953200000000, -0.0001419100000000, 0.0079577600000000 ] - [ -0.0057354800000000, -0.0001372800000000, 0.0064698800000000 ] - [ 0.0042263500000000, 0.0001373300000000, -0.0057226500000000 ] - [ 0.0042136100000000, -0.0004281900000000, -0.0057210900000000 ] - [ 0.0055746600000000, -0.0001645100000000, -0.0067226400000000 ] - [ 0.0055703500000000, -0.0001267500000000, -0.0067249400000000 ] - [ 0.0057009700000000, 0.0001369900000000, -0.0064564300000000 ] - [ 0.0047420800000000, 0.0004140000000000, -0.0074709500000000 ] - [ 0.0057010800000000, 0.0001092300000000, -0.0064726400000000 ] - [ 0.0047350100000000, -0.0005900000000000, -0.0068832300000000 ] - [ -0.0054336100000000, -0.0000160500000000, 0.0073175100000000 ] - [ -0.0058253100000000, 0.0000462000000000, 0.0065698200000000 ] - [ -0.0058228900000000, 0.0002342700000000, 0.0061123600000000 ] - [ -0.0057822000000000, 0.0001285100000000, 0.0063223700000000 ]- atom: 33 displacement: [ -0.0099988104925089, 0.0000000000000000, -0.0001542359714647 ] forces: - [ 0.0009395600000000, -0.0000849100000000, 0.0007038900000000 ] - [ 0.0003105000000000, -0.0000829300000000, 0.0005713000000000 ] - [ 0.0002965500000000, -0.0000836200000000, 0.0006109600000000 ] - [ 0.0002448200000000, -0.0000817400000000, 0.0005423600000000 ] - [ 0.0000677500000000, 0.0003802000000000, -0.0007476500000000 ] - [ 0.0000671600000000, -0.0005456800000000, -0.0007464200000000 ] - [ -0.0002735800000000, 0.0000184700000000, -0.0006175100000000 ] - [ -0.0002728600000000, -0.0001833400000000, -0.0006174300000000 ] - [ -0.0002555500000000, 0.0002186800000000, -0.0005676100000000 ] - [ 0.0000201400000000, -0.0003850600000000, -0.0007157300000000 ] - [ -0.0002417400000000, 0.0001424200000000, -0.0005839000000000 ] - [ -0.0001103300000000, 0.0000196400000000, -0.0000764000000000 ] - [ 0.0005613600000000, 0.0005509000000000, 0.0004478200000000 ] - [ 0.0002822100000000, -0.0000534800000000, 0.0005957700000000 ] - [ 0.0004304600000000, 0.0001465100000000, 0.0010885700000000 ] - [ 0.0002998200000000, 0.0000237100000000, 0.0005791900000000 ] - [ -0.0116295700000000, 0.0078356200000000, 0.0027921600000000 ] - [ -0.0012151200000000, 0.0005919100000000, 0.0002178400000000 ] - [ -0.0006625200000000, -0.0002547900000000, -0.0009593900000000 ] - [ -0.0001150900000000, 0.0000097300000000, -0.0005549200000000 ] - [ -0.0009585700000000, -0.0005053400000000, 0.0010488800000000 ] - [ -0.0114538100000000, -0.0078023000000000, 0.0036421300000000 ] - [ 0.0001314700000000, 0.0000702700000000, 0.0002828200000000 ] - [ -0.0004091200000000, 0.0003326600000000, -0.0001245100000000 ] - [ -0.0003408000000000, 0.0002721800000000, 0.0004266500000000 ] - [ -0.0003435100000000, -0.0003488800000000, 0.0004270300000000 ] - [ -0.0005853600000000, 0.0003555400000000, -0.0007820800000000 ] - [ -0.0005876300000000, -0.0004381700000000, -0.0007899800000000 ] - [ -0.0086930000000000, -0.0000401800000000, -0.0105521100000000 ] - [ -0.0001101700000000, -0.0000395300000000, -0.0002966700000000 ] - [ -0.0005518500000000, -0.0000389600000000, -0.0008049300000000 ] - [ -0.0001553300000000, -0.0000393500000000, -0.0005450100000000 ] - [ 0.0426986600000000, 0.0002014700000000, -0.0037932300000000 ] - [ 0.0066245900000000, 0.0001573300000000, -0.0068983400000000 ] - [ 0.0063374900000000, 0.0001577100000000, -0.0064728200000000 ] - [ 0.0062611300000000, 0.0001580300000000, -0.0065713100000000 ] - [ -0.0083062900000000, 0.0035162900000000, 0.0083638200000000 ] - [ -0.0083038100000000, -0.0032227800000000, 0.0083748500000000 ] - [ -0.0062387200000000, 0.0001399900000000, 0.0066919000000000 ] - [ -0.0062440300000000, 0.0001734000000000, 0.0066918600000000 ] - [ -0.0061752500000000, -0.0002541500000000, 0.0065045700000000 ] - [ -0.0065927500000000, -0.0003250200000000, 0.0057243400000000 ] - [ -0.0062213300000000, -0.0001725200000000, 0.0067489600000000 ] - [ -0.0061813700000000, -0.0000632100000000, 0.0069634900000000 ] - [ 0.0072507400000000, 0.0001143600000000, -0.0056058600000000 ] - [ 0.0063071300000000, -0.0001651300000000, -0.0066098900000000 ] - [ 0.0072622200000000, -0.0008907700000000, -0.0061909300000000 ] - [ 0.0063025100000000, -0.0001904400000000, -0.0066017200000000 ] - [ 0.0056918100000000, 0.0000683600000000, -0.0065555900000000 ] - [ 0.0056929200000000, 0.0003308300000000, -0.0065111900000000 ] - [ 0.0057814100000000, 0.0001550800000000, -0.0067415600000000 ] - [ 0.0058113800000000, 0.0002141900000000, -0.0065392800000000 ] - [ -0.0058256400000000, 0.0001306100000000, 0.0065461600000000 ] - [ -0.0065180800000000, 0.0005336000000000, 0.0062370500000000 ] - [ -0.0058167300000000, 0.0001635600000000, 0.0065503400000000 ] - [ -0.0058448900000000, 0.0001962800000000, 0.0065969100000000 ] - [ -0.0058369700000000, -0.0002453600000000, 0.0065641400000000 ] - [ -0.0058405800000000, -0.0001112700000000, 0.0065614500000000 ] - [ -0.0058210200000000, -0.0002388500000000, 0.0065573900000000 ] - [ -0.0058234400000000, -0.0001180700000000, 0.0065579900000000 ] - [ 0.0057529500000000, -0.0001782200000000, -0.0065474200000000 ] - [ 0.0057991500000000, -0.0001775900000000, -0.0065092600000000 ] - [ 0.0057517400000000, -0.0001781200000000, -0.0066931600000000 ] - [ 0.0058019300000000, -0.0001774000000000, -0.0065602200000000 ] - [ -0.0068433500000000, -0.0005601000000000, 0.0061346200000000 ] - [ -0.0061509300000000, -0.0001598400000000, 0.0064441400000000 ] - [ -0.0061706900000000, -0.0002254100000000, 0.0064941900000000 ] - [ -0.0061424400000000, -0.0001905800000000, 0.0064470600000000 ] - [ 0.0060145700000000, -0.0003602600000000, -0.0064077900000000 ] - [ 0.0060178800000000, -0.0000951000000000, -0.0064532300000000 ] - [ 0.0061378100000000, -0.0002412700000000, -0.0064369800000000 ] - [ 0.0061040800000000, -0.0001841000000000, -0.0066375100000000 ] - [ 0.0060667700000000, 0.0000235900000000, -0.0063924800000000 ] - [ 0.0060713100000000, 0.0003884400000000, -0.0063931600000000 ] - [ 0.0060691100000000, 0.0001179000000000, -0.0065096200000000 ] - [ 0.0060692000000000, 0.0002932200000000, -0.0065079200000000 ] - [ -0.0070379200000000, 0.0002068400000000, 0.0067414100000000 ] - [ -0.0061254400000000, 0.0002067200000000, 0.0064302100000000 ] - [ -0.0061633600000000, 0.0002061500000000, 0.0064393800000000 ] - [ -0.0061426000000000, 0.0002068400000000, 0.0064673500000000 ] - [ -0.0067062200000000, -0.0001348200000000, 0.0073285400000000 ] - [ -0.0055366100000000, -0.0001435000000000, 0.0063880800000000 ] - [ -0.0062675900000000, -0.0001396800000000, 0.0049728500000000 ] - [ -0.0057273800000000, -0.0001416400000000, 0.0064119200000000 ] - [ 0.0072434200000000, -0.0004110000000000, -0.0071636200000000 ] - [ 0.0072549400000000, 0.0001330600000000, -0.0071650600000000 ] - [ 0.0058915900000000, -0.0001256600000000, -0.0061531300000000 ] - [ 0.0058906400000000, -0.0001582300000000, -0.0061528800000000 ] - [ 0.0057659200000000, 0.0001490800000000, -0.0064197000000000 ] - [ 0.0067160200000000, -0.0001302300000000, -0.0054149700000000 ] - [ 0.0057670300000000, 0.0001765300000000, -0.0064106200000000 ] - [ 0.0067330200000000, 0.0008755000000000, -0.0059955500000000 ] - [ -0.0060546100000000, 0.0003112800000000, 0.0055405500000000 ] - [ -0.0056395700000000, 0.0002389900000000, 0.0063122200000000 ] - [ -0.0056416900000000, 0.0000466900000000, 0.0067749800000000 ] - [ -0.0056860800000000, 0.0001582000000000, 0.0065581400000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002727600000000, 0.0004858200000000, 0.0005825100000000 ] - [ 0.0002704400000000, -0.0006191300000000, 0.0005815700000000 ] - [ 0.0002709000000000, 0.0001712900000000, 0.0005810200000000 ] - [ 0.0002713800000000, -0.0003569000000000, 0.0005821900000000 ] - [ -0.0001469000000000, -0.0001277200000000, -0.0004751300000000 ] - [ -0.0003924100000000, -0.0001292400000000, -0.0006875800000000 ] - [ -0.0002572500000000, -0.0000751700000000, -0.0005752300000000 ] - [ -0.0002826500000000, -0.0000774600000000, -0.0005877600000000 ] - [ -0.0002206400000000, -0.0001622800000000, -0.0004216600000000 ] - [ -0.0003252500000000, 0.0003527100000000, -0.0006822000000000 ] - [ -0.0002232800000000, -0.0002636500000000, -0.0006429800000000 ] - [ -0.0003191800000000, 0.0004609300000000, -0.0003924100000000 ] - [ 0.0003267500000000, 0.0003567000000000, 0.0006857900000000 ] - [ 0.0002211300000000, -0.0001618800000000, 0.0004240500000000 ] - [ 0.0003172300000000, 0.0004608400000000, 0.0003911300000000 ] - [ 0.0002225400000000, -0.0002608200000000, 0.0006412400000000 ] - [ -0.0011780400000000, 0.0044047000000000, -0.0009741900000000 ] - [ 0.0009465700000000, -0.0032744000000000, -0.0009749600000000 ] - [ 0.0000400300000000, 0.0006704300000000, -0.0003002200000000 ] - [ -0.0000624800000000, -0.0005350000000000, -0.0001812800000000 ] - [ -0.0009520500000000, -0.0032797400000000, 0.0009780000000000 ] - [ 0.0010415000000000, 0.0042420700000000, 0.0010547500000000 ] - [ 0.0000627700000000, -0.0005329100000000, 0.0001781900000000 ] - [ -0.0000256400000000, 0.0006535600000000, 0.0002904500000000 ] - [ -0.0001530700000000, -0.0007109900000000, 0.0014954400000000 ] - [ 0.0004021800000000, -0.0007170200000000, -0.0006596700000000 ] - [ -0.0005511600000000, -0.0003372900000000, -0.0023157800000000 ] - [ 0.0007944400000000, -0.0003347300000000, 0.0031344200000000 ] - [ -0.0001245600000000, 0.0051904500000000, -0.0004222600000000 ] - [ -0.0001252800000000, -0.0010611200000000, -0.0004182700000000 ] - [ -0.0001254500000000, 0.0018014000000000, -0.0004234700000000 ] - [ -0.0001252600000000, -0.0013758400000000, -0.0004170500000000 ] - [ 0.0064828200000000, -0.0221024200000000, -0.0067275300000000 ] - [ 0.0062720100000000, 0.0013915800000000, -0.0066321600000000 ] - [ 0.0062708900000000, -0.0002317500000000, -0.0066276400000000 ] - [ 0.0062726600000000, 0.0004748000000000, -0.0066323500000000 ] - [ -0.0097241900000000, 0.0077942700000000, 0.0101700700000000 ] - [ -0.0028657100000000, 0.0077371200000000, 0.0031163200000000 ] - [ -0.0062511300000000, 0.0002654300000000, 0.0062595500000000 ] - [ -0.0062941500000000, 0.0002695300000000, 0.0070055600000000 ] - [ -0.0061677400000000, 0.0001926200000000, 0.0063234300000000 ] - [ -0.0061559500000000, -0.0004114500000000, 0.0090469300000000 ] - [ -0.0062587600000000, 0.0006224800000000, 0.0069606500000000 ] - [ -0.0063707800000000, -0.0007371200000000, 0.0068658900000000 ] - [ 0.0055472500000000, -0.0007092300000000, -0.0073456300000000 ] - [ 0.0062374500000000, 0.0003225300000000, -0.0066922000000000 ] - [ 0.0065221500000000, -0.0007051000000000, -0.0053546200000000 ] - [ 0.0062699300000000, 0.0003196900000000, -0.0068519700000000 ] - [ 0.0057180900000000, 0.0000591700000000, -0.0065554900000000 ] - [ 0.0059903800000000, 0.0003198800000000, -0.0065189100000000 ] - [ 0.0058123000000000, 0.0001054100000000, -0.0064752200000000 ] - [ 0.0058712000000000, 0.0002491700000000, -0.0066037100000000 ] - [ -0.0057836300000000, 0.0003244000000000, 0.0065397600000000 ] - [ -0.0061901300000000, 0.0002083700000000, 0.0063854100000000 ] - [ -0.0058187700000000, 0.0002536300000000, 0.0064714900000000 ] - [ -0.0058552500000000, 0.0001042000000000, 0.0066137600000000 ] - [ -0.0057639500000000, -0.0001872600000000, 0.0064672600000000 ] - [ -0.0059037900000000, -0.0001856000000000, 0.0066523500000000 ] - [ -0.0057722500000000, -0.0001587800000000, 0.0065298400000000 ] - [ -0.0058952700000000, -0.0001607900000000, 0.0065905400000000 ] - [ 0.0058351800000000, -0.0003212600000000, -0.0065603800000000 ] - [ 0.0058346400000000, -0.0000284100000000, -0.0065593500000000 ] - [ 0.0058327200000000, -0.0003222100000000, -0.0065612100000000 ] - [ 0.0058353500000000, -0.0000290200000000, -0.0065603600000000 ] - [ -0.0057988200000000, -0.0001726600000000, 0.0066358500000000 ] - [ -0.0062043300000000, -0.0000592900000000, 0.0064788800000000 ] - [ -0.0061411400000000, -0.0002825900000000, 0.0064045700000000 ] - [ -0.0061778700000000, -0.0001296800000000, 0.0065449700000000 ] - [ 0.0060042000000000, -0.0000643300000000, -0.0064984700000000 ] - [ 0.0062719100000000, -0.0003247200000000, -0.0064651100000000 ] - [ 0.0061213000000000, -0.0001362300000000, -0.0064123400000000 ] - [ 0.0061834600000000, -0.0002772300000000, -0.0065390100000000 ] - [ 0.0060661600000000, 0.0001916900000000, -0.0064285100000000 ] - [ 0.0062497100000000, 0.0001945600000000, -0.0064859300000000 ] - [ 0.0059746700000000, 0.0001941400000000, -0.0063994700000000 ] - [ 0.0063461700000000, 0.0001933000000000, -0.0065156900000000 ] - [ -0.0061610400000000, 0.0000049400000000, 0.0064566200000000 ] - [ -0.0061596100000000, 0.0003481800000000, 0.0064573100000000 ] - [ -0.0061573000000000, -0.0000414300000000, 0.0064585400000000 ] - [ -0.0061627200000000, 0.0003912000000000, 0.0064567300000000 ] - [ -0.0057380200000000, -0.0045080300000000, 0.0064457500000000 ] - [ -0.0057321700000000, 0.0017473600000000, 0.0064391300000000 ] - [ -0.0057343300000000, -0.0002947100000000, 0.0064734100000000 ] - [ -0.0057338600000000, 0.0001823100000000, 0.0064404300000000 ] - [ 0.0054517400000000, 0.0011699000000000, -0.0066756500000000 ] - [ 0.0060008300000000, 0.0011531100000000, -0.0062008000000000 ] - [ 0.0057426400000000, -0.0001808100000000, -0.0056629800000000 ] - [ 0.0057272500000000, -0.0001775200000000, -0.0072107900000000 ] - [ 0.0057672700000000, 0.0006205200000000, -0.0063744000000000 ] - [ 0.0064504400000000, -0.0004116000000000, -0.0057440000000000 ] - [ 0.0057367200000000, 0.0006213100000000, -0.0062182400000000 ] - [ 0.0054843600000000, -0.0004057900000000, -0.0077150900000000 ] - [ -0.0058682500000000, -0.0001061900000000, 0.0040005700000000 ] - [ -0.0058358000000000, 0.0004953700000000, 0.0067459800000000 ] - [ -0.0056322900000000, -0.0004368600000000, 0.0062104400000000 ] - [ -0.0057449300000000, 0.0009203000000000, 0.0061085400000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002734800000000, -0.0006523000000000, 0.0005834700000000 ] - [ 0.0002693900000000, 0.0004554700000000, 0.0005814800000000 ] - [ 0.0002702300000000, -0.0003380100000000, 0.0005801200000000 ] - [ 0.0002701900000000, 0.0001916000000000, 0.0005812900000000 ] - [ -0.0003905200000000, -0.0000346800000000, -0.0006877100000000 ] - [ -0.0001480800000000, -0.0000403800000000, -0.0004744900000000 ] - [ -0.0002831300000000, -0.0000866200000000, -0.0005867100000000 ] - [ -0.0002576600000000, -0.0000919600000000, -0.0005770400000000 ] - [ -0.0003184800000000, 0.0003285000000000, -0.0007402200000000 ] - [ -0.0002148000000000, -0.0001916200000000, -0.0004793100000000 ] - [ -0.0003178500000000, 0.0004279800000000, -0.0005211100000000 ] - [ -0.0002219400000000, -0.0002942800000000, -0.0007726200000000 ] - [ 0.0002171800000000, -0.0001846000000000, 0.0004795000000000 ] - [ 0.0003189100000000, 0.0003258300000000, 0.0007413600000000 ] - [ 0.0002217200000000, -0.0002945600000000, 0.0007734200000000 ] - [ 0.0003179400000000, 0.0004277300000000, 0.0005199300000000 ] - [ 0.0007350100000000, -0.0041211600000000, 0.0002367600000000 ] - [ -0.0012007200000000, 0.0033636400000000, 0.0001428700000000 ] - [ -0.0002730200000000, -0.0005683600000000, -0.0005490800000000 ] - [ -0.0001870400000000, 0.0006107800000000, -0.0006583900000000 ] - [ 0.0011975800000000, 0.0033499000000000, -0.0001396100000000 ] - [ -0.0009895100000000, -0.0043687000000000, -0.0001210900000000 ] - [ 0.0001847300000000, 0.0006156600000000, 0.0006551200000000 ] - [ 0.0002923200000000, -0.0005969100000000, 0.0005327100000000 ] - [ 0.0004023100000000, 0.0006418300000000, -0.0006509200000000 ] - [ -0.0001544600000000, 0.0006295300000000, 0.0015015300000000 ] - [ 0.0007964400000000, 0.0002595300000000, 0.0031350800000000 ] - [ -0.0005474300000000, 0.0002537500000000, -0.0023177200000000 ] - [ -0.0001393700000000, -0.0052693600000000, -0.0004410800000000 ] - [ -0.0001254400000000, 0.0009802700000000, -0.0004153100000000 ] - [ -0.0001230300000000, -0.0018796000000000, -0.0004238400000000 ] - [ -0.0001259100000000, 0.0012950600000000, -0.0004248700000000 ] - [ 0.0065685800000000, 0.0224144100000000, -0.0067614400000000 ] - [ 0.0062662300000000, -0.0010756000000000, -0.0066326700000000 ] - [ 0.0062677900000000, 0.0005466900000000, -0.0066287300000000 ] - [ 0.0062692700000000, -0.0001588600000000, -0.0066282700000000 ] - [ -0.0028428600000000, -0.0074217800000000, 0.0031177600000000 ] - [ -0.0096987000000000, -0.0074780100000000, 0.0101682500000000 ] - [ -0.0062888700000000, 0.0000466000000000, 0.0070001400000000 ] - [ -0.0062470300000000, 0.0000484300000000, 0.0062590600000000 ] - [ -0.0063703400000000, -0.0005076200000000, 0.0069359800000000 ] - [ -0.0064005300000000, 0.0000954200000000, 0.0041851900000000 ] - [ -0.0062769100000000, -0.0009374300000000, 0.0063014000000000 ] - [ -0.0061695100000000, 0.0004225500000000, 0.0064045400000000 ] - [ 0.0069878100000000, 0.0003895800000000, -0.0059350000000000 ] - [ 0.0063032800000000, -0.0006347500000000, -0.0065673800000000 ] - [ 0.0060127600000000, 0.0003945700000000, -0.0079003400000000 ] - [ 0.0062708800000000, -0.0006356900000000, -0.0064088000000000 ] - [ 0.0059404900000000, 0.0002958800000000, -0.0065682800000000 ] - [ 0.0056764600000000, 0.0000367000000000, -0.0066015200000000 ] - [ 0.0058533500000000, 0.0002484600000000, -0.0066450900000000 ] - [ 0.0057904100000000, 0.0001070800000000, -0.0065146100000000 ] - [ -0.0058796400000000, 0.0000308000000000, 0.0065824400000000 ] - [ -0.0054665400000000, 0.0001470400000000, 0.0067388500000000 ] - [ -0.0058476100000000, 0.0001025200000000, 0.0066479700000000 ] - [ -0.0058122400000000, 0.0002550000000000, 0.0065087500000000 ] - [ -0.0059005600000000, -0.0001717600000000, 0.0066528600000000 ] - [ -0.0057622700000000, -0.0001685200000000, 0.0064670800000000 ] - [ -0.0058924100000000, -0.0001963600000000, 0.0065898500000000 ] - [ -0.0057710500000000, -0.0001957000000000, 0.0065310400000000 ] - [ 0.0058302700000000, -0.0000348500000000, -0.0065611400000000 ] - [ 0.0058315100000000, -0.0003277100000000, -0.0065610400000000 ] - [ 0.0058285300000000, -0.0000345900000000, -0.0065626100000000 ] - [ 0.0058328200000000, -0.0003277100000000, -0.0065613300000000 ] - [ -0.0065134900000000, -0.0002370600000000, 0.0062826700000000 ] - [ -0.0061033100000000, -0.0003531600000000, 0.0064356900000000 ] - [ -0.0061772800000000, -0.0001323100000000, 0.0065119200000000 ] - [ -0.0061384300000000, -0.0002826500000000, 0.0063690900000000 ] - [ 0.0063110000000000, -0.0003485600000000, -0.0064154100000000 ] - [ 0.0060425200000000, -0.0000865900000000, -0.0064517200000000 ] - [ 0.0061936600000000, -0.0002763200000000, -0.0065020500000000 ] - [ 0.0061326600000000, -0.0001329300000000, -0.0063730700000000 ] - [ 0.0062423300000000, 0.0002180400000000, -0.0064864800000000 ] - [ 0.0060688700000000, 0.0002205500000000, -0.0064279000000000 ] - [ 0.0063399700000000, 0.0002192700000000, -0.0065169700000000 ] - [ 0.0059712000000000, 0.0002187000000000, -0.0064007700000000 ] - [ -0.0061590700000000, 0.0004081000000000, 0.0064589800000000 ] - [ -0.0061568400000000, 0.0000647100000000, 0.0064579300000000 ] - [ -0.0061528000000000, 0.0004545800000000, 0.0064602800000000 ] - [ -0.0061573600000000, 0.0000193800000000, 0.0064584800000000 ] - [ -0.0057191800000000, 0.0042222100000000, 0.0064403100000000 ] - [ -0.0057356900000000, -0.0020304600000000, 0.0064444300000000 ] - [ -0.0057266400000000, 0.0000100300000000, 0.0064905200000000 ] - [ -0.0057293200000000, -0.0004659600000000, 0.0064406100000000 ] - [ 0.0059886400000000, -0.0014074900000000, -0.0061979200000000 ] - [ 0.0054422700000000, -0.0014862600000000, -0.0066763400000000 ] - [ 0.0057221500000000, -0.0001100200000000, -0.0072124400000000 ] - [ 0.0057348800000000, -0.0001010800000000, -0.0056618200000000 ] - [ 0.0056999000000000, -0.0003356900000000, -0.0065043200000000 ] - [ 0.0050101100000000, 0.0006970700000000, -0.0071531700000000 ] - [ 0.0057293800000000, -0.0003367800000000, -0.0066587500000000 ] - [ 0.0059789400000000, 0.0006862800000000, -0.0051590900000000 ] - [ -0.0056138500000000, 0.0003870000000000, 0.0088498800000000 ] - [ -0.0056286800000000, -0.0002057300000000, 0.0061299500000000 ] - [ -0.0058288200000000, 0.0007206000000000, 0.0066781700000000 ] - [ -0.0057201600000000, -0.0006362300000000, 0.0067728700000000 ]- atom: 33 displacement: [ -0.0018982353749662, 0.0000000000000000, 0.0098181822381349 ] forces: - [ 0.0003424900000000, -0.0000835900000000, 0.0007471400000000 ] - [ 0.0003519400000000, -0.0000834600000000, 0.0006210400000000 ] - [ 0.0000515600000000, -0.0000836800000000, 0.0003926800000000 ] - [ 0.0002861200000000, -0.0000820800000000, 0.0004954200000000 ] - [ -0.0002025300000000, -0.0000352100000000, -0.0004053500000000 ] - [ -0.0002017800000000, -0.0001316200000000, -0.0004041400000000 ] - [ -0.0003669900000000, 0.0001978500000000, -0.0006501700000000 ] - [ -0.0003667100000000, -0.0003644200000000, -0.0006510900000000 ] - [ -0.0002536600000000, 0.0002297900000000, -0.0003591600000000 ] - [ -0.0002567000000000, -0.0001956100000000, -0.0003588200000000 ] - [ -0.0002273300000000, 0.0001125900000000, -0.0007431300000000 ] - [ -0.0002966000000000, -0.0000071500000000, -0.0009179100000000 ] - [ 0.0002855900000000, 0.0003619500000000, 0.0008047300000000 ] - [ 0.0002854200000000, -0.0000636500000000, 0.0008035800000000 ] - [ 0.0002444500000000, 0.0001714700000000, 0.0002490700000000 ] - [ 0.0003135500000000, 0.0000553200000000, 0.0004193700000000 ] - [ -0.0015437900000000, -0.0002926100000000, 0.0039947800000000 ] - [ -0.0010409500000000, 0.0009601900000000, 0.0003211300000000 ] - [ 0.0015635800000000, 0.0025830000000000, -0.0024981400000000 ] - [ -0.0001840800000000, -0.0003736600000000, -0.0008903700000000 ] - [ -0.0007922900000000, -0.0008739700000000, 0.0011556600000000 ] - [ -0.0013211400000000, 0.0003588900000000, 0.0048495000000000 ] - [ 0.0000639300000000, 0.0004558900000000, -0.0000527600000000 ] - [ 0.0018103900000000, -0.0024999300000000, -0.0016618800000000 ] - [ 0.0000576600000000, 0.0012832100000000, 0.0012362300000000 ] - [ 0.0000545500000000, -0.0013602800000000, 0.0012348000000000 ] - [ 0.0001262000000000, 0.0000027600000000, -0.0017185600000000 ] - [ 0.0001288300000000, -0.0000803700000000, -0.0017234700000000 ] - [ 0.0002456800000000, -0.0000435900000000, 0.0035012300000000 ] - [ -0.0000907700000000, -0.0000385500000000, -0.0000515900000000 ] - [ 0.0003996500000000, -0.0000438400000000, -0.0024993500000000 ] - [ -0.0003550000000000, -0.0000377000000000, -0.0008340900000000 ] - [ 0.0108606100000000, 0.0001827300000000, -0.0282173700000000 ] - [ 0.0066002600000000, 0.0001584800000000, -0.0070499900000000 ] - [ 0.0061149200000000, 0.0001573400000000, -0.0059366700000000 ] - [ 0.0062020900000000, 0.0001580100000000, -0.0063403900000000 ] - [ -0.0083922700000000, 0.0042574900000000, 0.0089619500000000 ] - [ -0.0083835100000000, -0.0039479400000000, 0.0089646700000000 ] - [ -0.0063185800000000, -0.0002112000000000, 0.0064763900000000 ] - [ -0.0063170400000000, 0.0005227800000000, 0.0064787300000000 ] - [ -0.0061223600000000, -0.0004758500000000, 0.0062946300000000 ] - [ -0.0054069200000000, 0.0021991500000000, 0.0038387700000000 ] - [ -0.0063827500000000, 0.0001624500000000, 0.0071494000000000 ] - [ -0.0065914100000000, 0.0000828200000000, 0.0079267600000000 ] - [ 0.0060127700000000, -0.0013538900000000, -0.0059694400000000 ] - [ 0.0062420500000000, 0.0000595200000000, -0.0065084400000000 ] - [ 0.0054219200000000, 0.0004178000000000, -0.0060514900000000 ] - [ 0.0062484300000000, -0.0000975400000000, -0.0065063700000000 ] - [ 0.0057953400000000, 0.0001453400000000, -0.0066915400000000 ] - [ 0.0057516100000000, 0.0001607300000000, -0.0066618000000000 ] - [ 0.0059944000000000, 0.0000882000000000, -0.0064524900000000 ] - [ 0.0058046500000000, 0.0002281100000000, -0.0064750600000000 ] - [ -0.0058139700000000, 0.0001542700000000, 0.0066009000000000 ] - [ -0.0056350600000000, 0.0000769100000000, 0.0066931800000000 ] - [ -0.0058169200000000, 0.0000898400000000, 0.0064682000000000 ] - [ -0.0058647700000000, 0.0002381200000000, 0.0065154700000000 ] - [ -0.0058331200000000, -0.0002878000000000, 0.0064407100000000 ] - [ -0.0058357100000000, -0.0000768700000000, 0.0064429900000000 ] - [ -0.0058300800000000, -0.0002165300000000, 0.0066553400000000 ] - [ -0.0058186300000000, -0.0001351600000000, 0.0066493100000000 ] - [ 0.0059418100000000, -0.0001732300000000, -0.0065480100000000 ] - [ 0.0058222500000000, -0.0001761400000000, -0.0065397000000000 ] - [ 0.0057952900000000, -0.0001864700000000, -0.0065748700000000 ] - [ 0.0057642000000000, -0.0001734200000000, -0.0065564400000000 ] - [ -0.0059663700000000, -0.0001058400000000, 0.0065779100000000 ] - [ -0.0061332100000000, -0.0001815300000000, 0.0065027100000000 ] - [ -0.0061859600000000, -0.0002671300000000, 0.0064206300000000 ] - [ -0.0061425200000000, -0.0001166400000000, 0.0063663400000000 ] - [ 0.0060800900000000, -0.0001858200000000, -0.0065576300000000 ] - [ 0.0061253600000000, -0.0001763500000000, -0.0065812500000000 ] - [ 0.0061326400000000, -0.0002557500000000, -0.0063678800000000 ] - [ 0.0063161200000000, -0.0001169400000000, -0.0063601200000000 ] - [ 0.0061852800000000, 0.0001091100000000, -0.0064354500000000 ] - [ 0.0061901700000000, 0.0002964600000000, -0.0064356700000000 ] - [ 0.0060779100000000, 0.0001638900000000, -0.0064571500000000 ] - [ 0.0060655800000000, 0.0002517900000000, -0.0064548900000000 ] - [ -0.0066059700000000, 0.0002133000000000, 0.0065621300000000 ] - [ -0.0061186400000000, 0.0002076100000000, 0.0063708700000000 ] - [ -0.0061376800000000, 0.0001979000000000, 0.0066212600000000 ] - [ -0.0061573800000000, 0.0002099200000000, 0.0065100800000000 ] - [ -0.0068101100000000, -0.0001373800000000, 0.0078359800000000 ] - [ -0.0056390700000000, -0.0001452100000000, 0.0065699800000000 ] - [ -0.0045240000000000, -0.0001496600000000, 0.0168620600000000 ] - [ -0.0056981300000000, -0.0001409100000000, 0.0063674500000000 ] - [ 0.0067419900000000, 0.0000422900000000, -0.0073481200000000 ] - [ 0.0067448700000000, -0.0003266900000000, -0.0073527200000000 ] - [ 0.0054664000000000, -0.0008975100000000, -0.0056549300000000 ] - [ 0.0054617700000000, 0.0006127000000000, -0.0056543300000000 ] - [ 0.0057090200000000, -0.0000734200000000, -0.0063155300000000 ] - [ 0.0054763400000000, 0.0013363900000000, -0.0057736100000000 ] - [ 0.0057112000000000, 0.0000829700000000, -0.0063157000000000 ] - [ 0.0048720900000000, -0.0004448400000000, -0.0058443600000000 ] - [ -0.0048723400000000, -0.0022124600000000, 0.0036535300000000 ] - [ -0.0055838900000000, 0.0004622000000000, 0.0061018400000000 ] - [ -0.0060572700000000, -0.0000994200000000, 0.0077417600000000 ] - [ -0.0058450300000000, -0.0001790100000000, 0.0069610600000000 ]- atom: 33 displacement: [ 0.0018982353749662, 0.0000000000000000, -0.0098181822381349 ] forces: - [ 0.0002040600000000, -0.0000828400000000, 0.0004149300000000 ] - [ 0.0001890700000000, -0.0000837200000000, 0.0005419100000000 ] - [ 0.0004920400000000, -0.0000819800000000, 0.0007739300000000 ] - [ 0.0002539000000000, -0.0000825200000000, 0.0006697100000000 ] - [ -0.0003380900000000, -0.0001291000000000, -0.0007617800000000 ] - [ -0.0003367000000000, -0.0000361300000000, -0.0007627900000000 ] - [ -0.0001742500000000, -0.0003654800000000, -0.0005126300000000 ] - [ -0.0001742200000000, 0.0001984700000000, -0.0005116200000000 ] - [ -0.0002863000000000, -0.0000636000000000, -0.0008055900000000 ] - [ -0.0002853600000000, 0.0003614600000000, -0.0008083900000000 ] - [ -0.0003140000000000, 0.0000563000000000, -0.0004185200000000 ] - [ -0.0002425400000000, 0.0001721500000000, -0.0002394300000000 ] - [ 0.0002548600000000, -0.0001967500000000, 0.0003541900000000 ] - [ 0.0002544700000000, 0.0002309500000000, 0.0003571200000000 ] - [ 0.0002974800000000, -0.0000074600000000, 0.0009244300000000 ] - [ 0.0002276000000000, 0.0001102400000000, 0.0007459600000000 ] - [ 0.0012123200000000, 0.0004650700000000, -0.0048088800000000 ] - [ 0.0007973700000000, -0.0008903000000000, -0.0011608300000000 ] - [ -0.0018283400000000, -0.0025280900000000, 0.0016777700000000 ] - [ -0.0000622200000000, 0.0004569900000000, 0.0000570200000000 ] - [ 0.0010430200000000, 0.0009643400000000, -0.0003224400000000 ] - [ 0.0014944600000000, -0.0003693800000000, -0.0039914500000000 ] - [ 0.0001861600000000, -0.0003805100000000, 0.0008925100000000 ] - [ -0.0015762100000000, 0.0026028000000000, 0.0025142100000000 ] - [ 0.0001930400000000, -0.0013696400000000, -0.0004099700000000 ] - [ 0.0001932500000000, 0.0012888600000000, -0.0004098000000000 ] - [ 0.0001321200000000, -0.0000867700000000, 0.0025741400000000 ] - [ 0.0001291700000000, 0.0000072400000000, 0.0025779100000000 ] - [ -0.0006600900000000, -0.0000382700000000, -0.0046975000000000 ] - [ -0.0001575100000000, -0.0000395400000000, -0.0007903500000000 ] - [ -0.0006497800000000, -0.0000379900000000, 0.0016784300000000 ] - [ 0.0001097600000000, -0.0000406700000000, 0.0000031800000000 ] - [ 0.0020722400000000, 0.0001289300000000, 0.0153634800000000 ] - [ 0.0059303400000000, 0.0001587100000000, -0.0062074400000000 ] - [ 0.0064212500000000, 0.0001564300000000, -0.0073298700000000 ] - [ 0.0063358300000000, 0.0001605400000000, -0.0069214300000000 ] - [ -0.0041282100000000, -0.0039660700000000, 0.0042886200000000 ] - [ -0.0041360900000000, 0.0042885000000000, 0.0042867700000000 ] - [ -0.0062191200000000, 0.0005271700000000, 0.0067885500000000 ] - [ -0.0062185600000000, -0.0002117200000000, 0.0067893800000000 ] - [ -0.0064175900000000, 0.0001646300000000, 0.0069756300000000 ] - [ -0.0071346200000000, -0.0025282400000000, 0.0094359300000000 ] - [ -0.0061550400000000, -0.0004802800000000, 0.0061070400000000 ] - [ -0.0059379700000000, -0.0004043500000000, 0.0053245000000000 ] - [ 0.0065179900000000, 0.0010476000000000, -0.0073245400000000 ] - [ 0.0062909200000000, -0.0003749500000000, -0.0067575000000000 ] - [ 0.0070919100000000, -0.0006970600000000, -0.0071882700000000 ] - [ 0.0062827900000000, -0.0002138700000000, -0.0067624000000000 ] - [ 0.0058602800000000, 0.0002042600000000, -0.0064371000000000 ] - [ 0.0059035100000000, 0.0001902500000000, -0.0064563400000000 ] - [ 0.0056635100000000, 0.0002626200000000, -0.0066667600000000 ] - [ 0.0058558600000000, 0.0001300400000000, -0.0066532800000000 ] - [ -0.0058429000000000, 0.0002105000000000, 0.0065199600000000 ] - [ -0.0060216500000000, 0.0002827800000000, 0.0064298200000000 ] - [ -0.0058474300000000, 0.0002683900000000, 0.0066570200000000 ] - [ -0.0057924200000000, 0.0001202600000000, 0.0066041400000000 ] - [ -0.0058250000000000, -0.0000754400000000, 0.0066768800000000 ] - [ -0.0058271500000000, -0.0002840500000000, 0.0066808600000000 ] - [ -0.0058342300000000, -0.0001371200000000, 0.0064651800000000 ] - [ -0.0058345500000000, -0.0002202100000000, 0.0064689500000000 ] - [ 0.0057111600000000, -0.0001747400000000, -0.0065784800000000 ] - [ 0.0058389200000000, -0.0001778400000000, -0.0065775400000000 ] - [ 0.0058594600000000, -0.0001778500000000, -0.0065507100000000 ] - [ 0.0058873200000000, -0.0001779600000000, -0.0065737700000000 ] - [ -0.0063477700000000, -0.0003118300000000, 0.0063302200000000 ] - [ -0.0061681500000000, -0.0002367300000000, 0.0064148500000000 ] - [ -0.0061171400000000, -0.0001515500000000, 0.0065065100000000 ] - [ -0.0061703700000000, -0.0002935900000000, 0.0065517000000000 ] - [ 0.0062293700000000, -0.0002150700000000, -0.0063541300000000 ] - [ 0.0061850300000000, -0.0002354400000000, -0.0063291100000000 ] - [ 0.0061840300000000, -0.0001552800000000, -0.0065514100000000 ] - [ 0.0059894400000000, -0.0002935600000000, -0.0065606800000000 ] - [ 0.0061211400000000, 0.0002974000000000, -0.0064762600000000 ] - [ 0.0061225100000000, 0.0001120300000000, -0.0064812100000000 ] - [ 0.0062375200000000, 0.0002520900000000, -0.0064568300000000 ] - [ 0.0062380500000000, 0.0001594800000000, -0.0064594400000000 ] - [ -0.0056909700000000, 0.0002091800000000, 0.0063530200000000 ] - [ -0.0061908900000000, 0.0002060600000000, 0.0065514400000000 ] - [ -0.0061709000000000, 0.0002073800000000, 0.0062962400000000 ] - [ -0.0061507800000000, 0.0002063400000000, 0.0063994200000000 ] - [ -0.0046835400000000, -0.0001491500000000, 0.0050469100000000 ] - [ -0.0058189000000000, -0.0001388700000000, 0.0063017600000000 ] - [ -0.0069492800000000, -0.0001352200000000, -0.0040880700000000 ] - [ -0.0057639500000000, -0.0001395000000000, 0.0065147400000000 ] - [ 0.0047235300000000, -0.0003246400000000, -0.0055253300000000 ] - [ 0.0047176200000000, 0.0000408300000000, -0.0055244000000000 ] - [ 0.0059978500000000, 0.0006190000000000, -0.0072348200000000 ] - [ 0.0059980700000000, -0.0009061100000000, -0.0072366600000000 ] - [ 0.0057563300000000, 0.0003618900000000, -0.0065649500000000 ] - [ 0.0059790900000000, -0.0010653700000000, -0.0071365800000000 ] - [ 0.0057464100000000, 0.0002000300000000, -0.0065710300000000 ] - [ 0.0065598800000000, 0.0006902800000000, -0.0070130600000000 ] - [ -0.0065947700000000, 0.0025069000000000, 0.0092412100000000 ] - [ -0.0058785000000000, -0.0001767800000000, 0.0067852500000000 ] - [ -0.0054019400000000, 0.0003871500000000, 0.0051310100000000 ] - [ -0.0056173400000000, 0.0004686500000000, 0.0059170300000000 ]- atom: 49 displacement: [ 0.0099988104925089, 0.0000000000000000, 0.0001542359714647 ] forces: - [ 0.0116695200000000, 0.0074701600000000, -0.0025216100000000 ] - [ 0.0013550900000000, 0.0004615500000000, -0.0000517600000000 ] - [ 0.0008200000000000, -0.0003901300000000, 0.0011252800000000 ] - [ 0.0002609100000000, -0.0001110800000000, 0.0007174600000000 ] - [ 0.0110566000000000, -0.0075914800000000, -0.0036716500000000 ] - [ 0.0008223700000000, -0.0006352100000000, -0.0012193000000000 ] - [ 0.0002800400000000, 0.0002261000000000, -0.0000393700000000 ] - [ -0.0002793100000000, -0.0000553800000000, -0.0004449900000000 ] - [ 0.0002022100000000, -0.0002213200000000, -0.0005921300000000 ] - [ 0.0002034800000000, 0.0003845100000000, -0.0005929200000000 ] - [ 0.0004390200000000, -0.0003121300000000, 0.0006190900000000 ] - [ 0.0004421800000000, 0.0004796800000000, 0.0006263000000000 ] - [ 0.0088641700000000, 0.0000840500000000, 0.0105546000000000 ] - [ 0.0002545800000000, 0.0000822600000000, 0.0004605400000000 ] - [ 0.0006971300000000, 0.0000839800000000, 0.0009728100000000 ] - [ 0.0003014300000000, 0.0000812700000000, 0.0007064400000000 ] - [ -0.0007988800000000, 0.0000411800000000, -0.0005419300000000 ] - [ -0.0001661400000000, 0.0000392700000000, -0.0004094400000000 ] - [ -0.0001524400000000, 0.0000393900000000, -0.0004476900000000 ] - [ -0.0000982700000000, 0.0000392000000000, -0.0003775000000000 ] - [ -0.0002180100000000, -0.0004290600000000, 0.0005862000000000 ] - [ -0.0002155800000000, 0.0005070700000000, 0.0005856900000000 ] - [ 0.0001253900000000, -0.0000602500000000, 0.0004556100000000 ] - [ 0.0001287200000000, 0.0001396200000000, 0.0004543400000000 ] - [ -0.0001702500000000, -0.0005136400000000, 0.0005559400000000 ] - [ 0.0001120500000000, 0.0000983500000000, 0.0004043000000000 ] - [ -0.0000370200000000, -0.0001034500000000, -0.0000983800000000 ] - [ 0.0000974300000000, 0.0000210700000000, 0.0004201000000000 ] - [ -0.0004197500000000, 0.0004348200000000, -0.0002799700000000 ] - [ -0.0001362300000000, -0.0001771700000000, -0.0004310200000000 ] - [ -0.0002859900000000, 0.0000243500000000, -0.0009343600000000 ] - [ -0.0001521700000000, -0.0001007100000000, -0.0004174800000000 ] - [ 0.0064015600000000, 0.0000422500000000, -0.0066419600000000 ] - [ 0.0064022400000000, 0.0003145900000000, -0.0066808900000000 ] - [ 0.0063189000000000, 0.0001328800000000, -0.0064466200000000 ] - [ 0.0062850500000000, 0.0001988200000000, -0.0066506000000000 ] - [ -0.0055575200000000, 0.0005276100000000, 0.0069652400000000 ] - [ -0.0062678500000000, 0.0001083800000000, 0.0066415300000000 ] - [ -0.0062534900000000, 0.0001751900000000, 0.0065947000000000 ] - [ -0.0062764400000000, 0.0001402100000000, 0.0066458800000000 ] - [ -0.0062564800000000, -0.0000863300000000, 0.0066347900000000 ] - [ -0.0062558600000000, -0.0002252000000000, 0.0066274900000000 ] - [ -0.0062740800000000, -0.0000955200000000, 0.0066327600000000 ] - [ -0.0062747800000000, -0.0002160800000000, 0.0066362600000000 ] - [ 0.0063447500000000, -0.0001630200000000, -0.0066466600000000 ] - [ 0.0062973400000000, -0.0001567300000000, -0.0066857600000000 ] - [ 0.0063419700000000, -0.0001586200000000, -0.0064967100000000 ] - [ 0.0062978500000000, -0.0001607700000000, -0.0066370100000000 ] - [ -0.0302345200000000, 0.0001344400000000, -0.0094900100000000 ] - [ 0.0054737800000000, 0.0001801400000000, -0.0062951000000000 ] - [ 0.0057567100000000, 0.0001772700000000, -0.0067191700000000 ] - [ 0.0058301800000000, 0.0001791700000000, -0.0066232400000000 ] - [ -0.0038014300000000, -0.0031773900000000, 0.0048290600000000 ] - [ -0.0037994700000000, 0.0035575500000000, 0.0048175700000000 ] - [ -0.0058564000000000, 0.0001951500000000, 0.0065003000000000 ] - [ -0.0058558800000000, 0.0001602800000000, 0.0065010300000000 ] - [ -0.0055274400000000, -0.0003376100000000, 0.0074374800000000 ] - [ -0.0059228400000000, -0.0002772000000000, 0.0066871000000000 ] - [ -0.0059128600000000, -0.0000834200000000, 0.0062288800000000 ] - [ -0.0058702000000000, -0.0001961600000000, 0.0064423900000000 ] - [ 0.0048338100000000, 0.0000928300000000, -0.0076021700000000 ] - [ 0.0057906700000000, -0.0001828400000000, -0.0065812000000000 ] - [ 0.0048275100000000, -0.0009097400000000, -0.0070030600000000 ] - [ 0.0057896100000000, -0.0002081000000000, -0.0065899800000000 ] - [ -0.0052248700000000, -0.0002146700000000, 0.0055977000000000 ] - [ -0.0063456400000000, -0.0002045700000000, 0.0065160200000000 ] - [ -0.0056169700000000, -0.0002076100000000, 0.0079870700000000 ] - [ -0.0061559900000000, -0.0002048300000000, 0.0064881100000000 ] - [ 0.0046435700000000, 0.0000700200000000, -0.0057397000000000 ] - [ 0.0046354400000000, -0.0004894300000000, -0.0057389800000000 ] - [ 0.0059897000000000, -0.0002255600000000, -0.0067460900000000 ] - [ 0.0059899400000000, -0.0001875700000000, -0.0067457200000000 ] - [ 0.0051538200000000, -0.0000655000000000, -0.0075006400000000 ] - [ 0.0061162000000000, 0.0002129600000000, -0.0064795700000000 ] - [ 0.0051574300000000, 0.0009353800000000, -0.0068970100000000 ] - [ 0.0061145000000000, 0.0002372500000000, -0.0064876400000000 ] - [ -0.0058531200000000, 0.0003623700000000, 0.0073426600000000 ] - [ -0.0062468900000000, 0.0003064200000000, 0.0065845500000000 ] - [ -0.0062383200000000, 0.0001111700000000, 0.0061267600000000 ] - [ -0.0061964100000000, 0.0002243900000000, 0.0063382500000000 ] - [ -0.0050227300000000, -0.0005094400000000, 0.0067769600000000 ] - [ -0.0057287800000000, -0.0000956600000000, 0.0064519600000000 ] - [ -0.0057149000000000, -0.0001626400000000, 0.0064089000000000 ] - [ -0.0057381400000000, -0.0001222800000000, 0.0064529500000000 ] - [ 0.0058632500000000, -0.0000249200000000, -0.0064435300000000 ] - [ 0.0058672500000000, -0.0003009500000000, -0.0064934200000000 ] - [ 0.0057836200000000, -0.0001194300000000, -0.0062555900000000 ] - [ 0.0057468800000000, -0.0001815400000000, -0.0064565200000000 ] - [ 0.0058196500000000, 0.0003328800000000, -0.0065068900000000 ] - [ 0.0058140700000000, -0.0000441500000000, -0.0065059500000000 ] - [ 0.0058132000000000, 0.0002341900000000, -0.0063957100000000 ] - [ 0.0058134800000000, 0.0000543700000000, -0.0063920000000000 ] - [ -0.0048196600000000, 0.0001353700000000, 0.0061429700000000 ] - [ -0.0057562500000000, 0.0001444600000000, 0.0064702000000000 ] - [ -0.0057169400000000, 0.0001399000000000, 0.0064600400000000 ] - [ -0.0057430800000000, 0.0001406900000000, 0.0064343200000000 ]- atom: 49 displacement: [ -0.0099988104925089, 0.0000000000000000, -0.0001542359714647 ] forces: - [ -0.0112974400000000, -0.0079165400000000, 0.0038074200000000 ] - [ -0.0008111700000000, -0.0006261300000000, 0.0012121700000000 ] - [ -0.0002682400000000, 0.0002115200000000, 0.0000377300000000 ] - [ 0.0002782600000000, -0.0000524100000000, 0.0004462100000000 ] - [ -0.0117651200000000, 0.0077045700000000, 0.0026311900000000 ] - [ -0.0013595500000000, 0.0004686300000000, 0.0000537800000000 ] - [ -0.0008109100000000, -0.0003785000000000, -0.0011242900000000 ] - [ -0.0002606200000000, -0.0001126100000000, -0.0007181900000000 ] - [ -0.0007373100000000, 0.0003948100000000, -0.0005729200000000 ] - [ -0.0007392600000000, -0.0002272400000000, -0.0005719900000000 ] - [ -0.0009785900000000, 0.0004779800000000, -0.0017812800000000 ] - [ -0.0009818200000000, -0.0003140800000000, -0.0017888500000000 ] - [ -0.0083162400000000, 0.0000815500000000, -0.0095734600000000 ] - [ 0.0002858700000000, 0.0000841900000000, 0.0007023500000000 ] - [ -0.0001565000000000, 0.0000813000000000, 0.0001952400000000 ] - [ 0.0002383700000000, 0.0000852400000000, 0.0004558200000000 ] - [ 0.0005433200000000, 0.0000387400000000, -0.0002955600000000 ] - [ -0.0000841400000000, 0.0000405100000000, -0.0004272900000000 ] - [ -0.0000988600000000, 0.0000398800000000, -0.0003888500000000 ] - [ -0.0001495400000000, 0.0000398100000000, -0.0004582200000000 ] - [ 0.0004613400000000, 0.0005029600000000, 0.0002538900000000 ] - [ 0.0004610800000000, -0.0004228700000000, 0.0002536400000000 ] - [ 0.0001209100000000, 0.0001393100000000, 0.0003812900000000 ] - [ 0.0001211600000000, -0.0000605300000000, 0.0003822800000000 ] - [ 0.0004150300000000, 0.0004263900000000, 0.0002836400000000 ] - [ 0.0001371300000000, -0.0001752500000000, 0.0004315800000000 ] - [ 0.0002854800000000, 0.0000240600000000, 0.0009253100000000 ] - [ 0.0001530900000000, -0.0000991500000000, 0.0004148600000000 ] - [ 0.0001669100000000, -0.0005062100000000, -0.0005528700000000 ] - [ -0.0001122600000000, 0.0000955600000000, -0.0004051200000000 ] - [ 0.0000359900000000, -0.0001024200000000, 0.0000893000000000 ] - [ -0.0000957400000000, 0.0000196900000000, -0.0004209200000000 ] - [ 0.0061307100000000, 0.0002718100000000, -0.0066262500000000 ] - [ 0.0061303000000000, 0.0000036800000000, -0.0065822500000000 ] - [ 0.0062151700000000, 0.0001772300000000, -0.0068107300000000 ] - [ 0.0062492800000000, 0.0001211800000000, -0.0066119500000000 ] - [ -0.0069583400000000, -0.0001986400000000, 0.0063061000000000 ] - [ -0.0062646800000000, 0.0002043800000000, 0.0066180200000000 ] - [ -0.0062806100000000, 0.0001393000000000, 0.0066669700000000 ] - [ -0.0062533900000000, 0.0001754100000000, 0.0066196700000000 ] - [ -0.0062766000000000, -0.0002241400000000, 0.0066329000000000 ] - [ -0.0062779500000000, -0.0000900100000000, 0.0066323600000000 ] - [ -0.0062593500000000, -0.0002170600000000, 0.0066279400000000 ] - [ -0.0062592400000000, -0.0000980700000000, 0.0066316700000000 ] - [ 0.0061893900000000, -0.0001585400000000, -0.0066164400000000 ] - [ 0.0062374900000000, -0.0001573100000000, -0.0065789600000000 ] - [ 0.0061865800000000, -0.0001571700000000, -0.0067679200000000 ] - [ 0.0062366400000000, -0.0001585700000000, -0.0066296500000000 ] - [ 0.0422446800000000, 0.0002222700000000, -0.0037186900000000 ] - [ 0.0061825500000000, 0.0001754700000000, -0.0068254600000000 ] - [ 0.0058965200000000, 0.0001782700000000, -0.0064034000000000 ] - [ 0.0058184600000000, 0.0001788100000000, -0.0064994100000000 ] - [ -0.0078585200000000, 0.0035307600000000, 0.0082935300000000 ] - [ -0.0078578400000000, -0.0031967200000000, 0.0083033200000000 ] - [ -0.0057979600000000, 0.0001607200000000, 0.0066207100000000 ] - [ -0.0057992100000000, 0.0001945300000000, 0.0066217800000000 ] - [ -0.0061513900000000, -0.0000076900000000, 0.0056667100000000 ] - [ -0.0057348400000000, -0.0000795900000000, 0.0064345400000000 ] - [ -0.0057402100000000, -0.0002726600000000, 0.0068958400000000 ] - [ -0.0057815900000000, -0.0001624000000000, 0.0066832100000000 ] - [ 0.0068147700000000, -0.0004496300000000, -0.0055278800000000 ] - [ 0.0058649900000000, -0.0001723100000000, -0.0065413100000000 ] - [ 0.0068259300000000, 0.0005568300000000, -0.0061192500000000 ] - [ 0.0058656700000000, -0.0001467200000000, -0.0065348200000000 ] - [ -0.0071305700000000, -0.0001973200000000, 0.0073468600000000 ] - [ -0.0059532800000000, -0.0002095400000000, 0.0064026900000000 ] - [ -0.0066855600000000, -0.0002048900000000, 0.0049814800000000 ] - [ -0.0061486400000000, -0.0002053400000000, 0.0064282600000000 ] - [ 0.0076650200000000, -0.0004735500000000, -0.0071798800000000 ] - [ 0.0076729200000000, 0.0000698700000000, -0.0071834100000000 ] - [ 0.0063128400000000, -0.0001890500000000, -0.0061723700000000 ] - [ 0.0063126000000000, -0.0002235900000000, -0.0061686300000000 ] - [ 0.0071400400000000, 0.0004761000000000, -0.0054243600000000 ] - [ 0.0061878100000000, 0.0002004200000000, -0.0064395300000000 ] - [ 0.0071471300000000, -0.0005257000000000, -0.0060188700000000 ] - [ 0.0061907200000000, 0.0001730500000000, -0.0064306300000000 ] - [ -0.0064747400000000, 0.0000378200000000, 0.0055554800000000 ] - [ -0.0060603100000000, 0.0001078900000000, 0.0063342600000000 ] - [ -0.0060638500000000, 0.0003024200000000, 0.0067927400000000 ] - [ -0.0061088200000000, 0.0001885200000000, 0.0065776700000000 ] - [ -0.0064181100000000, 0.0002141200000000, 0.0061137900000000 ] - [ -0.0057274100000000, -0.0001890200000000, 0.0064280600000000 ] - [ -0.0057429200000000, -0.0001264300000000, 0.0064759400000000 ] - [ -0.0057186700000000, -0.0001574600000000, 0.0064294100000000 ] - [ 0.0055937200000000, -0.0002566000000000, -0.0064344300000000 ] - [ 0.0055917500000000, 0.0000116300000000, -0.0063917100000000 ] - [ 0.0056809100000000, -0.0001642400000000, -0.0066211800000000 ] - [ 0.0057118700000000, -0.0001034100000000, -0.0064181300000000 ] - [ 0.0056446900000000, -0.0000402200000000, -0.0063745600000000 ] - [ 0.0056440600000000, 0.0003251800000000, -0.0063777900000000 ] - [ 0.0056441700000000, 0.0000546800000000, -0.0064891700000000 ] - [ 0.0056458100000000, 0.0002298700000000, -0.0064901500000000 ] - [ -0.0066109700000000, 0.0001425100000000, 0.0067273300000000 ] - [ -0.0057028300000000, 0.0001420200000000, 0.0064112700000000 ] - [ -0.0057404400000000, 0.0001424000000000, 0.0064215800000000 ] - [ -0.0057169400000000, 0.0001417000000000, 0.0064491200000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0011852500000000, 0.0041187000000000, 0.0012212100000000 ] - [ -0.0008035500000000, -0.0034011100000000, 0.0011423600000000 ] - [ 0.0001202400000000, 0.0005314500000000, 0.0004533500000000 ] - [ 0.0002071600000000, -0.0006567300000000, 0.0003406800000000 ] - [ -0.0013219500000000, 0.0042792600000000, -0.0011400800000000 ] - [ 0.0008005500000000, -0.0033954200000000, -0.0011381200000000 ] - [ -0.0001051600000000, 0.0005485800000000, -0.0004628100000000 ] - [ -0.0002069800000000, -0.0006597200000000, -0.0003446200000000 ] - [ -0.0005489700000000, -0.0005928100000000, 0.0004940500000000 ] - [ 0.0000062500000000, -0.0005974500000000, -0.0016567900000000 ] - [ -0.0009445800000000, -0.0002126600000000, -0.0033127300000000 ] - [ 0.0004009900000000, -0.0002101300000000, 0.0021340400000000 ] - [ 0.0002681300000000, 0.0053132200000000, 0.0005744700000000 ] - [ 0.0002720500000000, -0.0009383700000000, 0.0005833400000000 ] - [ 0.0002661000000000, 0.0019268600000000, 0.0005790400000000 ] - [ 0.0002706700000000, -0.0012513900000000, 0.0005836000000000 ] - [ -0.0001226600000000, 0.0006073800000000, -0.0004170700000000 ] - [ -0.0001242000000000, -0.0004967600000000, -0.0004181400000000 ] - [ -0.0001254400000000, 0.0002954700000000, -0.0004182300000000 ] - [ -0.0001243700000000, -0.0002346200000000, -0.0004188200000000 ] - [ 0.0002460000000000, -0.0000040700000000, 0.0005243500000000 ] - [ 0.0000044700000000, -0.0000071800000000, 0.0003126700000000 ] - [ 0.0001369000000000, 0.0000461500000000, 0.0004233400000000 ] - [ 0.0001119100000000, 0.0000450000000000, 0.0004118000000000 ] - [ 0.0001801800000000, 0.0002336900000000, 0.0005209700000000 ] - [ 0.0000763500000000, -0.0002854000000000, 0.0002594000000000 ] - [ 0.0001732700000000, 0.0003378900000000, 0.0002277600000000 ] - [ 0.0000781800000000, -0.0003839400000000, 0.0004784200000000 ] - [ -0.0001796700000000, 0.0002299100000000, -0.0005198700000000 ] - [ -0.0000753000000000, -0.0002836100000000, -0.0002586600000000 ] - [ -0.0001719500000000, 0.0003364200000000, -0.0002288100000000 ] - [ -0.0000754000000000, -0.0003836800000000, -0.0004791500000000 ] - [ 0.0063795300000000, 0.0000416200000000, -0.0066393100000000 ] - [ 0.0061117600000000, 0.0002978000000000, -0.0066710200000000 ] - [ 0.0062895700000000, 0.0000878600000000, -0.0067123400000000 ] - [ 0.0062307800000000, 0.0002295200000000, -0.0065864800000000 ] - [ -0.0059034600000000, 0.0001910700000000, 0.0068104800000000 ] - [ -0.0063166700000000, 0.0003031300000000, 0.0066538300000000 ] - [ -0.0062464700000000, 0.0000789300000000, 0.0065792500000000 ] - [ -0.0062841800000000, 0.0002335400000000, 0.0067209300000000 ] - [ -0.0061982600000000, -0.0001670500000000, 0.0065405800000000 ] - [ -0.0063367700000000, -0.0001661100000000, 0.0067210700000000 ] - [ -0.0062064600000000, -0.0001395000000000, 0.0065989500000000 ] - [ -0.0063269600000000, -0.0001416300000000, 0.0066628200000000 ] - [ 0.0062645100000000, -0.0003005000000000, -0.0066335700000000 ] - [ 0.0062671700000000, -0.0000060800000000, -0.0066327300000000 ] - [ 0.0062667300000000, -0.0002987100000000, -0.0066329800000000 ] - [ 0.0062659100000000, -0.0000088400000000, -0.0066308900000000 ] - [ 0.0060422900000000, -0.0220775600000000, -0.0066561900000000 ] - [ 0.0058331800000000, 0.0014082500000000, -0.0065623900000000 ] - [ 0.0058301000000000, -0.0002109500000000, -0.0065578000000000 ] - [ 0.0058298400000000, 0.0004952200000000, -0.0065605400000000 ] - [ -0.0092775900000000, 0.0078081500000000, 0.0101023900000000 ] - [ -0.0024324900000000, 0.0077524000000000, 0.0030452600000000 ] - [ -0.0058095000000000, 0.0002887400000000, 0.0061886700000000 ] - [ -0.0058528800000000, 0.0002887800000000, 0.0069330400000000 ] - [ -0.0059679800000000, -0.0004193600000000, 0.0041240600000000 ] - [ -0.0059334200000000, 0.0001711200000000, 0.0068656400000000 ] - [ -0.0057328300000000, -0.0007550800000000, 0.0063310500000000 ] - [ -0.0058401600000000, 0.0005974900000000, 0.0062298100000000 ] - [ 0.0065528900000000, -0.0007265400000000, -0.0058560600000000 ] - [ 0.0058628800000000, 0.0003017800000000, -0.0064942800000000 ] - [ 0.0055790400000000, -0.0007299500000000, -0.0078387300000000 ] - [ 0.0058317800000000, 0.0003005300000000, -0.0063411600000000 ] - [ -0.0061624800000000, -0.0045746900000000, 0.0064619400000000 ] - [ -0.0061535400000000, 0.0016808200000000, 0.0064571000000000 ] - [ -0.0061523800000000, -0.0003590200000000, 0.0064925300000000 ] - [ -0.0061556500000000, 0.0001179500000000, 0.0064570300000000 ] - [ 0.0058783600000000, 0.0011103800000000, -0.0066926500000000 ] - [ 0.0064214200000000, 0.0010916700000000, -0.0062175300000000 ] - [ 0.0061611600000000, -0.0002437500000000, -0.0056824000000000 ] - [ 0.0061495400000000, -0.0002428500000000, -0.0072276200000000 ] - [ 0.0054307200000000, -0.0003416900000000, -0.0071827800000000 ] - [ 0.0061243300000000, 0.0006847400000000, -0.0065232600000000 ] - [ 0.0064087200000000, -0.0003442700000000, -0.0051786800000000 ] - [ 0.0061541600000000, 0.0006836500000000, -0.0066789700000000 ] - [ -0.0060382000000000, -0.0000388600000000, 0.0088748500000000 ] - [ -0.0060529600000000, 0.0005552200000000, 0.0061514300000000 ] - [ -0.0062544100000000, -0.0003716300000000, 0.0066926900000000 ] - [ -0.0061458300000000, 0.0009841100000000, 0.0067914900000000 ] - [ -0.0060857100000000, -0.0001115500000000, 0.0062647800000000 ] - [ -0.0056814900000000, 0.0000034100000000, 0.0064178000000000 ] - [ -0.0057477300000000, -0.0002162600000000, 0.0064938500000000 ] - [ -0.0057130100000000, -0.0000635900000000, 0.0063507500000000 ] - [ 0.0056157100000000, -0.0002596600000000, -0.0064345900000000 ] - [ 0.0058840000000000, -0.0000024300000000, -0.0064013500000000 ] - [ 0.0057067800000000, -0.0002164900000000, -0.0063574400000000 ] - [ 0.0057664900000000, -0.0000728100000000, -0.0064850100000000 ] - [ 0.0056428600000000, 0.0001273400000000, -0.0064106800000000 ] - [ 0.0058171300000000, 0.0001293600000000, -0.0064695700000000 ] - [ 0.0055436700000000, 0.0001290500000000, -0.0063835800000000 ] - [ 0.0059129000000000, 0.0001278500000000, -0.0064979700000000 ] - [ -0.0057309500000000, -0.0000602500000000, 0.0064404200000000 ] - [ -0.0057314000000000, 0.0002865100000000, 0.0064402200000000 ] - [ -0.0057287900000000, -0.0001039300000000, 0.0064443300000000 ] - [ -0.0057298200000000, 0.0003286900000000, 0.0064405600000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008412300000000, -0.0044892800000000, 0.0000413500000000 ] - [ 0.0013411500000000, 0.0032251700000000, 0.0000226900000000 ] - [ 0.0004386400000000, -0.0007192300000000, 0.0007010500000000 ] - [ 0.0003304200000000, 0.0004929600000000, 0.0008198000000000 ] - [ 0.0005875400000000, -0.0042406900000000, 0.0000744700000000 ] - [ -0.0013417300000000, 0.0032386000000000, -0.0000194100000000 ] - [ -0.0004194800000000, -0.0006915700000000, -0.0007133400000000 ] - [ -0.0003321000000000, 0.0004887500000000, -0.0008232100000000 ] - [ 0.0000082300000000, 0.0007667600000000, -0.0016503700000000 ] - [ -0.0005482300000000, 0.0007534600000000, 0.0004991200000000 ] - [ 0.0004004100000000, 0.0003807000000000, 0.0021345500000000 ] - [ -0.0009416100000000, 0.0003738500000000, -0.0033172500000000 ] - [ 0.0002540900000000, -0.0051464000000000, 0.0005581000000000 ] - [ 0.0002693100000000, 0.0011037000000000, 0.0005841200000000 ] - [ 0.0002699300000000, -0.0017589800000000, 0.0005770900000000 ] - [ 0.0002684600000000, 0.0014186900000000, 0.0005752100000000 ] - [ -0.0001203200000000, -0.0005276400000000, -0.0004173600000000 ] - [ -0.0001249300000000, 0.0005765400000000, -0.0004167200000000 ] - [ -0.0001263200000000, -0.0002148700000000, -0.0004194000000000 ] - [ -0.0001242100000000, 0.0003136400000000, -0.0004196400000000 ] - [ 0.0000011800000000, 0.0000866100000000, 0.0003132900000000 ] - [ 0.0002461800000000, 0.0000807900000000, 0.0005236600000000 ] - [ 0.0001100700000000, 0.0000352100000000, 0.0004128100000000 ] - [ 0.0001382600000000, 0.0000333100000000, 0.0004236300000000 ] - [ 0.0000725900000000, -0.0003060200000000, 0.0003150400000000 ] - [ 0.0001721400000000, 0.0002043300000000, 0.0005756600000000 ] - [ 0.0000767100000000, -0.0004155800000000, 0.0006084500000000 ] - [ 0.0001751400000000, 0.0003045100000000, 0.0003561000000000 ] - [ -0.0000681800000000, -0.0003150900000000, -0.0003162900000000 ] - [ -0.0001741200000000, 0.0002050700000000, -0.0005788000000000 ] - [ -0.0000772000000000, -0.0004184600000000, -0.0006054600000000 ] - [ -0.0001693800000000, 0.0003042600000000, -0.0003573300000000 ] - [ 0.0061692100000000, 0.0002753800000000, -0.0066243500000000 ] - [ 0.0064359400000000, 0.0000160800000000, -0.0065860700000000 ] - [ 0.0062590000000000, 0.0002287400000000, -0.0065413200000000 ] - [ 0.0063216200000000, 0.0000873800000000, -0.0066704600000000 ] - [ -0.0066357000000000, 0.0001302600000000, 0.0064583100000000 ] - [ -0.0062306400000000, 0.0000100100000000, 0.0066073700000000 ] - [ -0.0063008100000000, 0.0002312700000000, 0.0066857300000000 ] - [ -0.0062668100000000, 0.0000824500000000, 0.0065397700000000 ] - [ -0.0063499800000000, -0.0001530900000000, 0.0067208600000000 ] - [ -0.0062156600000000, -0.0001479500000000, 0.0065347000000000 ] - [ -0.0063428900000000, -0.0001806000000000, 0.0066560000000000 ] - [ -0.0062226500000000, -0.0001788100000000, 0.0066003400000000 ] - [ 0.0062765600000000, -0.0000136000000000, -0.0066275200000000 ] - [ 0.0062846500000000, -0.0003062700000000, -0.0066292500000000 ] - [ 0.0062822000000000, -0.0000082500000000, -0.0066281500000000 ] - [ 0.0062828100000000, -0.0003032800000000, -0.0066315700000000 ] - [ 0.0061306800000000, 0.0224287200000000, -0.0066881400000000 ] - [ 0.0058417900000000, -0.0010540700000000, -0.0065639600000000 ] - [ 0.0058386300000000, 0.0005683400000000, -0.0065553000000000 ] - [ 0.0058410300000000, -0.0001377500000000, -0.0065597700000000 ] - [ -0.0024185400000000, -0.0073967900000000, 0.0030470500000000 ] - [ -0.0092633000000000, -0.0074470200000000, 0.0100975800000000 ] - [ -0.0058631100000000, 0.0000643400000000, 0.0069293800000000 ] - [ -0.0058187500000000, 0.0000695800000000, 0.0061855800000000 ] - [ -0.0057184300000000, 0.0000583500000000, 0.0089683200000000 ] - [ -0.0057379900000000, -0.0005299200000000, 0.0062472900000000 ] - [ -0.0059400600000000, 0.0004037900000000, 0.0067955400000000 ] - [ -0.0058313800000000, -0.0009562500000000, 0.0068912800000000 ] - [ 0.0051152700000000, 0.0003762500000000, -0.0072827900000000 ] - [ 0.0058077600000000, -0.0006552600000000, -0.0066194300000000 ] - [ 0.0060904100000000, 0.0003684400000000, -0.0052782800000000 ] - [ 0.0058385100000000, -0.0006585700000000, -0.0067758300000000 ] - [ -0.0061549800000000, 0.0041622600000000, 0.0064522400000000 ] - [ -0.0061694100000000, -0.0020953300000000, 0.0064626100000000 ] - [ -0.0061565300000000, -0.0000546100000000, 0.0065089500000000 ] - [ -0.0061685800000000, -0.0005290000000000, 0.0064599500000000 ] - [ 0.0064235700000000, -0.0014730400000000, -0.0062129600000000 ] - [ 0.0058797200000000, -0.0015492600000000, -0.0066892600000000 ] - [ 0.0061582000000000, -0.0001760100000000, -0.0072304800000000 ] - [ 0.0061713300000000, -0.0001643600000000, -0.0056781100000000 ] - [ 0.0068835400000000, 0.0007490200000000, -0.0057498300000000 ] - [ 0.0061998800000000, -0.0002742800000000, -0.0063887900000000 ] - [ 0.0059105100000000, 0.0007648500000000, -0.0077279400000000 ] - [ 0.0061689200000000, -0.0002728900000000, -0.0062324100000000 ] - [ -0.0062968400000000, 0.0004576000000000, 0.0040147800000000 ] - [ -0.0062674700000000, -0.0001415200000000, 0.0067575200000000 ] - [ -0.0060679500000000, 0.0007845300000000, 0.0062296400000000 ] - [ -0.0061757600000000, -0.0005745000000000, 0.0061196300000000 ] - [ -0.0053847900000000, -0.0001763000000000, 0.0066148400000000 ] - [ -0.0057963500000000, -0.0002894200000000, 0.0064561500000000 ] - [ -0.0057261100000000, -0.0000663300000000, 0.0063867600000000 ] - [ -0.0057610600000000, -0.0002171500000000, 0.0065253300000000 ] - [ 0.0058554200000000, -0.0000228700000000, -0.0064469600000000 ] - [ 0.0055916300000000, -0.0002825500000000, -0.0064774600000000 ] - [ 0.0057693600000000, -0.0000721400000000, -0.0065262200000000 ] - [ 0.0057064300000000, -0.0002120300000000, -0.0063931900000000 ] - [ 0.0058332600000000, 0.0001520100000000, -0.0064642700000000 ] - [ 0.0056556100000000, 0.0001565700000000, -0.0064091700000000 ] - [ 0.0059299900000000, 0.0001503200000000, -0.0064966500000000 ] - [ 0.0055618700000000, 0.0001497200000000, -0.0063816100000000 ] - [ -0.0057469700000000, 0.0003449100000000, 0.0064344300000000 ] - [ -0.0057468700000000, 0.0000025000000000, 0.0064390200000000 ] - [ -0.0057432800000000, 0.0003942800000000, 0.0064408400000000 ] - [ -0.0057470900000000, -0.0000399600000000, 0.0064380600000000 ]- atom: 49 displacement: [ -0.0018982353749662, 0.0000000000000000, 0.0098181822381349 ] forces: - [ -0.0011762200000000, 0.0002395500000000, 0.0050108500000000 ] - [ -0.0006427800000000, -0.0009990300000000, 0.0013199500000000 ] - [ 0.0019545500000000, -0.0026248900000000, -0.0015014600000000 ] - [ 0.0002096300000000, 0.0003333900000000, 0.0001097900000000 ] - [ -0.0016886000000000, -0.0004203400000000, 0.0038274500000000 ] - [ -0.0011859000000000, 0.0008382000000000, 0.0001580300000000 ] - [ 0.0014181800000000, 0.0024628700000000, -0.0026637200000000 ] - [ -0.0003317300000000, -0.0004973000000000, -0.0010543400000000 ] - [ -0.0003405500000000, 0.0014034200000000, 0.0002377900000000 ] - [ -0.0003413300000000, -0.0012372200000000, 0.0002376600000000 ] - [ -0.0002679100000000, 0.0001271200000000, -0.0027225900000000 ] - [ -0.0002667600000000, 0.0000404500000000, -0.0027255200000000 ] - [ 0.0006715000000000, 0.0000817200000000, 0.0044958600000000 ] - [ 0.0003058900000000, 0.0000836100000000, 0.0009490700000000 ] - [ 0.0007935900000000, 0.0000800800000000, -0.0015023500000000 ] - [ 0.0000387400000000, 0.0000850300000000, 0.0001661100000000 ] - [ -0.0000535600000000, 0.0000388600000000, -0.0002515200000000 ] - [ -0.0000425800000000, 0.0000398800000000, -0.0003771800000000 ] - [ -0.0003447700000000, 0.0000397500000000, -0.0006077900000000 ] - [ -0.0001097200000000, 0.0000397200000000, -0.0005048400000000 ] - [ 0.0001929400000000, 0.0000882900000000, 0.0005946700000000 ] - [ 0.0001923200000000, -0.0000086900000000, 0.0005957100000000 ] - [ 0.0000274900000000, 0.0003206800000000, 0.0003492700000000 ] - [ 0.0000282600000000, -0.0002418000000000, 0.0003492000000000 ] - [ 0.0001403100000000, 0.0002389200000000, 0.0006417300000000 ] - [ 0.0001402800000000, -0.0001861500000000, 0.0006399600000000 ] - [ 0.0000985700000000, 0.0000491900000000, 0.0000821200000000 ] - [ 0.0001679600000000, -0.0000681000000000, 0.0002550600000000 ] - [ -0.0001081800000000, -0.0003185000000000, -0.0001941800000000 ] - [ -0.0001088100000000, 0.0001070800000000, -0.0001960600000000 ] - [ -0.0001509200000000, -0.0001287900000000, -0.0007547600000000 ] - [ -0.0000809700000000, -0.0000107600000000, -0.0005804500000000 ] - [ 0.0062349500000000, 0.0001866200000000, -0.0067575600000000 ] - [ 0.0061931400000000, 0.0001685300000000, -0.0067352100000000 ] - [ 0.0064335500000000, 0.0002437700000000, -0.0065272400000000 ] - [ 0.0062423300000000, 0.0001075200000000, -0.0065386800000000 ] - [ -0.0060770400000000, 0.0002623400000000, 0.0067569800000000 ] - [ -0.0062542100000000, 0.0001883200000000, 0.0066722100000000 ] - [ -0.0063030900000000, 0.0001020400000000, 0.0065877600000000 ] - [ -0.0062514500000000, 0.0002462200000000, 0.0065390400000000 ] - [ -0.0062693500000000, -0.0002610600000000, 0.0065140900000000 ] - [ -0.0062703500000000, -0.0000544600000000, 0.0065138100000000 ] - [ -0.0062647900000000, -0.0001992100000000, 0.0067254100000000 ] - [ -0.0062645800000000, -0.0001166100000000, 0.0067257400000000 ] - [ 0.0063836700000000, -0.0001579800000000, -0.0066143300000000 ] - [ 0.0062585100000000, -0.0001575900000000, -0.0066124300000000 ] - [ 0.0062370300000000, -0.0001573500000000, -0.0066446900000000 ] - [ 0.0062104900000000, -0.0001576800000000, -0.0066208600000000 ] - [ 0.0104081100000000, 0.0002017900000000, -0.0281777600000000 ] - [ 0.0061629600000000, 0.0001781900000000, -0.0069805700000000 ] - [ 0.0056775200000000, 0.0001794600000000, -0.0058653100000000 ] - [ 0.0057634900000000, 0.0001763700000000, -0.0062706400000000 ] - [ -0.0079553700000000, 0.0042733100000000, 0.0088916000000000 ] - [ -0.0079449000000000, -0.0039229100000000, 0.0088941300000000 ] - [ -0.0058801500000000, -0.0001899300000000, 0.0064049800000000 ] - [ -0.0058805800000000, 0.0005447500000000, 0.0064063600000000 ] - [ -0.0049772800000000, -0.0025238900000000, 0.0037784400000000 ] - [ -0.0056818000000000, 0.0001426000000000, 0.0062203600000000 ] - [ -0.0061591200000000, -0.0004251500000000, 0.0078650900000000 ] - [ -0.0059479900000000, -0.0005035500000000, 0.0070843300000000 ] - [ 0.0055725900000000, 0.0010234700000000, -0.0058793400000000 ] - [ 0.0058069200000000, -0.0003927800000000, -0.0064366900000000 ] - [ 0.0049773900000000, -0.0007589700000000, -0.0059676200000000 ] - [ 0.0058163600000000, -0.0002362800000000, -0.0064358500000000 ] - [ -0.0072290500000000, -0.0002010200000000, 0.0078515700000000 ] - [ -0.0060651100000000, -0.0002093300000000, 0.0065883400000000 ] - [ -0.0049585500000000, -0.0002136000000000, 0.0168776900000000 ] - [ -0.0061234500000000, -0.0002068900000000, 0.0063856400000000 ] - [ 0.0071642600000000, -0.0000231100000000, -0.0073658300000000 ] - [ 0.0071672600000000, -0.0003874400000000, -0.0073687100000000 ] - [ 0.0058904100000000, -0.0009615000000000, -0.0056699200000000 ] - [ 0.0058900700000000, 0.0005498200000000, -0.0056688100000000 ] - [ 0.0058962600000000, -0.0009951000000000, -0.0057815300000000 ] - [ 0.0061322300000000, 0.0004211800000000, -0.0063323600000000 ] - [ 0.0053105800000000, 0.0007780500000000, -0.0058775200000000 ] - [ 0.0061408400000000, 0.0002631400000000, -0.0063326300000000 ] - [ -0.0052994600000000, 0.0025552600000000, 0.0036705100000000 ] - [ -0.0060081200000000, -0.0001145100000000, 0.0061183900000000 ] - [ -0.0064830300000000, 0.0004529900000000, 0.0077587500000000 ] - [ -0.0062734700000000, 0.0005296400000000, 0.0069808000000000 ] - [ -0.0055374900000000, -0.0002475200000000, 0.0065662400000000 ] - [ -0.0057184900000000, -0.0001726700000000, 0.0064812900000000 ] - [ -0.0057669300000000, -0.0000868300000000, 0.0063964900000000 ] - [ -0.0057141200000000, -0.0002304900000000, 0.0063479200000000 ] - [ 0.0056983500000000, -0.0001711500000000, -0.0065665100000000 ] - [ 0.0056563300000000, -0.0001530700000000, -0.0065441700000000 ] - [ 0.0058962100000000, -0.0002286300000000, -0.0063369000000000 ] - [ 0.0057044500000000, -0.0000918600000000, -0.0063474300000000 ] - [ 0.0057622700000000, 0.0000501100000000, -0.0064188200000000 ] - [ 0.0057619700000000, 0.0002345900000000, -0.0064194100000000 ] - [ 0.0056503200000000, 0.0000964900000000, -0.0064410500000000 ] - [ 0.0056496900000000, 0.0001874100000000, -0.0064416400000000 ] - [ -0.0061845400000000, 0.0001428500000000, 0.0065438700000000 ] - [ -0.0056948100000000, 0.0001421200000000, 0.0063463300000000 ] - [ -0.0057148600000000, 0.0001426200000000, 0.0066022400000000 ] - [ -0.0057358800000000, 0.0001422900000000, 0.0064980800000000 ]- atom: 49 displacement: [ 0.0018982353749662, 0.0000000000000000, -0.0098181822381349 ] forces: - [ 0.0016382900000000, -0.0004940300000000, -0.0038245200000000 ] - [ 0.0011891000000000, 0.0008404300000000, -0.0001600600000000 ] - [ -0.0014282000000000, 0.0024811700000000, 0.0026820700000000 ] - [ 0.0003315400000000, -0.0005030100000000, 0.0010551000000000 ] - [ 0.0010659800000000, 0.0003471800000000, -0.0049661000000000 ] - [ 0.0006504400000000, -0.0010134900000000, -0.0013243800000000 ] - [ -0.0019720000000000, -0.0026502200000000, 0.0015161900000000 ] - [ -0.0002085300000000, 0.0003355200000000, -0.0001073400000000 ] - [ -0.0001994400000000, -0.0012463600000000, -0.0014088500000000 ] - [ -0.0002012000000000, 0.0014111200000000, -0.0014105100000000 ] - [ -0.0002655400000000, 0.0000324200000000, 0.0015767600000000 ] - [ -0.0002668100000000, 0.0001310100000000, 0.0015787300000000 ] - [ -0.0002958500000000, 0.0000840400000000, -0.0036921600000000 ] - [ 0.0002333400000000, 0.0000818000000000, 0.0002110300000000 ] - [ -0.0002560400000000, 0.0000858300000000, 0.0026794900000000 ] - [ 0.0005035900000000, 0.0000807300000000, 0.0010022200000000 ] - [ -0.0001915100000000, 0.0000398500000000, -0.0005857100000000 ] - [ -0.0002074700000000, 0.0000401000000000, -0.0004595100000000 ] - [ 0.0000969200000000, 0.0000407700000000, -0.0002263700000000 ] - [ -0.0001383700000000, 0.0000394600000000, -0.0003304300000000 ] - [ 0.0000561900000000, -0.0000065200000000, 0.0002394600000000 ] - [ 0.0000585300000000, 0.0000852100000000, 0.0002384400000000 ] - [ 0.0002214800000000, -0.0002434900000000, 0.0004873900000000 ] - [ 0.0002224000000000, 0.0003234000000000, 0.0004869900000000 ] - [ 0.0001101900000000, -0.0003190100000000, 0.0001909900000000 ] - [ 0.0001080300000000, 0.0001073300000000, 0.0001934100000000 ] - [ 0.0001526800000000, -0.0001295400000000, 0.0007599800000000 ] - [ 0.0000826000000000, -0.0000110900000000, 0.0005821900000000 ] - [ -0.0001395600000000, 0.0002401400000000, -0.0006453600000000 ] - [ -0.0001399800000000, -0.0001861100000000, -0.0006424600000000 ] - [ -0.0000964700000000, 0.0000495400000000, -0.0000745200000000 ] - [ -0.0001666500000000, -0.0000681100000000, -0.0002539800000000 ] - [ 0.0063013200000000, 0.0001295500000000, -0.0065069400000000 ] - [ 0.0063397200000000, 0.0001470900000000, -0.0065251000000000 ] - [ 0.0061005700000000, 0.0000719900000000, -0.0067353300000000 ] - [ 0.0062934400000000, 0.0002109100000000, -0.0067243100000000 ] - [ -0.0064603200000000, 0.0000557500000000, 0.0065032100000000 ] - [ -0.0062800300000000, 0.0001238300000000, 0.0065902200000000 ] - [ -0.0062320000000000, 0.0002108900000000, 0.0066754100000000 ] - [ -0.0062849000000000, 0.0000659700000000, 0.0067266300000000 ] - [ -0.0062667700000000, -0.0000522500000000, 0.0067519500000000 ] - [ -0.0062665200000000, -0.0002613300000000, 0.0067469200000000 ] - [ -0.0062722200000000, -0.0001154500000000, 0.0065337300000000 ] - [ -0.0062713500000000, -0.0002011900000000, 0.0065350200000000 ] - [ 0.0061487200000000, -0.0001599900000000, -0.0066490200000000 ] - [ 0.0062758600000000, -0.0001566100000000, -0.0066519500000000 ] - [ 0.0062986700000000, -0.0001563700000000, -0.0066187400000000 ] - [ 0.0063234600000000, -0.0001567000000000, -0.0066438800000000 ] - [ 0.0016436700000000, 0.0001503300000000, 0.0154633500000000 ] - [ 0.0054976500000000, 0.0001769800000000, -0.0061367700000000 ] - [ 0.0059850600000000, 0.0001753400000000, -0.0072577000000000 ] - [ 0.0059000400000000, 0.0001793700000000, -0.0068542400000000 ] - [ -0.0036937800000000, -0.0039455000000000, 0.0042152000000000 ] - [ -0.0037026800000000, 0.0043108300000000, 0.0042125500000000 ] - [ -0.0057821800000000, 0.0005484400000000, 0.0067190600000000 ] - [ -0.0057803200000000, -0.0001885300000000, 0.0067186800000000 ] - [ -0.0066896100000000, 0.0021785500000000, 0.0093578700000000 ] - [ -0.0059824600000000, -0.0005011000000000, 0.0069038300000000 ] - [ -0.0055020800000000, 0.0000713200000000, 0.0052465900000000 ] - [ -0.0057156200000000, 0.0001457000000000, 0.0060349700000000 ] - [ 0.0060815500000000, -0.0013898900000000, -0.0072745900000000 ] - [ 0.0058571700000000, 0.0000386700000000, -0.0066838600000000 ] - [ 0.0066609400000000, 0.0003680000000000, -0.0071348100000000 ] - [ 0.0058449900000000, -0.0001177200000000, -0.0066903800000000 ] - [ -0.0051122500000000, -0.0002118000000000, 0.0050636500000000 ] - [ -0.0062428400000000, -0.0002045000000000, 0.0063238600000000 ] - [ -0.0073646600000000, -0.0002022100000000, -0.0040691000000000 ] - [ -0.0061922000000000, -0.0002048300000000, 0.0065308800000000 ] - [ 0.0051511800000000, -0.0003881300000000, -0.0055432800000000 ] - [ 0.0051484700000000, -0.0000231700000000, -0.0055417700000000 ] - [ 0.0064249700000000, 0.0005554400000000, -0.0072520800000000 ] - [ 0.0064242100000000, -0.0009670600000000, -0.0072516700000000 ] - [ 0.0064086900000000, 0.0014173300000000, -0.0071643800000000 ] - [ 0.0061836900000000, -0.0000100500000000, -0.0065830400000000 ] - [ 0.0069790600000000, -0.0003313700000000, -0.0070182300000000 ] - [ 0.0061713400000000, 0.0001461000000000, -0.0065857600000000 ] - [ -0.0070180800000000, -0.0021544200000000, 0.0092600600000000 ] - [ -0.0063062200000000, 0.0005300800000000, 0.0068027500000000 ] - [ -0.0058279400000000, -0.0000423700000000, 0.0051499800000000 ] - [ -0.0060411600000000, -0.0001157700000000, 0.0059315300000000 ] - [ -0.0059263900000000, -0.0000380600000000, 0.0063111800000000 ] - [ -0.0057427300000000, -0.0001106500000000, 0.0063970800000000 ] - [ -0.0056923100000000, -0.0001961100000000, 0.0064879600000000 ] - [ -0.0057468500000000, -0.0000502500000000, 0.0065331400000000 ] - [ 0.0057633400000000, -0.0001123400000000, -0.0063120900000000 ] - [ 0.0058033400000000, -0.0001333000000000, -0.0063357800000000 ] - [ 0.0055647200000000, -0.0000579700000000, -0.0065457600000000 ] - [ 0.0057561600000000, -0.0001954900000000, -0.0065350600000000 ] - [ 0.0057004800000000, 0.0002350000000000, -0.0064606700000000 ] - [ 0.0056987400000000, 0.0000510800000000, -0.0064596000000000 ] - [ 0.0058109300000000, 0.0001885800000000, -0.0064424400000000 ] - [ 0.0058108100000000, 0.0000937000000000, -0.0064386800000000 ] - [ -0.0052666700000000, 0.0001393600000000, 0.0063319300000000 ] - [ -0.0057663600000000, 0.0001440000000000, 0.0065368000000000 ] - [ -0.0057461300000000, 0.0001429900000000, 0.0062802800000000 ] - [ -0.0057250400000000, 0.0001432400000000, 0.0063825700000000 ]- atom: 65 displacement: [ 0.0099988104925089, 0.0000000000000000, 0.0001542359714647 ] forces: - [ 0.0117785200000000, -0.0078796700000000, -0.0026281900000000 ] - [ 0.0013598100000000, -0.0006352400000000, -0.0000538900000000 ] - [ 0.0008077400000000, 0.0002126500000000, 0.0011248300000000 ] - [ 0.0002623300000000, -0.0000538100000000, 0.0007177700000000 ] - [ 0.0113049800000000, 0.0077568500000000, -0.0038053700000000 ] - [ 0.0008128900000000, 0.0004604300000000, -0.0012120200000000 ] - [ 0.0002637200000000, -0.0003754500000000, -0.0000406500000000 ] - [ -0.0002779800000000, -0.0001140500000000, -0.0004475300000000 ] - [ 0.0004426200000000, 0.0004801400000000, 0.0006264600000000 ] - [ 0.0004395700000000, -0.0003127900000000, 0.0006170200000000 ] - [ 0.0001962200000000, 0.0003935100000000, -0.0005893000000000 ] - [ 0.0001967400000000, -0.0002294300000000, -0.0005891300000000 ] - [ 0.0006960600000000, 0.0000835300000000, 0.0009679000000000 ] - [ 0.0003017000000000, 0.0000809700000000, 0.0007076100000000 ] - [ 0.0088438500000000, 0.0000844800000000, 0.0107237900000000 ] - [ 0.0002541600000000, 0.0000814400000000, 0.0004616100000000 ] - [ -0.0007929800000000, 0.0000398300000000, -0.0005405000000000 ] - [ -0.0001652200000000, 0.0000397800000000, -0.0004078900000000 ] - [ -0.0001499900000000, 0.0000396100000000, -0.0004479200000000 ] - [ -0.0001000600000000, 0.0000396600000000, -0.0003788900000000 ] - [ -0.0002151700000000, 0.0005039700000000, 0.0005822900000000 ] - [ -0.0002130200000000, -0.0004225100000000, 0.0005816600000000 ] - [ 0.0001269500000000, 0.0001401200000000, 0.0004530300000000 ] - [ 0.0001270300000000, -0.0000604100000000, 0.0004542100000000 ] - [ -0.0000366200000000, 0.0000242300000000, -0.0000876000000000 ] - [ 0.0000956600000000, -0.0000984700000000, 0.0004194700000000 ] - [ -0.0001660100000000, 0.0004280300000000, 0.0005533600000000 ] - [ 0.0001140100000000, -0.0001762800000000, 0.0004046700000000 ] - [ -0.0002858600000000, -0.0001038300000000, -0.0009247200000000 ] - [ -0.0001539900000000, 0.0000210600000000, -0.0004174900000000 ] - [ -0.0004149000000000, -0.0005071900000000, -0.0002822000000000 ] - [ -0.0001371100000000, 0.0000972400000000, -0.0004320400000000 ] - [ 0.0069544200000000, 0.0005136600000000, -0.0063076200000000 ] - [ 0.0062573800000000, 0.0001111000000000, -0.0066147700000000 ] - [ 0.0062817300000000, 0.0001794600000000, -0.0066605800000000 ] - [ 0.0062557400000000, 0.0001492800000000, -0.0066162900000000 ] - [ -0.0061283000000000, 0.0000482700000000, 0.0066216000000000 ] - [ -0.0061229700000000, 0.0003094400000000, 0.0065784400000000 ] - [ -0.0062192600000000, 0.0001299500000000, 0.0068089000000000 ] - [ -0.0062472700000000, 0.0001876900000000, 0.0066095900000000 ] - [ -0.0061834800000000, -0.0002427500000000, 0.0066866000000000 ] - [ -0.0061824800000000, -0.0000668200000000, 0.0066829200000000 ] - [ -0.0061859000000000, -0.0003404700000000, 0.0065635300000000 ] - [ -0.0061844900000000, 0.0000220500000000, 0.0065670500000000 ] - [ 0.0062801300000000, -0.0001620800000000, -0.0066177300000000 ] - [ 0.0062511300000000, -0.0001588500000000, -0.0066476700000000 ] - [ 0.0071555800000000, -0.0001564100000000, -0.0069207900000000 ] - [ 0.0062372100000000, -0.0001564700000000, -0.0066086400000000 ] - [ 0.0068055700000000, 0.0001714100000000, -0.0074533700000000 ] - [ 0.0056335100000000, 0.0001799000000000, -0.0065099900000000 ] - [ 0.0063616900000000, 0.0001754100000000, -0.0050908600000000 ] - [ 0.0058234100000000, 0.0001834400000000, -0.0065311000000000 ] - [ -0.0073495400000000, -0.0000992800000000, 0.0072864800000000 ] - [ -0.0073448500000000, 0.0004460300000000, 0.0072861900000000 ] - [ -0.0059910700000000, 0.0001925100000000, 0.0062728200000000 ] - [ -0.0059860700000000, 0.0001588800000000, 0.0062732400000000 ] - [ -0.0068278500000000, -0.0009177900000000, 0.0061169200000000 ] - [ -0.0058651000000000, -0.0002131500000000, 0.0065301000000000 ] - [ -0.0068142000000000, 0.0000976700000000, 0.0055372600000000 ] - [ -0.0058619700000000, -0.0001841300000000, 0.0065442900000000 ] - [ 0.0057391500000000, -0.0000792400000000, -0.0068958600000000 ] - [ 0.0057846800000000, -0.0001906300000000, -0.0066773800000000 ] - [ 0.0061518300000000, -0.0003508000000000, -0.0056617400000000 ] - [ 0.0057331500000000, -0.0002759000000000, -0.0064353100000000 ] - [ -0.0425907100000000, -0.0002421800000000, 0.0036097400000000 ] - [ -0.0065084700000000, -0.0002059100000000, 0.0067263900000000 ] - [ -0.0062189600000000, -0.0002075000000000, 0.0063070200000000 ] - [ -0.0061447300000000, -0.0002011700000000, 0.0063991000000000 ] - [ 0.0081894100000000, 0.0031716600000000, -0.0081978200000000 ] - [ 0.0081933500000000, -0.0035636500000000, -0.0081901500000000 ] - [ 0.0061273100000000, -0.0002244000000000, -0.0065200500000000 ] - [ 0.0061235900000000, -0.0001922100000000, -0.0065174600000000 ] - [ 0.0060647800000000, 0.0001053500000000, -0.0067901400000000 ] - [ 0.0061066100000000, 0.0002207100000000, -0.0065802400000000 ] - [ 0.0064766300000000, 0.0003750600000000, -0.0055543300000000 ] - [ 0.0060604500000000, 0.0003056200000000, -0.0063309700000000 ] - [ -0.0071497900000000, 0.0009449800000000, 0.0060122300000000 ] - [ -0.0061901400000000, 0.0002406200000000, 0.0064284600000000 ] - [ -0.0071418900000000, -0.0000699500000000, 0.0054330100000000 ] - [ -0.0061905600000000, 0.0002131600000000, 0.0064352100000000 ] - [ -0.0055945200000000, -0.0000306100000000, 0.0064272500000000 ] - [ -0.0055854000000000, -0.0002961900000000, 0.0063864000000000 ] - [ -0.0056767500000000, -0.0001163500000000, 0.0066223200000000 ] - [ -0.0057092900000000, -0.0001710000000000, 0.0064205100000000 ] - [ 0.0064186200000000, -0.0004974800000000, -0.0061101000000000 ] - [ 0.0057225900000000, -0.0000962100000000, -0.0064233900000000 ] - [ 0.0057472400000000, -0.0001669200000000, -0.0064730900000000 ] - [ 0.0057159600000000, -0.0001319000000000, -0.0064268800000000 ] - [ 0.0057280800000000, 0.0000858400000000, -0.0064351900000000 ] - [ 0.0057246200000000, 0.0002035500000000, -0.0064374100000000 ] - [ 0.0057403600000000, 0.0000750700000000, -0.0064483500000000 ] - [ 0.0057406500000000, 0.0002058800000000, -0.0064462100000000 ] - [ -0.0056530900000000, 0.0001380700000000, 0.0065769500000000 ] - [ -0.0056979600000000, 0.0001414000000000, 0.0064428300000000 ] - [ -0.0056571100000000, 0.0001438400000000, 0.0064330500000000 ] - [ -0.0056980200000000, 0.0001430400000000, 0.0063946900000000 ]- atom: 65 displacement: [ -0.0099988104925089, 0.0000000000000000, -0.0001542359714647 ] forces: - [ -0.0110651100000000, 0.0074335700000000, 0.0036664600000000 ] - [ -0.0008242500000000, 0.0004682200000000, 0.0012175200000000 ] - [ -0.0002763200000000, -0.0003920900000000, 0.0000433200000000 ] - [ 0.0002787400000000, -0.0001112200000000, 0.0004456700000000 ] - [ -0.0116722300000000, -0.0076396000000000, 0.0025181700000000 ] - [ -0.0013567300000000, -0.0006267600000000, 0.0000530600000000 ] - [ -0.0008169600000000, 0.0002242600000000, -0.0011210900000000 ] - [ -0.0002609900000000, -0.0000544400000000, -0.0007169600000000 ] - [ -0.0009832100000000, -0.0003169500000000, -0.0017901300000000 ] - [ -0.0009818200000000, 0.0004775800000000, -0.0017846800000000 ] - [ -0.0007429900000000, -0.0002201700000000, -0.0005695200000000 ] - [ -0.0007410500000000, 0.0003882600000000, -0.0005710700000000 ] - [ -0.0001577400000000, 0.0000831900000000, 0.0001911900000000 ] - [ 0.0002394000000000, 0.0000849700000000, 0.0004543400000000 ] - [ -0.0083099900000000, 0.0000829000000000, -0.0093727600000000 ] - [ 0.0002870300000000, 0.0000854700000000, 0.0007049200000000 ] - [ 0.0005520300000000, 0.0000388100000000, -0.0002933200000000 ] - [ -0.0000852800000000, 0.0000411400000000, -0.0004273900000000 ] - [ -0.0000990700000000, 0.0000403200000000, -0.0003875400000000 ] - [ -0.0001496000000000, 0.0000401200000000, -0.0004596200000000 ] - [ 0.0004651200000000, -0.0004309500000000, 0.0002486700000000 ] - [ 0.0004660600000000, 0.0005101600000000, 0.0002481700000000 ] - [ 0.0001204100000000, -0.0000609600000000, 0.0003813400000000 ] - [ 0.0001235500000000, 0.0001399100000000, 0.0003804100000000 ] - [ 0.0002863500000000, -0.0001025700000000, 0.0009354700000000 ] - [ 0.0001517800000000, 0.0000208500000000, 0.0004163000000000 ] - [ 0.0004199600000000, -0.0005172900000000, 0.0002810700000000 ] - [ 0.0001382600000000, 0.0000985800000000, 0.0004306800000000 ] - [ 0.0000385100000000, 0.0000240600000000, 0.0000987600000000 ] - [ -0.0000969800000000, -0.0000996100000000, -0.0004203300000000 ] - [ 0.0001718900000000, 0.0004361900000000, -0.0005564400000000 ] - [ -0.0001108600000000, -0.0001775700000000, -0.0004057900000000 ] - [ 0.0055592800000000, -0.0002093200000000, -0.0069666400000000 ] - [ 0.0062725600000000, 0.0002079000000000, -0.0066440700000000 ] - [ 0.0062543500000000, 0.0001379500000000, -0.0065949900000000 ] - [ 0.0062812200000000, 0.0001742200000000, -0.0066426400000000 ] - [ -0.0064063000000000, 0.0002725800000000, 0.0066386900000000 ] - [ -0.0064080900000000, -0.0000014300000000, 0.0066815200000000 ] - [ -0.0063191900000000, 0.0001803000000000, 0.0064482800000000 ] - [ -0.0062869400000000, 0.0001195900000000, 0.0066526700000000 ] - [ -0.0063542100000000, -0.0000682700000000, 0.0065812800000000 ] - [ -0.0063540800000000, -0.0002485900000000, 0.0065804800000000 ] - [ -0.0063557900000000, 0.0000294100000000, 0.0066961200000000 ] - [ -0.0063568600000000, -0.0003449100000000, 0.0066973000000000 ] - [ 0.0062553500000000, -0.0001575600000000, -0.0066495300000000 ] - [ 0.0062842900000000, -0.0001571000000000, -0.0066220800000000 ] - [ 0.0053566100000000, -0.0001561500000000, -0.0063348100000000 ] - [ 0.0062973000000000, -0.0001580900000000, -0.0066612600000000 ] - [ 0.0049006200000000, 0.0001857600000000, -0.0057009400000000 ] - [ 0.0060302800000000, 0.0001760100000000, -0.0066135400000000 ] - [ 0.0052962900000000, 0.0001801600000000, -0.0080783400000000 ] - [ 0.0058318200000000, 0.0001773800000000, -0.0065924400000000 ] - [ -0.0043126100000000, 0.0004618200000000, 0.0058421700000000 ] - [ -0.0043195900000000, -0.0000972700000000, 0.0058428100000000 ] - [ -0.0056686000000000, 0.0001596600000000, 0.0068494500000000 ] - [ -0.0056689500000000, 0.0001976700000000, 0.0068484800000000 ] - [ -0.0048299300000000, 0.0005536500000000, 0.0070018000000000 ] - [ -0.0057960900000000, -0.0001452600000000, 0.0065886300000000 ] - [ -0.0048397700000000, -0.0004496000000000, 0.0075918200000000 ] - [ -0.0057930900000000, -0.0001736500000000, 0.0065792700000000 ] - [ 0.0059179000000000, -0.0002724500000000, -0.0062282100000000 ] - [ 0.0058754100000000, -0.0001629800000000, -0.0064402700000000 ] - [ 0.0055306400000000, -0.0000228900000000, -0.0074418300000000 ] - [ 0.0059270200000000, -0.0000789900000000, -0.0066864200000000 ] - [ 0.0299073400000000, -0.0001687100000000, 0.0093855400000000 ] - [ -0.0057996400000000, -0.0002076500000000, 0.0061927500000000 ] - [ -0.0060867300000000, -0.0002057700000000, 0.0066154800000000 ] - [ -0.0061642200000000, -0.0002069700000000, 0.0065183900000000 ] - [ 0.0041261600000000, -0.0035889200000000, -0.0047134500000000 ] - [ 0.0041241400000000, 0.0031555200000000, -0.0047242400000000 ] - [ 0.0061848700000000, -0.0001895600000000, -0.0063975400000000 ] - [ 0.0061847700000000, -0.0002229100000000, -0.0063967200000000 ] - [ 0.0062405500000000, 0.0003014300000000, -0.0061268300000000 ] - [ 0.0061991600000000, 0.0001900200000000, -0.0063389400000000 ] - [ 0.0058573900000000, 0.0000540600000000, -0.0073461000000000 ] - [ 0.0062483700000000, 0.0001052700000000, -0.0065841600000000 ] - [ -0.0051594200000000, -0.0005237100000000, 0.0068974100000000 ] - [ -0.0061214700000000, 0.0001727300000000, 0.0064866700000000 ] - [ -0.0051634800000000, 0.0004782800000000, 0.0074903600000000 ] - [ -0.0061180700000000, 0.0001998500000000, 0.0064770800000000 ] - [ -0.0058658700000000, -0.0002566900000000, 0.0064472500000000 ] - [ -0.0058736600000000, 0.0000161800000000, 0.0064907700000000 ] - [ -0.0057849000000000, -0.0001646900000000, 0.0062569500000000 ] - [ -0.0057472700000000, -0.0001043700000000, 0.0064605100000000 ] - [ 0.0050242400000000, 0.0002247200000000, -0.0067757100000000 ] - [ 0.0057351500000000, -0.0001925800000000, -0.0064542500000000 ] - [ 0.0057192900000000, -0.0001226500000000, -0.0064043100000000 ] - [ 0.0057418800000000, -0.0001590300000000, -0.0064513900000000 ] - [ 0.0057401100000000, 0.0002026400000000, -0.0064429300000000 ] - [ 0.0057387600000000, 0.0000810500000000, -0.0064425900000000 ] - [ 0.0057231000000000, 0.0002115700000000, -0.0064372500000000 ] - [ 0.0057209700000000, 0.0000724500000000, -0.0064381300000000 ] - [ -0.0058070500000000, 0.0001425200000000, 0.0063039800000000 ] - [ -0.0057612600000000, 0.0001432600000000, 0.0064438000000000 ] - [ -0.0058086600000000, 0.0001424100000000, 0.0064539900000000 ] - [ -0.0057633400000000, 0.0001423400000000, 0.0064919600000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005912300000000, 0.0040794200000000, -0.0000716100000000 ] - [ 0.0013463400000000, -0.0034061100000000, 0.0000215500000000 ] - [ 0.0004185400000000, 0.0005266900000000, 0.0007130600000000 ] - [ 0.0003329300000000, -0.0006543100000000, 0.0008212200000000 ] - [ 0.0008414700000000, 0.0043216700000000, -0.0000420100000000 ] - [ -0.0013431100000000, -0.0033940300000000, -0.0000236600000000 ] - [ -0.0004378800000000, 0.0005522700000000, -0.0006966000000000 ] - [ -0.0003320200000000, -0.0006594500000000, -0.0008181200000000 ] - [ 0.0004032600000000, -0.0002102300000000, 0.0021523200000000 ] - [ -0.0009433700000000, -0.0002170100000000, -0.0032985800000000 ] - [ 0.0000082000000000, -0.0005851900000000, -0.0016643000000000 ] - [ -0.0005481600000000, -0.0005987900000000, 0.0004867400000000 ] - [ 0.0002689400000000, 0.0019229200000000, 0.0005854900000000 ] - [ 0.0002719600000000, -0.0012520300000000, 0.0005891300000000 ] - [ 0.0002849000000000, 0.0053127100000000, 0.0006031700000000 ] - [ 0.0002717700000000, -0.0009369100000000, 0.0005792500000000 ] - [ -0.0001276800000000, 0.0006086100000000, -0.0004208800000000 ] - [ -0.0001260900000000, -0.0004971900000000, -0.0004168400000000 ] - [ -0.0001236600000000, 0.0002947500000000, -0.0004162300000000 ] - [ -0.0001236900000000, -0.0002343100000000, -0.0004179400000000 ] - [ -0.0000014900000000, -0.0000011000000000, 0.0003104100000000 ] - [ 0.0002486500000000, -0.0000080100000000, 0.0005238700000000 ] - [ 0.0001116200000000, 0.0000480800000000, 0.0004129500000000 ] - [ 0.0001394400000000, 0.0000443200000000, 0.0004237100000000 ] - [ 0.0000768500000000, 0.0003405500000000, 0.0006073600000000 ] - [ 0.0001681600000000, -0.0003853400000000, 0.0003540400000000 ] - [ 0.0000694900000000, 0.0002339600000000, 0.0003178600000000 ] - [ 0.0001754400000000, -0.0002883500000000, 0.0005777600000000 ] - [ -0.0000752700000000, 0.0003370100000000, -0.0006072400000000 ] - [ -0.0001732300000000, -0.0003833200000000, -0.0003582800000000 ] - [ -0.0000727900000000, 0.0002282600000000, -0.0003127500000000 ] - [ -0.0001709600000000, -0.0002839100000000, -0.0005761600000000 ] - [ 0.0066400800000000, 0.0001872700000000, -0.0064565600000000 ] - [ 0.0062315500000000, 0.0003029300000000, -0.0066069800000000 ] - [ 0.0063026400000000, 0.0000822300000000, -0.0066815600000000 ] - [ 0.0062641200000000, 0.0002355500000000, -0.0065392700000000 ] - [ -0.0061680900000000, 0.0000426400000000, 0.0066246000000000 ] - [ -0.0064363200000000, 0.0002982200000000, 0.0065886400000000 ] - [ -0.0062587800000000, 0.0000837900000000, 0.0065474300000000 ] - [ -0.0063195700000000, 0.0002268500000000, 0.0066781900000000 ] - [ -0.0060958000000000, -0.0001697800000000, 0.0065727400000000 ] - [ -0.0064669600000000, -0.0001742000000000, 0.0066827100000000 ] - [ -0.0061916000000000, -0.0001727700000000, 0.0065959500000000 ] - [ -0.0063680800000000, -0.0001711900000000, 0.0066562200000000 ] - [ 0.0062779900000000, -0.0004051900000000, -0.0066291100000000 ] - [ 0.0062796000000000, 0.0000309800000000, -0.0066288100000000 ] - [ 0.0062836700000000, -0.0003572300000000, -0.0066277500000000 ] - [ 0.0062799900000000, -0.0000133400000000, -0.0066284300000000 ] - [ 0.0058266500000000, -0.0041893800000000, -0.0065591500000000 ] - [ 0.0058467900000000, 0.0020653100000000, -0.0065654800000000 ] - [ 0.0058355400000000, 0.0000269300000000, -0.0066088900000000 ] - [ 0.0058410300000000, 0.0005027800000000, -0.0065566600000000 ] - [ -0.0055541200000000, 0.0015241000000000, 0.0067949700000000 ] - [ -0.0060989600000000, 0.0014446000000000, 0.0063161400000000 ] - [ -0.0058443400000000, 0.0001360500000000, 0.0057822500000000 ] - [ -0.0058329800000000, 0.0001440000000000, 0.0073296000000000 ] - [ -0.0060920800000000, -0.0007235100000000, 0.0052746100000000 ] - [ -0.0058411800000000, 0.0002983900000000, 0.0067774300000000 ] - [ -0.0051166700000000, -0.0007318500000000, 0.0072734400000000 ] - [ -0.0058111000000000, 0.0003013100000000, 0.0066239400000000 ] - [ 0.0059419500000000, -0.0007542700000000, -0.0067966300000000 ] - [ 0.0058324900000000, 0.0006010100000000, -0.0068890400000000 ] - [ 0.0057249900000000, -0.0004232600000000, -0.0089697700000000 ] - [ 0.0057405100000000, 0.0001687900000000, -0.0062503700000000 ] - [ -0.0064614500000000, -0.0224606800000000, 0.0065834200000000 ] - [ -0.0061649500000000, 0.0010268900000000, 0.0064561800000000 ] - [ -0.0061654900000000, -0.0005944100000000, 0.0064568700000000 ] - [ -0.0061654000000000, 0.0001116400000000, 0.0064548000000000 ] - [ 0.0095982400000000, 0.0074302200000000, -0.0099933300000000 ] - [ 0.0027395800000000, 0.0073722800000000, -0.0029406000000000 ] - [ 0.0061462300000000, -0.0000978900000000, -0.0060823800000000 ] - [ 0.0061889400000000, -0.0000963000000000, -0.0068238200000000 ] - [ 0.0060661000000000, -0.0003733100000000, -0.0062306200000000 ] - [ 0.0061797400000000, 0.0009831700000000, -0.0061275500000000 ] - [ 0.0062991900000000, -0.0000467800000000, -0.0040084300000000 ] - [ 0.0062698200000000, 0.0005567800000000, -0.0067610000000000 ] - [ -0.0059151400000000, -0.0003434100000000, 0.0077261900000000 ] - [ -0.0061697900000000, 0.0006853600000000, 0.0062333300000000 ] - [ -0.0068858600000000, -0.0003420700000000, 0.0057583800000000 ] - [ -0.0062009000000000, 0.0006827700000000, 0.0063913800000000 ] - [ -0.0058584400000000, -0.0002615200000000, 0.0064469900000000 ] - [ -0.0055903700000000, -0.0000034700000000, 0.0064771000000000 ] - [ -0.0057708700000000, -0.0002132000000000, 0.0065230800000000 ] - [ -0.0057051300000000, -0.0000686900000000, 0.0063930300000000 ] - [ 0.0053818300000000, -0.0001062400000000, -0.0066174900000000 ] - [ 0.0057950800000000, 0.0000037900000000, -0.0064634300000000 ] - [ 0.0057265500000000, -0.0002187800000000, -0.0063874300000000 ] - [ 0.0057608200000000, -0.0000679500000000, -0.0065268500000000 ] - [ 0.0056836500000000, 0.0001589600000000, -0.0064059100000000 ] - [ 0.0058040200000000, 0.0001582300000000, -0.0064656200000000 ] - [ 0.0056728300000000, 0.0001313300000000, -0.0063478000000000 ] - [ 0.0058147300000000, 0.0001328700000000, -0.0065288900000000 ] - [ -0.0057430700000000, -0.0000004900000000, 0.0064343700000000 ] - [ -0.0057442200000000, 0.0002945600000000, 0.0064361200000000 ] - [ -0.0057412000000000, -0.0000000600000000, 0.0064380300000000 ] - [ -0.0057454100000000, 0.0002930000000000, 0.0064387700000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0013271000000000, -0.0044512800000000, 0.0011382300000000 ] - [ -0.0008015200000000, 0.0032315800000000, 0.0011374400000000 ] - [ 0.0001068100000000, -0.0007134000000000, 0.0004646100000000 ] - [ 0.0002075800000000, 0.0004919300000000, 0.0003439700000000 ] - [ -0.0011853000000000, -0.0042823000000000, -0.0012209300000000 ] - [ 0.0008066000000000, 0.0032370400000000, -0.0011422900000000 ] - [ -0.0001194200000000, -0.0006978500000000, -0.0004543900000000 ] - [ -0.0002081000000000, 0.0004902700000000, -0.0003416900000000 ] - [ -0.0009397900000000, 0.0003784100000000, -0.0033007000000000 ] - [ 0.0004048900000000, 0.0003792600000000, 0.0021523000000000 ] - [ -0.0005482100000000, 0.0007608700000000, 0.0004948800000000 ] - [ 0.0000082300000000, 0.0007554700000000, -0.0016594300000000 ] - [ 0.0002718700000000, -0.0017573700000000, 0.0005873900000000 ] - [ 0.0002700400000000, 0.0014183500000000, 0.0005818500000000 ] - [ 0.0002719700000000, -0.0051478100000000, 0.0005899100000000 ] - [ 0.0002695400000000, 0.0011040100000000, 0.0005800300000000 ] - [ -0.0001255900000000, -0.0005282400000000, -0.0004193200000000 ] - [ -0.0001247200000000, 0.0005762500000000, -0.0004171300000000 ] - [ -0.0001231100000000, -0.0002165200000000, -0.0004176800000000 ] - [ -0.0001243700000000, 0.0003142300000000, -0.0004167300000000 ] - [ 0.0002453000000000, 0.0000854700000000, 0.0005237800000000 ] - [ 0.0000020000000000, 0.0000839600000000, 0.0003100600000000 ] - [ 0.0001374000000000, 0.0000342300000000, 0.0004240500000000 ] - [ 0.0001119200000000, 0.0000326900000000, 0.0004133400000000 ] - [ 0.0001723500000000, -0.0004167200000000, 0.0002292800000000 ] - [ 0.0000771000000000, 0.0003052100000000, 0.0004787800000000 ] - [ 0.0001795400000000, -0.0003103100000000, 0.0005207700000000 ] - [ 0.0000752600000000, 0.0002044500000000, 0.0002583900000000 ] - [ -0.0001735000000000, -0.0004178700000000, -0.0002271000000000 ] - [ -0.0000775300000000, 0.0003052300000000, -0.0004791500000000 ] - [ -0.0001794900000000, -0.0003127100000000, -0.0005208600000000 ] - [ -0.0000745200000000, 0.0002053600000000, -0.0002612300000000 ] - [ 0.0059079300000000, 0.0001252200000000, -0.0068123400000000 ] - [ 0.0063178500000000, 0.0000120400000000, -0.0066502600000000 ] - [ 0.0062507500000000, 0.0002340600000000, -0.0065781000000000 ] - [ 0.0062886100000000, 0.0000825900000000, -0.0067162700000000 ] - [ -0.0063830300000000, 0.0002775900000000, 0.0066379700000000 ] - [ -0.0061126800000000, 0.0000123800000000, 0.0066718100000000 ] - [ -0.0062948900000000, 0.0002289400000000, 0.0067134800000000 ] - [ -0.0062320600000000, 0.0000846700000000, 0.0065891700000000 ] - [ -0.0064555100000000, -0.0001439200000000, 0.0066897900000000 ] - [ -0.0060842200000000, -0.0001447700000000, 0.0065700900000000 ] - [ -0.0063604800000000, -0.0001457300000000, 0.0066589100000000 ] - [ -0.0061813000000000, -0.0001439500000000, 0.0066004100000000 ] - [ 0.0062685500000000, 0.0000880100000000, -0.0066305100000000 ] - [ 0.0062696100000000, -0.0003413700000000, -0.0066329200000000 ] - [ 0.0062728700000000, 0.0000446100000000, -0.0066297800000000 ] - [ 0.0062700900000000, -0.0002997000000000, -0.0066336100000000 ] - [ 0.0058390600000000, 0.0045478800000000, -0.0065649900000000 ] - [ 0.0058330700000000, -0.0017113000000000, -0.0065599100000000 ] - [ 0.0058320100000000, 0.0003318600000000, -0.0065939200000000 ] - [ 0.0058338000000000, -0.0001462500000000, -0.0065588800000000 ] - [ -0.0061005300000000, -0.0011204800000000, 0.0063173100000000 ] - [ -0.0055541800000000, -0.0011359700000000, 0.0067970600000000 ] - [ -0.0058262400000000, 0.0002147100000000, 0.0073326700000000 ] - [ -0.0058405000000000, 0.0002145700000000, 0.0057833100000000 ] - [ -0.0055841200000000, 0.0003701800000000, 0.0078377800000000 ] - [ -0.0058371800000000, -0.0006587700000000, 0.0063379800000000 ] - [ -0.0065556900000000, 0.0003744000000000, 0.0058648500000000 ] - [ -0.0058680400000000, -0.0006573600000000, 0.0064959200000000 ] - [ 0.0057373000000000, 0.0004019800000000, -0.0063305500000000 ] - [ 0.0058442600000000, -0.0009556900000000, -0.0062294300000000 ] - [ 0.0059678900000000, 0.0000687700000000, -0.0041200700000000 ] - [ 0.0059393200000000, -0.0005271500000000, -0.0068678400000000 ] - [ -0.0063783200000000, 0.0220556200000000, 0.0065524000000000 ] - [ -0.0061604300000000, -0.0014417500000000, 0.0064583700000000 ] - [ -0.0061593500000000, 0.0001829800000000, 0.0064553500000000 ] - [ -0.0061604600000000, -0.0005236100000000, 0.0064572300000000 ] - [ 0.0027549600000000, -0.0077856000000000, -0.0029415400000000 ] - [ 0.0096122300000000, -0.0078420000000000, -0.0099964900000000 ] - [ 0.0061818600000000, -0.0003169100000000, -0.0068280600000000 ] - [ 0.0061396400000000, -0.0003158200000000, -0.0060844900000000 ] - [ 0.0062577600000000, 0.0007855800000000, -0.0066920000000000 ] - [ 0.0061504000000000, -0.0005743600000000, -0.0067895300000000 ] - [ 0.0060442300000000, 0.0004571800000000, -0.0088784500000000 ] - [ 0.0060566000000000, -0.0001435500000000, -0.0061496500000000 ] - [ -0.0064135500000000, 0.0007560300000000, 0.0051784200000000 ] - [ -0.0061573600000000, -0.0002717400000000, 0.0066784300000000 ] - [ -0.0054368300000000, 0.0007580800000000, 0.0071716100000000 ] - [ -0.0061290200000000, -0.0002718100000000, 0.0065206600000000 ] - [ -0.0056199700000000, -0.0000239900000000, 0.0064355500000000 ] - [ -0.0058874300000000, -0.0002824400000000, 0.0063969300000000 ] - [ -0.0057109200000000, -0.0000697700000000, 0.0063588100000000 ] - [ -0.0057698300000000, -0.0002105900000000, 0.0064831200000000 ] - [ 0.0060907100000000, -0.0001709200000000, -0.0062640100000000 ] - [ 0.0056820100000000, -0.0002909400000000, -0.0064207100000000 ] - [ 0.0057544400000000, -0.0000670400000000, -0.0064938000000000 ] - [ 0.0057141000000000, -0.0002215800000000, -0.0063512800000000 ] - [ 0.0057963600000000, 0.0001254200000000, -0.0064700800000000 ] - [ 0.0056695300000000, 0.0001228100000000, -0.0064082000000000 ] - [ 0.0058049800000000, 0.0001500900000000, -0.0065335900000000 ] - [ 0.0056613600000000, 0.0001503600000000, -0.0063464700000000 ] - [ -0.0057326200000000, 0.0002823100000000, 0.0064389400000000 ] - [ -0.0057318000000000, -0.0000039800000000, 0.0064410000000000 ] - [ -0.0057319300000000, 0.0002835600000000, 0.0064409100000000 ] - [ -0.0057339900000000, -0.0000055300000000, 0.0064410400000000 ]- atom: 65 displacement: [ -0.0018982353749662, 0.0000000000000000, 0.0098181822381349 ] forces: - [ -0.0010634300000000, -0.0005083300000000, 0.0049702100000000 ] - [ -0.0006521900000000, 0.0008437500000000, 0.0013221300000000 ] - [ 0.0019747100000000, 0.0024814800000000, -0.0015126000000000 ] - [ 0.0002083000000000, -0.0005002200000000, 0.0001081500000000 ] - [ -0.0016341200000000, 0.0003246600000000, 0.0038255700000000 ] - [ -0.0011889700000000, -0.0010044600000000, 0.0001596500000000 ] - [ 0.0014285900000000, -0.0026436600000000, -0.0026756700000000 ] - [ -0.0003289200000000, 0.0003370800000000, -0.0010559400000000 ] - [ -0.0002737700000000, 0.0000350000000000, -0.0027400400000000 ] - [ -0.0002769300000000, 0.0001310100000000, -0.0027362500000000 ] - [ -0.0003391800000000, -0.0012476200000000, 0.0002454800000000 ] - [ -0.0003376600000000, 0.0014139000000000, 0.0002447500000000 ] - [ 0.0007959100000000, 0.0000817000000000, -0.0015123200000000 ] - [ 0.0000376400000000, 0.0000847400000000, 0.0001605200000000 ] - [ 0.0008078300000000, 0.0000821200000000, 0.0048630400000000 ] - [ 0.0003059200000000, 0.0000849400000000, 0.0009543100000000 ] - [ -0.0000583500000000, 0.0000384300000000, -0.0002500000000000 ] - [ -0.0000428700000000, 0.0000409900000000, -0.0003765300000000 ] - [ -0.0003468100000000, 0.0000400900000000, -0.0006096200000000 ] - [ -0.0001093600000000, 0.0000403500000000, -0.0005064300000000 ] - [ 0.0001899700000000, -0.0000073900000000, 0.0005972600000000 ] - [ 0.0001911500000000, 0.0000884900000000, 0.0005971900000000 ] - [ 0.0000257200000000, -0.0002426200000000, 0.0003482900000000 ] - [ 0.0000282400000000, 0.0003210400000000, 0.0003479100000000 ] - [ 0.0000973300000000, -0.0001310100000000, 0.0000766700000000 ] - [ 0.0001679600000000, -0.0000111500000000, 0.0002525400000000 ] - [ 0.0001386300000000, -0.0003211500000000, 0.0006450500000000 ] - [ 0.0001403400000000, 0.0001080400000000, 0.0006430600000000 ] - [ -0.0001497900000000, 0.0000505500000000, -0.0007594400000000 ] - [ -0.0000815700000000, -0.0000680700000000, -0.0005830700000000 ] - [ -0.0001106600000000, 0.0002413100000000, -0.0001919200000000 ] - [ -0.0001093500000000, -0.0001865100000000, -0.0001936100000000 ] - [ 0.0064615300000000, 0.0002620800000000, -0.0065048300000000 ] - [ 0.0062834000000000, 0.0001890500000000, -0.0065910200000000 ] - [ 0.0062357900000000, 0.0001005500000000, -0.0066730500000000 ] - [ 0.0062876200000000, 0.0002473200000000, -0.0067229100000000 ] - [ -0.0063021600000000, 0.0001868600000000, 0.0065050700000000 ] - [ -0.0063434800000000, 0.0001676600000000, 0.0065266500000000 ] - [ -0.0061051300000000, 0.0002435300000000, 0.0067366800000000 ] - [ -0.0062948100000000, 0.0001065000000000, 0.0067284400000000 ] - [ -0.0063511900000000, -0.0001103900000000, 0.0066302400000000 ] - [ -0.0063518900000000, -0.0002069200000000, 0.0066276800000000 ] - [ -0.0062383400000000, -0.0000658500000000, 0.0066515700000000 ] - [ -0.0062364000000000, -0.0002519300000000, 0.0066528000000000 ] - [ 0.0062823200000000, -0.0001585800000000, -0.0064676900000000 ] - [ 0.0062629600000000, -0.0001559800000000, -0.0065721400000000 ] - [ 0.0058056900000000, -0.0001554000000000, -0.0065259900000000 ] - [ 0.0063063600000000, -0.0001562500000000, -0.0067259900000000 ] - [ 0.0047833100000000, 0.0001852000000000, -0.0051691800000000 ] - [ 0.0059229600000000, 0.0001759900000000, -0.0064249600000000 ] - [ 0.0070555900000000, 0.0001679000000000, 0.0039734900000000 ] - [ 0.0058624600000000, 0.0001773300000000, -0.0066340300000000 ] - [ -0.0048221600000000, -0.0000038000000000, 0.0056450000000000 ] - [ -0.0048252500000000, 0.0003594300000000, 0.0056475500000000 ] - [ -0.0060992900000000, 0.0009422700000000, 0.0073549200000000 ] - [ -0.0060976100000000, -0.0005817700000000, 0.0073543100000000 ] - [ -0.0066624900000000, -0.0007277700000000, 0.0071319400000000 ] - [ -0.0058474600000000, -0.0002362600000000, 0.0066892600000000 ] - [ -0.0060837500000000, 0.0010315600000000, 0.0072567600000000 ] - [ -0.0058559400000000, -0.0003958000000000, 0.0066858500000000 ] - [ 0.0055022400000000, -0.0004251800000000, -0.0052530800000000 ] - [ 0.0057175600000000, -0.0005009000000000, -0.0060371800000000 ] - [ 0.0066975400000000, -0.0025479500000000, -0.0093605300000000 ] - [ 0.0059816900000000, 0.0001430800000000, -0.0069034500000000 ] - [ -0.0019699100000000, -0.0001803800000000, -0.0155428800000000 ] - [ -0.0058198800000000, -0.0002052900000000, 0.0060354000000000 ] - [ -0.0063116300000000, -0.0002091100000000, 0.0071559200000000 ] - [ -0.0062249600000000, -0.0002074900000000, 0.0067498500000000 ] - [ 0.0040271900000000, -0.0043364100000000, -0.0041125800000000 ] - [ 0.0040154100000000, 0.0039156600000000, -0.0041181300000000 ] - [ 0.0061103400000000, 0.0001646000000000, -0.0066139800000000 ] - [ 0.0061046700000000, -0.0005753900000000, -0.0066131900000000 ] - [ 0.0058277600000000, 0.0004521900000000, -0.0051501900000000 ] - [ 0.0060422500000000, 0.0005284900000000, -0.0059351500000000 ] - [ 0.0070274800000000, 0.0025791300000000, -0.0092626400000000 ] - [ 0.0063044700000000, -0.0001159600000000, -0.0068017900000000 ] - [ -0.0069811600000000, 0.0007446400000000, 0.0070128900000000 ] - [ -0.0061720000000000, 0.0002653200000000, 0.0065866700000000 ] - [ -0.0064106300000000, -0.0010036900000000, 0.0071534200000000 ] - [ -0.0061827200000000, 0.0004241500000000, 0.0065830700000000 ] - [ -0.0057617000000000, -0.0001699900000000, 0.0063126300000000 ] - [ -0.0058093000000000, -0.0001539600000000, 0.0063340100000000 ] - [ -0.0055689400000000, -0.0002281100000000, 0.0065457000000000 ] - [ -0.0057576100000000, -0.0000914200000000, 0.0065348300000000 ] - [ 0.0059254800000000, -0.0002470300000000, -0.0063118500000000 ] - [ 0.0057461700000000, -0.0001737500000000, -0.0064018400000000 ] - [ 0.0056981400000000, -0.0000856400000000, -0.0064854000000000 ] - [ 0.0057477100000000, -0.0002314900000000, -0.0065337200000000 ] - [ 0.0057354900000000, 0.0001853700000000, -0.0063447500000000 ] - [ 0.0057353700000000, 0.0000984300000000, -0.0063440500000000 ] - [ 0.0057326500000000, 0.0002456700000000, -0.0065581100000000 ] - [ 0.0057321600000000, 0.0000352000000000, -0.0065576600000000 ] - [ -0.0057618800000000, 0.0001425400000000, 0.0064272100000000 ] - [ -0.0057897500000000, 0.0001440300000000, 0.0064490800000000 ] - [ -0.0056146800000000, 0.0001432600000000, 0.0064577500000000 ] - [ -0.0057419600000000, 0.0001433800000000, 0.0064589300000000 ]- atom: 65 displacement: [ 0.0018982353749662, 0.0000000000000000, -0.0098181822381349 ] forces: - [ 0.0016899800000000, 0.0002509500000000, -0.0038297300000000 ] - [ 0.0011873100000000, -0.0010028100000000, -0.0001588700000000 ] - [ -0.0014194400000000, -0.0026265200000000, 0.0026629900000000 ] - [ 0.0003296700000000, 0.0003303500000000, 0.0010539600000000 ] - [ 0.0011731900000000, -0.0004040900000000, -0.0050128100000000 ] - [ 0.0006453900000000, 0.0008312500000000, -0.0013195200000000 ] - [ -0.0019574900000000, 0.0024598000000000, 0.0014992500000000 ] - [ -0.0002074400000000, -0.0005004700000000, -0.0001087600000000 ] - [ -0.0002718900000000, 0.0001234900000000, 0.0015594800000000 ] - [ -0.0002723800000000, 0.0000385000000000, 0.0015565300000000 ] - [ -0.0002015400000000, 0.0014045400000000, -0.0013971200000000 ] - [ -0.0002010000000000, -0.0012394100000000, -0.0013988200000000 ] - [ -0.0002534900000000, 0.0000862800000000, 0.0026613600000000 ] - [ 0.0004984000000000, 0.0000814200000000, 0.0009976400000000 ] - [ -0.0001000100000000, 0.0000862300000000, -0.0033416200000000 ] - [ 0.0002370200000000, 0.0000827300000000, 0.0002157900000000 ] - [ -0.0001954600000000, 0.0000417600000000, -0.0005842100000000 ] - [ -0.0002069700000000, 0.0000417700000000, -0.0004579800000000 ] - [ 0.0000953600000000, 0.0000402700000000, -0.0002279500000000 ] - [ -0.0001379200000000, 0.0000404800000000, -0.0003319700000000 ] - [ 0.0000561800000000, 0.0000875200000000, 0.0002408700000000 ] - [ 0.0000578800000000, -0.0000114700000000, 0.0002406100000000 ] - [ 0.0002210000000000, 0.0003197800000000, 0.0004879800000000 ] - [ 0.0002220600000000, -0.0002405300000000, 0.0004883300000000 ] - [ 0.0001513900000000, 0.0000500300000000, 0.0007546800000000 ] - [ 0.0000792200000000, -0.0000670300000000, 0.0005795300000000 ] - [ 0.0001107000000000, 0.0002392200000000, 0.0001951900000000 ] - [ 0.0001099800000000, -0.0001870700000000, 0.0001962200000000 ] - [ -0.0000990800000000, -0.0001290100000000, -0.0000833100000000 ] - [ -0.0001680800000000, -0.0000114500000000, -0.0002547200000000 ] - [ -0.0001390600000000, -0.0003174300000000, -0.0006416600000000 ] - [ -0.0001391100000000, 0.0001060000000000, -0.0006399300000000 ] - [ 0.0060792500000000, 0.0000524900000000, -0.0067597500000000 ] - [ 0.0062528600000000, 0.0001281100000000, -0.0066708500000000 ] - [ 0.0063070100000000, 0.0002142100000000, -0.0065840300000000 ] - [ 0.0062532900000000, 0.0000701300000000, -0.0065373300000000 ] - [ -0.0062343300000000, 0.0001313700000000, 0.0067575800000000 ] - [ -0.0061891700000000, 0.0001433800000000, 0.0067327900000000 ] - [ -0.0064308000000000, 0.0000706700000000, 0.0065310300000000 ] - [ -0.0062402000000000, 0.0002057500000000, 0.0065476200000000 ] - [ -0.0061847700000000, -0.0002042300000000, 0.0066339100000000 ] - [ -0.0061801200000000, -0.0001161300000000, 0.0066302700000000 ] - [ -0.0063023600000000, -0.0002511800000000, 0.0066075000000000 ] - [ -0.0063033600000000, -0.0000689600000000, 0.0066069700000000 ] - [ 0.0062489900000000, -0.0001573400000000, -0.0067920300000000 ] - [ 0.0062682600000000, -0.0001519000000000, -0.0066876500000000 ] - [ 0.0067239100000000, -0.0001554300000000, -0.0067362200000000 ] - [ 0.0062312500000000, -0.0001545700000000, -0.0065422600000000 ] - [ 0.0069098300000000, 0.0001731400000000, -0.0079544800000000 ] - [ 0.0057391600000000, 0.0001816400000000, -0.0066923000000000 ] - [ 0.0046261900000000, 0.0001858100000000, -0.0169855400000000 ] - [ 0.0057982700000000, 0.0001793400000000, -0.0064914000000000 ] - [ -0.0068440400000000, 0.0003583200000000, 0.0074742800000000 ] - [ -0.0068424100000000, -0.0000046900000000, 0.0074690100000000 ] - [ -0.0055652500000000, -0.0005781600000000, 0.0057706300000000 ] - [ -0.0055648200000000, 0.0009308200000000, 0.0057738800000000 ] - [ -0.0049792500000000, 0.0004028000000000, 0.0059701300000000 ] - [ -0.0058150700000000, -0.0001208200000000, 0.0064343700000000 ] - [ -0.0055733600000000, -0.0013725700000000, 0.0058914600000000 ] - [ -0.0058057900000000, 0.0000370100000000, 0.0064376400000000 ] - [ 0.0061586700000000, 0.0000656000000000, -0.0078621000000000 ] - [ 0.0059484700000000, 0.0001481600000000, -0.0070816000000000 ] - [ 0.0049684900000000, 0.0021768400000000, -0.0037736600000000 ] - [ 0.0056793900000000, -0.0004970900000000, -0.0062202200000000 ] - [ -0.0107387700000000, -0.0002267800000000, 0.0280491800000000 ] - [ -0.0064887900000000, -0.0002066000000000, 0.0068796600000000 ] - [ -0.0060056200000000, -0.0002068700000000, 0.0057658900000000 ] - [ -0.0060899100000000, -0.0002025600000000, 0.0061682800000000 ] - [ 0.0082737200000000, 0.0038967000000000, -0.0087843900000000 ] - [ 0.0082836700000000, -0.0043042700000000, -0.0087845600000000 ] - [ 0.0062059800000000, -0.0005718800000000, -0.0063080100000000 ] - [ 0.0062059000000000, 0.0001594200000000, -0.0063038500000000 ] - [ 0.0064828100000000, -0.0000389900000000, -0.0077557500000000 ] - [ 0.0062713800000000, -0.0001160200000000, -0.0069807200000000 ] - [ 0.0052908400000000, -0.0021509100000000, -0.0036669000000000 ] - [ 0.0060083000000000, 0.0005234800000000, -0.0061189800000000 ] - [ -0.0053119500000000, -0.0003663300000000, 0.0058775900000000 ] - [ -0.0061406200000000, 0.0001508200000000, 0.0063320900000000 ] - [ -0.0059003600000000, 0.0014038700000000, 0.0057927400000000 ] - [ -0.0061295000000000, -0.0000123800000000, 0.0063298500000000 ] - [ -0.0057021900000000, -0.0001157400000000, 0.0065640500000000 ] - [ -0.0056566700000000, -0.0001300100000000, 0.0065403600000000 ] - [ -0.0058935200000000, -0.0000546700000000, 0.0063415000000000 ] - [ -0.0057051300000000, -0.0001909300000000, 0.0063480500000000 ] - [ 0.0055381000000000, -0.0000355400000000, -0.0065687000000000 ] - [ 0.0057096100000000, -0.0001132000000000, -0.0064876800000000 ] - [ 0.0057683000000000, -0.0001989600000000, -0.0063952500000000 ] - [ 0.0057146700000000, -0.0000556500000000, -0.0063488000000000 ] - [ 0.0057261800000000, 0.0000976900000000, -0.0065321900000000 ] - [ 0.0057219600000000, 0.0001800700000000, -0.0065305000000000 ] - [ 0.0057330800000000, 0.0000371300000000, -0.0063260400000000 ] - [ 0.0057333100000000, 0.0002417400000000, -0.0063256500000000 ] - [ -0.0056961400000000, 0.0001424700000000, 0.0064513200000000 ] - [ -0.0056675100000000, 0.0001485200000000, 0.0064329500000000 ] - [ -0.0058504400000000, 0.0001443100000000, 0.0064245100000000 ] - [ -0.0057232600000000, 0.0001445000000000, 0.0064208800000000 ]- atom: 81 displacement: [ 0.0099988104925089, 0.0000000000000000, 0.0001542359714647 ] forces: - [ -0.0003957900000000, -0.0000817300000000, 0.0004604300000000 ] - [ 0.0002304200000000, -0.0000835400000000, 0.0005909300000000 ] - [ 0.0002445300000000, -0.0000829800000000, 0.0005546300000000 ] - [ 0.0002951600000000, -0.0000835400000000, 0.0006213000000000 ] - [ -0.0006069000000000, 0.0003783600000000, -0.0004180600000000 ] - [ -0.0006066400000000, -0.0005449800000000, -0.0004177000000000 ] - [ -0.0002673100000000, 0.0000175500000000, -0.0005458000000000 ] - [ -0.0002674000000000, -0.0001831500000000, -0.0005454400000000 ] - [ -0.0002988300000000, 0.0001430900000000, -0.0005787200000000 ] - [ -0.0004310600000000, 0.0000187400000000, -0.0010895900000000 ] - [ -0.0002836500000000, 0.0002190200000000, -0.0005947400000000 ] - [ -0.0005601800000000, -0.0003835700000000, -0.0004477300000000 ] - [ 0.0001102000000000, 0.0001473700000000, 0.0000742600000000 ] - [ 0.0002417000000000, 0.0000221900000000, 0.0005842600000000 ] - [ -0.0000202700000000, 0.0005514500000000, 0.0007154300000000 ] - [ 0.0002567500000000, -0.0000539200000000, 0.0005687000000000 ] - [ 0.0114443400000000, 0.0078728900000000, -0.0036447100000000 ] - [ 0.0009545900000000, 0.0005812900000000, -0.0010487500000000 ] - [ 0.0004146700000000, -0.0002551400000000, 0.0001248300000000 ] - [ -0.0001339400000000, 0.0000104700000000, -0.0002832600000000 ] - [ 0.0012105700000000, -0.0005100100000000, -0.0002166600000000 ] - [ 0.0116193800000000, -0.0077471400000000, -0.0027952100000000 ] - [ 0.0001166800000000, 0.0000695000000000, 0.0005546200000000 ] - [ 0.0006656600000000, 0.0003362900000000, 0.0009627200000000 ] - [ 0.0008349500000000, 0.0003582700000000, 0.0016239400000000 ] - [ 0.0008316000000000, -0.0004347200000000, 0.0016161400000000 ] - [ 0.0005948600000000, 0.0002711200000000, 0.0004098900000000 ] - [ 0.0005938600000000, -0.0003529900000000, 0.0004090900000000 ] - [ 0.0003024600000000, -0.0000394800000000, -0.0000312900000000 ] - [ -0.0000927100000000, -0.0000406500000000, -0.0002917700000000 ] - [ 0.0084654900000000, -0.0000407100000000, 0.0097425600000000 ] - [ -0.0001389100000000, -0.0000414700000000, -0.0005393000000000 ] - [ 0.0072470700000000, 0.0001492100000000, -0.0075230700000000 ] - [ 0.0060677500000000, 0.0001593100000000, -0.0065755300000000 ] - [ 0.0067988000000000, 0.0001567700000000, -0.0051544900000000 ] - [ 0.0062635300000000, 0.0001605800000000, -0.0065994200000000 ] - [ -0.0077870000000000, -0.0001143000000000, 0.0073563700000000 ] - [ -0.0077783900000000, 0.0004237000000000, 0.0073573500000000 ] - [ -0.0064280100000000, 0.0001723300000000, 0.0063449800000000 ] - [ -0.0064283800000000, 0.0001375900000000, 0.0063445300000000 ] - [ -0.0063019000000000, -0.0001244600000000, 0.0066060000000000 ] - [ -0.0072623600000000, 0.0005766500000000, 0.0061876700000000 ] - [ -0.0063052400000000, -0.0001535300000000, 0.0066095500000000 ] - [ -0.0072551200000000, -0.0004307400000000, 0.0055940100000000 ] - [ 0.0061772100000000, -0.0002555800000000, -0.0069661100000000 ] - [ 0.0062214400000000, -0.0001408100000000, -0.0067530100000000 ] - [ 0.0065899000000000, 0.0000116500000000, -0.0057286200000000 ] - [ 0.0061725200000000, -0.0000548100000000, -0.0065065300000000 ] - [ 0.0065131600000000, -0.0001778800000000, -0.0062333400000000 ] - [ 0.0058242900000000, 0.0002254500000000, -0.0065486200000000 ] - [ 0.0058407700000000, 0.0001613600000000, -0.0065943000000000 ] - [ 0.0058149500000000, 0.0001957000000000, -0.0065497200000000 ] - [ -0.0056867400000000, 0.0000230700000000, 0.0065157500000000 ] - [ -0.0056900000000000, 0.0002922200000000, 0.0065551100000000 ] - [ -0.0058064800000000, 0.0001401300000000, 0.0065434200000000 ] - [ -0.0057754600000000, 0.0001989200000000, 0.0067425400000000 ] - [ -0.0057416400000000, -0.0002633500000000, 0.0066113000000000 ] - [ -0.0057451100000000, -0.0000909400000000, 0.0066110600000000 ] - [ -0.0057381900000000, -0.0003563600000000, 0.0064972600000000 ] - [ -0.0057390900000000, 0.0000039300000000, 0.0064982300000000 ] - [ 0.0058394900000000, -0.0001785600000000, -0.0065458800000000 ] - [ 0.0058128400000000, -0.0001791700000000, -0.0065683100000000 ] - [ 0.0067070400000000, -0.0001806600000000, -0.0068496400000000 ] - [ 0.0057955700000000, -0.0001795400000000, -0.0065320300000000 ] - [ -0.0060148200000000, -0.0003192500000000, 0.0064505400000000 ] - [ -0.0060131100000000, -0.0000514600000000, 0.0064095000000000 ] - [ -0.0060994700000000, -0.0002281600000000, 0.0066395100000000 ] - [ -0.0061344200000000, -0.0001671900000000, 0.0064379900000000 ] - [ 0.0061478800000000, -0.0002517200000000, -0.0064469000000000 ] - [ 0.0068406800000000, 0.0001484700000000, -0.0061318600000000 ] - [ 0.0061391900000000, -0.0002231600000000, -0.0064499200000000 ] - [ 0.0061665300000000, -0.0001895000000000, -0.0064925700000000 ] - [ 0.0061419200000000, 0.0001482400000000, -0.0064580200000000 ] - [ 0.0061462800000000, 0.0002660300000000, -0.0064587100000000 ] - [ 0.0061590100000000, 0.0001414400000000, -0.0064606400000000 ] - [ 0.0061612100000000, 0.0002738500000000, -0.0064601500000000 ] - [ -0.0060751900000000, 0.0002058900000000, 0.0065948200000000 ] - [ -0.0061197700000000, 0.0002050400000000, 0.0064557800000000 ] - [ -0.0060748700000000, 0.0002039700000000, 0.0064445600000000 ] - [ -0.0061187000000000, 0.0002043600000000, 0.0064047300000000 ] - [ -0.0421526100000000, -0.0001878700000000, 0.0035931800000000 ] - [ -0.0060816100000000, -0.0001428900000000, 0.0067022100000000 ] - [ -0.0057980200000000, -0.0001417900000000, 0.0062859400000000 ] - [ -0.0057216200000000, -0.0001379800000000, 0.0063795900000000 ] - [ 0.0077588600000000, 0.0032328700000000, -0.0081815300000000 ] - [ 0.0077614300000000, -0.0034936500000000, -0.0081718900000000 ] - [ 0.0057025500000000, -0.0001598800000000, -0.0065010400000000 ] - [ 0.0056996400000000, -0.0001283900000000, -0.0065027300000000 ] - [ 0.0056860600000000, 0.0001269000000000, -0.0065592900000000 ] - [ 0.0056440900000000, 0.0002389400000000, -0.0067734800000000 ] - [ 0.0056350300000000, 0.0000430000000000, -0.0063179100000000 ] - [ 0.0060492700000000, -0.0000325900000000, -0.0055433400000000 ] - [ -0.0067265900000000, -0.0005943100000000, 0.0059954400000000 ] - [ -0.0057665600000000, 0.0001101400000000, 0.0064132200000000 ] - [ -0.0067182900000000, 0.0004131000000000, 0.0054091900000000 ] - [ -0.0057654800000000, 0.0001417600000000, 0.0064223000000000 ]- atom: 81 displacement: [ -0.0099988104925089, 0.0000000000000000, -0.0001542359714647 ] forces: - [ 0.0009462200000000, -0.0000823900000000, 0.0007043800000000 ] - [ 0.0003102700000000, -0.0000832600000000, 0.0005710200000000 ] - [ 0.0002973900000000, -0.0000837600000000, 0.0006119100000000 ] - [ 0.0002439500000000, -0.0000814000000000, 0.0005425900000000 ] - [ 0.0000695400000000, -0.0005506000000000, -0.0007513200000000 ] - [ 0.0000684500000000, 0.0003862400000000, -0.0007507600000000 ] - [ -0.0002724400000000, -0.0001835800000000, -0.0006186700000000 ] - [ -0.0002738800000000, 0.0000168200000000, -0.0006195400000000 ] - [ -0.0002418500000000, 0.0000206900000000, -0.0005830900000000 ] - [ -0.0001084500000000, 0.0001463400000000, -0.0000639000000000 ] - [ -0.0002588300000000, -0.0000580000000000, -0.0005674900000000 ] - [ 0.0000243300000000, 0.0005578400000000, -0.0007189100000000 ] - [ 0.0004322400000000, 0.0000198700000000, 0.0010995700000000 ] - [ 0.0002974100000000, 0.0001448500000000, 0.0005792300000000 ] - [ 0.0005646900000000, -0.0003920100000000, 0.0004456500000000 ] - [ 0.0002830600000000, 0.0002225500000000, 0.0005959400000000 ] - [ -0.0115220900000000, -0.0075122600000000, 0.0026871400000000 ] - [ -0.0012115300000000, -0.0005039000000000, 0.0002161900000000 ] - [ -0.0006749500000000, 0.0003502900000000, -0.0009613900000000 ] - [ -0.0001144700000000, 0.0000677600000000, -0.0005558600000000 ] - [ -0.0009679400000000, 0.0005909000000000, 0.0010553800000000 ] - [ -0.0111955400000000, 0.0075411300000000, 0.0035062600000000 ] - [ 0.0001323900000000, 0.0000124100000000, 0.0002809500000000 ] - [ -0.0004256700000000, -0.0002704900000000, -0.0001254300000000 ] - [ -0.0005869100000000, -0.0004345900000000, -0.0007910600000000 ] - [ -0.0005860200000000, 0.0003570100000000, -0.0007857800000000 ] - [ -0.0003485300000000, -0.0003445200000000, 0.0004302000000000 ] - [ -0.0003458900000000, 0.0002656100000000, 0.0004271900000000 ] - [ -0.0005495000000000, -0.0000390200000000, -0.0008091600000000 ] - [ -0.0001563200000000, -0.0000392200000000, -0.0005467600000000 ] - [ -0.0087204500000000, -0.0000385200000000, -0.0103893600000000 ] - [ -0.0001077400000000, -0.0000405000000000, -0.0002956100000000 ] - [ 0.0053439300000000, 0.0001572100000000, -0.0057649300000000 ] - [ 0.0064731100000000, 0.0001582200000000, -0.0066846000000000 ] - [ 0.0057423100000000, 0.0001597500000000, -0.0081539200000000 ] - [ 0.0062797800000000, 0.0001545200000000, -0.0066616400000000 ] - [ -0.0047589400000000, 0.0004395400000000, 0.0059140900000000 ] - [ -0.0047628900000000, -0.0001114400000000, 0.0059071100000000 ] - [ -0.0061116900000000, 0.0001367600000000, 0.0069179200000000 ] - [ -0.0061163000000000, 0.0001799400000000, 0.0069205500000000 ] - [ -0.0062387700000000, -0.0001899400000000, 0.0066579800000000 ] - [ -0.0052820500000000, -0.0008901700000000, 0.0070761400000000 ] - [ -0.0062370700000000, -0.0001647300000000, 0.0066478100000000 ] - [ -0.0052833500000000, 0.0001115300000000, 0.0076713900000000 ] - [ 0.0063616200000000, -0.0000616800000000, -0.0062995200000000 ] - [ 0.0063245200000000, -0.0001717100000000, -0.0065054100000000 ] - [ 0.0059737100000000, -0.0003099600000000, -0.0075147000000000 ] - [ 0.0063708900000000, -0.0002584600000000, -0.0067572700000000 ] - [ 0.0051282700000000, 0.0005404600000000, -0.0068978600000000 ] - [ 0.0058420100000000, 0.0001308000000000, -0.0065736800000000 ] - [ 0.0058219900000000, 0.0001961800000000, -0.0065234000000000 ] - [ 0.0058442000000000, 0.0001633700000000, -0.0065723000000000 ] - [ -0.0059766400000000, 0.0003364000000000, 0.0066131000000000 ] - [ -0.0059721500000000, 0.0000642200000000, 0.0065654300000000 ] - [ -0.0058556800000000, 0.0002161400000000, 0.0065796700000000 ] - [ -0.0058871200000000, 0.0001545700000000, 0.0063763500000000 ] - [ -0.0059201500000000, -0.0000909600000000, 0.0065080700000000 ] - [ -0.0059220300000000, -0.0002685000000000, 0.0065099200000000 ] - [ -0.0059222700000000, 0.0000106600000000, 0.0066253900000000 ] - [ -0.0059213500000000, -0.0003665400000000, 0.0066264100000000 ] - [ 0.0058244200000000, -0.0001772900000000, -0.0065779300000000 ] - [ 0.0058493200000000, -0.0001757100000000, -0.0065506500000000 ] - [ 0.0049263000000000, -0.0001785100000000, -0.0062643700000000 ] - [ 0.0058660300000000, -0.0001769300000000, -0.0065870700000000 ] - [ -0.0062990300000000, -0.0000933700000000, 0.0064625700000000 ] - [ -0.0062994300000000, -0.0003632300000000, 0.0065094200000000 ] - [ -0.0062138900000000, -0.0001838700000000, 0.0062754700000000 ] - [ -0.0061773100000000, -0.0002433000000000, 0.0064779400000000 ] - [ 0.0061643600000000, -0.0001563400000000, -0.0064691800000000 ] - [ 0.0054560100000000, -0.0005714000000000, -0.0067915300000000 ] - [ 0.0061715700000000, -0.0001895100000000, -0.0064704800000000 ] - [ 0.0061466600000000, -0.0002259000000000, -0.0064200200000000 ] - [ 0.0061649400000000, 0.0002646300000000, -0.0064601600000000 ] - [ 0.0061699800000000, 0.0001444400000000, -0.0064602300000000 ] - [ 0.0061513300000000, 0.0002764400000000, -0.0064533000000000 ] - [ 0.0061526800000000, 0.0001358000000000, -0.0064544900000000 ] - [ -0.0062367700000000, 0.0002071900000000, 0.0063211400000000 ] - [ -0.0061947100000000, 0.0002084800000000, 0.0064580000000000 ] - [ -0.0062398900000000, 0.0002052500000000, 0.0064717100000000 ] - [ -0.0061937200000000, 0.0002067500000000, 0.0065075600000000 ] - [ 0.0303213700000000, -0.0001060300000000, 0.0093657200000000 ] - [ -0.0053865500000000, -0.0001405700000000, 0.0061749700000000 ] - [ -0.0056724600000000, -0.0001413300000000, 0.0065943700000000 ] - [ -0.0057437300000000, -0.0001439600000000, 0.0065005800000000 ] - [ 0.0037146500000000, -0.0035214100000000, -0.0046955100000000 ] - [ 0.0037088900000000, 0.0032200900000000, -0.0047027000000000 ] - [ 0.0057683200000000, -0.0001258600000000, -0.0063784700000000 ] - [ 0.0057703600000000, -0.0001569200000000, -0.0063766400000000 ] - [ 0.0057870800000000, 0.0001579300000000, -0.0063186300000000 ] - [ 0.0058276300000000, 0.0000449000000000, -0.0061045000000000 ] - [ 0.0058318100000000, 0.0002411700000000, -0.0065629000000000 ] - [ 0.0054389300000000, 0.0002981400000000, -0.0073271900000000 ] - [ -0.0047432000000000, 0.0008731300000000, 0.0068782000000000 ] - [ -0.0057036400000000, 0.0001778100000000, 0.0064667100000000 ] - [ -0.0047418000000000, -0.0001261200000000, 0.0074799500000000 ] - [ -0.0057053500000000, 0.0001469600000000, 0.0064540500000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002671600000000, 0.0004843600000000, 0.0005793000000000 ] - [ 0.0002711900000000, -0.0006191100000000, 0.0005818300000000 ] - [ 0.0002725600000000, 0.0001722700000000, 0.0005826600000000 ] - [ 0.0002709700000000, -0.0003580700000000, 0.0005828000000000 ] - [ -0.0003922300000000, -0.0001245000000000, -0.0006881100000000 ] - [ -0.0001506900000000, -0.0001305600000000, -0.0004760200000000 ] - [ -0.0002823100000000, -0.0000734600000000, -0.0005861400000000 ] - [ -0.0002572500000000, -0.0000788300000000, -0.0005764200000000 ] - [ -0.0003160900000000, -0.0002616000000000, -0.0005203700000000 ] - [ -0.0002247200000000, 0.0004596600000000, -0.0007716600000000 ] - [ -0.0003200200000000, -0.0001613400000000, -0.0007408300000000 ] - [ -0.0002174600000000, 0.0003513300000000, -0.0004787100000000 ] - [ 0.0002226600000000, 0.0004604500000000, 0.0007724400000000 ] - [ 0.0003169000000000, -0.0002625500000000, 0.0005211600000000 ] - [ 0.0002127200000000, 0.0003575400000000, 0.0004814200000000 ] - [ 0.0003185900000000, -0.0001617200000000, 0.0007397900000000 ] - [ 0.0009890600000000, 0.0044455000000000, 0.0001241600000000 ] - [ -0.0011928400000000, -0.0032664000000000, 0.0001401000000000 ] - [ -0.0002917800000000, 0.0006763900000000, -0.0005347200000000 ] - [ -0.0001868000000000, -0.0005378800000000, -0.0006570500000000 ] - [ 0.0011966100000000, -0.0032813200000000, -0.0001439800000000 ] - [ -0.0007304600000000, 0.0041951000000000, -0.0002394500000000 ] - [ 0.0001874800000000, -0.0005314100000000, 0.0006592500000000 ] - [ 0.0002740200000000, 0.0006487100000000, 0.0005496800000000 ] - [ 0.0007967000000000, -0.0003294200000000, 0.0031514200000000 ] - [ -0.0005470100000000, -0.0003384000000000, -0.0022954700000000 ] - [ 0.0004041800000000, -0.0007114700000000, -0.0006639200000000 ] - [ -0.0001531000000000, -0.0007237200000000, 0.0014863300000000 ] - [ -0.0001250400000000, 0.0018033600000000, -0.0004119500000000 ] - [ -0.0001241900000000, -0.0013750800000000, -0.0004130500000000 ] - [ -0.0001108700000000, 0.0051906100000000, -0.0003936900000000 ] - [ -0.0001224200000000, -0.0010592600000000, -0.0004207900000000 ] - [ 0.0062601600000000, -0.0042046000000000, -0.0066331100000000 ] - [ 0.0062749900000000, 0.0020460500000000, -0.0066351200000000 ] - [ 0.0062638100000000, 0.0000042400000000, -0.0066800900000000 ] - [ 0.0062691300000000, 0.0004815400000000, -0.0066310000000000 ] - [ -0.0059847000000000, 0.0015020500000000, 0.0068655300000000 ] - [ -0.0065286100000000, 0.0014204900000000, 0.0063915000000000 ] - [ -0.0062729600000000, 0.0001162100000000, 0.0058551600000000 ] - [ -0.0062619200000000, 0.0001265500000000, 0.0074015900000000 ] - [ -0.0062707400000000, 0.0003198900000000, 0.0064085500000000 ] - [ -0.0060221300000000, -0.0007121800000000, 0.0078943300000000 ] - [ -0.0063031300000000, 0.0003201700000000, 0.0065649600000000 ] - [ -0.0069911000000000, -0.0007021400000000, 0.0059251900000000 ] - [ 0.0061726000000000, -0.0007374600000000, -0.0064035900000000 ] - [ 0.0062818500000000, 0.0006214200000000, -0.0062990700000000 ] - [ 0.0064024900000000, -0.0004042600000000, -0.0041891100000000 ] - [ 0.0063719100000000, 0.0001918700000000, -0.0069346600000000 ] - [ 0.0054713300000000, 0.0002088000000000, -0.0067379800000000 ] - [ 0.0058795400000000, 0.0003257000000000, -0.0065823000000000 ] - [ 0.0058119900000000, 0.0001007000000000, -0.0065066300000000 ] - [ 0.0058464900000000, 0.0002549900000000, -0.0066481800000000 ] - [ -0.0056770300000000, 0.0003181600000000, 0.0066027100000000 ] - [ -0.0059412100000000, 0.0000606200000000, 0.0065677600000000 ] - [ -0.0057923200000000, 0.0002489900000000, 0.0065160100000000 ] - [ -0.0058566800000000, 0.0001068100000000, 0.0066451700000000 ] - [ -0.0056480300000000, -0.0001890900000000, 0.0065033300000000 ] - [ -0.0060152800000000, -0.0001907000000000, 0.0066186300000000 ] - [ -0.0057432900000000, -0.0001905300000000, 0.0065301500000000 ] - [ -0.0059199300000000, -0.0001905300000000, 0.0065896900000000 ] - [ 0.0058344700000000, -0.0004276800000000, -0.0065616500000000 ] - [ 0.0058299600000000, 0.0000070700000000, -0.0065611700000000 ] - [ 0.0058358000000000, -0.0003808300000000, -0.0065625100000000 ] - [ 0.0058324400000000, -0.0000368900000000, -0.0065601900000000 ] - [ -0.0060452900000000, -0.0003246500000000, 0.0064506600000000 ] - [ -0.0063108800000000, -0.0000644300000000, 0.0064158500000000 ] - [ -0.0061347900000000, -0.0002790300000000, 0.0063730400000000 ] - [ -0.0061947000000000, -0.0001357200000000, 0.0065017500000000 ] - [ 0.0061062500000000, -0.0000601000000000, -0.0064360400000000 ] - [ 0.0065151900000000, -0.0001756300000000, -0.0062833000000000 ] - [ 0.0061377300000000, -0.0001296200000000, -0.0063696500000000 ] - [ 0.0061759800000000, -0.0002808700000000, -0.0065099800000000 ] - [ 0.0060968900000000, 0.0002249200000000, -0.0064277500000000 ] - [ 0.0062186000000000, 0.0002261100000000, -0.0064880200000000 ] - [ 0.0060874400000000, 0.0001982300000000, -0.0063657300000000 ] - [ 0.0062254300000000, 0.0001988900000000, -0.0065509800000000 ] - [ -0.0061550300000000, 0.0000608700000000, 0.0064588500000000 ] - [ -0.0061589100000000, 0.0003556100000000, 0.0064572000000000 ] - [ -0.0061552300000000, 0.0000621100000000, 0.0064582500000000 ] - [ -0.0061578200000000, 0.0003551800000000, 0.0064572900000000 ] - [ -0.0060377100000000, -0.0223843500000000, 0.0065693400000000 ] - [ -0.0057320200000000, 0.0010880800000000, 0.0064415300000000 ] - [ -0.0057347500000000, -0.0005333100000000, 0.0064392200000000 ] - [ -0.0057309700000000, 0.0001745400000000, 0.0064377200000000 ] - [ 0.0091561500000000, 0.0074830300000000, -0.0099785200000000 ] - [ 0.0023153100000000, 0.0074236800000000, -0.0029263300000000 ] - [ 0.0057117700000000, -0.0000328800000000, -0.0060670300000000 ] - [ 0.0057556900000000, -0.0000299700000000, -0.0068082500000000 ] - [ 0.0057229900000000, 0.0009190900000000, -0.0067741700000000 ] - [ 0.0058345000000000, -0.0004348600000000, -0.0066778300000000 ] - [ 0.0056303700000000, 0.0004899900000000, -0.0061308200000000 ] - [ 0.0056163300000000, -0.0000969600000000, -0.0088424300000000 ] - [ -0.0059861600000000, -0.0004072100000000, 0.0051556900000000 ] - [ -0.0057305200000000, 0.0006221400000000, 0.0066584100000000 ] - [ -0.0050064300000000, -0.0004094000000000, 0.0071625900000000 ] - [ -0.0057008000000000, 0.0006219000000000, 0.0065055000000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002694700000000, -0.0006517600000000, 0.0005822300000000 ] - [ 0.0002702500000000, 0.0004546800000000, 0.0005826400000000 ] - [ 0.0002709100000000, -0.0003379200000000, 0.0005833700000000 ] - [ 0.0002696000000000, 0.0001918000000000, 0.0005826600000000 ] - [ -0.0001495000000000, -0.0000370500000000, -0.0004765900000000 ] - [ -0.0003921400000000, -0.0000387300000000, -0.0006882400000000 ] - [ -0.0002573500000000, -0.0000883100000000, -0.0005763200000000 ] - [ -0.0002827400000000, -0.0000910800000000, -0.0005865200000000 ] - [ -0.0002235100000000, 0.0004280700000000, -0.0006428400000000 ] - [ -0.0003187000000000, -0.0002959700000000, -0.0003907600000000 ] - [ -0.0002217600000000, 0.0003282000000000, -0.0004237800000000 ] - [ -0.0003247900000000, -0.0001898900000000, -0.0006861400000000 ] - [ 0.0003179100000000, -0.0002932700000000, 0.0003906500000000 ] - [ 0.0002233600000000, 0.0004280600000000, 0.0006433900000000 ] - [ 0.0003244800000000, -0.0001869400000000, 0.0006845100000000 ] - [ 0.0002220500000000, 0.0003276100000000, 0.0004218900000000 ] - [ -0.0010405300000000, -0.0041610500000000, -0.0010576500000000 ] - [ 0.0009467600000000, 0.0033574600000000, -0.0009796600000000 ] - [ 0.0000273700000000, -0.0005744700000000, -0.0002893100000000 ] - [ -0.0000607600000000, 0.0006119700000000, -0.0001778800000000 ] - [ -0.0009465400000000, 0.0033523900000000, 0.0009746600000000 ] - [ 0.0011758300000000, -0.0043237200000000, 0.0009768800000000 ] - [ 0.0000619800000000, 0.0006135100000000, 0.0001791800000000 ] - [ -0.0000406900000000, -0.0005901400000000, 0.0002983100000000 ] - [ -0.0005443800000000, 0.0002542600000000, -0.0022981200000000 ] - [ 0.0008001400000000, 0.0002554700000000, 0.0031498100000000 ] - [ -0.0001533800000000, 0.0006388300000000, 0.0014936300000000 ] - [ 0.0004051600000000, 0.0006363400000000, -0.0006591500000000 ] - [ -0.0001244800000000, -0.0018818300000000, -0.0004116900000000 ] - [ -0.0001241400000000, 0.0012961300000000, -0.0004189700000000 ] - [ -0.0001231200000000, -0.0052691300000000, -0.0004113100000000 ] - [ -0.0001223900000000, 0.0009793000000000, -0.0004195400000000 ] - [ 0.0062780400000000, 0.0045197000000000, -0.0066336400000000 ] - [ 0.0062712200000000, -0.0017296600000000, -0.0066293800000000 ] - [ 0.0062703400000000, 0.0003089900000000, -0.0066634800000000 ] - [ 0.0062740300000000, -0.0001650100000000, -0.0066291500000000 ] - [ -0.0065385800000000, -0.0011380600000000, 0.0063900600000000 ] - [ -0.0059911600000000, -0.0011530900000000, 0.0068630300000000 ] - [ -0.0062672900000000, 0.0001933200000000, 0.0074009200000000 ] - [ -0.0062791200000000, 0.0001945100000000, 0.0058556100000000 ] - [ -0.0062723500000000, -0.0006336800000000, 0.0068516200000000 ] - [ -0.0065249100000000, 0.0003927000000000, 0.0053568800000000 ] - [ -0.0062425500000000, -0.0006362400000000, 0.0066937300000000 ] - [ -0.0055480900000000, 0.0003887900000000, 0.0073555700000000 ] - [ 0.0063714500000000, 0.0004189000000000, -0.0068658400000000 ] - [ 0.0062621700000000, -0.0009341700000000, -0.0069639900000000 ] - [ 0.0061579200000000, 0.0000871300000000, -0.0090461300000000 ] - [ 0.0061699000000000, -0.0005056500000000, -0.0063258100000000 ] - [ 0.0061883400000000, 0.0001448600000000, -0.0063861600000000 ] - [ 0.0057877700000000, 0.0000286400000000, -0.0065367300000000 ] - [ 0.0058551500000000, 0.0002556200000000, -0.0066131500000000 ] - [ 0.0058155500000000, 0.0001049800000000, -0.0064732100000000 ] - [ -0.0059902700000000, 0.0000399900000000, 0.0065177500000000 ] - [ -0.0057206600000000, 0.0003008400000000, 0.0065540000000000 ] - [ -0.0058716200000000, 0.0001071600000000, 0.0066086300000000 ] - [ -0.0058124100000000, 0.0002460200000000, 0.0064750200000000 ] - [ -0.0060172900000000, -0.0001655900000000, 0.0066146100000000 ] - [ -0.0056544300000000, -0.0001649200000000, 0.0065011900000000 ] - [ -0.0059254000000000, -0.0001663500000000, 0.0065899700000000 ] - [ -0.0057438200000000, -0.0001666600000000, 0.0065331100000000 ] - [ 0.0058354300000000, 0.0000726000000000, -0.0065592800000000 ] - [ 0.0058357300000000, -0.0003667900000000, -0.0065593000000000 ] - [ 0.0058342900000000, 0.0000213800000000, -0.0065640800000000 ] - [ 0.0058339000000000, -0.0003155700000000, -0.0065616200000000 ] - [ -0.0062720200000000, -0.0000921400000000, 0.0064628700000000 ] - [ -0.0060038900000000, -0.0003500000000000, 0.0065013600000000 ] - [ -0.0061840100000000, -0.0001336700000000, 0.0065438600000000 ] - [ -0.0061217500000000, -0.0002732000000000, 0.0064092100000000 ] - [ 0.0062089900000000, -0.0003497100000000, -0.0064809500000000 ] - [ 0.0057982200000000, -0.0002350800000000, -0.0066330600000000 ] - [ 0.0061790700000000, -0.0002828100000000, -0.0065432500000000 ] - [ 0.0061412100000000, -0.0001348800000000, -0.0064030400000000 ] - [ 0.0062153300000000, 0.0001893500000000, -0.0064871500000000 ] - [ 0.0061010600000000, 0.0001869800000000, -0.0064314800000000 ] - [ 0.0062312700000000, 0.0002134800000000, -0.0065486700000000 ] - [ 0.0060904400000000, 0.0002120100000000, -0.0063618800000000 ] - [ -0.0061594800000000, 0.0003524600000000, 0.0064603700000000 ] - [ -0.0061597100000000, 0.0000535000000000, 0.0064579600000000 ] - [ -0.0061627600000000, 0.0003491400000000, 0.0064551800000000 ] - [ -0.0061607200000000, 0.0000592200000000, 0.0064561100000000 ] - [ -0.0059423900000000, 0.0221013500000000, 0.0065320000000000 ] - [ -0.0057389300000000, -0.0013727000000000, 0.0064401800000000 ] - [ -0.0057344600000000, 0.0002468600000000, 0.0064381500000000 ] - [ -0.0057356600000000, -0.0004574200000000, 0.0064401000000000 ] - [ 0.0023405200000000, -0.0077125500000000, -0.0029228700000000 ] - [ 0.0091776900000000, -0.0077640200000000, -0.0099797000000000 ] - [ 0.0057608500000000, -0.0002539500000000, -0.0068108000000000 ] - [ 0.0057148000000000, -0.0002521800000000, -0.0060663900000000 ] - [ 0.0057470600000000, -0.0006334400000000, -0.0061072000000000 ] - [ 0.0056385500000000, 0.0007186800000000, -0.0062092600000000 ] - [ 0.0058381800000000, -0.0002071100000000, -0.0067459400000000 ] - [ 0.0058693000000000, 0.0003825300000000, -0.0040095900000000 ] - [ -0.0054855100000000, 0.0006916300000000, 0.0077149100000000 ] - [ -0.0057370000000000, -0.0003345200000000, 0.0062196600000000 ] - [ -0.0064592500000000, 0.0006902600000000, 0.0057359200000000 ] - [ -0.0057706600000000, -0.0003355400000000, 0.0063733000000000 ]- atom: 81 displacement: [ -0.0018982353749662, 0.0000000000000000, 0.0098181822381349 ] forces: - [ 0.0003373600000000, -0.0000833000000000, 0.0007485200000000 ] - [ 0.0003530800000000, -0.0000827100000000, 0.0006234900000000 ] - [ 0.0000481300000000, -0.0000830000000000, 0.0003922300000000 ] - [ 0.0002840200000000, -0.0000820500000000, 0.0004954900000000 ] - [ -0.0002045700000000, -0.0001300300000000, -0.0004011800000000 ] - [ -0.0002023600000000, -0.0000354600000000, -0.0004029100000000 ] - [ -0.0003677600000000, -0.0003654300000000, -0.0006508800000000 ] - [ -0.0003685800000000, 0.0001995700000000, -0.0006497500000000 ] - [ -0.0002267100000000, 0.0000559200000000, -0.0007465000000000 ] - [ -0.0002979000000000, 0.0001728100000000, -0.0009246000000000 ] - [ -0.0002547300000000, -0.0000643700000000, -0.0003580200000000 ] - [ -0.0002555300000000, 0.0003615600000000, -0.0003556700000000 ] - [ 0.0002431400000000, -0.0000084000000000, 0.0002389200000000 ] - [ 0.0003138400000000, 0.0001111300000000, 0.0004167200000000 ] - [ 0.0002837800000000, -0.0001965000000000, 0.0008079100000000 ] - [ 0.0002870200000000, 0.0002302300000000, 0.0008057400000000 ] - [ -0.0014916900000000, 0.0004528000000000, 0.0039870700000000 ] - [ -0.0010416500000000, -0.0008851300000000, 0.0003218200000000 ] - [ 0.0015747500000000, -0.0025248100000000, -0.0025161500000000 ] - [ -0.0001849600000000, 0.0004606800000000, -0.0008899600000000 ] - [ -0.0007961500000000, 0.0009690200000000, 0.0011608200000000 ] - [ -0.0012115500000000, -0.0003909400000000, 0.0048022600000000 ] - [ 0.0000629600000000, -0.0003791900000000, -0.0000549100000000 ] - [ 0.0018273200000000, 0.0026075900000000, -0.0016785700000000 ] - [ 0.0001208500000000, -0.0000880900000000, -0.0017436100000000 ] - [ 0.0001188200000000, 0.0000120100000000, -0.0017417200000000 ] - [ 0.0000552800000000, -0.0013659100000000, 0.0012465800000000 ] - [ 0.0000558200000000, 0.0012892600000000, 0.0012459500000000 ] - [ 0.0004009800000000, -0.0000434600000000, -0.0025157600000000 ] - [ -0.0003564200000000, -0.0000367400000000, -0.0008394100000000 ] - [ 0.0004435700000000, -0.0000429300000000, 0.0038593500000000 ] - [ -0.0000875000000000, -0.0000393200000000, -0.0000471400000000 ] - [ 0.0052255700000000, 0.0001584400000000, -0.0052395200000000 ] - [ 0.0063586400000000, 0.0001546900000000, -0.0064959600000000 ] - [ 0.0074826000000000, 0.0001494700000000, 0.0039050400000000 ] - [ 0.0063053500000000, 0.0001591200000000, -0.0067029300000000 ] - [ -0.0052625800000000, -0.0000238000000000, 0.0057164100000000 ] - [ -0.0052640500000000, 0.0003429400000000, 0.0057160000000000 ] - [ -0.0065380300000000, 0.0009191000000000, 0.0074258400000000 ] - [ -0.0065342600000000, -0.0006045900000000, 0.0074256600000000 ] - [ -0.0062867000000000, -0.0000990800000000, 0.0067599300000000 ] - [ -0.0070920100000000, 0.0003806000000000, 0.0071930700000000 ] - [ -0.0062967100000000, 0.0000579200000000, 0.0067536900000000 ] - [ -0.0065278400000000, -0.0013757200000000, 0.0073401500000000 ] - [ 0.0059407700000000, 0.0000899900000000, -0.0053221900000000 ] - [ 0.0061542900000000, 0.0001659300000000, -0.0061084600000000 ] - [ 0.0071359700000000, 0.0022102300000000, -0.0094323100000000 ] - [ 0.0064199400000000, -0.0004809200000000, -0.0069748100000000 ] - [ 0.0060240400000000, 0.0000703800000000, -0.0064323400000000 ] - [ 0.0058446300000000, 0.0001480300000000, -0.0065190000000000 ] - [ 0.0057967700000000, 0.0002346100000000, -0.0066052100000000 ] - [ 0.0058478800000000, 0.0000896000000000, -0.0066537600000000 ] - [ -0.0059048200000000, 0.0001670800000000, 0.0064573600000000 ] - [ -0.0058601900000000, 0.0001512300000000, 0.0064326900000000 ] - [ -0.0058572300000000, 0.0002293100000000, 0.0066560700000000 ] - [ -0.0056645300000000, 0.0000905700000000, 0.0066669700000000 ] - [ -0.0059111800000000, -0.0001321500000000, 0.0065593800000000 ] - [ -0.0059125200000000, -0.0002245200000000, 0.0065606600000000 ] - [ -0.0057993000000000, -0.0000845600000000, 0.0065810100000000 ] - [ -0.0058003900000000, -0.0002699900000000, 0.0065829300000000 ] - [ 0.0058443700000000, -0.0001771500000000, -0.0063966100000000 ] - [ 0.0058233100000000, -0.0001787300000000, -0.0065015400000000 ] - [ 0.0053669800000000, -0.0001782700000000, -0.0064574800000000 ] - [ 0.0058671200000000, -0.0001793400000000, -0.0066552200000000 ] - [ -0.0061868700000000, -0.0001786600000000, 0.0063299800000000 ] - [ -0.0062311600000000, -0.0001949500000000, 0.0063515800000000 ] - [ -0.0059896000000000, -0.0001199800000000, 0.0065652800000000 ] - [ -0.0061818400000000, -0.0002570300000000, 0.0065514000000000 ] - [ 0.0061698900000000, -0.0001741700000000, -0.0064169500000000 ] - [ 0.0063483100000000, -0.0001007800000000, -0.0063286500000000 ] - [ 0.0061737700000000, -0.0001167600000000, -0.0065529900000000 ] - [ 0.0061220900000000, -0.0002631900000000, -0.0065016800000000 ] - [ 0.0061578000000000, 0.0002473600000000, -0.0063614000000000 ] - [ 0.0061596700000000, 0.0001647500000000, -0.0063639700000000 ] - [ 0.0061541900000000, 0.0003119000000000, -0.0065760800000000 ] - [ 0.0061546600000000, 0.0001027100000000, -0.0065773600000000 ] - [ -0.0061829000000000, 0.0002076300000000, 0.0064477900000000 ] - [ -0.0062137000000000, 0.0002055600000000, 0.0064676400000000 ] - [ -0.0060400300000000, 0.0002061600000000, 0.0064741500000000 ] - [ -0.0061670200000000, 0.0002045500000000, 0.0064757000000000 ] - [ -0.0015532000000000, -0.0001193300000000, -0.0155950200000000 ] - [ -0.0053996800000000, -0.0001419900000000, 0.0060164700000000 ] - [ -0.0058865100000000, -0.0001423000000000, 0.0071404500000000 ] - [ -0.0057997800000000, -0.0001409500000000, 0.0067311500000000 ] - [ 0.0036071200000000, -0.0042701500000000, -0.0040915300000000 ] - [ 0.0035945600000000, 0.0039838600000000, -0.0040945500000000 ] - [ 0.0056840000000000, 0.0002257000000000, -0.0065981300000000 ] - [ 0.0056827700000000, -0.0005150400000000, -0.0065962200000000 ] - [ 0.0056190900000000, -0.0001815600000000, -0.0059143600000000 ] - [ 0.0054021000000000, -0.0001075800000000, -0.0051271200000000 ] - [ 0.0058825400000000, 0.0004641500000000, -0.0067842500000000 ] - [ 0.0065933400000000, -0.0022209500000000, -0.0092432700000000 ] - [ -0.0065645700000000, -0.0004065100000000, 0.0070119300000000 ] - [ -0.0057489900000000, 0.0000849200000000, 0.0065684900000000 ] - [ -0.0059891200000000, 0.0013603900000000, 0.0071537200000000 ] - [ -0.0057594700000000, -0.0000729900000000, 0.0065660700000000 ]- atom: 81 displacement: [ 0.0018982353749662, 0.0000000000000000, -0.0098181822381349 ] forces: - [ 0.0002004200000000, -0.0000835100000000, 0.0004168400000000 ] - [ 0.0001884500000000, -0.0000825500000000, 0.0005398900000000 ] - [ 0.0004907700000000, -0.0000819500000000, 0.0007723700000000 ] - [ 0.0002561500000000, -0.0000829700000000, 0.0006690400000000 ] - [ -0.0003371400000000, -0.0000341300000000, -0.0007603400000000 ] - [ -0.0003384600000000, -0.0001322600000000, -0.0007586200000000 ] - [ -0.0001745700000000, 0.0001986000000000, -0.0005122700000000 ] - [ -0.0001739900000000, -0.0003630000000000, -0.0005136600000000 ] - [ -0.0003129900000000, 0.0001114200000000, -0.0004196100000000 ] - [ -0.0002452600000000, -0.0000074700000000, -0.0002464200000000 ] - [ -0.0002866300000000, 0.0002284500000000, -0.0008015200000000 ] - [ -0.0002851200000000, -0.0001943600000000, -0.0008067200000000 ] - [ 0.0002956000000000, 0.0001730100000000, 0.0009164400000000 ] - [ 0.0002266400000000, 0.0000542900000000, 0.0007442400000000 ] - [ 0.0002544800000000, 0.0003611300000000, 0.0003607200000000 ] - [ 0.0002537900000000, -0.0000629100000000, 0.0003600200000000 ] - [ 0.0013217800000000, -0.0002834600000000, -0.0048479600000000 ] - [ 0.0007886800000000, 0.0009551700000000, -0.0011556500000000 ] - [ -0.0018098900000000, 0.0025821300000000, 0.0016664900000000 ] - [ -0.0000624500000000, -0.0003778100000000, 0.0000548900000000 ] - [ 0.0010380700000000, -0.0008817600000000, -0.0003215000000000 ] - [ 0.0015428200000000, 0.0003761500000000, -0.0039921600000000 ] - [ 0.0001862600000000, 0.0004531000000000, 0.0008910100000000 ] - [ -0.0015633200000000, -0.0025063800000000, 0.0025004300000000 ] - [ 0.0001212000000000, 0.0000025900000000, 0.0025623000000000 ] - [ 0.0001213900000000, -0.0000849600000000, 0.0025583300000000 ] - [ 0.0001964700000000, 0.0012809800000000, -0.0004018400000000 ] - [ 0.0001958800000000, -0.0013612100000000, -0.0004020400000000 ] - [ -0.0006480000000000, -0.0000363000000000, 0.0016666900000000 ] - [ 0.0001078300000000, -0.0000418400000000, -0.0000035000000000 ] - [ -0.0005266800000000, -0.0000374700000000, -0.0043370100000000 ] - [ -0.0001584900000000, -0.0000412100000000, -0.0007853100000000 ] - [ 0.0073472600000000, 0.0001509900000000, -0.0080258100000000 ] - [ 0.0061803700000000, 0.0001619700000000, -0.0067606400000000 ] - [ 0.0050760000000000, 0.0001642000000000, -0.0170525800000000 ] - [ 0.0062390200000000, 0.0001597700000000, -0.0065572700000000 ] - [ -0.0072852200000000, 0.0003425300000000, 0.0075405200000000 ] - [ -0.0072791000000000, -0.0000273600000000, 0.0075371800000000 ] - [ -0.0060065400000000, -0.0005991100000000, 0.0058418000000000 ] - [ -0.0060074300000000, 0.0009116800000000, 0.0058475100000000 ] - [ -0.0062569900000000, -0.0002124000000000, 0.0065062800000000 ] - [ -0.0054261200000000, -0.0007318400000000, 0.0060491800000000 ] - [ -0.0062496700000000, -0.0003720500000000, 0.0065042300000000 ] - [ -0.0060117200000000, 0.0010457700000000, 0.0059520100000000 ] - [ 0.0065999600000000, -0.0004052500000000, -0.0079309100000000 ] - [ 0.0063856900000000, -0.0004780700000000, -0.0071537700000000 ] - [ 0.0054154800000000, -0.0025094500000000, -0.0038419300000000 ] - [ 0.0061240000000000, 0.0001641700000000, -0.0062943100000000 ] - [ 0.0056386800000000, 0.0002840100000000, -0.0066886000000000 ] - [ 0.0058174200000000, 0.0002041900000000, -0.0066012500000000 ] - [ 0.0058700800000000, 0.0001238700000000, -0.0065169300000000 ] - [ 0.0058162400000000, 0.0002697200000000, -0.0064671600000000 ] - [ -0.0057568700000000, 0.0001932100000000, 0.0066614500000000 ] - [ -0.0058028100000000, 0.0002071600000000, 0.0066840400000000 ] - [ -0.0058082100000000, 0.0001273300000000, 0.0064692000000000 ] - [ -0.0059981400000000, 0.0002594600000000, 0.0064571400000000 ] - [ -0.0057516200000000, -0.0002267800000000, 0.0065608800000000 ] - [ -0.0057534600000000, -0.0001325600000000, 0.0065603800000000 ] - [ -0.0058656200000000, -0.0002696600000000, 0.0065394900000000 ] - [ -0.0058649500000000, -0.0000883000000000, 0.0065434300000000 ] - [ 0.0058186000000000, -0.0001750100000000, -0.0067206300000000 ] - [ 0.0058406300000000, -0.0001767400000000, -0.0066167200000000 ] - [ 0.0062872800000000, -0.0001781900000000, -0.0066651200000000 ] - [ 0.0057951200000000, -0.0001767900000000, -0.0064728800000000 ] - [ -0.0061265900000000, -0.0002342700000000, 0.0065816700000000 ] - [ -0.0060814300000000, -0.0002209500000000, 0.0065597800000000 ] - [ -0.0063233900000000, -0.0002913500000000, 0.0063588900000000 ] - [ -0.0061315400000000, -0.0001516300000000, 0.0063649300000000 ] - [ 0.0061425200000000, -0.0002321800000000, -0.0064959300000000 ] - [ 0.0059686800000000, -0.0003110400000000, -0.0065826400000000 ] - [ 0.0061442000000000, -0.0002949800000000, -0.0063648700000000 ] - [ 0.0061959700000000, -0.0001553600000000, -0.0064097500000000 ] - [ 0.0061515800000000, 0.0001617600000000, -0.0065509700000000 ] - [ 0.0061547500000000, 0.0002468000000000, -0.0065550800000000 ] - [ 0.0061616800000000, 0.0001027900000000, -0.0063410200000000 ] - [ 0.0061629400000000, 0.0003074400000000, -0.0063405000000000 ] - [ -0.0061284700000000, 0.0002089500000000, 0.0064686500000000 ] - [ -0.0061004800000000, 0.0002074100000000, 0.0064523900000000 ] - [ -0.0062779600000000, 0.0002071900000000, 0.0064401900000000 ] - [ -0.0061495400000000, 0.0002071600000000, 0.0064370900000000 ] - [ -0.0103089900000000, -0.0001701000000000, 0.0280626900000000 ] - [ -0.0060664600000000, -0.0001409600000000, 0.0068573600000000 ] - [ -0.0055828800000000, -0.0001433100000000, 0.0057461000000000 ] - [ -0.0056674100000000, -0.0001375100000000, 0.0061505900000000 ] - [ 0.0078512000000000, 0.0039606000000000, -0.0087731200000000 ] - [ 0.0078569500000000, -0.0042380400000000, -0.0087736600000000 ] - [ 0.0057874100000000, -0.0005080900000000, -0.0062837100000000 ] - [ 0.0057846400000000, 0.0002239100000000, -0.0062824800000000 ] - [ 0.0058535300000000, 0.0004687200000000, -0.0069623300000000 ] - [ 0.0060628200000000, 0.0003858600000000, -0.0077424300000000 ] - [ 0.0055861500000000, -0.0001780000000000, -0.0061016300000000 ] - [ 0.0048788900000000, 0.0024890400000000, -0.0036569700000000 ] - [ -0.0048815400000000, 0.0007207500000000, 0.0058445000000000 ] - [ -0.0057178700000000, 0.0002039900000000, 0.0063148000000000 ] - [ -0.0054772900000000, -0.0010629700000000, 0.0057589200000000 ] - [ -0.0057130900000000, 0.0003584500000000, 0.0063167500000000 ]