# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/2a865426-4037-46af-90ef-988e899b8b06/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 K2Ge3(BO5)2 / C2 (5) / materials id 560019](https://mdr.nims.go.jp/datasets/634a4623-2067-4390-9cd1-9b80e34c70e2) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "C2" number: 5 Hall_symbol: "C 2y"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.979639730000000, -3.088996090000000, 0.003708185000000 ] # a - [ 7.979639730000000, 3.088996090000000, 0.003708185000000 ] # b - [ -7.884361650000000, 0.000000000000000, 8.958607949999999 ] # c points: - symbol: K # 1 coordinates: [ 0.208256660000000, 0.314133620000000, 0.113938930000000 ] mass: 39.098300 - symbol: K # 2 coordinates: [ 0.045944100000000, 0.656579580000000, 0.613622910000000 ] mass: 39.098300 - symbol: K # 3 coordinates: [ 0.685866380000000, 0.791743340000000, 0.886061070000000 ] mass: 39.098300 - symbol: K # 4 coordinates: [ 0.343420420000000, 0.954055900000000, 0.386377090000000 ] mass: 39.098300 - symbol: Ge # 5 coordinates: [ 0.103221630000000, 0.896778370000000, 0.000000000000000 ] mass: 72.640000 - symbol: Ge # 6 coordinates: [ 0.637773690000000, 0.280401930000000, 0.825155040000000 ] mass: 72.640000 - symbol: Ge # 7 coordinates: [ 0.807247960000000, 0.945543880000000, 0.316752890000000 ] mass: 72.640000 - symbol: Ge # 8 coordinates: [ 0.358380410000000, 0.641619590000000, 0.500000000000000 ] mass: 72.640000 - symbol: Ge # 9 coordinates: [ 0.054456120000000, 0.192752040000000, 0.683247110000000 ] mass: 72.640000 - symbol: Ge # 10 coordinates: [ 0.719598070000000, 0.362226310000000, 0.174844960000000 ] mass: 72.640000 - symbol: B # 11 coordinates: [ 0.622728960000000, 0.220573860000000, 0.558859400000000 ] mass: 10.811000 - symbol: B # 12 coordinates: [ 0.313150050000000, 0.404495330000000, 0.922057770000000 ] mass: 10.811000 - symbol: B # 13 coordinates: [ 0.779426140000000, 0.377271040000000, 0.441140600000000 ] mass: 10.811000 - symbol: B # 14 coordinates: [ 0.595504670000000, 0.686849950000000, 0.077942230000000 ] mass: 10.811000 - symbol: O # 15 coordinates: [ 0.257702860000000, 0.874925060000000, 0.659343290000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.682983690000000, 0.228894670000000, 0.322835800000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.510217650000000, 0.219105430000000, 0.853548750000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.373047220000000, 0.872714840000000, 0.125189200000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.771105330000000, 0.317016310000000, 0.677164200000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.810812710000000, 0.441974030000000, 0.369880180000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.780894570000000, 0.489782350000000, 0.146451250000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.125074940000000, 0.742297140000000, 0.340656710000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.933428380000000, 0.039920040000000, 0.112649250000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.754719500000000, 0.978409780000000, 0.453754290000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.127285160000000, 0.626952780000000, 0.874810800000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.390841570000000, 0.396538750000000, 0.474977310000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.185337960000000, 0.306575180000000, 0.871720150000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.413810320000000, 0.461979160000000, 0.087601400000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.538020840000000, 0.586189680000000, 0.912398600000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.603461250000000, 0.609158430000000, 0.525022690000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.021590220000000, 0.245280500000000, 0.546245710000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.693424820000000, 0.814662040000000, 0.128279850000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.558025970000000, 0.189187290000000, 0.630119820000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.960079960000000, 0.066571620000000, 0.887350750000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.062633854352792, -0.161864886012206, 0.055123291699670 ] # a* - [ 0.062633854352792, 0.161864886012206, 0.055123291699670 ] # b* - [ -0.000051851341302, -0.000000000000000, 0.111578851407728 ] # c*unit_cell: lattice: - [ 15.959279459999999, 0.000000000000000, 0.007416370000000 ] # a - [ 0.000000000000000, 6.177992180000000, 0.000000000000000 ] # b - [ -7.884361650000000, 0.000000000000000, 8.958607949999999 ] # c points: - symbol: K # 1 coordinates: [ 0.261195140000000, 0.052938480000000, 0.113938930000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.351261840000000, 0.305317740000000, 0.613622910000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 3 coordinates: [ 0.738804860000000, 0.052938480000000, 0.886061070000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 4 coordinates: [ 0.648738160000000, 0.305317740000000, 0.386377090000000 ] mass: 39.098300 reduced_to: 4 - symbol: K # 5 coordinates: [ 0.761195140000000, 0.552938480000000, 0.113938930000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 6 coordinates: [ 0.851261840000000, 0.805317740000000, 0.613622910000000 ] mass: 39.098300 reduced_to: 2 - symbol: K # 7 coordinates: [ 0.238804860000000, 0.552938480000000, 0.886061070000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 8 coordinates: [ 0.148738160000000, 0.805317740000000, 0.386377090000000 ] mass: 39.098300 reduced_to: 4 - symbol: Ge # 9 coordinates: [ 0.000000000000000, 0.896778370000000, 0.000000000000000 ] mass: 72.640000 reduced_to: 9 - symbol: Ge # 10 coordinates: [ 0.459087810000000, 0.821314120000000, 0.825155040000000 ] mass: 72.640000 reduced_to: 10 - symbol: Ge # 11 coordinates: [ 0.376395920000000, 0.569147960000000, 0.316752890000000 ] mass: 72.640000 reduced_to: 11 - symbol: Ge # 12 coordinates: [ 0.500000000000000, 0.141619590000000, 0.500000000000000 ] mass: 72.640000 reduced_to: 12 - symbol: Ge # 13 coordinates: [ 0.623604080000000, 0.569147960000000, 0.683247110000000 ] mass: 72.640000 reduced_to: 13 - symbol: Ge # 14 coordinates: [ 0.540912190000000, 0.821314120000000, 0.174844960000000 ] mass: 72.640000 reduced_to: 14 - symbol: Ge # 15 coordinates: [ 0.500000000000000, 0.396778370000000, 0.000000000000000 ] mass: 72.640000 reduced_to: 9 - symbol: Ge # 16 coordinates: [ 0.959087810000000, 0.321314120000000, 0.825155040000000 ] mass: 72.640000 reduced_to: 10 - symbol: Ge # 17 coordinates: [ 0.876395920000000, 0.069147960000000, 0.316752890000000 ] mass: 72.640000 reduced_to: 11 - symbol: Ge # 18 coordinates: [ 0.000000000000000, 0.641619590000000, 0.500000000000000 ] mass: 72.640000 reduced_to: 12 - symbol: Ge # 19 coordinates: [ 0.123604080000000, 0.069147960000000, 0.683247110000000 ] mass: 72.640000 reduced_to: 13 - symbol: Ge # 20 coordinates: [ 0.040912190000000, 0.321314120000000, 0.174844960000000 ] mass: 72.640000 reduced_to: 14 - symbol: B # 21 coordinates: [ 0.421651410000000, 0.798922450000000, 0.558859400000000 ] mass: 10.811000 reduced_to: 21 - symbol: B # 22 coordinates: [ 0.858822690000000, 0.545672640000000, 0.922057770000000 ] mass: 10.811000 reduced_to: 22 - symbol: B # 23 coordinates: [ 0.578348590000000, 0.798922450000000, 0.441140600000000 ] mass: 10.811000 reduced_to: 23 - symbol: B # 24 coordinates: [ 0.141177310000000, 0.545672640000000, 0.077942230000000 ] mass: 10.811000 reduced_to: 24 - symbol: B # 25 coordinates: [ 0.921651410000000, 0.298922450000000, 0.558859400000000 ] mass: 10.811000 reduced_to: 21 - symbol: B # 26 coordinates: [ 0.358822690000000, 0.045672640000000, 0.922057770000000 ] mass: 10.811000 reduced_to: 22 - symbol: B # 27 coordinates: [ 0.078348590000000, 0.298922450000000, 0.441140600000000 ] mass: 10.811000 reduced_to: 23 - symbol: B # 28 coordinates: [ 0.641177310000000, 0.045672640000000, 0.077942230000000 ] mass: 10.811000 reduced_to: 24 - symbol: O # 29 coordinates: [ 0.566313960000000, 0.308611100000000, 0.659343290000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.455939180000000, 0.772955490000000, 0.322835800000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.864661540000000, 0.354443890000000, 0.853548750000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.122881030000000, 0.749833810000000, 0.125189200000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.544060820000000, 0.772955490000000, 0.677164200000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.626393370000000, 0.815580660000000, 0.369880180000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.135338460000000, 0.354443890000000, 0.146451250000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.433686040000000, 0.308611100000000, 0.340656710000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.486674210000000, 0.553245830000000, 0.112649250000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.366564640000000, 0.611845140000000, 0.453754290000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.877118970000000, 0.749833810000000, 0.874810800000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.393690160000000, 0.002848590000000, 0.474977310000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.745956570000000, 0.560618610000000, 0.871720150000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.437894740000000, 0.024084420000000, 0.087601400000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.562105260000000, 0.024084420000000, 0.912398600000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.606309840000000, 0.002848590000000, 0.525022690000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.633435360000000, 0.611845140000000, 0.546245710000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.254043430000000, 0.560618610000000, 0.128279850000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.373606630000000, 0.815580660000000, 0.630119820000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.513325790000000, 0.553245830000000, 0.887350750000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.066313960000000, 0.808611100000000, 0.659343290000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 50 coordinates: [ 0.955939180000000, 0.272955490000000, 0.322835800000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 51 coordinates: [ 0.364661540000000, 0.854443890000000, 0.853548750000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 52 coordinates: [ 0.622881030000000, 0.249833810000000, 0.125189200000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 53 coordinates: [ 0.044060820000000, 0.272955490000000, 0.677164200000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 54 coordinates: [ 0.126393370000000, 0.315580660000000, 0.369880180000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 55 coordinates: [ 0.635338460000000, 0.854443890000000, 0.146451250000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 56 coordinates: [ 0.933686040000000, 0.808611100000000, 0.340656710000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 57 coordinates: [ 0.986674210000000, 0.053245830000000, 0.112649250000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 58 coordinates: [ 0.866564640000000, 0.111845140000000, 0.453754290000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 59 coordinates: [ 0.377118970000000, 0.249833810000000, 0.874810800000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 60 coordinates: [ 0.893690160000000, 0.502848590000000, 0.474977310000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 61 coordinates: [ 0.245956570000000, 0.060618610000000, 0.871720150000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 62 coordinates: [ 0.937894740000000, 0.524084420000000, 0.087601400000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 63 coordinates: [ 0.062105260000000, 0.524084420000000, 0.912398600000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 64 coordinates: [ 0.106309840000000, 0.502848590000000, 0.525022690000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 65 coordinates: [ 0.133435360000000, 0.111845140000000, 0.546245710000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 66 coordinates: [ 0.754043430000000, 0.060618610000000, 0.128279850000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 67 coordinates: [ 0.873606630000000, 0.315580660000000, 0.630119820000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 68 coordinates: [ 0.013325790000000, 0.053245830000000, 0.887350750000000 ] mass: 15.999400 reduced_to: 48supercell: lattice: - [ 15.959279459999999, 0.000000000000000, 0.007416370000000 ] # a - [ 0.000000000000000, 12.355984360000001, 0.000000000000000 ] # b - [ -7.884361650000000, 0.000000000000000, 8.958607949999999 ] # c points: - symbol: K # 1 coordinates: [ 0.261195140000000, 0.026469240000000, 0.113938930000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 2 coordinates: [ 0.261195140000000, 0.526469240000000, 0.113938930000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 3 coordinates: [ 0.351261840000000, 0.152658870000000, 0.613622910000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 4 coordinates: [ 0.351261840000000, 0.652658870000000, 0.613622910000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 5 coordinates: [ 0.738804860000000, 0.026469240000000, 0.886061070000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 6 coordinates: [ 0.738804860000000, 0.526469240000000, 0.886061070000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 7 coordinates: [ 0.648738160000000, 0.152658870000000, 0.386377090000000 ] mass: 39.098300 reduced_to: 7 - symbol: K # 8 coordinates: [ 0.648738160000000, 0.652658870000000, 0.386377090000000 ] mass: 39.098300 reduced_to: 7 - symbol: K # 9 coordinates: [ 0.761195140000000, 0.276469240000000, 0.113938930000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 10 coordinates: [ 0.761195140000000, 0.776469240000000, 0.113938930000000 ] mass: 39.098300 reduced_to: 1 - symbol: K # 11 coordinates: [ 0.851261840000000, 0.402658870000000, 0.613622910000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 12 coordinates: [ 0.851261840000000, 0.902658870000000, 0.613622910000000 ] mass: 39.098300 reduced_to: 3 - symbol: K # 13 coordinates: [ 0.238804860000000, 0.276469240000000, 0.886061070000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 14 coordinates: [ 0.238804860000000, 0.776469240000000, 0.886061070000000 ] mass: 39.098300 reduced_to: 5 - symbol: K # 15 coordinates: [ 0.148738160000000, 0.402658870000000, 0.386377090000000 ] mass: 39.098300 reduced_to: 7 - symbol: K # 16 coordinates: [ 0.148738160000000, 0.902658870000000, 0.386377090000000 ] mass: 39.098300 reduced_to: 7 - symbol: Ge # 17 coordinates: [ 0.000000000000000, 0.448389185000000, 0.000000000000000 ] mass: 72.640000 reduced_to: 17 - symbol: Ge # 18 coordinates: [ 0.000000000000000, 0.948389185000000, 0.000000000000000 ] mass: 72.640000 reduced_to: 17 - symbol: Ge # 19 coordinates: [ 0.459087810000000, 0.410657060000000, 0.825155040000000 ] mass: 72.640000 reduced_to: 19 - symbol: Ge # 20 coordinates: [ 0.459087810000000, 0.910657060000000, 0.825155040000000 ] mass: 72.640000 reduced_to: 19 - symbol: Ge # 21 coordinates: [ 0.376395920000000, 0.284573980000000, 0.316752890000000 ] mass: 72.640000 reduced_to: 21 - symbol: Ge # 22 coordinates: [ 0.376395920000000, 0.784573980000000, 0.316752890000000 ] mass: 72.640000 reduced_to: 21 - symbol: Ge # 23 coordinates: [ 0.500000000000000, 0.070809795000000, 0.500000000000000 ] mass: 72.640000 reduced_to: 23 - symbol: Ge # 24 coordinates: [ 0.500000000000000, 0.570809795000000, 0.500000000000000 ] mass: 72.640000 reduced_to: 23 - symbol: Ge # 25 coordinates: [ 0.623604080000000, 0.284573980000000, 0.683247110000000 ] mass: 72.640000 reduced_to: 25 - symbol: Ge # 26 coordinates: [ 0.623604080000000, 0.784573980000000, 0.683247110000000 ] mass: 72.640000 reduced_to: 25 - symbol: Ge # 27 coordinates: [ 0.540912190000000, 0.410657060000000, 0.174844960000000 ] mass: 72.640000 reduced_to: 27 - symbol: Ge # 28 coordinates: [ 0.540912190000000, 0.910657060000000, 0.174844960000000 ] mass: 72.640000 reduced_to: 27 - symbol: Ge # 29 coordinates: [ 0.500000000000000, 0.198389185000000, 0.000000000000000 ] mass: 72.640000 reduced_to: 17 - symbol: Ge # 30 coordinates: [ 0.500000000000000, 0.698389185000000, 0.000000000000000 ] mass: 72.640000 reduced_to: 17 - symbol: Ge # 31 coordinates: [ 0.959087810000000, 0.160657060000000, 0.825155040000000 ] mass: 72.640000 reduced_to: 19 - symbol: Ge # 32 coordinates: [ 0.959087810000000, 0.660657060000000, 0.825155040000000 ] mass: 72.640000 reduced_to: 19 - symbol: Ge # 33 coordinates: [ 0.876395920000000, 0.034573980000000, 0.316752890000000 ] mass: 72.640000 reduced_to: 21 - symbol: Ge # 34 coordinates: [ 0.876395920000000, 0.534573980000000, 0.316752890000000 ] mass: 72.640000 reduced_to: 21 - symbol: Ge # 35 coordinates: [ 0.000000000000000, 0.320809795000000, 0.500000000000000 ] mass: 72.640000 reduced_to: 23 - symbol: Ge # 36 coordinates: [ 0.000000000000000, 0.820809795000000, 0.500000000000000 ] mass: 72.640000 reduced_to: 23 - symbol: Ge # 37 coordinates: [ 0.123604080000000, 0.034573980000000, 0.683247110000000 ] mass: 72.640000 reduced_to: 25 - symbol: Ge # 38 coordinates: [ 0.123604080000000, 0.534573980000000, 0.683247110000000 ] mass: 72.640000 reduced_to: 25 - symbol: Ge # 39 coordinates: [ 0.040912190000000, 0.160657060000000, 0.174844960000000 ] mass: 72.640000 reduced_to: 27 - symbol: Ge # 40 coordinates: [ 0.040912190000000, 0.660657060000000, 0.174844960000000 ] mass: 72.640000 reduced_to: 27 - symbol: B # 41 coordinates: [ 0.421651410000000, 0.399461225000000, 0.558859400000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 42 coordinates: [ 0.421651410000000, 0.899461225000000, 0.558859400000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 43 coordinates: [ 0.858822690000000, 0.272836320000000, 0.922057770000000 ] mass: 10.811000 reduced_to: 43 - symbol: B # 44 coordinates: [ 0.858822690000000, 0.772836320000000, 0.922057770000000 ] mass: 10.811000 reduced_to: 43 - symbol: B # 45 coordinates: [ 0.578348590000000, 0.399461225000000, 0.441140600000000 ] mass: 10.811000 reduced_to: 45 - symbol: B # 46 coordinates: [ 0.578348590000000, 0.899461225000000, 0.441140600000000 ] mass: 10.811000 reduced_to: 45 - symbol: B # 47 coordinates: [ 0.141177310000000, 0.272836320000000, 0.077942230000000 ] mass: 10.811000 reduced_to: 47 - symbol: B # 48 coordinates: [ 0.141177310000000, 0.772836320000000, 0.077942230000000 ] mass: 10.811000 reduced_to: 47 - symbol: B # 49 coordinates: [ 0.921651410000000, 0.149461225000000, 0.558859400000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 50 coordinates: [ 0.921651410000000, 0.649461225000000, 0.558859400000000 ] mass: 10.811000 reduced_to: 41 - symbol: B # 51 coordinates: [ 0.358822690000000, 0.022836320000000, 0.922057770000000 ] mass: 10.811000 reduced_to: 43 - symbol: B # 52 coordinates: [ 0.358822690000000, 0.522836320000000, 0.922057770000000 ] mass: 10.811000 reduced_to: 43 - symbol: B # 53 coordinates: [ 0.078348590000000, 0.149461225000000, 0.441140600000000 ] mass: 10.811000 reduced_to: 45 - symbol: B # 54 coordinates: [ 0.078348590000000, 0.649461225000000, 0.441140600000000 ] mass: 10.811000 reduced_to: 45 - symbol: B # 55 coordinates: [ 0.641177310000000, 0.022836320000000, 0.077942230000000 ] mass: 10.811000 reduced_to: 47 - symbol: B # 56 coordinates: [ 0.641177310000000, 0.522836320000000, 0.077942230000000 ] mass: 10.811000 reduced_to: 47 - symbol: O # 57 coordinates: [ 0.566313960000000, 0.154305550000000, 0.659343290000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.566313960000000, 0.654305550000000, 0.659343290000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.455939180000000, 0.386477745000000, 0.322835800000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.455939180000000, 0.886477745000000, 0.322835800000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.864661540000000, 0.177221945000000, 0.853548750000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.864661540000000, 0.677221945000000, 0.853548750000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.122881030000000, 0.374916905000000, 0.125189200000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.122881030000000, 0.874916905000000, 0.125189200000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.544060820000000, 0.386477745000000, 0.677164200000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.544060820000000, 0.886477745000000, 0.677164200000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.626393370000000, 0.407790330000000, 0.369880180000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.626393370000000, 0.907790330000000, 0.369880180000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.135338460000000, 0.177221945000000, 0.146451250000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.135338460000000, 0.677221945000000, 0.146451250000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.433686040000000, 0.154305550000000, 0.340656710000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.433686040000000, 0.654305550000000, 0.340656710000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 73 coordinates: [ 0.486674210000000, 0.276622915000000, 0.112649250000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.486674210000000, 0.776622915000000, 0.112649250000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.366564640000000, 0.305922570000000, 0.453754290000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.366564640000000, 0.805922570000000, 0.453754290000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.877118970000000, 0.374916905000000, 0.874810800000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.877118970000000, 0.874916905000000, 0.874810800000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.393690160000000, 0.001424295000000, 0.474977310000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.393690160000000, 0.501424295000000, 0.474977310000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.745956570000000, 0.280309305000000, 0.871720150000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.745956570000000, 0.780309305000000, 0.871720150000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.437894740000000, 0.012042210000000, 0.087601400000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.437894740000000, 0.512042210000000, 0.087601400000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 85 coordinates: [ 0.562105260000000, 0.012042210000000, 0.912398600000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.562105260000000, 0.512042210000000, 0.912398600000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.606309840000000, 0.001424295000000, 0.525022690000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.606309840000000, 0.501424295000000, 0.525022690000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 89 coordinates: [ 0.633435360000000, 0.305922570000000, 0.546245710000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.633435360000000, 0.805922570000000, 0.546245710000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.254043430000000, 0.280309305000000, 0.128279850000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.254043430000000, 0.780309305000000, 0.128279850000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.373606630000000, 0.407790330000000, 0.630119820000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.373606630000000, 0.907790330000000, 0.630119820000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.513325790000000, 0.276622915000000, 0.887350750000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.513325790000000, 0.776622915000000, 0.887350750000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 97 coordinates: [ 0.066313960000000, 0.404305550000000, 0.659343290000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 98 coordinates: [ 0.066313960000000, 0.904305550000000, 0.659343290000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 99 coordinates: [ 0.955939180000000, 0.136477745000000, 0.322835800000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 100 coordinates: [ 0.955939180000000, 0.636477745000000, 0.322835800000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 101 coordinates: [ 0.364661540000000, 0.427221945000000, 0.853548750000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 102 coordinates: [ 0.364661540000000, 0.927221945000000, 0.853548750000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 103 coordinates: [ 0.622881030000000, 0.124916905000000, 0.125189200000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 104 coordinates: [ 0.622881030000000, 0.624916905000000, 0.125189200000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 105 coordinates: [ 0.044060820000000, 0.136477745000000, 0.677164200000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 106 coordinates: [ 0.044060820000000, 0.636477745000000, 0.677164200000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 107 coordinates: [ 0.126393370000000, 0.157790330000000, 0.369880180000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 108 coordinates: [ 0.126393370000000, 0.657790330000000, 0.369880180000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 109 coordinates: [ 0.635338460000000, 0.427221945000000, 0.146451250000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 110 coordinates: [ 0.635338460000000, 0.927221945000000, 0.146451250000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 111 coordinates: [ 0.933686040000000, 0.404305550000000, 0.340656710000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 112 coordinates: [ 0.933686040000000, 0.904305550000000, 0.340656710000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 113 coordinates: [ 0.986674210000000, 0.026622915000000, 0.112649250000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 114 coordinates: [ 0.986674210000000, 0.526622915000000, 0.112649250000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 115 coordinates: [ 0.866564640000000, 0.055922570000000, 0.453754290000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 116 coordinates: [ 0.866564640000000, 0.555922570000000, 0.453754290000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 117 coordinates: [ 0.377118970000000, 0.124916905000000, 0.874810800000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 118 coordinates: [ 0.377118970000000, 0.624916905000000, 0.874810800000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 119 coordinates: [ 0.893690160000000, 0.251424295000000, 0.474977310000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 120 coordinates: [ 0.893690160000000, 0.751424295000000, 0.474977310000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 121 coordinates: [ 0.245956570000000, 0.030309305000000, 0.871720150000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 122 coordinates: [ 0.245956570000000, 0.530309305000000, 0.871720150000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 123 coordinates: [ 0.937894740000000, 0.262042210000000, 0.087601400000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 124 coordinates: [ 0.937894740000000, 0.762042210000000, 0.087601400000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 125 coordinates: [ 0.062105260000000, 0.262042210000000, 0.912398600000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 126 coordinates: [ 0.062105260000000, 0.762042210000000, 0.912398600000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 127 coordinates: [ 0.106309840000000, 0.251424295000000, 0.525022690000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 128 coordinates: [ 0.106309840000000, 0.751424295000000, 0.525022690000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 129 coordinates: [ 0.133435360000000, 0.055922570000000, 0.546245710000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 130 coordinates: [ 0.133435360000000, 0.555922570000000, 0.546245710000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 131 coordinates: [ 0.754043430000000, 0.030309305000000, 0.128279850000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 132 coordinates: [ 0.754043430000000, 0.530309305000000, 0.128279850000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 133 coordinates: [ 0.873606630000000, 0.157790330000000, 0.630119820000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 134 coordinates: [ 0.873606630000000, 0.657790330000000, 0.630119820000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 135 coordinates: [ 0.013325790000000, 0.026622915000000, 0.887350750000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 136 coordinates: [ 0.013325790000000, 0.526622915000000, 0.887350750000000 ] mass: 15.999400 reduced_to: 95displacements:- atom: 1 displacement: [ 0.0099999989202427, 0.0000000000000000, 0.0000046470576681 ] forces: - [ -0.0192443300000000, -0.0019669300000000, -0.0005884900000000 ] - [ -0.0006242900000000, -0.0000187200000000, -0.0000548600000000 ] - [ 0.0002566000000000, -0.0000380600000000, -0.0008514100000000 ] - [ 0.0001387600000000, -0.0000455300000000, -0.0003546500000000 ] - [ 0.0008355600000000, 0.0000177900000000, 0.0002400800000000 ] - [ 0.0004481900000000, -0.0000308400000000, 0.0000637700000000 ] - [ 0.0005205500000000, 0.0004342500000000, 0.0010018200000000 ] - [ -0.0000164600000000, -0.0002559200000000, 0.0003746500000000 ] - [ 0.0003536700000000, 0.0000421400000000, 0.0000737600000000 ] - [ 0.0003538900000000, -0.0000865400000000, 0.0000503800000000 ] - [ 0.0001860900000000, -0.0001223800000000, 0.0003742700000000 ] - [ 0.0002666700000000, 0.0002104100000000, 0.0009500000000000 ] - [ -0.0004996200000000, 0.0013333900000000, -0.0008650500000000 ] - [ -0.0004997900000000, -0.0012850500000000, -0.0008075700000000 ] - [ -0.0000729600000000, -0.0002090600000000, -0.0003894000000000 ] - [ 0.0005826700000000, 0.0003491700000000, -0.0011160800000000 ] - [ 0.0004328700000000, -0.0006877700000000, 0.0003185800000000 ] - [ 0.0091052000000000, 0.0033603500000000, 0.0036900700000000 ] - [ -0.0000231800000000, 0.0005164500000000, -0.0004544800000000 ] - [ 0.0015315100000000, -0.0002951300000000, -0.0012141900000000 ] - [ -0.0027103200000000, 0.0017039900000000, -0.0007948200000000 ] - [ -0.0044607100000000, -0.0018966400000000, -0.0004949200000000 ] - [ -0.0025936300000000, -0.0002424100000000, 0.0032318000000000 ] - [ -0.0002127100000000, -0.0000024600000000, 0.0003322100000000 ] - [ 0.0003408400000000, 0.0002464000000000, 0.0008735500000000 ] - [ -0.0002422500000000, -0.0001845500000000, 0.0011140900000000 ] - [ 0.0004423000000000, 0.0010154700000000, 0.0004712600000000 ] - [ 0.0046319400000000, -0.0036487700000000, 0.0022347300000000 ] - [ 0.0017699100000000, 0.0017611400000000, -0.0001906200000000 ] - [ 0.0008339400000000, -0.0011562900000000, -0.0006527000000000 ] - [ 0.0010676000000000, -0.0036538900000000, 0.0044865000000000 ] - [ -0.0000670400000000, 0.0006683400000000, 0.0012239200000000 ] - [ 0.0010657200000000, 0.0003334700000000, 0.0005524500000000 ] - [ 0.0006376800000000, -0.0000259000000000, 0.0004335600000000 ] - [ 0.0000296700000000, 0.0000772800000000, -0.0002039200000000 ] - [ 0.0001799100000000, -0.0002783100000000, -0.0006143300000000 ] - [ -0.0025234900000000, 0.0002927000000000, -0.0046238300000000 ] - [ -0.0005590200000000, -0.0000164500000000, -0.0006410600000000 ] - [ 0.0050751100000000, -0.0015398100000000, -0.0017235100000000 ] - [ 0.0010332900000000, 0.0007962100000000, -0.0007930500000000 ] - [ 0.0001325500000000, -0.0001185400000000, -0.0000555000000000 ] - [ 0.0002791000000000, 0.0004490500000000, -0.0007101000000000 ] - [ 0.0006740600000000, -0.0007989500000000, 0.0006879600000000 ] - [ 0.0008991500000000, 0.0012286800000000, 0.0002195400000000 ] - [ 0.0000107600000000, -0.0000196300000000, 0.0003203600000000 ] - [ 0.0009060700000000, -0.0004878100000000, 0.0023787100000000 ] - [ -0.0022227900000000, -0.0048631300000000, 0.0002741300000000 ] - [ -0.0024924700000000, 0.0051378800000000, 0.0004505000000000 ] - [ -0.0014607200000000, 0.0001929800000000, 0.0004501000000000 ] - [ -0.0005656300000000, -0.0001176600000000, 0.0004153800000000 ] - [ 0.0033800200000000, 0.0004344000000000, -0.0050327900000000 ] - [ -0.0008641700000000, -0.0000889800000000, -0.0000498700000000 ] - [ 0.0014507600000000, 0.0006681600000000, -0.0013866100000000 ] - [ 0.0006177700000000, -0.0000890500000000, -0.0005027200000000 ] - [ 0.0018892500000000, 0.0005424700000000, -0.0002728400000000 ] - [ 0.0009841100000000, -0.0000684700000000, -0.0001493600000000 ] - [ -0.0001075300000000, -0.0002438500000000, -0.0006427900000000 ] - [ -0.0001582100000000, -0.0000446100000000, -0.0001103100000000 ] - [ 0.0002914400000000, -0.0001873100000000, 0.0000366000000000 ] - [ 0.0018471800000000, 0.0010770500000000, -0.0005973500000000 ] - [ -0.0011647800000000, 0.0012102700000000, -0.0004351200000000 ] - [ -0.0002895800000000, -0.0002005300000000, -0.0002977600000000 ] - [ 0.0000205400000000, 0.0010979800000000, 0.0004999300000000 ] - [ 0.0007401100000000, -0.0027047400000000, -0.0002984000000000 ] - [ -0.0001533200000000, 0.0001399500000000, -0.0000832700000000 ] - [ 0.0001201300000000, -0.0000171000000000, 0.0001156400000000 ] - [ 0.0001973200000000, -0.0000242400000000, -0.0004894100000000 ] - [ -0.0002583900000000, 0.0005649400000000, -0.0014235200000000 ] - [ 0.0004770900000000, 0.0018435100000000, -0.0003535200000000 ] - [ 0.0001842900000000, -0.0011572900000000, 0.0003072300000000 ] - [ 0.0027998000000000, 0.0008455300000000, 0.0015877500000000 ] - [ 0.0005867500000000, 0.0005258100000000, -0.0001221500000000 ] - [ -0.0005827300000000, -0.0010736800000000, -0.0002366300000000 ] - [ -0.0009646300000000, 0.0015574100000000, 0.0003724400000000 ] - [ 0.0008183200000000, -0.0001668800000000, 0.0001017000000000 ] - [ 0.0011733100000000, -0.0000924700000000, 0.0002894700000000 ] - [ -0.0001477300000000, 0.0000555500000000, -0.0006975800000000 ] - [ -0.0013782000000000, -0.0017293200000000, -0.0011925800000000 ] - [ 0.0011108200000000, -0.0001933600000000, 0.0007378600000000 ] - [ -0.0001099600000000, -0.0001745300000000, -0.0001573000000000 ] - [ -0.0009257900000000, 0.0000873600000000, -0.0006170900000000 ] - [ -0.0008458700000000, -0.0002710000000000, -0.0005747600000000 ] - [ -0.0020184500000000, 0.0010112000000000, 0.0005475800000000 ] - [ 0.0004436300000000, 0.0000748700000000, 0.0001350900000000 ] - [ -0.0009759000000000, 0.0000827900000000, 0.0001409300000000 ] - [ -0.0005173400000000, 0.0001274100000000, -0.0000279400000000 ] - [ 0.0004537100000000, -0.0005684500000000, -0.0009181500000000 ] - [ 0.0002546100000000, -0.0002982200000000, -0.0000172000000000 ] - [ -0.0002715000000000, -0.0000066800000000, -0.0004762200000000 ] - [ -0.0003205800000000, 0.0007774600000000, -0.0013700800000000 ] - [ 0.0027297200000000, 0.0002896400000000, 0.0008259800000000 ] - [ 0.0030072100000000, -0.0005149000000000, 0.0008797200000000 ] - [ -0.0001947200000000, 0.0000615200000000, 0.0003736400000000 ] - [ -0.0006379500000000, 0.0001186700000000, 0.0009677600000000 ] - [ -0.0002575900000000, -0.0006507500000000, 0.0003440300000000 ] - [ -0.0002656900000000, 0.0003053200000000, 0.0002516700000000 ] - [ -0.0000036900000000, -0.0000007800000000, 0.0002826000000000 ] - [ 0.0005785400000000, 0.0006699100000000, 0.0010497900000000 ] - [ -0.0005999200000000, -0.0001362700000000, 0.0002617100000000 ] - [ -0.0002698400000000, 0.0000804200000000, 0.0000886900000000 ] - [ -0.0000692500000000, 0.0000597600000000, 0.0001636100000000 ] - [ -0.0016417100000000, 0.0013273200000000, 0.0016396700000000 ] - [ -0.0009837300000000, -0.0006024100000000, 0.0003782800000000 ] - [ -0.0005271100000000, 0.0001630400000000, 0.0004412900000000 ] - [ 0.0015356000000000, -0.0003750500000000, 0.0005582400000000 ] - [ 0.0003046800000000, 0.0001106100000000, -0.0000267400000000 ] - [ -0.0015333100000000, 0.0000746600000000, 0.0016222800000000 ] - [ -0.0003188500000000, -0.0000269600000000, 0.0005071800000000 ] - [ -0.0002868300000000, -0.0000502300000000, -0.0000269100000000 ] - [ -0.0017003800000000, 0.0002534900000000, -0.0000393900000000 ] - [ 0.0000309000000000, 0.0000386800000000, -0.0001043200000000 ] - [ -0.0000915600000000, -0.0000774800000000, 0.0000478300000000 ] - [ -0.0019482300000000, 0.0003555700000000, 0.0002911500000000 ] - [ -0.0004284400000000, 0.0000757200000000, 0.0001679700000000 ] - [ 0.0001774800000000, -0.0002224600000000, -0.0003307500000000 ] - [ 0.0001541700000000, 0.0000235100000000, -0.0001825300000000 ] - [ -0.0011809000000000, -0.0017099700000000, 0.0005063400000000 ] - [ 0.0001779900000000, 0.0000890800000000, -0.0002253400000000 ] - [ -0.0000361300000000, -0.0002073500000000, -0.0003015900000000 ] - [ -0.0001148100000000, -0.0000111300000000, -0.0002828200000000 ] - [ 0.0043661500000000, -0.0001794600000000, -0.0020215100000000 ] - [ 0.0004488100000000, -0.0000799900000000, 0.0002031600000000 ] - [ -0.0008184600000000, 0.0009304900000000, -0.0003599100000000 ] - [ -0.0002614200000000, -0.0003691100000000, 0.0001565300000000 ] - [ 0.0001324100000000, 0.0016232700000000, -0.0010667600000000 ] - [ 0.0001221800000000, -0.0010577600000000, -0.0011791000000000 ] - [ -0.0000125700000000, -0.0001600900000000, 0.0006384000000000 ] - [ 0.0000188800000000, -0.0000405100000000, 0.0005271300000000 ] - [ -0.0004877400000000, -0.0006638700000000, 0.0017187800000000 ] - [ -0.0002258000000000, -0.0000356500000000, 0.0003066200000000 ] - [ -0.0010836100000000, -0.0002920400000000, -0.0002840300000000 ] - [ -0.0005392800000000, -0.0000892200000000, -0.0001337700000000 ] - [ 0.0006286400000000, 0.0003961400000000, -0.0015772900000000 ] - [ 0.0001193400000000, 0.0000306000000000, -0.0005914900000000 ] - [ 0.0000288900000000, 0.0010065100000000, -0.0015397300000000 ] - [ 0.0002411900000000, 0.0000717600000000, -0.0003585700000000 ]- atom: 1 displacement: [ -0.0099999989202427, 0.0000000000000000, -0.0000046470576681 ] forces: - [ 0.0191172800000000, 0.0019885200000000, 0.0009034600000000 ] - [ 0.0003675200000000, 0.0000146600000000, 0.0001395700000000 ] - [ 0.0000375900000000, 0.0000118900000000, 0.0007821900000000 ] - [ 0.0001531700000000, 0.0000187100000000, 0.0002849500000000 ] - [ -0.0005808800000000, -0.0000213500000000, -0.0003262600000000 ] - [ -0.0001916600000000, 0.0000270100000000, -0.0001483500000000 ] - [ -0.0008104500000000, -0.0004576100000000, -0.0009270600000000 ] - [ -0.0002758400000000, 0.0002286700000000, -0.0003042400000000 ] - [ -0.0006104900000000, -0.0000453400000000, 0.0000096800000000 ] - [ -0.0006100900000000, 0.0000820900000000, 0.0000332100000000 ] - [ 0.0001047000000000, 0.0000960100000000, -0.0004429900000000 ] - [ 0.0000252300000000, -0.0002373500000000, -0.0010192700000000 ] - [ 0.0007476300000000, -0.0013393400000000, 0.0007839700000000 ] - [ 0.0007478300000000, 0.0012835800000000, 0.0007257000000000 ] - [ -0.0002170100000000, 0.0001834400000000, 0.0004592600000000 ] - [ -0.0008769400000000, -0.0003795000000000, 0.0011906600000000 ] - [ -0.0004312400000000, 0.0007794500000000, -0.0003168500000000 ] - [ -0.0091997300000000, -0.0033231500000000, -0.0037443100000000 ] - [ -0.0005038700000000, -0.0003236100000000, 0.0006065900000000 ] - [ -0.0020506900000000, 0.0004816200000000, 0.0013620300000000 ] - [ 0.0031542100000000, -0.0017344200000000, 0.0011353700000000 ] - [ 0.0048972700000000, 0.0019348000000000, 0.0008257500000000 ] - [ 0.0025702900000000, 0.0005323000000000, -0.0032693600000000 ] - [ 0.0002131900000000, 0.0002857700000000, -0.0003359700000000 ] - [ -0.0007894200000000, -0.0002474200000000, -0.0012381100000000 ] - [ -0.0002049200000000, 0.0001900800000000, -0.0014800200000000 ] - [ 0.0000882200000000, -0.0008204500000000, -0.0006200200000000 ] - [ -0.0040717300000000, 0.0038064400000000, -0.0023731600000000 ] - [ -0.0017577000000000, -0.0016534500000000, 0.0001841400000000 ] - [ -0.0008291500000000, 0.0012429000000000, 0.0006473500000000 ] - [ -0.0015898300000000, 0.0038563400000000, -0.0043497600000000 ] - [ -0.0004573300000000, -0.0004840900000000, -0.0010673400000000 ] - [ -0.0006208900000000, -0.0003298800000000, -0.0001890200000000 ] - [ -0.0001941000000000, 0.0000310500000000, -0.0000732100000000 ] - [ -0.0000302800000000, 0.0002071000000000, 0.0002062600000000 ] - [ -0.0001795100000000, 0.0005643400000000, 0.0006174100000000 ] - [ 0.0020771200000000, -0.0002896000000000, 0.0042801400000000 ] - [ 0.0001150400000000, 0.0000213300000000, 0.0002818200000000 ] - [ -0.0045718800000000, 0.0017518300000000, 0.0015734100000000 ] - [ -0.0005067000000000, -0.0006161300000000, 0.0006372000000000 ] - [ -0.0004036300000000, 0.0000389200000000, 0.0001807000000000 ] - [ -0.0005449700000000, -0.0005131200000000, 0.0008308300000000 ] - [ -0.0014513200000000, 0.0009736900000000, -0.0005415000000000 ] - [ -0.0016776600000000, -0.0010627900000000, -0.0000695600000000 ] - [ 0.0002521000000000, -0.0000567600000000, -0.0004521100000000 ] - [ -0.0006531400000000, 0.0004048700000000, -0.0025060600000000 ] - [ 0.0030304200000000, 0.0050533400000000, -0.0004223000000000 ] - [ 0.0032948100000000, -0.0049808000000000, -0.0005973600000000 ] - [ 0.0011957600000000, -0.0002687000000000, -0.0003185200000000 ] - [ 0.0002962500000000, 0.0000425000000000, -0.0002854200000000 ] - [ -0.0041360300000000, -0.0002608600000000, 0.0051183200000000 ] - [ 0.0000874200000000, 0.0002577100000000, 0.0001972700000000 ] - [ -0.0011852700000000, -0.0007460400000000, 0.0012617500000000 ] - [ -0.0003472900000000, 0.0000133000000000, 0.0003741500000000 ] - [ -0.0011089300000000, -0.0003682700000000, 0.0001205800000000 ] - [ -0.0002075100000000, 0.0002392900000000, -0.0000027300000000 ] - [ -0.0002248000000000, 0.0001677300000000, 0.0008636500000000 ] - [ -0.0001755100000000, -0.0000377400000000, 0.0003230000000000 ] - [ -0.0003140700000000, 0.0004045100000000, -0.0000101100000000 ] - [ -0.0018345900000000, -0.0008991500000000, 0.0006610500000000 ] - [ 0.0010393900000000, -0.0008797600000000, 0.0004347600000000 ] - [ 0.0001719100000000, 0.0005354000000000, 0.0002915700000000 ] - [ -0.0002101500000000, -0.0017559900000000, 0.0003813100000000 ] - [ -0.0010329800000000, 0.0019869300000000, 0.0011756100000000 ] - [ 0.0001883900000000, 0.0000665500000000, 0.0000626200000000 ] - [ -0.0000853300000000, 0.0002211700000000, -0.0001340500000000 ] - [ -0.0000132700000000, 0.0002038400000000, 0.0003627300000000 ] - [ 0.0004421800000000, -0.0003808300000000, 0.0012936900000000 ] - [ -0.0004702000000000, -0.0014474700000000, 0.0003710200000000 ] - [ -0.0000644800000000, 0.0014933400000000, -0.0003035500000000 ] - [ -0.0024568800000000, -0.0008952700000000, -0.0017483100000000 ] - [ -0.0002506300000000, -0.0006125900000000, -0.0000850800000000 ] - [ 0.0002129900000000, 0.0010257400000000, 0.0003087000000000 ] - [ 0.0005930000000000, -0.0015941700000000, -0.0003004400000000 ] - [ -0.0004469900000000, 0.0002138100000000, -0.0001473000000000 ] - [ -0.0007972300000000, 0.0001307900000000, -0.0003408500000000 ] - [ 0.0003330100000000, -0.0007144600000000, -0.0001847600000000 ] - [ 0.0015683300000000, 0.0010790500000000, 0.0003143100000000 ] - [ -0.0015560600000000, -0.0003072300000000, -0.0011055800000000 ] - [ -0.0003254800000000, -0.0003152200000000, -0.0002278600000000 ] - [ 0.0010080200000000, -0.0003075000000000, 0.0005467500000000 ] - [ 0.0009299500000000, 0.0000511600000000, 0.0005078400000000 ] - [ 0.0027568900000000, -0.0007277800000000, -0.0003395600000000 ] - [ 0.0001939900000000, 0.0002119600000000, 0.0000810900000000 ] - [ 0.0003430300000000, 0.0002118100000000, -0.0003481600000000 ] - [ -0.0001123500000000, 0.0001699700000000, -0.0001780600000000 ] - [ -0.0000085800000000, 0.0000732100000000, 0.0013053000000000 ] - [ 0.0001829000000000, -0.0001921200000000, 0.0004050100000000 ] - [ -0.0001063900000000, 0.0000481500000000, 0.0005365100000000 ] - [ -0.0000552100000000, -0.0007399000000000, 0.0014313400000000 ] - [ -0.0028252100000000, -0.0004952800000000, -0.0007597400000000 ] - [ -0.0031008500000000, 0.0002849600000000, -0.0008095300000000 ] - [ 0.0000173100000000, 0.0001184200000000, -0.0002589800000000 ] - [ 0.0004545800000000, 0.0000586100000000, -0.0008463300000000 ] - [ 0.0006253000000000, 0.0005957900000000, -0.0004098000000000 ] - [ 0.0006320200000000, -0.0003582600000000, -0.0003167600000000 ] - [ -0.0003310100000000, -0.0000827200000000, -0.0000740000000000 ] - [ -0.0009146300000000, -0.0007571200000000, -0.0008403700000000 ] - [ 0.0005666200000000, 0.0003430000000000, -0.0002417900000000 ] - [ 0.0002362700000000, 0.0001264900000000, -0.0000666400000000 ] - [ -0.0000613100000000, 0.0002760800000000, -0.0001648600000000 ] - [ 0.0015096800000000, -0.0009893500000000, -0.0016302200000000 ] - [ 0.0007937500000000, -0.0000561700000000, 0.0005027600000000 ] - [ 0.0003356800000000, -0.0008142200000000, 0.0004364400000000 ] - [ -0.0015072200000000, 0.0005867200000000, -0.0005854600000000 ] - [ -0.0002715900000000, 0.0000947400000000, 0.0000034300000000 ] - [ 0.0017191000000000, 0.0001028700000000, -0.0017531600000000 ] - [ 0.0004966300000000, 0.0002067100000000, -0.0006264600000000 ] - [ 0.0004029100000000, 0.0003826600000000, 0.0000319400000000 ] - [ 0.0018157700000000, 0.0000820100000000, 0.0000438900000000 ] - [ 0.0003042100000000, -0.0001233800000000, -0.0001059100000000 ] - [ 0.0004265700000000, -0.0000036000000000, -0.0002631800000000 ] - [ 0.0015901100000000, -0.0004000400000000, -0.0002151100000000 ] - [ 0.0000572600000000, -0.0001214300000000, -0.0000961700000000 ] - [ 0.0002004400000000, 0.0002610100000000, 0.0002723600000000 ] - [ 0.0002244000000000, 0.0000159000000000, 0.0001260700000000 ] - [ 0.0013648200000000, 0.0010490100000000, -0.0013776000000000 ] - [ 0.0000128900000000, -0.0007411900000000, -0.0006510400000000 ] - [ -0.0003993300000000, -0.0002815100000000, -0.0000866000000000 ] - [ -0.0003249600000000, -0.0004820800000000, -0.0001039500000000 ] - [ -0.0041803100000000, -0.0000387500000000, 0.0017968400000000 ] - [ -0.0003669000000000, -0.0001392700000000, -0.0002732200000000 ] - [ 0.0014557400000000, -0.0006463000000000, 0.0005757000000000 ] - [ 0.0008932500000000, 0.0006639100000000, 0.0000522400000000 ] - [ -0.0007736200000000, -0.0013322000000000, 0.0008580000000000 ] - [ -0.0007642400000000, 0.0013470700000000, 0.0009614300000000 ] - [ 0.0004483100000000, -0.0003303200000000, -0.0002536100000000 ] - [ 0.0004197800000000, -0.0004509200000000, -0.0001395700000000 ] - [ 0.0001147700000000, 0.0007046100000000, -0.0016709600000000 ] - [ -0.0001546800000000, 0.0000757600000000, -0.0002490500000000 ] - [ 0.0010006600000000, 0.0000718300000000, 0.0003510400000000 ] - [ 0.0004571800000000, -0.0001304600000000, 0.0002029600000000 ] - [ -0.0008099500000000, -0.0002182500000000, 0.0016952800000000 ] - [ -0.0002992700000000, 0.0001486800000000, 0.0007178600000000 ] - [ 0.0002637400000000, -0.0010620400000000, 0.0014196200000000 ] - [ 0.0001275900000000, -0.0001134800000000, 0.0002851500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0020716000000000, -0.0202218000000000, -0.0032770300000000 ] - [ -0.0001448600000000, 0.0014757600000000, 0.0000524600000000 ] - [ -0.0000058800000000, -0.0003190700000000, 0.0002845600000000 ] - [ 0.0002426900000000, 0.0003104700000000, -0.0002008700000000 ] - [ 0.0001088100000000, -0.0003520100000000, -0.0000415500000000 ] - [ 0.0001571200000000, 0.0003092000000000, -0.0000345700000000 ] - [ 0.0003092300000000, -0.0003310500000000, 0.0001360900000000 ] - [ -0.0003215600000000, 0.0003209400000000, 0.0000284200000000 ] - [ -0.0002130800000000, 0.0000025400000000, 0.0000913300000000 ] - [ -0.0000850800000000, 0.0000038400000000, -0.0000026900000000 ] - [ 0.0001736100000000, 0.0002867500000000, -0.0001676500000000 ] - [ 0.0001345900000000, -0.0002927700000000, 0.0001281300000000 ] - [ 0.0014189100000000, 0.0015786700000000, -0.0018946400000000 ] - [ -0.0012030000000000, 0.0015738800000000, 0.0017524600000000 ] - [ -0.0003880000000000, 0.0003566800000000, 0.0001707600000000 ] - [ 0.0003059200000000, -0.0003688300000000, -0.0002533300000000 ] - [ -0.0007109400000000, 0.0024557800000000, -0.0006314000000000 ] - [ 0.0037673400000000, -0.0039995500000000, 0.0022063700000000 ] - [ -0.0002349600000000, 0.0004371000000000, 0.0003778100000000 ] - [ -0.0003790800000000, -0.0002275300000000, -0.0002128300000000 ] - [ 0.0016813500000000, 0.0062243200000000, 0.0066585100000000 ] - [ -0.0010279800000000, 0.0074375100000000, -0.0077506100000000 ] - [ 0.0000853800000000, -0.0050674100000000, 0.0032817600000000 ] - [ 0.0001287100000000, 0.0024302700000000, -0.0008448200000000 ] - [ -0.0001976800000000, 0.0003439500000000, 0.0003819800000000 ] - [ -0.0000063100000000, 0.0001945400000000, -0.0008138800000000 ] - [ 0.0007768000000000, 0.0010270300000000, -0.0002401300000000 ] - [ -0.0016665700000000, -0.0005725800000000, 0.0003094200000000 ] - [ 0.0006596900000000, -0.0007248200000000, -0.0002017000000000 ] - [ -0.0005104600000000, 0.0008209300000000, 0.0002556200000000 ] - [ -0.0023518600000000, -0.0023566400000000, -0.0023325100000000 ] - [ 0.0005113000000000, 0.0021699100000000, 0.0010711600000000 ] - [ 0.0001932800000000, -0.0006339900000000, 0.0000569800000000 ] - [ 0.0002214500000000, 0.0005475600000000, 0.0002747900000000 ] - [ -0.0000487100000000, 0.0004721900000000, -0.0003256700000000 ] - [ 0.0000479300000000, 0.0000751400000000, 0.0004591100000000 ] - [ -0.0000470500000000, -0.0018063900000000, -0.0000862400000000 ] - [ -0.0002950800000000, 0.0010803500000000, -0.0001911200000000 ] - [ -0.0034264700000000, -0.0016911000000000, 0.0003363000000000 ] - [ 0.0016781700000000, 0.0014540300000000, -0.0003503000000000 ] - [ -0.0001607800000000, 0.0017827300000000, 0.0008302200000000 ] - [ -0.0000056700000000, -0.0020469900000000, -0.0010124400000000 ] - [ -0.0005910000000000, 0.0003012700000000, -0.0003546100000000 ] - [ -0.0000911700000000, 0.0001603300000000, 0.0002117300000000 ] - [ 0.0010046900000000, 0.0009138700000000, 0.0009605600000000 ] - [ -0.0022204900000000, -0.0015296200000000, -0.0028944200000000 ] - [ -0.0044908700000000, 0.0045442900000000, -0.0014049300000000 ] - [ 0.0052002700000000, 0.0042846700000000, 0.0013533900000000 ] - [ -0.0001853100000000, -0.0002345400000000, -0.0004524100000000 ] - [ -0.0003161500000000, 0.0002225500000000, 0.0004060500000000 ] - [ -0.0003307100000000, -0.0014817600000000, 0.0007181300000000 ] - [ -0.0004169400000000, 0.0008747000000000, -0.0001458700000000 ] - [ -0.0004496700000000, -0.0004046000000000, 0.0002069400000000 ] - [ 0.0004328400000000, 0.0003135400000000, -0.0001726900000000 ] - [ 0.0002752100000000, -0.0004731600000000, -0.0001686900000000 ] - [ 0.0004073200000000, 0.0006125000000000, 0.0000360100000000 ] - [ -0.0000866600000000, 0.0003674700000000, -0.0007574500000000 ] - [ -0.0002150400000000, -0.0005739900000000, 0.0003133100000000 ] - [ -0.0012903700000000, -0.0012129700000000, -0.0011262800000000 ] - [ 0.0012995000000000, 0.0014590600000000, 0.0020272200000000 ] - [ 0.0002833900000000, 0.0006088000000000, 0.0002768400000000 ] - [ -0.0004020600000000, -0.0001998800000000, -0.0001260900000000 ] - [ 0.0014503000000000, -0.0024803900000000, 0.0006349700000000 ] - [ -0.0017301400000000, 0.0013311200000000, -0.0001020300000000 ] - [ -0.0000448400000000, -0.0003044300000000, -0.0003031800000000 ] - [ 0.0000703600000000, 0.0005144800000000, 0.0003358100000000 ] - [ -0.0003154900000000, -0.0002382800000000, -0.0001097800000000 ] - [ 0.0010859300000000, 0.0005435700000000, 0.0001430800000000 ] - [ 0.0017438500000000, 0.0018092900000000, 0.0001359000000000 ] - [ -0.0016514600000000, -0.0015565400000000, 0.0003446600000000 ] - [ 0.0010985400000000, 0.0044318900000000, 0.0012212000000000 ] - [ 0.0007681700000000, -0.0022598800000000, 0.0012585100000000 ] - [ -0.0008920100000000, -0.0002589400000000, 0.0001307400000000 ] - [ 0.0005477400000000, -0.0002254700000000, -0.0001730100000000 ] - [ 0.0006131000000000, -0.0014016900000000, -0.0017773900000000 ] - [ -0.0002106100000000, 0.0004796200000000, 0.0019145400000000 ] - [ 0.0003094200000000, -0.0008796500000000, -0.0002516500000000 ] - [ -0.0003956500000000, 0.0001070800000000, -0.0009055600000000 ] - [ 0.0002147400000000, 0.0022599900000000, -0.0002029800000000 ] - [ -0.0004739500000000, -0.0015010200000000, -0.0000347200000000 ] - [ 0.0001909500000000, -0.0001789600000000, -0.0000378300000000 ] - [ -0.0001710800000000, -0.0001407900000000, 0.0000421500000000 ] - [ 0.0008430000000000, 0.0017492900000000, -0.0004585600000000 ] - [ 0.0002901800000000, -0.0003636800000000, 0.0003422400000000 ] - [ -0.0002444500000000, 0.0004453000000000, 0.0000683400000000 ] - [ -0.0003626100000000, -0.0001356400000000, -0.0002915100000000 ] - [ 0.0000492100000000, 0.0018066200000000, 0.0007824000000000 ] - [ 0.0003468300000000, -0.0013710200000000, -0.0000942900000000 ] - [ -0.0004042900000000, -0.0003416300000000, -0.0002981600000000 ] - [ 0.0001517600000000, -0.0001214300000000, 0.0009615500000000 ] - [ 0.0012261000000000, -0.0029590500000000, -0.0008072200000000 ] - [ -0.0014785500000000, -0.0021639300000000, 0.0008779900000000 ] - [ 0.0001519100000000, -0.0002979700000000, -0.0002995700000000 ] - [ -0.0002910400000000, 0.0005055400000000, 0.0003914900000000 ] - [ 0.0001294200000000, -0.0000158400000000, -0.0000400900000000 ] - [ 0.0002550400000000, -0.0000333700000000, -0.0000500800000000 ] - [ -0.0002199900000000, -0.0006253700000000, 0.0002930800000000 ] - [ 0.0000244500000000, 0.0005309900000000, -0.0003809100000000 ] - [ 0.0002553400000000, 0.0003681200000000, 0.0000836100000000 ] - [ -0.0001980500000000, -0.0001325500000000, -0.0000434400000000 ] - [ -0.0000721100000000, -0.0002744500000000, -0.0000517600000000 ] - [ -0.0000349500000000, 0.0006443600000000, 0.0000085000000000 ] - [ -0.0002239000000000, 0.0001623200000000, 0.0005010800000000 ] - [ 0.0001092100000000, -0.0008067600000000, 0.0003825900000000 ] - [ -0.0001428600000000, 0.0006227400000000, 0.0005963500000000 ] - [ 0.0001502800000000, -0.0003193100000000, -0.0002311100000000 ] - [ 0.0010582300000000, 0.0005016600000000, -0.0007354200000000 ] - [ -0.0003369300000000, -0.0002225100000000, 0.0002136100000000 ] - [ -0.0001856800000000, -0.0002204900000000, 0.0000856800000000 ] - [ 0.0003957400000000, 0.0005396800000000, -0.0001429100000000 ] - [ 0.0002363900000000, -0.0003647500000000, -0.0000054800000000 ] - [ 0.0000950700000000, 0.0003080300000000, -0.0002725900000000 ] - [ -0.0002538300000000, 0.0020235500000000, 0.0004527600000000 ] - [ -0.0001290300000000, -0.0012708800000000, -0.0002152100000000 ] - [ 0.0002085900000000, 0.0004374200000000, 0.0002497700000000 ] - [ 0.0002298600000000, -0.0003214300000000, -0.0002322500000000 ] - [ 0.0000544400000000, 0.0004820400000000, -0.0005652300000000 ] - [ 0.0001270000000000, -0.0009315600000000, -0.0003812800000000 ] - [ -0.0002293800000000, -0.0003060100000000, -0.0000572200000000 ] - [ -0.0001707200000000, -0.0002861100000000, -0.0002812500000000 ] - [ 0.0000601600000000, 0.0014635400000000, -0.0003490700000000 ] - [ 0.0001188100000000, -0.0007105900000000, 0.0000250600000000 ] - [ 0.0011681200000000, -0.0000225600000000, 0.0004135700000000 ] - [ -0.0001772300000000, -0.0000851500000000, 0.0000607200000000 ] - [ 0.0013351800000000, -0.0003481900000000, 0.0018270600000000 ] - [ -0.0014335700000000, -0.0012786700000000, -0.0018935500000000 ] - [ 0.0003481200000000, -0.0002655000000000, 0.0002557500000000 ] - [ 0.0001431000000000, -0.0003593800000000, 0.0000577000000000 ] - [ -0.0001245000000000, 0.0005056100000000, -0.0002324600000000 ] - [ -0.0002128100000000, -0.0003518100000000, 0.0001486700000000 ] - [ 0.0000562800000000, 0.0001151100000000, 0.0001094100000000 ] - [ -0.0000839900000000, -0.0003195200000000, -0.0000045400000000 ] - [ -0.0001123600000000, 0.0005090700000000, 0.0004027000000000 ] - [ -0.0000064400000000, -0.0002601400000000, -0.0003185500000000 ] - [ 0.0003910200000000, 0.0028855800000000, -0.0006285000000000 ] - [ -0.0000038400000000, -0.0014824100000000, 0.0003220800000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0018801600000000, 0.0202678300000000, 0.0030562900000000 ] - [ -0.0001107000000000, -0.0014781100000000, 0.0000333600000000 ] - [ 0.0002977300000000, 0.0002890700000000, -0.0003535200000000 ] - [ 0.0000493500000000, -0.0003382400000000, 0.0001325600000000 ] - [ 0.0001473200000000, 0.0003496900000000, -0.0000448800000000 ] - [ 0.0000983000000000, -0.0003121500000000, -0.0000519700000000 ] - [ -0.0006017000000000, 0.0003009200000000, -0.0000672500000000 ] - [ 0.0000300000000000, -0.0003475400000000, 0.0000410400000000 ] - [ -0.0000430200000000, -0.0000062600000000, -0.0000046900000000 ] - [ -0.0001715800000000, -0.0000052300000000, 0.0000894900000000 ] - [ 0.0001193000000000, -0.0003154600000000, 0.0000968900000000 ] - [ 0.0001587200000000, 0.0002676800000000, -0.0001974000000000 ] - [ -0.0011528600000000, -0.0015771900000000, 0.0017923800000000 ] - [ 0.0014705400000000, -0.0015819000000000, -0.0018550500000000 ] - [ 0.0000940200000000, -0.0003854800000000, -0.0001004100000000 ] - [ -0.0005994200000000, 0.0003437400000000, 0.0003232800000000 ] - [ 0.0007063200000000, -0.0023608900000000, 0.0006287600000000 ] - [ -0.0037481900000000, 0.0041225800000000, -0.0022121000000000 ] - [ -0.0002880100000000, -0.0002517800000000, -0.0002214900000000 ] - [ -0.0001511100000000, 0.0004158000000000, 0.0003665200000000 ] - [ -0.0012176100000000, -0.0061776700000000, -0.0062245300000000 ] - [ 0.0014950000000000, -0.0075043600000000, 0.0081995800000000 ] - [ -0.0000940300000000, 0.0053371200000000, -0.0033026700000000 ] - [ -0.0001285100000000, -0.0021494300000000, 0.0008516400000000 ] - [ -0.0002458100000000, -0.0003428900000000, -0.0007432900000000 ] - [ -0.0004372200000000, -0.0001855300000000, 0.0004510800000000 ] - [ -0.0002497700000000, -0.0008425600000000, 0.0000851400000000 ] - [ 0.0021809300000000, 0.0007813300000000, -0.0004731800000000 ] - [ -0.0006615100000000, 0.0008034200000000, 0.0001990400000000 ] - [ 0.0005129100000000, -0.0007222700000000, -0.0002555600000000 ] - [ 0.0018267800000000, 0.0025084800000000, 0.0024833500000000 ] - [ -0.0010409200000000, -0.0019869000000000, -0.0009241200000000 ] - [ 0.0002531700000000, 0.0006403600000000, 0.0003076900000000 ] - [ 0.0002253100000000, -0.0005403600000000, 0.0000910800000000 ] - [ 0.0000480200000000, -0.0001937600000000, 0.0003248500000000 ] - [ -0.0000484100000000, 0.0002164300000000, -0.0004551800000000 ] - [ -0.0003902000000000, 0.0018125000000000, -0.0002406100000000 ] - [ -0.0001506000000000, -0.0010702800000000, -0.0001818000000000 ] - [ 0.0039492500000000, 0.0018700700000000, -0.0004886100000000 ] - [ -0.0011590100000000, -0.0012655900000000, 0.0002001800000000 ] - [ -0.0001087700000000, -0.0018561500000000, -0.0006950600000000 ] - [ -0.0002629200000000, 0.0019904800000000, 0.0011459600000000 ] - [ -0.0001857200000000, -0.0001356700000000, 0.0005031000000000 ] - [ -0.0006836600000000, 0.0000142700000000, -0.0000644700000000 ] - [ -0.0007304200000000, -0.0009933100000000, -0.0010847500000000 ] - [ 0.0024976500000000, 0.0014533000000000, 0.0027652000000000 ] - [ 0.0052083200000000, -0.0043413100000000, 0.0012462000000000 ] - [ -0.0044757200000000, -0.0041436500000000, -0.0015078700000000 ] - [ -0.0000800200000000, 0.0001559500000000, 0.0005875600000000 ] - [ 0.0000477900000000, -0.0002953000000000, -0.0002779500000000 ] - [ -0.0004773400000000, 0.0016526400000000, -0.0005587500000000 ] - [ -0.0003560900000000, -0.0007036900000000, 0.0002926400000000 ] - [ 0.0007186200000000, 0.0003215600000000, -0.0003337300000000 ] - [ -0.0001646100000000, -0.0003884900000000, 0.0000454300000000 ] - [ 0.0004963500000000, 0.0006408700000000, 0.0000223200000000 ] - [ 0.0003667300000000, -0.0004406100000000, -0.0001847100000000 ] - [ -0.0002491500000000, -0.0004535700000000, 0.0009633900000000 ] - [ -0.0001213900000000, 0.0004881600000000, -0.0001070700000000 ] - [ 0.0012583800000000, 0.0014232900000000, 0.0011428900000000 ] - [ -0.0013039600000000, -0.0012975600000000, -0.0019671000000000 ] - [ -0.0004114700000000, -0.0002651800000000, -0.0002794500000000 ] - [ 0.0002765700000000, 0.0005354800000000, 0.0001216200000000 ] - [ -0.0016290000000000, 0.0018233200000000, 0.0002472900000000 ] - [ 0.0014965000000000, -0.0020516300000000, 0.0009803700000000 ] - [ 0.0000706400000000, 0.0005157100000000, 0.0002763600000000 ] - [ -0.0000389400000000, -0.0003111000000000, -0.0003598700000000 ] - [ 0.0004954400000000, 0.0004187400000000, -0.0000051000000000 ] - [ -0.0009094700000000, -0.0003667800000000, -0.0002463800000000 ] - [ -0.0016716400000000, -0.0014146800000000, -0.0001258500000000 ] - [ 0.0017847700000000, 0.0018937700000000, -0.0003415400000000 ] - [ -0.0007081200000000, -0.0044317400000000, -0.0013008800000000 ] - [ -0.0004365800000000, 0.0021814400000000, -0.0014739000000000 ] - [ 0.0005197900000000, 0.0002148700000000, -0.0000575200000000 ] - [ -0.0009156500000000, 0.0001642100000000, 0.0002393700000000 ] - [ -0.0002411600000000, 0.0014423400000000, 0.0017203100000000 ] - [ 0.0005872200000000, -0.0004465700000000, -0.0019804800000000 ] - [ -0.0001197500000000, 0.0002270000000000, -0.0006288600000000 ] - [ 0.0005801200000000, -0.0007706300000000, 0.0000244800000000 ] - [ -0.0006483500000000, -0.0027535200000000, -0.0001724700000000 ] - [ 0.0000360000000000, 0.0010120200000000, -0.0003546700000000 ] - [ -0.0001093400000000, -0.0000401500000000, -0.0000246600000000 ] - [ 0.0002529900000000, -0.0000818200000000, -0.0001089600000000 ] - [ -0.0001962000000000, -0.0014612100000000, 0.0006668300000000 ] - [ 0.0003407200000000, 0.0006558400000000, -0.0001318100000000 ] - [ -0.0003935700000000, -0.0001611400000000, -0.0002823200000000 ] - [ -0.0002725900000000, 0.0004248500000000, 0.0000777100000000 ] - [ 0.0003849300000000, -0.0022968100000000, -0.0003972400000000 ] - [ 0.0000902800000000, 0.0008824700000000, 0.0004801300000000 ] - [ 0.0000310100000000, 0.0003858200000000, 0.0003477500000000 ] - [ -0.0005273300000000, 0.0001570300000000, -0.0009044900000000 ] - [ -0.0013050000000000, 0.0028014200000000, 0.0008754900000000 ] - [ 0.0013915100000000, 0.0018211200000000, -0.0008019100000000 ] - [ -0.0003314400000000, 0.0004786400000000, 0.0004161400000000 ] - [ 0.0001093200000000, -0.0003284700000000, -0.0002670300000000 ] - [ 0.0002374400000000, -0.0000252400000000, -0.0000322800000000 ] - [ 0.0001090800000000, -0.0000103400000000, -0.0000215900000000 ] - [ -0.0001190800000000, 0.0005341400000000, -0.0000832900000000 ] - [ -0.0003649300000000, -0.0006319600000000, 0.0005799600000000 ] - [ -0.0002894400000000, -0.0001623800000000, -0.0000631400000000 ] - [ 0.0001596100000000, 0.0003317700000000, 0.0000667700000000 ] - [ -0.0000525000000000, 0.0006116100000000, 0.0000471000000000 ] - [ -0.0000684800000000, -0.0003191500000000, -0.0000195100000000 ] - [ 0.0000399700000000, -0.0008174400000000, 0.0003811900000000 ] - [ -0.0002971200000000, 0.0001507000000000, 0.0004980000000000 ] - [ 0.0001624800000000, -0.0004055900000000, -0.0006285000000000 ] - [ -0.0001272200000000, 0.0005346700000000, 0.0002085500000000 ] - [ -0.0008744700000000, -0.0003193100000000, 0.0006170100000000 ] - [ 0.0005223400000000, 0.0004015500000000, -0.0003333800000000 ] - [ 0.0003112300000000, 0.0005570900000000, -0.0000816100000000 ] - [ -0.0002586500000000, -0.0002035200000000, 0.0001459300000000 ] - [ 0.0000948200000000, 0.0002926300000000, -0.0002042400000000 ] - [ 0.0002379100000000, -0.0003942800000000, 0.0000667700000000 ] - [ -0.0001139600000000, -0.0020696400000000, -0.0003803900000000 ] - [ -0.0002346500000000, 0.0012239900000000, 0.0002852000000000 ] - [ 0.0001684000000000, -0.0003983100000000, -0.0003081300000000 ] - [ 0.0001524900000000, 0.0003577800000000, 0.0001718800000000 ] - [ 0.0001388800000000, -0.0011296600000000, -0.0003173000000000 ] - [ 0.0000582900000000, 0.0002747800000000, -0.0004999100000000 ] - [ -0.0002087700000000, -0.0001785700000000, -0.0003315900000000 ] - [ -0.0002650700000000, -0.0002058200000000, -0.0001034400000000 ] - [ 0.0000183000000000, -0.0016873300000000, 0.0002956300000000 ] - [ -0.0000357200000000, 0.0004900700000000, -0.0000798900000000 ] - [ -0.0005351900000000, 0.0003159700000000, -0.0002052300000000 ] - [ 0.0008130700000000, 0.0003728500000000, 0.0001512200000000 ] - [ -0.0019543300000000, 0.0006426500000000, -0.0020224100000000 ] - [ 0.0008114200000000, 0.0015772400000000, 0.0016950800000000 ] - [ 0.0000889700000000, -0.0002196400000000, 0.0001303500000000 ] - [ 0.0002921300000000, -0.0001321800000000, 0.0003269900000000 ] - [ -0.0002465600000000, -0.0004609900000000, 0.0002733600000000 ] - [ -0.0001566900000000, 0.0003911400000000, -0.0001005600000000 ] - [ -0.0001353300000000, -0.0003351700000000, -0.0000394400000000 ] - [ 0.0000050500000000, 0.0000995300000000, 0.0000818400000000 ] - [ -0.0000714100000000, -0.0003250000000000, -0.0002877900000000 ] - [ -0.0001760700000000, 0.0004396000000000, 0.0004344100000000 ] - [ -0.0000365500000000, -0.0029310500000000, 0.0005580800000000 ] - [ 0.0003711600000000, 0.0014317400000000, -0.0003892700000000 ]- atom: 1 displacement: [ -0.0066066504307377, 0.0000000000000000, 0.0075068082489187 ] forces: - [ 0.0117937900000000, -0.0010931100000000, -0.0180052200000000 ] - [ 0.0001267900000000, 0.0000184500000000, -0.0001980500000000 ] - [ -0.0006247500000000, 0.0002025300000000, 0.0009874500000000 ] - [ -0.0001311800000000, -0.0001013700000000, 0.0002833500000000 ] - [ -0.0001274100000000, -0.0000140500000000, 0.0001739300000000 ] - [ -0.0000043500000000, 0.0000126400000000, 0.0000629400000000 ] - [ 0.0001962200000000, -0.0001861900000000, -0.0005321300000000 ] - [ 0.0000603800000000, 0.0000594500000000, -0.0001962600000000 ] - [ -0.0004388400000000, -0.0000630400000000, 0.0002072300000000 ] - [ -0.0004211400000000, 0.0000913900000000, 0.0002227100000000 ] - [ 0.0003622400000000, -0.0000604800000000, -0.0001918400000000 ] - [ 0.0006404300000000, 0.0000605400000000, -0.0002164300000000 ] - [ -0.0000377700000000, -0.0022297400000000, 0.0005255500000000 ] - [ -0.0000812100000000, 0.0022253500000000, 0.0004876000000000 ] - [ -0.0004318300000000, 0.0001311100000000, 0.0002964000000000 ] - [ -0.0013556200000000, -0.0003514800000000, 0.0008530400000000 ] - [ -0.0001113600000000, 0.0004331000000000, -0.0005179100000000 ] - [ -0.0029644400000000, -0.0000985600000000, -0.0046222400000000 ] - [ -0.0007680900000000, -0.0002576500000000, 0.0008799500000000 ] - [ -0.0026749400000000, 0.0005608400000000, 0.0021403100000000 ] - [ 0.0012472000000000, 0.0040254200000000, 0.0000464000000000 ] - [ 0.0025346700000000, -0.0039253400000000, 0.0001231400000000 ] - [ 0.0045375400000000, 0.0017223100000000, 0.0052450400000000 ] - [ 0.0002069300000000, -0.0000406700000000, 0.0000997000000000 ] - [ 0.0000429400000000, 0.0008545700000000, 0.0001113700000000 ] - [ 0.0002990900000000, -0.0005096200000000, -0.0000150700000000 ] - [ 0.0004291000000000, -0.0005788400000000, -0.0008637400000000 ] - [ -0.0018336300000000, 0.0029429400000000, -0.0031320300000000 ] - [ -0.0016547100000000, -0.0016994200000000, -0.0003490800000000 ] - [ -0.0007065600000000, 0.0007949700000000, 0.0003322400000000 ] - [ 0.0014192900000000, 0.0000561400000000, -0.0016014000000000 ] - [ 0.0000816500000000, 0.0000648800000000, -0.0005612200000000 ] - [ -0.0002835200000000, -0.0002660400000000, 0.0006902400000000 ] - [ 0.0000543800000000, -0.0000623900000000, 0.0003058200000000 ] - [ -0.0002368000000000, -0.0004349100000000, 0.0005661600000000 ] - [ -0.0002956200000000, 0.0014814300000000, 0.0016008500000000 ] - [ 0.0002300400000000, -0.0001140700000000, 0.0078605400000000 ] - [ -0.0002813100000000, -0.0000758400000000, 0.0000661300000000 ] - [ -0.0037622800000000, 0.0009539100000000, 0.0006742000000000 ] - [ -0.0003733200000000, -0.0003810300000000, 0.0003719400000000 ] - [ -0.0005886700000000, 0.0005362700000000, 0.0007988900000000 ] - [ -0.0015531600000000, -0.0027712900000000, 0.0027524800000000 ] - [ -0.0003423600000000, 0.0001931500000000, -0.0004870100000000 ] - [ -0.0005568200000000, -0.0003776700000000, -0.0000003000000000 ] - [ 0.0008608400000000, 0.0001962100000000, -0.0002740300000000 ] - [ 0.0019225100000000, -0.0004897600000000, -0.0006030800000000 ] - [ 0.0018073700000000, 0.0029499500000000, -0.0025011200000000 ] - [ 0.0018031400000000, -0.0026461600000000, -0.0015440600000000 ] - [ 0.0017126600000000, -0.0004286100000000, 0.0011096900000000 ] - [ 0.0003656900000000, 0.0002843800000000, -0.0001994400000000 ] - [ -0.0075156200000000, 0.0002446900000000, 0.0019309900000000 ] - [ -0.0003318200000000, 0.0002321300000000, -0.0000969500000000 ] - [ -0.0012374100000000, -0.0011437600000000, 0.0015892800000000 ] - [ -0.0004146900000000, 0.0002410200000000, 0.0005083700000000 ] - [ -0.0004505000000000, -0.0000861300000000, 0.0003279900000000 ] - [ 0.0001334900000000, 0.0002033500000000, 0.0001177000000000 ] - [ -0.0005579600000000, -0.0009857300000000, -0.0007302500000000 ] - [ -0.0002487300000000, 0.0001820000000000, 0.0000303400000000 ] - [ -0.0005681000000000, -0.0004728200000000, 0.0000787200000000 ] - [ -0.0014608700000000, 0.0002996100000000, 0.0009429100000000 ] - [ -0.0003541700000000, 0.0001956300000000, 0.0004469200000000 ] - [ -0.0002317500000000, 0.0003456800000000, 0.0001423400000000 ] - [ -0.0000328000000000, -0.0013098700000000, 0.0008104500000000 ] - [ -0.0007553200000000, 0.0006739100000000, 0.0022476100000000 ] - [ 0.0001516000000000, -0.0001522300000000, -0.0002371200000000 ] - [ -0.0004320700000000, 0.0009217100000000, -0.0011001600000000 ] - [ -0.0004018500000000, 0.0001223700000000, 0.0004416000000000 ] - [ -0.0009193000000000, -0.0002712100000000, 0.0013069300000000 ] - [ -0.0000291400000000, -0.0009513800000000, 0.0015724600000000 ] - [ 0.0001202200000000, 0.0009465900000000, 0.0000539800000000 ] - [ -0.0001976500000000, 0.0002744400000000, 0.0021758100000000 ] - [ -0.0000827900000000, 0.0003053200000000, -0.0000521100000000 ] - [ 0.0000251200000000, 0.0009014200000000, 0.0005980800000000 ] - [ 0.0003069900000000, -0.0010638000000000, 0.0001856400000000 ] - [ 0.0002672500000000, -0.0008531400000000, -0.0005236400000000 ] - [ -0.0001026400000000, 0.0011864400000000, -0.0004236900000000 ] - [ -0.0000014700000000, -0.0004715800000000, -0.0002486900000000 ] - [ 0.0004071900000000, -0.0001366100000000, 0.0001904300000000 ] - [ -0.0008272700000000, 0.0009688600000000, -0.0037943200000000 ] - [ -0.0001704000000000, -0.0003523500000000, -0.0003055800000000 ] - [ 0.0000643200000000, -0.0002500600000000, -0.0001557500000000 ] - [ 0.0000559000000000, 0.0000368200000000, -0.0001970800000000 ] - [ 0.0023196300000000, -0.0007524000000000, 0.0017576000000000 ] - [ 0.0002036500000000, 0.0001681800000000, 0.0003566300000000 ] - [ 0.0004010300000000, 0.0001265700000000, -0.0006461300000000 ] - [ -0.0001169300000000, 0.0001592500000000, -0.0003384200000000 ] - [ -0.0009593100000000, 0.0003517800000000, 0.0002814900000000 ] - [ -0.0000155600000000, -0.0002181900000000, 0.0002245400000000 ] - [ -0.0005176000000000, -0.0003188500000000, 0.0001393300000000 ] - [ -0.0005497500000000, 0.0001424300000000, 0.0002086500000000 ] - [ -0.0011381800000000, -0.0008444500000000, 0.0013722500000000 ] - [ -0.0013610000000000, 0.0004218500000000, 0.0012457900000000 ] - [ 0.0003791800000000, 0.0000129800000000, -0.0005594700000000 ] - [ 0.0015180300000000, 0.0003686800000000, -0.0017196600000000 ] - [ 0.0007050000000000, 0.0006534600000000, -0.0004826300000000 ] - [ 0.0007231700000000, -0.0002716200000000, -0.0004483600000000 ] - [ -0.0002075500000000, 0.0002000700000000, -0.0000652200000000 ] - [ -0.0007524500000000, -0.0015610100000000, -0.0019650000000000 ] - [ 0.0004467900000000, 0.0003884300000000, -0.0004443700000000 ] - [ 0.0001813300000000, 0.0000644900000000, -0.0001578700000000 ] - [ 0.0001930300000000, 0.0002684500000000, -0.0001141900000000 ] - [ 0.0025155800000000, -0.0012941200000000, -0.0011690800000000 ] - [ 0.0005650000000000, -0.0001290700000000, 0.0005641000000000 ] - [ 0.0001480900000000, -0.0006215200000000, 0.0004198700000000 ] - [ -0.0015898500000000, 0.0009796900000000, -0.0021873800000000 ] - [ -0.0002033100000000, -0.0000382100000000, -0.0000498700000000 ] - [ 0.0018500900000000, 0.0001802100000000, -0.0014011800000000 ] - [ 0.0006248300000000, 0.0001652600000000, -0.0005094600000000 ] - [ 0.0001949800000000, 0.0003232700000000, 0.0000178300000000 ] - [ 0.0011727900000000, -0.0000343700000000, 0.0001079800000000 ] - [ 0.0002595300000000, 0.0001097600000000, -0.0003108900000000 ] - [ 0.0003680700000000, -0.0000383200000000, -0.0006768500000000 ] - [ 0.0007412000000000, -0.0000628700000000, 0.0004838100000000 ] - [ -0.0000267400000000, -0.0000880800000000, -0.0000296200000000 ] - [ -0.0000067200000000, -0.0000013000000000, -0.0004687500000000 ] - [ 0.0001377400000000, -0.0000829500000000, -0.0000593000000000 ] - [ 0.0021962500000000, 0.0012713700000000, -0.0007866000000000 ] - [ 0.0002291000000000, -0.0005979700000000, -0.0005121200000000 ] - [ -0.0004333900000000, 0.0002266400000000, -0.0006044000000000 ] - [ -0.0004874200000000, -0.0007723100000000, -0.0002758000000000 ] - [ -0.0036948100000000, -0.0002223200000000, 0.0050153900000000 ] - [ -0.0000189000000000, -0.0001445400000000, -0.0000086700000000 ] - [ 0.0011132900000000, -0.0003080800000000, 0.0004390900000000 ] - [ 0.0006294200000000, 0.0004333700000000, 0.0000185700000000 ] - [ -0.0013539300000000, 0.0002241700000000, 0.0013735500000000 ] - [ -0.0009184900000000, 0.0004158700000000, 0.0009804600000000 ] - [ 0.0006051900000000, -0.0000819200000000, -0.0003576100000000 ] - [ 0.0006442000000000, -0.0008045000000000, -0.0003248100000000 ] - [ 0.0006321300000000, 0.0009337400000000, -0.0022955100000000 ] - [ -0.0000097000000000, 0.0000353600000000, -0.0002141200000000 ] - [ 0.0005091300000000, -0.0000178600000000, -0.0001106700000000 ] - [ 0.0001691200000000, -0.0001209600000000, -0.0000478500000000 ] - [ -0.0010598900000000, 0.0001871000000000, 0.0005682000000000 ] - [ -0.0004516700000000, 0.0000539200000000, 0.0004705000000000 ] - [ -0.0008522300000000, -0.0006173000000000, 0.0019060700000000 ] - [ 0.0000478400000000, -0.0001971800000000, 0.0002933600000000 ]- atom: 1 displacement: [ 0.0066066504307377, 0.0000000000000000, -0.0075068082489187 ] forces: - [ -0.0124506200000000, 0.0010469400000000, 0.0185771200000000 ] - [ -0.0003838600000000, -0.0000207400000000, 0.0002860600000000 ] - [ 0.0009182100000000, -0.0002267300000000, -0.0010541200000000 ] - [ 0.0004247400000000, 0.0000725300000000, -0.0003538800000000 ] - [ 0.0003852500000000, 0.0000117200000000, -0.0002616200000000 ] - [ 0.0002611300000000, -0.0000153300000000, -0.0001498800000000 ] - [ -0.0004930700000000, 0.0001587600000000, 0.0006035400000000 ] - [ -0.0003552100000000, -0.0000870600000000, 0.0002666100000000 ] - [ 0.0001839900000000, 0.0000611800000000, -0.0001212700000000 ] - [ 0.0001666300000000, -0.0000947700000000, -0.0001366800000000 ] - [ -0.0000702900000000, 0.0000325000000000, 0.0001235600000000 ] - [ -0.0003498900000000, -0.0000878100000000, 0.0001494800000000 ] - [ 0.0002907100000000, 0.0022423900000000, -0.0006106500000000 ] - [ 0.0003339600000000, -0.0022433300000000, -0.0005722000000000 ] - [ 0.0001400700000000, -0.0001578200000000, -0.0002284300000000 ] - [ 0.0010570500000000, 0.0003186000000000, -0.0007835400000000 ] - [ 0.0001137200000000, -0.0003418800000000, 0.0005203300000000 ] - [ 0.0029904700000000, 0.0001868800000000, 0.0046030000000000 ] - [ 0.0002440800000000, 0.0004508100000000, -0.0007316500000000 ] - [ 0.0021587700000000, -0.0003793900000000, -0.0019867000000000 ] - [ -0.0007893100000000, -0.0040400000000000, 0.0003012800000000 ] - [ -0.0020672500000000, 0.0039462800000000, 0.0002036700000000 ] - [ -0.0044917300000000, -0.0014126200000000, -0.0052487100000000 ] - [ -0.0002047200000000, 0.0003277600000000, -0.0001066200000000 ] - [ -0.0004849500000000, -0.0008504100000000, -0.0004809200000000 ] - [ -0.0007367600000000, 0.0005126900000000, -0.0003510900000000 ] - [ 0.0000939200000000, 0.0007694900000000, 0.0007165400000000 ] - [ 0.0023585600000000, -0.0027711800000000, 0.0029970300000000 ] - [ 0.0016630600000000, 0.0018015600000000, 0.0003559100000000 ] - [ 0.0007075900000000, -0.0007076500000000, -0.0003313600000000 ] - [ -0.0019357300000000, 0.0001161700000000, 0.0017764700000000 ] - [ -0.0006039300000000, 0.0001246200000000, 0.0007165500000000 ] - [ 0.0007276200000000, 0.0002719200000000, -0.0003281900000000 ] - [ 0.0003906700000000, 0.0000675600000000, 0.0000555800000000 ] - [ 0.0002358000000000, 0.0007263800000000, -0.0005676800000000 ] - [ 0.0002951700000000, -0.0012050200000000, -0.0016115200000000 ] - [ -0.0006625700000000, 0.0001164800000000, -0.0082869700000000 ] - [ -0.0001631800000000, 0.0000810200000000, -0.0004291900000000 ] - [ 0.0042817100000000, -0.0007547400000000, -0.0008447900000000 ] - [ 0.0008991500000000, 0.0005687500000000, -0.0005286900000000 ] - [ 0.0003203800000000, -0.0006136000000000, -0.0006720000000000 ] - [ 0.0012849200000000, 0.0026810300000000, -0.0026136100000000 ] - [ -0.0004296500000000, -0.0000242800000000, 0.0006330200000000 ] - [ -0.0002147300000000, 0.0005520300000000, 0.0001505300000000 ] - [ -0.0005956200000000, -0.0002738700000000, 0.0001431200000000 ] - [ -0.0016730800000000, 0.0004099100000000, 0.0004600200000000 ] - [ -0.0010123500000000, -0.0027875800000000, 0.0023493900000000 ] - [ -0.0010136900000000, 0.0028324600000000, 0.0014016700000000 ] - [ -0.0019992700000000, 0.0003543300000000, -0.0009861600000000 ] - [ -0.0006380100000000, -0.0003621000000000, 0.0003312600000000 ] - [ 0.0068165000000000, -0.0000759100000000, -0.0018069000000000 ] - [ -0.0004443000000000, -0.0000617400000000, 0.0002478900000000 ] - [ 0.0015056700000000, 0.0010717700000000, -0.0017236200000000 ] - [ 0.0006883300000000, -0.0003190500000000, -0.0006421800000000 ] - [ 0.0012283500000000, 0.0002578100000000, -0.0004752400000000 ] - [ 0.0006423500000000, -0.0000334500000000, -0.0002659000000000 ] - [ 0.0002183000000000, 0.0008971900000000, 0.0009430800000000 ] - [ -0.0000864300000000, -0.0002633400000000, 0.0001789800000000 ] - [ 0.0005420400000000, 0.0006858900000000, -0.0000542300000000 ] - [ 0.0014441200000000, -0.0000953500000000, -0.0009045900000000 ] - [ 0.0002197500000000, 0.0001445200000000, -0.0004498300000000 ] - [ 0.0001182600000000, -0.0000109100000000, -0.0001488700000000 ] - [ -0.0001572200000000, 0.0006583600000000, 0.0000727000000000 ] - [ 0.0005080300000000, -0.0013752300000000, -0.0013660300000000 ] - [ -0.0001197600000000, 0.0003587600000000, 0.0002162600000000 ] - [ 0.0004608900000000, -0.0007131800000000, 0.0010744900000000 ] - [ 0.0005854600000000, 0.0000575700000000, -0.0005597600000000 ] - [ 0.0011065800000000, 0.0004535700000000, -0.0014286500000000 ] - [ 0.0000827900000000, 0.0013294300000000, -0.0015558500000000 ] - [ 0.0000071400000000, -0.0006156900000000, -0.0000500700000000 ] - [ 0.0005562700000000, -0.0003350700000000, -0.0023505300000000 ] - [ 0.0004206200000000, -0.0004017000000000, -0.0001497500000000 ] - [ -0.0003917000000000, -0.0009545500000000, -0.0005319300000000 ] - [ -0.0006750600000000, 0.0010223400000000, -0.0001168200000000 ] - [ 0.0001027500000000, 0.0008949300000000, 0.0004766900000000 ] - [ 0.0004682600000000, -0.0011345300000000, 0.0003783900000000 ] - [ 0.0001852900000000, -0.0001840000000000, -0.0006349700000000 ] - [ -0.0002273100000000, -0.0005246800000000, -0.0010732400000000 ] - [ 0.0003735300000000, -0.0014594000000000, 0.0034193400000000 ] - [ -0.0002659100000000, -0.0001369900000000, -0.0000786200000000 ] - [ 0.0000147700000000, 0.0000300200000000, 0.0000902500000000 ] - [ 0.0000202400000000, -0.0002572900000000, 0.0001269800000000 ] - [ -0.0016387800000000, 0.0010430900000000, -0.0015737200000000 ] - [ 0.0004315400000000, 0.0001225400000000, -0.0001475800000000 ] - [ -0.0010386400000000, 0.0001618500000000, 0.0004306800000000 ] - [ -0.0005172800000000, 0.0001311600000000, 0.0001288700000000 ] - [ 0.0013938400000000, -0.0008409900000000, 0.0001113700000000 ] - [ 0.0004517300000000, -0.0002697000000000, 0.0001639700000000 ] - [ 0.0001414000000000, 0.0003591400000000, -0.0000817400000000 ] - [ 0.0001722600000000, -0.0001067800000000, -0.0001424400000000 ] - [ 0.0010508500000000, 0.0006363100000000, -0.0013056800000000 ] - [ 0.0012714200000000, -0.0006561400000000, -0.0011814600000000 ] - [ -0.0005632000000000, 0.0001667500000000, 0.0006802300000000 ] - [ -0.0016999200000000, -0.0001857400000000, 0.0018390600000000 ] - [ -0.0003396500000000, -0.0007052600000000, 0.0004130700000000 ] - [ -0.0003573000000000, 0.0002298000000000, 0.0003759600000000 ] - [ -0.0001298100000000, -0.0002898300000000, 0.0002750600000000 ] - [ 0.0004239600000000, 0.0014951500000000, 0.0021895300000000 ] - [ -0.0004725700000000, -0.0001746700000000, 0.0004672400000000 ] - [ -0.0002186200000000, 0.0001387100000000, 0.0001802100000000 ] - [ -0.0003173200000000, 0.0000656000000000, 0.0001104500000000 ] - [ -0.0026504900000000, 0.0016340600000000, 0.0011673300000000 ] - [ -0.0007544700000000, -0.0005270900000000, 0.0003145000000000 ] - [ -0.0003342800000000, -0.0000338900000000, 0.0004604800000000 ] - [ 0.0016408000000000, -0.0007849200000000, 0.0021821500000000 ] - [ 0.0002316500000000, 0.0002494900000000, 0.0000244800000000 ] - [ -0.0016680500000000, -0.0000033600000000, 0.0012879500000000 ] - [ -0.0004488500000000, 0.0000149800000000, 0.0004098500000000 ] - [ -0.0000691800000000, 0.0000136600000000, -0.0000149500000000 ] - [ -0.0010519700000000, 0.0003723200000000, -0.0001061700000000 ] - [ 0.0000744500000000, -0.0001908400000000, 0.0001019000000000 ] - [ -0.0000291000000000, -0.0000559000000000, 0.0004730100000000 ] - [ -0.0011104600000000, 0.0000218000000000, -0.0004036600000000 ] - [ -0.0003438100000000, 0.0000332000000000, 0.0000990000000000 ] - [ 0.0003790700000000, 0.0000395100000000, 0.0004231300000000 ] - [ 0.0002432300000000, 0.0001209500000000, -0.0000002800000000 ] - [ -0.0020226400000000, -0.0019337600000000, -0.0000945600000000 ] - [ -0.0000419700000000, -0.0000557300000000, -0.0003705800000000 ] - [ -0.0000013300000000, -0.0007192200000000, 0.0002200100000000 ] - [ 0.0000545100000000, 0.0002861600000000, -0.0001097300000000 ] - [ 0.0040997500000000, 0.0000117600000000, -0.0055297400000000 ] - [ 0.0001024000000000, -0.0000757200000000, -0.0000522100000000 ] - [ -0.0004819800000000, 0.0005974600000000, -0.0002238100000000 ] - [ -0.0000037000000000, -0.0001356300000000, 0.0001858600000000 ] - [ 0.0007184900000000, 0.0000742500000000, -0.0015879600000000 ] - [ 0.0002750200000000, -0.0001359200000000, -0.0012002700000000 ] - [ -0.0001668900000000, -0.0004104900000000, 0.0007455500000000 ] - [ -0.0002099600000000, 0.0003193700000000, 0.0007129500000000 ] - [ -0.0010143900000000, -0.0008973000000000, 0.0023590200000000 ] - [ -0.0003633000000000, 0.0000058700000000, 0.0002648200000000 ] - [ -0.0005938700000000, -0.0002029200000000, 0.0001658300000000 ] - [ -0.0002479400000000, -0.0000989200000000, 0.0001197100000000 ] - [ 0.0008859700000000, -0.0000075400000000, -0.0004622300000000 ] - [ 0.0002707700000000, 0.0001268800000000, -0.0003459700000000 ] - [ 0.0012147400000000, 0.0005716400000000, -0.0019807700000000 ] - [ 0.0003173700000000, 0.0001599000000000, -0.0003688100000000 ]- atom: 3 displacement: [ 0.0099999989202427, 0.0000000000000000, 0.0000046470576681 ] forces: - [ -0.0000189000000000, -0.0001536800000000, -0.0008890100000000 ] - [ -0.0001353600000000, 0.0000952200000000, -0.0003351800000000 ] - [ -0.0178023200000000, 0.0001820600000000, 0.0017981100000000 ] - [ -0.0002807200000000, -0.0000003100000000, 0.0000208700000000 ] - [ 0.0007950800000000, -0.0004588600000000, 0.0010057600000000 ] - [ 0.0002575900000000, 0.0001749300000000, 0.0003500500000000 ] - [ 0.0005597100000000, -0.0000499800000000, -0.0002324300000000 ] - [ 0.0001393500000000, 0.0000062000000000, -0.0000468900000000 ] - [ -0.0000089200000000, -0.0000131200000000, 0.0008062700000000 ] - [ -0.0000883700000000, 0.0000255600000000, 0.0003643500000000 ] - [ 0.0006070400000000, -0.0000525200000000, -0.0000580300000000 ] - [ 0.0006064800000000, 0.0000396900000000, -0.0000294000000000 ] - [ 0.0008573100000000, -0.0004525700000000, -0.0010022000000000 ] - [ 0.0002008600000000, 0.0002389300000000, -0.0003575000000000 ] - [ -0.0007948100000000, -0.0013055000000000, 0.0008213700000000 ] - [ -0.0007951300000000, 0.0012998500000000, 0.0008164300000000 ] - [ -0.0000225100000000, 0.0002265900000000, 0.0002336400000000 ] - [ -0.0003218000000000, 0.0006678100000000, 0.0004637500000000 ] - [ -0.0026505300000000, 0.0000616800000000, 0.0006624000000000 ] - [ -0.0041765800000000, 0.0001074000000000, 0.0005412500000000 ] - [ 0.0019090900000000, 0.0018241600000000, -0.0037807600000000 ] - [ 0.0002104200000000, -0.0005421800000000, -0.0008764400000000 ] - [ 0.0083790200000000, -0.0041769200000000, -0.0043063900000000 ] - [ 0.0003819000000000, 0.0009027600000000, -0.0002972600000000 ] - [ 0.0041122900000000, 0.0044876800000000, 0.0015768600000000 ] - [ 0.0006843200000000, -0.0006835400000000, 0.0003874400000000 ] - [ 0.0005762600000000, -0.0002164400000000, -0.0010064000000000 ] - [ 0.0001296800000000, 0.0006179000000000, -0.0013218000000000 ] - [ -0.0032505300000000, -0.0023633700000000, -0.0029692900000000 ] - [ -0.0003412100000000, 0.0000853000000000, -0.0000165200000000 ] - [ 0.0006756000000000, -0.0001914300000000, -0.0004137000000000 ] - [ 0.0000940800000000, 0.0001317100000000, -0.0001569700000000 ] - [ 0.0018858100000000, 0.0008470700000000, 0.0015408200000000 ] - [ 0.0007278200000000, -0.0006646700000000, 0.0006768100000000 ] - [ 0.0026567300000000, -0.0020792500000000, 0.0003786000000000 ] - [ 0.0003868700000000, 0.0013661500000000, 0.0004862800000000 ] - [ 0.0036706200000000, 0.0016351600000000, -0.0028231800000000 ] - [ -0.0003788200000000, -0.0007855200000000, -0.0006245400000000 ] - [ -0.0010806100000000, -0.0001135300000000, 0.0045575900000000 ] - [ -0.0000400700000000, 0.0000972700000000, 0.0003496700000000 ] - [ -0.0016354100000000, 0.0041293500000000, 0.0007588300000000 ] - [ -0.0017309500000000, -0.0045719800000000, 0.0015234400000000 ] - [ 0.0010787200000000, -0.0000999200000000, 0.0015471800000000 ] - [ 0.0001785000000000, 0.0001142000000000, 0.0004310400000000 ] - [ 0.0010194700000000, 0.0008524000000000, -0.0007035800000000 ] - [ 0.0010205900000000, -0.0012199100000000, -0.0010011900000000 ] - [ -0.0007404000000000, -0.0004199700000000, -0.0006162200000000 ] - [ -0.0000237000000000, 0.0001557700000000, -0.0003141200000000 ] - [ 0.0012631800000000, 0.0000930400000000, 0.0002117900000000 ] - [ 0.0002981200000000, 0.0001154100000000, -0.0001452700000000 ] - [ 0.0004457600000000, 0.0023357500000000, -0.0020473600000000 ] - [ -0.0004518100000000, -0.0001749700000000, -0.0003591700000000 ] - [ 0.0050597000000000, -0.0004010400000000, 0.0044129400000000 ] - [ -0.0001704900000000, 0.0001139300000000, 0.0003613000000000 ] - [ 0.0006239700000000, 0.0005992100000000, 0.0013346200000000 ] - [ 0.0006578600000000, 0.0001702600000000, 0.0003191600000000 ] - [ -0.0029425200000000, -0.0010078300000000, -0.0000364000000000 ] - [ -0.0003030300000000, -0.0000625500000000, -0.0000522800000000 ] - [ -0.0008150000000000, -0.0005681100000000, 0.0004570100000000 ] - [ -0.0003380600000000, 0.0005831100000000, 0.0005789000000000 ] - [ -0.0007242600000000, 0.0003399200000000, -0.0003173400000000 ] - [ -0.0003005700000000, 0.0001771600000000, -0.0000789000000000 ] - [ 0.0002633400000000, -0.0003546000000000, 0.0004989300000000 ] - [ 0.0002273800000000, -0.0005510800000000, 0.0004626100000000 ] - [ -0.0001897900000000, -0.0016538100000000, -0.0003095700000000 ] - [ -0.0002600800000000, 0.0013158900000000, -0.0007092100000000 ] - [ -0.0007287300000000, -0.0000261400000000, 0.0006231000000000 ] - [ -0.0006208900000000, 0.0001747900000000, 0.0006870000000000 ] - [ 0.0013441800000000, 0.0005756800000000, -0.0003034800000000 ] - [ 0.0002809900000000, 0.0001751500000000, 0.0000408200000000 ] - [ -0.0007061500000000, -0.0005344300000000, 0.0015964200000000 ] - [ 0.0001183600000000, -0.0001674900000000, 0.0002081700000000 ] - [ -0.0000796000000000, 0.0008469700000000, 0.0007967300000000 ] - [ -0.0001303300000000, -0.0001744200000000, 0.0003189300000000 ] - [ 0.0022240900000000, 0.0005181700000000, -0.0008943700000000 ] - [ 0.0005107600000000, 0.0012372300000000, 0.0003593500000000 ] - [ -0.0002840700000000, -0.0004543100000000, -0.0007603000000000 ] - [ -0.0001846600000000, -0.0005667000000000, -0.0006816900000000 ] - [ 0.0017483600000000, 0.0006452300000000, -0.0011500800000000 ] - [ -0.0000776400000000, -0.0013794200000000, -0.0000365400000000 ] - [ -0.0014734000000000, -0.0005660800000000, -0.0017315800000000 ] - [ -0.0004975400000000, 0.0000139700000000, -0.0005566400000000 ] - [ 0.0002164200000000, -0.0005804400000000, 0.0017387900000000 ] - [ 0.0002361300000000, 0.0001578900000000, 0.0006268900000000 ] - [ 0.0007623300000000, 0.0006345600000000, -0.0015012800000000 ] - [ -0.0000641700000000, 0.0000540300000000, -0.0005127600000000 ] - [ -0.0011891300000000, 0.0013079800000000, 0.0008786100000000 ] - [ -0.0000993700000000, -0.0006349100000000, 0.0002921500000000 ] - [ -0.0012990600000000, -0.0011962900000000, 0.0007184800000000 ] - [ -0.0005465500000000, 0.0004065900000000, 0.0000177100000000 ] - [ 0.0005590300000000, -0.0000540700000000, 0.0014820300000000 ] - [ 0.0002629900000000, -0.0000741100000000, 0.0005670200000000 ] - [ 0.0021807900000000, -0.0003519500000000, -0.0006137400000000 ] - [ 0.0024351600000000, 0.0004735800000000, -0.0007023900000000 ] - [ 0.0021548500000000, 0.0007312500000000, -0.0000455400000000 ] - [ 0.0006048600000000, 0.0001131400000000, -0.0002815800000000 ] - [ -0.0004738100000000, 0.0009049000000000, 0.0005036000000000 ] - [ -0.0008716100000000, -0.0012084500000000, 0.0001451300000000 ] - [ -0.0017164200000000, -0.0003183700000000, -0.0016956500000000 ] - [ -0.0000278700000000, 0.0001540900000000, -0.0001989200000000 ] - [ 0.0005088900000000, 0.0006048100000000, 0.0003303000000000 ] - [ 0.0009983300000000, -0.0011700100000000, 0.0006537100000000 ] - [ 0.0005063900000000, -0.0004603800000000, 0.0006158900000000 ] - [ -0.0001238300000000, -0.0003526600000000, 0.0003577200000000 ] - [ -0.0014690500000000, 0.0003761600000000, 0.0001621000000000 ] - [ -0.0001905900000000, 0.0001953000000000, 0.0000507800000000 ] - [ 0.0037368600000000, 0.0001359600000000, 0.0015064300000000 ] - [ 0.0004313500000000, 0.0000573100000000, -0.0003247300000000 ] - [ -0.0000552700000000, 0.0001952700000000, -0.0000445100000000 ] - [ 0.0001895700000000, 0.0001896400000000, -0.0003219500000000 ] - [ -0.0003723500000000, 0.0010346200000000, -0.0007786400000000 ] - [ -0.0002266400000000, -0.0005469000000000, -0.0005073600000000 ] - [ 0.0000766700000000, -0.0007771400000000, -0.0011930300000000 ] - [ -0.0001128200000000, -0.0000761500000000, -0.0002287500000000 ] - [ -0.0004304300000000, -0.0001644900000000, -0.0001941600000000 ] - [ -0.0000577800000000, 0.0001182700000000, -0.0000341500000000 ] - [ 0.0021877300000000, -0.0001402500000000, -0.0000302800000000 ] - [ 0.0003100300000000, -0.0001576300000000, -0.0003487500000000 ] - [ -0.0012419000000000, -0.0002016400000000, -0.0002687200000000 ] - [ -0.0005491900000000, -0.0006074900000000, -0.0001914700000000 ] - [ -0.0003774500000000, -0.0006598500000000, 0.0009652000000000 ] - [ 0.0002532000000000, 0.0000042900000000, 0.0003398300000000 ] - [ 0.0001153200000000, 0.0006644800000000, -0.0018044900000000 ] - [ 0.0002950400000000, 0.0001329400000000, -0.0002678700000000 ] - [ -0.0004134400000000, 0.0003367700000000, 0.0003155000000000 ] - [ -0.0003919100000000, 0.0001033400000000, 0.0001033300000000 ] - [ -0.0025266700000000, 0.0014690700000000, -0.0005486000000000 ] - [ 0.0003161300000000, -0.0006915800000000, 0.0000187400000000 ] - [ -0.0034385500000000, -0.0012600500000000, -0.0001470600000000 ] - [ -0.0000849300000000, 0.0002412600000000, 0.0000020300000000 ] - [ -0.0005371400000000, -0.0003069800000000, -0.0009230100000000 ] - [ -0.0003236600000000, -0.0000444700000000, -0.0004413100000000 ] - [ -0.0010735900000000, 0.0001639500000000, 0.0003853200000000 ] - [ -0.0004681100000000, 0.0000786400000000, 0.0002630200000000 ] - [ 0.0000630300000000, -0.0000407200000000, 0.0000317200000000 ] - [ 0.0000811900000000, -0.0001086200000000, 0.0000612700000000 ]- atom: 3 displacement: [ -0.0099999989202427, 0.0000000000000000, -0.0000046470576681 ] forces: - [ -0.0002377900000000, 0.0001498100000000, 0.0009764700000000 ] - [ -0.0001202100000000, -0.0000978100000000, 0.0004226200000000 ] - [ 0.0179683800000000, -0.0001598700000000, -0.0015799500000000 ] - [ 0.0005746200000000, -0.0000282000000000, -0.0000894200000000 ] - [ -0.0005369300000000, 0.0004520300000000, -0.0010881400000000 ] - [ -0.0000027500000000, -0.0001767000000000, -0.0004363200000000 ] - [ -0.0008516400000000, 0.0000215800000000, 0.0002996700000000 ] - [ -0.0004327300000000, -0.0000343000000000, 0.0001154400000000 ] - [ -0.0002504000000000, 0.0000108200000000, -0.0007212700000000 ] - [ -0.0001689700000000, -0.0000286000000000, -0.0002791000000000 ] - [ -0.0003146300000000, 0.0000251500000000, -0.0000113100000000 ] - [ -0.0003146600000000, -0.0000684700000000, -0.0000403500000000 ] - [ -0.0006029200000000, 0.0004523900000000, 0.0009219900000000 ] - [ 0.0000562100000000, -0.0002429000000000, 0.0002726100000000 ] - [ 0.0005116500000000, 0.0012753400000000, -0.0007493900000000 ] - [ 0.0005115200000000, -0.0013273200000000, -0.0007459600000000 ] - [ 0.0000231700000000, -0.0001335700000000, -0.0002304500000000 ] - [ 0.0003223100000000, -0.0005758800000000, -0.0004619200000000 ] - [ 0.0021303700000000, 0.0001038700000000, -0.0005318700000000 ] - [ 0.0036550500000000, 0.0001172100000000, -0.0004180100000000 ] - [ -0.0014724600000000, -0.0017941600000000, 0.0041384100000000 ] - [ 0.0002331400000000, 0.0005486200000000, 0.0012437100000000 ] - [ -0.0082972700000000, 0.0043902600000000, 0.0042511900000000 ] - [ -0.0003864100000000, -0.0006182700000000, 0.0002945000000000 ] - [ -0.0045277900000000, -0.0044467800000000, -0.0019313800000000 ] - [ -0.0011322800000000, 0.0006861600000000, -0.0007531500000000 ] - [ -0.0000489200000000, 0.0004058500000000, 0.0008506100000000 ] - [ 0.0003968400000000, -0.0004269100000000, 0.0011647500000000 ] - [ 0.0032748700000000, 0.0024621700000000, 0.0029313000000000 ] - [ 0.0003435800000000, 0.0000079700000000, 0.0000145800000000 ] - [ -0.0011994600000000, 0.0003780700000000, 0.0005741300000000 ] - [ -0.0006170400000000, 0.0000615900000000, 0.0003063700000000 ] - [ -0.0014487700000000, -0.0008433300000000, -0.0011841700000000 ] - [ -0.0002840500000000, 0.0006784600000000, -0.0003187900000000 ] - [ -0.0026740100000000, 0.0023782700000000, -0.0003808500000000 ] - [ -0.0003872700000000, -0.0010878900000000, -0.0004888300000000 ] - [ -0.0041454000000000, -0.0016449400000000, 0.0024761000000000 ] - [ -0.0000625500000000, 0.0007986700000000, 0.0002654900000000 ] - [ 0.0016086600000000, 0.0002972000000000, -0.0047057300000000 ] - [ 0.0005622200000000, 0.0000914600000000, -0.0004993000000000 ] - [ 0.0013341400000000, -0.0041970100000000, -0.0006322400000000 ] - [ 0.0014416100000000, 0.0044909500000000, -0.0013915800000000 ] - [ -0.0018476700000000, 0.0002708300000000, -0.0013949700000000 ] - [ -0.0009539800000000, 0.0000559800000000, -0.0002813300000000 ] - [ -0.0007499000000000, -0.0009218400000000, 0.0005669100000000 ] - [ -0.0007500500000000, 0.0011380500000000, 0.0008658200000000 ] - [ 0.0015127400000000, 0.0005891000000000, 0.0004713400000000 ] - [ 0.0007995100000000, 0.0000141600000000, 0.0001680600000000 ] - [ -0.0015390500000000, -0.0001714600000000, -0.0000856800000000 ] - [ -0.0005682800000000, -0.0001924600000000, 0.0002751100000000 ] - [ -0.0012071800000000, -0.0021583000000000, 0.0022071200000000 ] - [ -0.0003170200000000, 0.0003412600000000, 0.0005053400000000 ] - [ -0.0048315200000000, 0.0003245800000000, -0.0046136900000000 ] - [ 0.0004431100000000, -0.0001910100000000, -0.0004931700000000 ] - [ 0.0001459200000000, -0.0004295100000000, -0.0014937200000000 ] - [ 0.0001136500000000, -0.0000000800000000, -0.0004745400000000 ] - [ 0.0026868500000000, 0.0009254000000000, 0.0002512100000000 ] - [ -0.0000303600000000, -0.0000187500000000, 0.0002619800000000 ] - [ 0.0007895000000000, 0.0007730700000000, -0.0004306700000000 ] - [ 0.0003084700000000, -0.0003755400000000, -0.0005541400000000 ] - [ 0.0005956000000000, -0.0000032000000000, 0.0003127700000000 ] - [ 0.0001885100000000, 0.0001575800000000, 0.0000730800000000 ] - [ -0.0004486800000000, -0.0003028600000000, 0.0003798200000000 ] - [ -0.0004139300000000, -0.0001066200000000, 0.0004162300000000 ] - [ 0.0002305100000000, 0.0018430200000000, 0.0002882300000000 ] - [ 0.0002985700000000, -0.0011064200000000, 0.0006861000000000 ] - [ 0.0009068900000000, 0.0002050800000000, -0.0007393700000000 ] - [ 0.0007957100000000, 0.0000051200000000, -0.0007906400000000 ] - [ -0.0012231900000000, -0.0002393700000000, 0.0003017100000000 ] - [ -0.0001469100000000, 0.0001639000000000, -0.0000410100000000 ] - [ 0.0010388900000000, 0.0004461200000000, -0.0017956000000000 ] - [ 0.0002172000000000, 0.0000830400000000, -0.0004164100000000 ] - [ -0.0002905800000000, -0.0008877400000000, -0.0007199500000000 ] - [ -0.0002386300000000, 0.0001205100000000, -0.0002494000000000 ] - [ -0.0017858900000000, -0.0004086500000000, 0.0007775700000000 ] - [ -0.0001303700000000, -0.0011999300000000, -0.0004176700000000 ] - [ 0.0004678600000000, -0.0002056000000000, -0.0001227900000000 ] - [ 0.0003718200000000, -0.0000898200000000, -0.0001998000000000 ] - [ -0.0020959400000000, -0.0012146600000000, 0.0007117000000000 ] - [ -0.0003533200000000, 0.0008917500000000, -0.0003484000000000 ] - [ 0.0015482600000000, 0.0003417200000000, 0.0016563400000000 ] - [ 0.0005812600000000, -0.0002348800000000, 0.0004889700000000 ] - [ 0.0004104400000000, 0.0008749600000000, -0.0015301900000000 ] - [ 0.0004007700000000, 0.0001293500000000, -0.0004143700000000 ] - [ -0.0013947200000000, -0.0003573300000000, 0.0013016200000000 ] - [ -0.0005643400000000, 0.0002480700000000, 0.0003134900000000 ] - [ 0.0016242400000000, -0.0017901100000000, -0.0004871800000000 ] - [ 0.0005371300000000, 0.0001407400000000, 0.0000949000000000 ] - [ 0.0009148600000000, 0.0012256900000000, -0.0006558900000000 ] - [ 0.0001689000000000, -0.0003658900000000, 0.0000382300000000 ] - [ -0.0006394100000000, -0.0001689700000000, -0.0014183200000000 ] - [ -0.0003459000000000, -0.0001460800000000, -0.0005016200000000 ] - [ -0.0023470400000000, 0.0005472200000000, 0.0007205000000000 ] - [ -0.0026063000000000, -0.0003038900000000, 0.0008284900000000 ] - [ -0.0017906500000000, -0.0007772900000000, -0.0000069000000000 ] - [ -0.0002403900000000, -0.0001556100000000, 0.0002119100000000 ] - [ 0.0001384500000000, -0.0009991700000000, -0.0002999600000000 ] - [ 0.0005388400000000, 0.0011276200000000, 0.0000596400000000 ] - [ 0.0016878300000000, 0.0005264200000000, 0.0017322600000000 ] - [ -0.0000060900000000, 0.0000494700000000, 0.0002238500000000 ] - [ -0.0006494600000000, -0.0002629800000000, -0.0003297400000000 ] - [ -0.0011218200000000, 0.0015078100000000, -0.0006591100000000 ] - [ -0.0006917700000000, -0.0002009200000000, 0.0002688100000000 ] - [ -0.0000615700000000, -0.0003061500000000, 0.0005245500000000 ] - [ 0.0015069200000000, -0.0001683300000000, -0.0001864300000000 ] - [ 0.0002172800000000, 0.0000136000000000, -0.0000789200000000 ] - [ -0.0036475000000000, 0.0000454600000000, -0.0017747300000000 ] - [ -0.0002553100000000, 0.0001220100000000, 0.0002198800000000 ] - [ 0.0001739300000000, 0.0001433400000000, 0.0000525900000000 ] - [ -0.0000562900000000, 0.0001474000000000, 0.0003268000000000 ] - [ 0.0007094400000000, -0.0011250300000000, 0.0005767100000000 ] - [ 0.0005627900000000, 0.0004635000000000, 0.0003048000000000 ] - [ -0.0004428100000000, 0.0007300100000000, 0.0012615700000000 ] - [ -0.0002568300000000, 0.0000200100000000, 0.0002971300000000 ] - [ 0.0008105200000000, 0.0002068000000000, 0.0001438200000000 ] - [ 0.0004382200000000, -0.0000790600000000, -0.0000208000000000 ] - [ -0.0020619700000000, -0.0005395900000000, -0.0007672300000000 ] - [ -0.0001250600000000, -0.0005003600000000, -0.0005323100000000 ] - [ 0.0008118200000000, -0.0002892500000000, -0.0001155900000000 ] - [ 0.0001159500000000, 0.0001187000000000, -0.0001920800000000 ] - [ 0.0004536300000000, 0.0004404600000000, -0.0010396400000000 ] - [ -0.0001747200000000, -0.0002252100000000, -0.0004072300000000 ] - [ 0.0005180600000000, -0.0003732400000000, 0.0020122700000000 ] - [ 0.0003347900000000, 0.0001657500000000, 0.0004718700000000 ] - [ -0.0002192200000000, -0.0000450300000000, -0.0005291300000000 ] - [ -0.0002487100000000, 0.0001806700000000, -0.0003212600000000 ] - [ 0.0029765300000000, -0.0019719500000000, 0.0009430700000000 ] - [ 0.0001153400000000, 0.0002043700000000, 0.0003669000000000 ] - [ 0.0030448500000000, 0.0012993600000000, 0.0002003600000000 ] - [ -0.0002933400000000, -0.0002019800000000, 0.0000497300000000 ] - [ 0.0004609200000000, 0.0000876000000000, 0.0009949900000000 ] - [ 0.0002457700000000, -0.0001763900000000, 0.0005163500000000 ] - [ 0.0008977700000000, 0.0000156500000000, -0.0002694800000000 ] - [ 0.0002880900000000, 0.0001022500000000, -0.0001335800000000 ] - [ 0.0003038600000000, -0.0000077500000000, -0.0001025300000000 ] - [ 0.0002838700000000, 0.0000707100000000, -0.0001357900000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001539900000000, -0.0003051900000000, 0.0003060100000000 ] - [ -0.0001605400000000, 0.0003218500000000, -0.0001017700000000 ] - [ 0.0001784500000000, -0.0193555200000000, -0.0004198800000000 ] - [ 0.0001588800000000, 0.0014605000000000, -0.0000307000000000 ] - [ -0.0003174200000000, -0.0003167200000000, -0.0002047400000000 ] - [ 0.0003716100000000, 0.0003315200000000, 0.0000738100000000 ] - [ -0.0001093700000000, -0.0003688200000000, 0.0000432600000000 ] - [ -0.0001652600000000, 0.0003057000000000, 0.0000408600000000 ] - [ 0.0000948800000000, -0.0002832900000000, 0.0003380800000000 ] - [ -0.0002379000000000, 0.0002993200000000, -0.0001153100000000 ] - [ 0.0001993100000000, -0.0000026800000000, 0.0000149600000000 ] - [ 0.0001067800000000, -0.0000016300000000, -0.0000929300000000 ] - [ -0.0002341300000000, -0.0003602200000000, 0.0000830900000000 ] - [ 0.0003246600000000, 0.0003691900000000, -0.0000625600000000 ] - [ -0.0014634200000000, 0.0016102200000000, -0.0017962600000000 ] - [ 0.0011390100000000, 0.0016041600000000, 0.0018546800000000 ] - [ -0.0001253800000000, 0.0004962100000000, -0.0003922200000000 ] - [ 0.0000585200000000, -0.0002986000000000, 0.0004147000000000 ] - [ -0.0002996900000000, 0.0054989300000000, 0.0067968600000000 ] - [ -0.0002075700000000, 0.0067991700000000, -0.0079474700000000 ] - [ 0.0033979000000000, -0.0019805900000000, -0.0027059600000000 ] - [ -0.0007006200000000, 0.0015289600000000, 0.0011572700000000 ] - [ -0.0046576200000000, -0.0041536800000000, 0.0004640500000000 ] - [ 0.0010400700000000, 0.0025328900000000, 0.0000144600000000 ] - [ 0.0023629300000000, -0.0021972600000000, 0.0003409500000000 ] - [ -0.0013845800000000, 0.0020261600000000, -0.0004077700000000 ] - [ 0.0002142800000000, 0.0002579200000000, 0.0003954600000000 ] - [ 0.0004401900000000, 0.0002688500000000, -0.0006621200000000 ] - [ -0.0018779600000000, -0.0046569700000000, 0.0024265300000000 ] - [ 0.0005927300000000, 0.0023043200000000, -0.0005209100000000 ] - [ -0.0001708600000000, -0.0004957000000000, -0.0001287300000000 ] - [ -0.0003214400000000, 0.0006332500000000, 0.0001592000000000 ] - [ 0.0002671600000000, -0.0004954700000000, 0.0000647500000000 ] - [ 0.0002510900000000, 0.0005671500000000, 0.0003796800000000 ] - [ -0.0010127100000000, 0.0001321000000000, -0.0000997800000000 ] - [ 0.0004071800000000, 0.0008470100000000, 0.0001495600000000 ] - [ 0.0016106000000000, -0.0004026300000000, -0.0008741700000000 ] - [ -0.0007734700000000, 0.0006664100000000, -0.0003095000000000 ] - [ 0.0000190400000000, -0.0011848000000000, -0.0000324800000000 ] - [ 0.0003595900000000, 0.0010183100000000, -0.0000747300000000 ] - [ 0.0044690200000000, 0.0046743000000000, -0.0016702500000000 ] - [ -0.0046315200000000, 0.0044208800000000, 0.0019744100000000 ] - [ 0.0000186400000000, -0.0001490400000000, 0.0001776000000000 ] - [ -0.0007575500000000, 0.0003224700000000, 0.0000136900000000 ] - [ 0.0007049500000000, 0.0001537500000000, 0.0003318300000000 ] - [ -0.0002607700000000, 0.0001074600000000, -0.0001067800000000 ] - [ -0.0001461700000000, -0.0004175600000000, -0.0006263600000000 ] - [ 0.0005737500000000, 0.0005821300000000, 0.0001586900000000 ] - [ 0.0000728600000000, -0.0006973400000000, 0.0002999600000000 ] - [ -0.0002063200000000, 0.0004545000000000, -0.0000224100000000 ] - [ 0.0006401000000000, -0.0020067000000000, -0.0012514600000000 ] - [ -0.0010745500000000, 0.0020755900000000, 0.0005194700000000 ] - [ 0.0000722800000000, -0.0033248900000000, 0.0004006900000000 ] - [ 0.0001842600000000, 0.0009892300000000, -0.0000919100000000 ] - [ 0.0006464200000000, -0.0012034000000000, -0.0028419500000000 ] - [ 0.0003237700000000, 0.0009576600000000, 0.0012264800000000 ] - [ -0.0000556900000000, 0.0028639600000000, 0.0006685000000000 ] - [ -0.0003060500000000, -0.0014730500000000, -0.0002360000000000 ] - [ -0.0010780700000000, -0.0001428800000000, 0.0002223000000000 ] - [ 0.0004395500000000, -0.0002339300000000, -0.0002068100000000 ] - [ -0.0001894900000000, 0.0005059000000000, 0.0000630300000000 ] - [ 0.0000853600000000, -0.0001457600000000, -0.0000538600000000 ] - [ 0.0000222900000000, -0.0003540100000000, 0.0009435200000000 ] - [ -0.0000992700000000, -0.0004936600000000, 0.0000064500000000 ] - [ -0.0023802100000000, -0.0001062300000000, -0.0006642600000000 ] - [ 0.0022192800000000, -0.0012153700000000, 0.0007312500000000 ] - [ -0.0001752300000000, 0.0000456300000000, -0.0001796000000000 ] - [ 0.0002174600000000, 0.0000618600000000, 0.0000058300000000 ] - [ 0.0003615800000000, 0.0008761000000000, 0.0001141800000000 ] - [ -0.0000843500000000, -0.0002581800000000, 0.0000138400000000 ] - [ -0.0001564900000000, 0.0022713700000000, -0.0004612800000000 ] - [ 0.0003165600000000, -0.0012993800000000, 0.0001223100000000 ] - [ 0.0001469000000000, 0.0005758600000000, -0.0002813600000000 ] - [ -0.0002308200000000, -0.0006363300000000, 0.0001757900000000 ] - [ 0.0004138500000000, 0.0033173500000000, -0.0004618500000000 ] - [ 0.0010217900000000, -0.0016880700000000, -0.0013550100000000 ] - [ 0.0000601400000000, -0.0003162100000000, -0.0004300300000000 ] - [ 0.0001441800000000, -0.0003578100000000, -0.0004291300000000 ] - [ 0.0005406600000000, 0.0025285300000000, 0.0000302800000000 ] - [ -0.0014771600000000, -0.0024216300000000, 0.0006287800000000 ] - [ -0.0004647200000000, 0.0003397200000000, -0.0002722300000000 ] - [ 0.0004835500000000, -0.0004992300000000, 0.0002251100000000 ] - [ 0.0002043400000000, 0.0005908000000000, 0.0006151800000000 ] - [ 0.0004443700000000, -0.0003066100000000, -0.0002085400000000 ] - [ -0.0000170600000000, 0.0004949900000000, 0.0032004800000000 ] - [ -0.0006024000000000, -0.0009449300000000, -0.0018055700000000 ] - [ 0.0009919500000000, 0.0002047700000000, 0.0002676900000000 ] - [ -0.0000826100000000, -0.0007989200000000, 0.0001476400000000 ] - [ -0.0006351100000000, 0.0004285700000000, -0.0000021400000000 ] - [ 0.0001750100000000, -0.0003685800000000, -0.0000085400000000 ] - [ -0.0000363600000000, 0.0003292500000000, 0.0008582600000000 ] - [ -0.0000912000000000, -0.0004233500000000, -0.0002697900000000 ] - [ -0.0014476100000000, -0.0028405400000000, -0.0008723900000000 ] - [ 0.0011687900000000, -0.0017287800000000, 0.0008166500000000 ] - [ 0.0007610000000000, 0.0023539600000000, -0.0013406900000000 ] - [ -0.0001038600000000, -0.0020588500000000, 0.0014008300000000 ] - [ 0.0000537600000000, -0.0001774400000000, 0.0001182700000000 ] - [ -0.0004930000000000, -0.0003475900000000, 0.0000605300000000 ] - [ 0.0001530700000000, 0.0008744500000000, -0.0000484500000000 ] - [ -0.0001489400000000, -0.0003009000000000, -0.0000628100000000 ] - [ 0.0011953700000000, -0.0014120700000000, -0.0012969500000000 ] - [ -0.0012872200000000, 0.0002455500000000, 0.0018874800000000 ] - [ -0.0004465400000000, 0.0013229900000000, 0.0006499600000000 ] - [ 0.0001859600000000, -0.0014061900000000, 0.0003276500000000 ] - [ -0.0005095800000000, 0.0007235300000000, -0.0000688700000000 ] - [ 0.0002204500000000, -0.0002623400000000, 0.0000715000000000 ] - [ 0.0000849300000000, 0.0017280300000000, -0.0004194800000000 ] - [ 0.0000245000000000, -0.0005108400000000, -0.0000330300000000 ] - [ 0.0000573000000000, -0.0001818700000000, -0.0004515500000000 ] - [ -0.0001504700000000, 0.0001549500000000, 0.0007556800000000 ] - [ 0.0003844800000000, -0.0002557800000000, -0.0000616400000000 ] - [ -0.0000133000000000, -0.0001111200000000, -0.0001157100000000 ] - [ -0.0001929400000000, 0.0005220200000000, -0.0000549300000000 ] - [ -0.0001643600000000, -0.0005149300000000, 0.0001203700000000 ] - [ 0.0000941600000000, 0.0003676200000000, 0.0001452700000000 ] - [ 0.0002343500000000, -0.0002958800000000, -0.0001899600000000 ] - [ 0.0009162100000000, 0.0025535900000000, -0.0005099200000000 ] - [ -0.0002143500000000, -0.0016909800000000, -0.0004733400000000 ] - [ 0.0000874700000000, 0.0002111400000000, -0.0003113100000000 ] - [ -0.0003390000000000, -0.0006533100000000, -0.0001071300000000 ] - [ -0.0004533500000000, 0.0003456400000000, 0.0001041600000000 ] - [ 0.0004500300000000, -0.0005800300000000, 0.0000249400000000 ] - [ 0.0002469300000000, 0.0004612700000000, -0.0000590600000000 ] - [ 0.0003917600000000, -0.0001379900000000, 0.0001791300000000 ] - [ -0.0001945400000000, 0.0004324100000000, 0.0002647000000000 ] - [ -0.0003905400000000, -0.0001194300000000, -0.0003337700000000 ] - [ 0.0014761700000000, 0.0007822800000000, 0.0008076800000000 ] - [ 0.0000177400000000, -0.0009928400000000, 0.0000224200000000 ] - [ -0.0019061900000000, 0.0012481400000000, -0.0004270400000000 ] - [ 0.0000871100000000, -0.0006664800000000, 0.0002166300000000 ] - [ 0.0003574200000000, 0.0002509000000000, 0.0007013300000000 ] - [ -0.0002564000000000, -0.0004095100000000, -0.0002969200000000 ] - [ -0.0002336000000000, 0.0003180600000000, 0.0000953500000000 ] - [ -0.0000277600000000, -0.0001026200000000, 0.0000493800000000 ] - [ 0.0001731200000000, 0.0003504600000000, -0.0001379800000000 ] - [ 0.0001748200000000, -0.0003985500000000, 0.0001086900000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001031900000000, 0.0003033300000000, -0.0002229600000000 ] - [ -0.0000964800000000, -0.0003262200000000, 0.0001845700000000 ] - [ -0.0001633800000000, 0.0193827500000000, 0.0003725400000000 ] - [ 0.0001317600000000, -0.0014859200000000, -0.0000383600000000 ] - [ 0.0005747200000000, 0.0003158000000000, 0.0001217100000000 ] - [ -0.0001133000000000, -0.0003357100000000, -0.0001563500000000 ] - [ -0.0001815900000000, 0.0003427400000000, 0.0000244100000000 ] - [ -0.0001252700000000, -0.0003319300000000, 0.0000276900000000 ] - [ -0.0003520800000000, 0.0002779600000000, -0.0002549500000000 ] - [ -0.0000191000000000, -0.0003021600000000, 0.0001997500000000 ] - [ 0.0000923600000000, -0.0000244800000000, -0.0000839600000000 ] - [ 0.0001853200000000, -0.0000239700000000, 0.0000239000000000 ] - [ 0.0004935800000000, 0.0003530300000000, -0.0001679100000000 ] - [ -0.0000683800000000, -0.0003719700000000, -0.0000214000000000 ] - [ 0.0011614500000000, -0.0016305700000000, 0.0018496000000000 ] - [ -0.0014414600000000, -0.0016364500000000, -0.0018018100000000 ] - [ 0.0001260100000000, -0.0004076300000000, 0.0003903200000000 ] - [ -0.0000642700000000, 0.0003948700000000, -0.0004111500000000 ] - [ -0.0002185300000000, -0.0052766800000000, -0.0065701600000000 ] - [ -0.0003119700000000, -0.0066710700000000, 0.0081877600000000 ] - [ -0.0029536500000000, 0.0019798000000000, 0.0030648000000000 ] - [ 0.0011482500000000, -0.0015218000000000, -0.0007967900000000 ] - [ 0.0046464400000000, 0.0044643800000000, -0.0004566900000000 ] - [ -0.0010348400000000, -0.0022481800000000, -0.0000141800000000 ] - [ -0.0028011100000000, 0.0021775200000000, -0.0007030800000000 ] - [ 0.0009436900000000, -0.0020246300000000, 0.0000432400000000 ] - [ 0.0003113100000000, -0.0000747900000000, -0.0005463000000000 ] - [ 0.0000850700000000, -0.0000758700000000, 0.0005078000000000 ] - [ 0.0018730600000000, 0.0047256100000000, -0.0024640800000000 ] - [ -0.0005935400000000, -0.0022124400000000, 0.0005240600000000 ] - [ -0.0003548500000000, 0.0006833000000000, 0.0002834600000000 ] - [ -0.0002007800000000, -0.0004458400000000, -0.0000022300000000 ] - [ 0.0001804400000000, 0.0005068100000000, 0.0003067600000000 ] - [ 0.0001927000000000, -0.0005676200000000, -0.0000181900000000 ] - [ 0.0010171100000000, 0.0001458000000000, 0.0000966300000000 ] - [ -0.0004103100000000, -0.0005564000000000, -0.0001478200000000 ] - [ -0.0020451800000000, 0.0004156700000000, 0.0004985500000000 ] - [ 0.0003230200000000, -0.0006664700000000, -0.0000519600000000 ] - [ 0.0005047200000000, 0.0013725600000000, -0.0000924600000000 ] - [ 0.0001648000000000, -0.0008317200000000, -0.0000835700000000 ] - [ -0.0046897700000000, -0.0047113600000000, 0.0017743400000000 ] - [ 0.0044025300000000, -0.0045295600000000, -0.0018652200000000 ] - [ -0.0007952500000000, 0.0003200300000000, -0.0000214100000000 ] - [ -0.0000153400000000, -0.0001494500000000, 0.0001350300000000 ] - [ -0.0004335100000000, -0.0002330800000000, -0.0004625200000000 ] - [ 0.0005323800000000, -0.0001809100000000, -0.0000237100000000 ] - [ 0.0009168500000000, 0.0005787600000000, 0.0004806300000000 ] - [ 0.0001997300000000, -0.0004102900000000, -0.0003080700000000 ] - [ -0.0003380700000000, 0.0006215300000000, -0.0001715500000000 ] - [ -0.0000626200000000, -0.0005292800000000, 0.0001494900000000 ] - [ -0.0014123500000000, 0.0022140100000000, 0.0014023700000000 ] - [ 0.0002958700000000, -0.0019016200000000, -0.0003679100000000 ] - [ 0.0002357300000000, 0.0032495900000000, -0.0005256800000000 ] - [ 0.0000823400000000, -0.0010635000000000, -0.0000382100000000 ] - [ 0.0001274500000000, 0.0013786400000000, 0.0026971500000000 ] - [ 0.0004513000000000, -0.0007892600000000, -0.0013705800000000 ] - [ -0.0002701600000000, -0.0029497100000000, -0.0004695600000000 ] - [ -0.0000292800000000, 0.0013922900000000, 0.0004440100000000 ] - [ 0.0010488600000000, 0.0003507700000000, -0.0001926500000000 ] - [ -0.0004795200000000, 0.0004305800000000, 0.0002335400000000 ] - [ 0.0000785800000000, -0.0001702100000000, -0.0000685500000000 ] - [ -0.0002096200000000, 0.0004814600000000, 0.0000524500000000 ] - [ -0.0002092500000000, -0.0003009400000000, -0.0000627300000000 ] - [ -0.0000873600000000, -0.0001663500000000, 0.0008723900000000 ] - [ 0.0023918000000000, 0.0003156800000000, 0.0006333000000000 ] - [ -0.0021994400000000, 0.0014249200000000, -0.0007614100000000 ] - [ 0.0003528800000000, 0.0001359600000000, 0.0000456800000000 ] - [ -0.0000394900000000, 0.0001163100000000, -0.0001309500000000 ] - [ -0.0002323300000000, -0.0005362500000000, -0.0001191900000000 ] - [ 0.0002003400000000, 0.0005943800000000, -0.0000093400000000 ] - [ 0.0004887900000000, -0.0023558000000000, 0.0002565600000000 ] - [ 0.0000125800000000, 0.0012252800000000, -0.0003311400000000 ] - [ -0.0005127800000000, -0.0006024200000000, 0.0003590400000000 ] - [ -0.0001336400000000, 0.0005917600000000, -0.0001080800000000 ] - [ 0.0000632500000000, -0.0031693100000000, 0.0003216700000000 ] - [ -0.0006406500000000, 0.0017261700000000, 0.0012960500000000 ] - [ 0.0001261200000000, -0.0003390300000000, -0.0004488900000000 ] - [ 0.0000415600000000, -0.0003029500000000, -0.0004469600000000 ] - [ -0.0008884600000000, -0.0031105200000000, -0.0004642100000000 ] - [ 0.0010337800000000, 0.0019248800000000, -0.0010091100000000 ] - [ 0.0005463200000000, -0.0005561400000000, 0.0002020100000000 ] - [ -0.0004040000000000, 0.0002789000000000, -0.0002979200000000 ] - [ 0.0004328800000000, -0.0003134000000000, -0.0003980000000000 ] - [ 0.0001983000000000, 0.0005886800000000, 0.0004215100000000 ] - [ -0.0006148200000000, -0.0002178600000000, -0.0034150700000000 ] - [ -0.0000306000000000, 0.0012392300000000, 0.0015875500000000 ] - [ -0.0005618100000000, -0.0006968100000000, 0.0001161700000000 ] - [ 0.0005165000000000, 0.0003068600000000, 0.0002391400000000 ] - [ 0.0002538800000000, -0.0003833800000000, 0.0000553900000000 ] - [ -0.0005588600000000, 0.0004084300000000, 0.0000657500000000 ] - [ -0.0000449600000000, -0.0005475900000000, -0.0007849400000000 ] - [ 0.0000135500000000, 0.0002033700000000, 0.0003528100000000 ] - [ 0.0012724700000000, 0.0030741100000000, 0.0009881300000000 ] - [ -0.0013305200000000, 0.0017746900000000, -0.0006985500000000 ] - [ -0.0003837000000000, -0.0023504400000000, 0.0013236900000000 ] - [ 0.0004709800000000, 0.0020124700000000, -0.0014753100000000 ] - [ -0.0003840000000000, 0.0001060200000000, 0.0000915200000000 ] - [ 0.0001590700000000, 0.0002615900000000, 0.0001467700000000 ] - [ -0.0001952300000000, -0.0006732500000000, 0.0000733600000000 ] - [ 0.0001252400000000, 0.0005116500000000, 0.0000925900000000 ] - [ -0.0013184700000000, 0.0017464400000000, 0.0012862100000000 ] - [ 0.0011690900000000, 0.0000840900000000, -0.0019054200000000 ] - [ 0.0002643000000000, -0.0019826800000000, 0.0002298200000000 ] - [ -0.0003736500000000, 0.0007500500000000, 0.0005474900000000 ] - [ 0.0005398600000000, -0.0005188400000000, 0.0000406600000000 ] - [ -0.0001827500000000, 0.0004634300000000, -0.0000993600000000 ] - [ 0.0001025700000000, -0.0015517900000000, 0.0003125000000000 ] - [ 0.0001565300000000, 0.0006899200000000, -0.0000924100000000 ] - [ 0.0000522300000000, 0.0005205700000000, 0.0004559900000000 ] - [ 0.0002667400000000, 0.0001771000000000, -0.0007522900000000 ] - [ -0.0000499500000000, 0.0001733000000000, -0.0001459500000000 ] - [ 0.0003464900000000, 0.0000266700000000, -0.0000921900000000 ] - [ -0.0001697100000000, -0.0005821900000000, 0.0001149100000000 ] - [ -0.0002009100000000, 0.0004746400000000, -0.0000478400000000 ] - [ 0.0002869200000000, -0.0003289900000000, -0.0002017300000000 ] - [ 0.0001435700000000, 0.0003380900000000, 0.0001389000000000 ] - [ -0.0007338700000000, -0.0032165800000000, -0.0003527500000000 ] - [ 0.0004027200000000, 0.0010333300000000, -0.0004061900000000 ] - [ -0.0005242100000000, -0.0007015300000000, -0.0000733200000000 ] - [ -0.0000957700000000, 0.0001593800000000, -0.0002775100000000 ] - [ 0.0005293600000000, -0.0005719800000000, -0.0001773000000000 ] - [ -0.0003696600000000, 0.0003601600000000, -0.0001029300000000 ] - [ 0.0003864700000000, -0.0001627000000000, 0.0002566100000000 ] - [ 0.0002482800000000, 0.0004238200000000, 0.0000347400000000 ] - [ -0.0004474600000000, -0.0001472200000000, -0.0004764900000000 ] - [ -0.0002449100000000, 0.0004104700000000, 0.0001272200000000 ] - [ -0.0010475200000000, -0.0012630100000000, -0.0004220500000000 ] - [ 0.0004215300000000, 0.0004990400000000, 0.0003623200000000 ] - [ 0.0015076100000000, -0.0012233300000000, 0.0004846000000000 ] - [ -0.0004688900000000, 0.0007052100000000, -0.0001573300000000 ] - [ -0.0004379200000000, -0.0004732100000000, -0.0006316300000000 ] - [ 0.0001730900000000, 0.0001902400000000, 0.0003593700000000 ] - [ 0.0000490800000000, -0.0001374000000000, 0.0000388200000000 ] - [ -0.0001524100000000, 0.0002817300000000, 0.0000716600000000 ] - [ 0.0001917900000000, -0.0003896100000000, 0.0000669900000000 ] - [ 0.0001927600000000, 0.0003536700000000, -0.0001779800000000 ]- atom: 3 displacement: [ -0.0066066504307377, 0.0000000000000000, 0.0075068082489187 ] forces: - [ -0.0008146600000000, 0.0003359700000000, 0.0011364800000000 ] - [ -0.0003638800000000, -0.0001908300000000, 0.0003980200000000 ] - [ 0.0131468500000000, -0.0004344400000000, -0.0196306800000000 ] - [ 0.0004688700000000, -0.0000190900000000, -0.0004008100000000 ] - [ 0.0004123600000000, 0.0002226600000000, -0.0006632400000000 ] - [ 0.0002976600000000, -0.0001136800000000, -0.0003079600000000 ] - [ -0.0008098700000000, 0.0000039600000000, 0.0006393600000000 ] - [ -0.0003943900000000, -0.0000311500000000, 0.0002856200000000 ] - [ 0.0005316700000000, 0.0001279600000000, 0.0000039100000000 ] - [ 0.0001517900000000, -0.0001193000000000, -0.0000595500000000 ] - [ -0.0001553800000000, -0.0000307700000000, 0.0001676900000000 ] - [ -0.0001770100000000, -0.0000112000000000, 0.0001488400000000 ] - [ -0.0012237200000000, 0.0005156600000000, 0.0006518800000000 ] - [ -0.0002379900000000, -0.0002638700000000, 0.0001489000000000 ] - [ 0.0008739600000000, -0.0005373800000000, -0.0004624300000000 ] - [ 0.0008777300000000, 0.0004922000000000, -0.0004596800000000 ] - [ 0.0002172100000000, -0.0006663700000000, 0.0003513700000000 ] - [ -0.0000483200000000, 0.0003877200000000, 0.0005301300000000 ] - [ 0.0014316500000000, 0.0053234200000000, -0.0015334900000000 ] - [ 0.0024886700000000, -0.0052055800000000, -0.0009111400000000 ] - [ -0.0036707200000000, -0.0022180500000000, 0.0044075600000000 ] - [ -0.0001732300000000, 0.0006440700000000, 0.0009682400000000 ] - [ -0.0088310500000000, 0.0030262100000000, 0.0010521500000000 ] - [ -0.0005333400000000, -0.0005034100000000, -0.0000204400000000 ] - [ -0.0024148600000000, -0.0027735200000000, -0.0018838700000000 ] - [ -0.0007041100000000, 0.0004432700000000, -0.0005637200000000 ] - [ -0.0004183500000000, 0.0013614200000000, 0.0016557500000000 ] - [ -0.0001390900000000, -0.0008691700000000, 0.0018710400000000 ] - [ 0.0005285400000000, 0.0030485200000000, 0.0099973800000000 ] - [ 0.0000574100000000, -0.0002936100000000, 0.0002707800000000 ] - [ -0.0009177300000000, 0.0003439100000000, 0.0012989500000000 ] - [ -0.0005395700000000, -0.0000268000000000, 0.0005226400000000 ] - [ 0.0003574000000000, -0.0000453800000000, 0.0002525400000000 ] - [ 0.0003359100000000, 0.0003130800000000, 0.0002614700000000 ] - [ -0.0010484400000000, 0.0010587900000000, -0.0002792300000000 ] - [ -0.0000763600000000, -0.0005964700000000, -0.0003819500000000 ] - [ -0.0033367300000000, -0.0009654800000000, -0.0001962500000000 ] - [ -0.0004311800000000, 0.0004730600000000, -0.0003882800000000 ] - [ 0.0028473600000000, 0.0002793000000000, 0.0013951000000000 ] - [ 0.0005939000000000, -0.0000046600000000, -0.0004302000000000 ] - [ 0.0014788700000000, -0.0048059100000000, -0.0032464600000000 ] - [ 0.0019302400000000, 0.0047833000000000, -0.0029260900000000 ] - [ -0.0008588600000000, 0.0000712500000000, 0.0000773000000000 ] - [ -0.0004375500000000, 0.0002535200000000, -0.0000721900000000 ] - [ -0.0012755100000000, -0.0007430100000000, 0.0002332000000000 ] - [ -0.0010898500000000, 0.0009985900000000, 0.0008788200000000 ] - [ 0.0003977600000000, -0.0007536300000000, 0.0012553000000000 ] - [ 0.0002972000000000, 0.0003857500000000, 0.0002472200000000 ] - [ -0.0011902800000000, 0.0000444200000000, 0.0001411700000000 ] - [ -0.0005551900000000, -0.0000998500000000, 0.0003266500000000 ] - [ -0.0037335500000000, -0.0039493000000000, 0.0027535800000000 ] - [ -0.0011098500000000, 0.0008777300000000, 0.0006512500000000 ] - [ 0.0016405100000000, 0.0006568600000000, -0.0047084300000000 ] - [ 0.0006102500000000, -0.0000903400000000, -0.0004868800000000 ] - [ 0.0012777800000000, -0.0007660500000000, 0.0011859500000000 ] - [ 0.0007325500000000, 0.0003730500000000, 0.0000878400000000 ] - [ 0.0016069600000000, 0.0009247800000000, 0.0015582400000000 ] - [ -0.0000741300000000, 0.0000267800000000, 0.0003244400000000 ] - [ 0.0015248800000000, 0.0010387200000000, -0.0003193800000000 ] - [ 0.0006144600000000, -0.0003558400000000, -0.0005025400000000 ] - [ 0.0002158600000000, 0.0000866500000000, -0.0001462700000000 ] - [ 0.0000449800000000, 0.0001332800000000, -0.0000312700000000 ] - [ -0.0004046000000000, 0.0002826200000000, 0.0000106300000000 ] - [ -0.0000970600000000, -0.0006391300000000, 0.0001540400000000 ] - [ -0.0000191000000000, 0.0012870200000000, 0.0012378400000000 ] - [ 0.0001471300000000, -0.0009502200000000, 0.0012368300000000 ] - [ 0.0011220100000000, 0.0000789100000000, -0.0010688900000000 ] - [ 0.0009973900000000, 0.0001003800000000, -0.0011697300000000 ] - [ -0.0005433000000000, 0.0005232600000000, -0.0015393200000000 ] - [ -0.0000421300000000, 0.0001210000000000, -0.0000439600000000 ] - [ 0.0017170300000000, 0.0001789400000000, -0.0011634700000000 ] - [ 0.0003233100000000, 0.0000260200000000, -0.0003056600000000 ] - [ 0.0004525900000000, -0.0017304800000000, -0.0017697900000000 ] - [ -0.0000940700000000, 0.0003075900000000, -0.0003841800000000 ] - [ -0.0012890000000000, -0.0002352500000000, 0.0025929400000000 ] - [ -0.0000575500000000, -0.0012088300000000, -0.0000361200000000 ] - [ 0.0002143500000000, -0.0000998000000000, -0.0005304600000000 ] - [ 0.0000932700000000, -0.0004914900000000, -0.0004974200000000 ] - [ -0.0014968400000000, -0.0011477200000000, 0.0023163100000000 ] - [ -0.0002597700000000, 0.0011043100000000, 0.0000945800000000 ] - [ 0.0003956000000000, 0.0002273500000000, 0.0008712000000000 ] - [ 0.0001614700000000, -0.0001894000000000, 0.0002963000000000 ] - [ 0.0008944500000000, 0.0013065600000000, -0.0020828500000000 ] - [ 0.0006710300000000, -0.0001030800000000, -0.0004765300000000 ] - [ -0.0015357800000000, 0.0016269800000000, -0.0006766300000000 ] - [ -0.0007784300000000, -0.0004987100000000, 0.0000902900000000 ] - [ 0.0017326400000000, -0.0014649100000000, -0.0001792400000000 ] - [ 0.0005863400000000, 0.0000168300000000, 0.0001621200000000 ] - [ 0.0006011000000000, 0.0008316000000000, -0.0003445800000000 ] - [ 0.0000954000000000, -0.0002654200000000, -0.0000392400000000 ] - [ 0.0001571200000000, 0.0000705700000000, -0.0013502100000000 ] - [ 0.0000234700000000, -0.0002142900000000, -0.0003174500000000 ] - [ -0.0023191500000000, 0.0000664300000000, 0.0025890400000000 ] - [ -0.0025088700000000, 0.0000394700000000, 0.0025957600000000 ] - [ -0.0010663200000000, -0.0018618900000000, 0.0008028000000000 ] - [ -0.0001114400000000, 0.0005368100000000, 0.0002044800000000 ] - [ 0.0000659000000000, -0.0004120200000000, 0.0000717300000000 ] - [ 0.0003013100000000, 0.0006592100000000, 0.0003426800000000 ] - [ -0.0006168200000000, -0.0001005500000000, 0.0007501900000000 ] - [ -0.0002126300000000, 0.0000487800000000, 0.0000959100000000 ] - [ 0.0003118700000000, -0.0012903800000000, -0.0002977900000000 ] - [ -0.0002966200000000, 0.0023139400000000, -0.0005202800000000 ] - [ -0.0009385200000000, 0.0001726200000000, -0.0008281100000000 ] - [ -0.0001315000000000, -0.0003580700000000, 0.0003076700000000 ] - [ 0.0010292500000000, -0.0001616500000000, 0.0000955800000000 ] - [ 0.0002367100000000, 0.0000418000000000, -0.0000226600000000 ] - [ -0.0016153300000000, -0.0001129600000000, 0.0026172800000000 ] - [ -0.0003162300000000, 0.0000904400000000, 0.0002820900000000 ] - [ 0.0000218200000000, -0.0003364700000000, -0.0003813300000000 ] - [ 0.0002374200000000, 0.0007877400000000, -0.0006256500000000 ] - [ 0.0002213600000000, -0.0004963100000000, 0.0001570400000000 ] - [ 0.0001214700000000, 0.0002406100000000, 0.0000262900000000 ] - [ -0.0004738600000000, -0.0003977300000000, -0.0002027000000000 ] - [ -0.0003577500000000, 0.0002590000000000, 0.0001696300000000 ] - [ 0.0003423600000000, -0.0000359300000000, -0.0001558000000000 ] - [ 0.0002909100000000, -0.0000562900000000, -0.0001529700000000 ] - [ -0.0011147500000000, 0.0003991500000000, -0.0001263100000000 ] - [ 0.0001116700000000, -0.0005246200000000, -0.0004787500000000 ] - [ 0.0002284200000000, -0.0002696600000000, -0.0002326500000000 ] - [ -0.0000319700000000, -0.0000065100000000, -0.0002509700000000 ] - [ 0.0018362400000000, 0.0006006500000000, -0.0000510600000000 ] - [ 0.0004820800000000, -0.0003215600000000, -0.0000904700000000 ] - [ -0.0000780800000000, 0.0002620500000000, 0.0000722800000000 ] - [ 0.0001981900000000, 0.0000924700000000, 0.0002850700000000 ] - [ -0.0000592300000000, 0.0001646600000000, -0.0011492100000000 ] - [ -0.0001735700000000, 0.0000833900000000, -0.0004254100000000 ] - [ 0.0010498200000000, -0.0007298100000000, 0.0015766800000000 ] - [ 0.0000302100000000, 0.0000294400000000, 0.0004368800000000 ] - [ 0.0012552800000000, 0.0002182000000000, 0.0018104400000000 ] - [ -0.0003098500000000, -0.0001219600000000, 0.0002907600000000 ] - [ -0.0008880000000000, -0.0000023300000000, -0.0003233100000000 ] - [ -0.0003321900000000, -0.0002171600000000, 0.0000462500000000 ] - [ 0.0006697600000000, -0.0000005200000000, -0.0004914700000000 ] - [ 0.0002479000000000, 0.0001026700000000, -0.0002644200000000 ] - [ 0.0003775700000000, -0.0000982300000000, -0.0004445600000000 ] - [ 0.0003106100000000, 0.0002801600000000, -0.0003223400000000 ]- atom: 3 displacement: [ 0.0066066504307377, 0.0000000000000000, -0.0075068082489187 ] forces: - [ 0.0005577700000000, -0.0003428700000000, -0.0010558700000000 ] - [ 0.0001065300000000, 0.0001882400000000, -0.0003146600000000 ] - [ -0.0130402000000000, 0.0003847300000000, 0.0193539200000000 ] - [ -0.0001773500000000, -0.0000070900000000, 0.0003315300000000 ] - [ -0.0001570000000000, -0.0002253600000000, 0.0005790600000000 ] - [ -0.0000409000000000, 0.0001098900000000, 0.0002243000000000 ] - [ 0.0005206100000000, -0.0000300000000000, -0.0005679900000000 ] - [ 0.0001039500000000, 0.0000052600000000, -0.0002156600000000 ] - [ -0.0007871300000000, -0.0001315000000000, 0.0000790400000000 ] - [ -0.0004083600000000, 0.0001158600000000, 0.0001427700000000 ] - [ 0.0004462400000000, 0.0000050500000000, -0.0002368400000000 ] - [ 0.0004679500000000, -0.0000153500000000, -0.0002179200000000 ] - [ 0.0014729100000000, -0.0005148500000000, -0.0007336500000000 ] - [ 0.0004940600000000, 0.0002588500000000, -0.0002327100000000 ] - [ -0.0011634800000000, 0.0005021000000000, 0.0005394400000000 ] - [ -0.0011664400000000, -0.0005103400000000, 0.0005366500000000 ] - [ -0.0002176800000000, 0.0007593200000000, -0.0003531400000000 ] - [ 0.0000455300000000, -0.0002970900000000, -0.0005301100000000 ] - [ -0.0019402100000000, -0.0051346800000000, 0.0016644000000000 ] - [ -0.0029819900000000, 0.0053820600000000, 0.0010308800000000 ] - [ 0.0041307800000000, 0.0022696500000000, -0.0040558800000000 ] - [ 0.0006135000000000, -0.0006399300000000, -0.0006018200000000 ] - [ 0.0089032900000000, -0.0027883100000000, -0.0010363000000000 ] - [ 0.0005295400000000, 0.0007899900000000, 0.0000238600000000 ] - [ 0.0019692600000000, 0.0027875500000000, 0.0015225800000000 ] - [ 0.0002556900000000, -0.0004404100000000, 0.0001984300000000 ] - [ 0.0009450700000000, -0.0011702800000000, -0.0018087400000000 ] - [ 0.0006654100000000, 0.0010465800000000, -0.0020191200000000 ] - [ -0.0005121000000000, -0.0029198500000000, -0.0098978900000000 ] - [ -0.0000532800000000, 0.0003829600000000, -0.0002723900000000 ] - [ 0.0003919000000000, -0.0001607700000000, -0.0011462400000000 ] - [ 0.0000170700000000, 0.0002120500000000, -0.0003706000000000 ] - [ 0.0000927000000000, 0.0000478500000000, 0.0001076200000000 ] - [ 0.0001090700000000, -0.0003015000000000, 0.0001035500000000 ] - [ 0.0010513400000000, -0.0007737800000000, 0.0002772600000000 ] - [ 0.0000787400000000, 0.0008787200000000, 0.0003796800000000 ] - [ 0.0028794800000000, 0.0009603400000000, -0.0001806900000000 ] - [ -0.0000132100000000, -0.0004621100000000, 0.0000183900000000 ] - [ -0.0023461500000000, -0.0000946000000000, -0.0015232700000000 ] - [ -0.0000727500000000, 0.0001873800000000, 0.0002796200000000 ] - [ -0.0017626700000000, 0.0047386400000000, 0.0033944900000000 ] - [ -0.0022153300000000, -0.0048610700000000, 0.0030673900000000 ] - [ 0.0000791600000000, 0.0000999700000000, 0.0000737700000000 ] - [ -0.0003395600000000, -0.0000836900000000, 0.0002195700000000 ] - [ 0.0015483200000000, 0.0006671700000000, -0.0003586300000000 ] - [ 0.0013596100000000, -0.0010785900000000, -0.0010077500000000 ] - [ 0.0003765300000000, 0.0009303000000000, -0.0014093200000000 ] - [ 0.0004793400000000, -0.0002145400000000, -0.0003971200000000 ] - [ 0.0009181400000000, -0.0001202500000000, -0.0000139300000000 ] - [ 0.0002827900000000, 0.0000241000000000, -0.0001979500000000 ] - [ 0.0029317300000000, 0.0041021000000000, -0.0025772700000000 ] - [ 0.0003314700000000, -0.0007034400000000, -0.0005022800000000 ] - [ -0.0013347700000000, -0.0007298900000000, 0.0045662300000000 ] - [ -0.0003394600000000, 0.0000153900000000, 0.0003575700000000 ] - [ -0.0004943200000000, 0.0009295900000000, -0.0013388300000000 ] - [ 0.0000455200000000, -0.0002014400000000, -0.0002375500000000 ] - [ -0.0019135500000000, -0.0010168400000000, -0.0013673000000000 ] - [ -0.0002589600000000, -0.0001090100000000, -0.0001181300000000 ] - [ -0.0015517800000000, -0.0008381600000000, 0.0003471400000000 ] - [ -0.0006394200000000, 0.0005638000000000, 0.0005314800000000 ] - [ -0.0003417600000000, 0.0002515400000000, 0.0001438100000000 ] - [ -0.0001699500000000, 0.0002043700000000, 0.0000279700000000 ] - [ 0.0002227400000000, -0.0009471900000000, 0.0008675900000000 ] - [ -0.0000875600000000, -0.0000196300000000, 0.0007220100000000 ] - [ 0.0000428400000000, -0.0010757200000000, -0.0012736000000000 ] - [ -0.0001159100000000, 0.0011590400000000, -0.0012688900000000 ] - [ -0.0009430300000000, 0.0000991500000000, 0.0009485600000000 ] - [ -0.0008168200000000, 0.0000809900000000, 0.0010467800000000 ] - [ 0.0006725000000000, -0.0001878000000000, 0.0015511100000000 ] - [ 0.0001592200000000, 0.0002172600000000, 0.0000465000000000 ] - [ -0.0013964400000000, -0.0002575200000000, 0.0009564400000000 ] - [ 0.0000108100000000, -0.0001053600000000, 0.0000976500000000 ] - [ -0.0008225500000000, 0.0016743100000000, 0.0018340600000000 ] - [ -0.0002736900000000, -0.0003510700000000, 0.0004539300000000 ] - [ 0.0017952000000000, 0.0004225000000000, -0.0027644500000000 ] - [ 0.0004381600000000, 0.0012489400000000, -0.0000207900000000 ] - [ -0.0000292500000000, -0.0005609900000000, -0.0003491500000000 ] - [ 0.0000931400000000, -0.0001682100000000, -0.0003803400000000 ] - [ 0.0011878000000000, 0.0005341600000000, -0.0027759000000000 ] - [ -0.0001769000000000, -0.0015975200000000, -0.0004780400000000 ] - [ -0.0003103600000000, -0.0004487800000000, -0.0009372000000000 ] - [ -0.0000784000000000, -0.0000316600000000, -0.0003691400000000 ] - [ -0.0002586900000000, -0.0010122800000000, 0.0022844600000000 ] - [ -0.0000374700000000, 0.0003946800000000, 0.0006802500000000 ] - [ 0.0008882600000000, -0.0013358000000000, 0.0004829700000000 ] - [ 0.0001407000000000, 0.0007854300000000, -0.0002978000000000 ] - [ -0.0012960700000000, 0.0009754800000000, 0.0005628300000000 ] - [ -0.0001466700000000, -0.0005127700000000, 0.0002214100000000 ] - [ -0.0009734800000000, -0.0007884300000000, 0.0003880600000000 ] - [ -0.0004724100000000, 0.0003093000000000, 0.0000902900000000 ] - [ -0.0002344000000000, -0.0002944300000000, 0.0014308600000000 ] - [ -0.0001035800000000, -0.0000051400000000, 0.0003911400000000 ] - [ 0.0021460700000000, 0.0001253700000000, -0.0024571600000000 ] - [ 0.0023350300000000, 0.0001292900000000, -0.0024645500000000 ] - [ 0.0014300700000000, 0.0018417100000000, -0.0008150800000000 ] - [ 0.0004742000000000, -0.0005793000000000, -0.0002716400000000 ] - [ -0.0003967600000000, 0.0003361700000000, 0.0001366500000000 ] - [ -0.0006343300000000, -0.0007341900000000, -0.0001284600000000 ] - [ 0.0005804100000000, 0.0003054900000000, -0.0007214500000000 ] - [ 0.0001900900000000, 0.0001642900000000, -0.0000652100000000 ] - [ -0.0004326900000000, 0.0016210900000000, 0.0002936300000000 ] - [ 0.0001736900000000, -0.0019591700000000, 0.0005153300000000 ] - [ 0.0007476900000000, -0.0008315000000000, 0.0017031000000000 ] - [ -0.0000541200000000, -0.0003016900000000, 0.0005715500000000 ] - [ -0.0009999800000000, 0.0003678400000000, -0.0001206300000000 ] - [ -0.0002042900000000, 0.0001600400000000, -0.0000066300000000 ] - [ 0.0017825700000000, 0.0002937000000000, -0.0027558400000000 ] - [ 0.0004966400000000, 0.0000900800000000, -0.0004121000000000 ] - [ 0.0001026100000000, 0.0006729600000000, 0.0003835900000000 ] - [ -0.0001174900000000, -0.0004504300000000, 0.0006304600000000 ] - [ 0.0001148800000000, 0.0004076100000000, -0.0003632200000000 ] - [ 0.0002116000000000, -0.0003198800000000, -0.0002370200000000 ] - [ 0.0001136200000000, 0.0003522100000000, 0.0002662900000000 ] - [ -0.0000073800000000, -0.0002991600000000, -0.0000983200000000 ] - [ 0.0000334600000000, 0.0000781600000000, 0.0001036600000000 ] - [ 0.0000819300000000, 0.0000997900000000, 0.0001071700000000 ] - [ 0.0011394500000000, -0.0010965600000000, -0.0005269100000000 ] - [ 0.0000719100000000, -0.0001371900000000, -0.0004000700000000 ] - [ -0.0006671900000000, -0.0002231500000000, -0.0001514400000000 ] - [ -0.0004106300000000, -0.0004899500000000, -0.0001321600000000 ] - [ -0.0017455300000000, -0.0008164300000000, -0.0000215300000000 ] - [ -0.0004024600000000, 0.0001005000000000, 0.0000093800000000 ] - [ 0.0007167900000000, 0.0000269200000000, 0.0001289900000000 ] - [ 0.0004405000000000, 0.0001938400000000, -0.0000750600000000 ] - [ -0.0005733000000000, 0.0001285100000000, 0.0009491400000000 ] - [ -0.0004601000000000, 0.0002096200000000, 0.0002191600000000 ] - [ -0.0006190700000000, 0.0002399100000000, -0.0011831100000000 ] - [ 0.0004105200000000, -0.0005249800000000, -0.0000509800000000 ] - [ -0.0016519000000000, -0.0001832300000000, -0.0017386300000000 ] - [ -0.0000750100000000, 0.0001611000000000, -0.0002300300000000 ] - [ 0.0008028700000000, -0.0002176000000000, 0.0003961900000000 ] - [ 0.0002484100000000, -0.0000035200000000, 0.0000195000000000 ] - [ -0.0008493100000000, 0.0001801200000000, 0.0006112900000000 ] - [ -0.0004269300000000, 0.0000768100000000, 0.0003849400000000 ] - [ -0.0000111200000000, 0.0000490800000000, 0.0003773900000000 ] - [ 0.0000556800000000, -0.0003289600000000, 0.0002533600000000 ]- atom: 17 displacement: [ 0.0099999989202427, 0.0000000000000000, 0.0000046470576681 ] forces: - [ 0.0003023300000000, -0.0007125300000000, 0.0002718600000000 ] - [ 0.0090695900000000, 0.0037784700000000, 0.0041521100000000 ] - [ 0.0001215900000000, -0.0001379500000000, 0.0002345700000000 ] - [ -0.0001786700000000, 0.0000479900000000, -0.0003822700000000 ] - [ 0.0005606800000000, 0.0007059500000000, 0.0001873900000000 ] - [ 0.0092334300000000, -0.0037386700000000, 0.0040189400000000 ] - [ -0.0001692000000000, 0.0001108400000000, 0.0003051200000000 ] - [ -0.0004662000000000, -0.0000751400000000, -0.0003089300000000 ] - [ 0.0016298700000000, 0.0006550800000000, -0.0006151100000000 ] - [ 0.0007042000000000, -0.0005123200000000, -0.0001649900000000 ] - [ -0.0031276400000000, -0.0018835800000000, -0.0021933600000000 ] - [ -0.0001960200000000, 0.0005769100000000, -0.0002621800000000 ] - [ 0.0018947200000000, -0.0006654000000000, -0.0007029200000000 ] - [ 0.0009586900000000, 0.0005096100000000, -0.0002526400000000 ] - [ -0.0034011000000000, 0.0018645300000000, -0.0021499200000000 ] - [ -0.0004883400000000, -0.0006070600000000, -0.0001942900000000 ] - [ -0.3463799200000000, -0.0000465000000000, -0.0449592600000000 ] - [ -0.0045829400000000, 0.0000431900000000, 0.0008629200000000 ] - [ 0.0014287500000000, 0.0004166800000000, 0.0004330900000000 ] - [ 0.0003097000000000, 0.0000334000000000, 0.0000343300000000 ] - [ 0.0045977100000000, -0.0017613600000000, 0.0063627900000000 ] - [ 0.0000687900000000, 0.0007340600000000, 0.0014950000000000 ] - [ 0.0000291800000000, 0.0001411000000000, 0.0026020200000000 ] - [ 0.0013714200000000, 0.0001400400000000, 0.0031706800000000 ] - [ 0.0041665600000000, 0.0017641700000000, 0.0059831800000000 ] - [ -0.0003709400000000, -0.0007206500000000, 0.0011341400000000 ] - [ 0.0019592400000000, -0.0002178100000000, 0.0002889300000000 ] - [ 0.0008350500000000, 0.0001566300000000, -0.0001233700000000 ] - [ 0.0011197600000000, 0.0000475300000000, -0.0000993500000000 ] - [ 0.0011175900000000, 0.0000491200000000, 0.0000464300000000 ] - [ -0.0142621200000000, -0.0032494600000000, -0.0043307100000000 ] - [ -0.0131515600000000, 0.0263686900000000, -0.0068707800000000 ] - [ 0.0010883100000000, 0.0004229400000000, -0.0007112900000000 ] - [ 0.0038999100000000, 0.0000352800000000, -0.0034582500000000 ] - [ 0.0008805400000000, 0.0001405000000000, -0.0038160600000000 ] - [ 0.0020801300000000, 0.0001374800000000, -0.0014244200000000 ] - [ 0.0006428800000000, -0.0004226400000000, -0.0010791200000000 ] - [ 0.0034499700000000, -0.0000114300000000, -0.0038422700000000 ] - [ -0.0136851400000000, 0.0034346700000000, -0.0044691100000000 ] - [ -0.0126677900000000, -0.0262626500000000, -0.0070255500000000 ] - [ 0.0009059500000000, 0.0008073200000000, 0.0034872900000000 ] - [ 0.0000006500000000, -0.0000409000000000, 0.0006969100000000 ] - [ 0.0164346800000000, 0.0291114800000000, 0.0035935800000000 ] - [ -0.0008499400000000, 0.0000786900000000, 0.0059232200000000 ] - [ 0.0011830900000000, -0.0008869700000000, 0.0033617700000000 ] - [ 0.0002715200000000, -0.0000356400000000, 0.0005658700000000 ] - [ 0.0171521900000000, -0.0290377400000000, 0.0036328500000000 ] - [ -0.0000816200000000, 0.0000965100000000, 0.0057512900000000 ] - [ -0.0003030400000000, -0.0002282400000000, -0.0011724900000000 ] - [ 0.0037277200000000, -0.0004610300000000, -0.0043676500000000 ] - [ 0.0002434500000000, -0.0000667200000000, 0.0000519800000000 ] - [ 0.0018109200000000, 0.0001120800000000, 0.0001312100000000 ] - [ -0.0000317800000000, 0.0001493300000000, -0.0013023700000000 ] - [ 0.0040158300000000, 0.0003853400000000, -0.0045123600000000 ] - [ 0.0010196400000000, 0.0002356900000000, -0.0000960600000000 ] - [ 0.0025803800000000, 0.0000584400000000, -0.0000169800000000 ] - [ -0.0010907400000000, -0.0014640500000000, -0.0018394900000000 ] - [ -0.0005614500000000, 0.0002851400000000, -0.0014846800000000 ] - [ -0.0022230400000000, -0.0000416200000000, -0.0026191100000000 ] - [ -0.0003407200000000, -0.0000585000000000, -0.0004996500000000 ] - [ 0.0051656500000000, -0.0108822600000000, -0.0018271700000000 ] - [ 0.0093167400000000, -0.0021535900000000, -0.0044479700000000 ] - [ 0.0774683900000000, -0.0578642000000000, 0.0732286500000000 ] - [ 0.0015969100000000, -0.0014836900000000, -0.0007058800000000 ] - [ -0.0021840300000000, 0.0002503100000000, -0.0026356900000000 ] - [ -0.0003118700000000, 0.0002677300000000, -0.0005233000000000 ] - [ 0.0000063000000000, 0.0002525100000000, -0.0006466600000000 ] - [ 0.0001256600000000, 0.0000046700000000, -0.0001184500000000 ] - [ 0.0052824500000000, 0.0111776200000000, -0.0018416700000000 ] - [ 0.0094806100000000, 0.0024759600000000, -0.0044431200000000 ] - [ -0.0007571500000000, 0.0013831500000000, -0.0020520300000000 ] - [ -0.0002248600000000, -0.0003840800000000, -0.0016962000000000 ] - [ -0.0008708300000000, 0.0000924000000000, 0.0000393700000000 ] - [ -0.0005711200000000, -0.0000380600000000, 0.0000985200000000 ] - [ -0.0006391600000000, -0.0004617100000000, -0.0031121800000000 ] - [ 0.0005009500000000, -0.0001799400000000, -0.0007309900000000 ] - [ 0.0764802800000000, 0.0550059500000000, 0.0697388900000000 ] - [ 0.0017855500000000, 0.0008312300000000, -0.0015889300000000 ] - [ -0.0003117400000000, -0.0001005900000000, -0.0008348400000000 ] - [ -0.0008693400000000, -0.0005184800000000, -0.0019645800000000 ] - [ -0.0039782400000000, -0.0025852100000000, -0.0035381900000000 ] - [ 0.0007621000000000, -0.0000302800000000, -0.0013844000000000 ] - [ -0.0000269600000000, 0.0002419200000000, 0.0000463400000000 ] - [ -0.0009332200000000, 0.0003640700000000, -0.0001600900000000 ] - [ -0.0006603400000000, 0.0000500700000000, -0.0001620600000000 ] - [ -0.0015644900000000, -0.0000735100000000, -0.0003698700000000 ] - [ 0.0001214100000000, -0.0003888600000000, -0.0004485500000000 ] - [ -0.0004425500000000, 0.0000324000000000, -0.0015766200000000 ] - [ -0.0010286500000000, 0.0004976200000000, -0.0030613700000000 ] - [ 0.0001225400000000, 0.0002179300000000, -0.0006797600000000 ] - [ -0.0040268300000000, 0.0023746400000000, -0.0034997900000000 ] - [ 0.0006889500000000, -0.0001940300000000, -0.0013199900000000 ] - [ -0.0001733400000000, -0.0000716900000000, -0.0005208900000000 ] - [ -0.0000540800000000, 0.0001747800000000, -0.0000007800000000 ] - [ -0.0005051700000000, -0.0001399700000000, -0.0000289300000000 ] - [ -0.0002097600000000, -0.0000205600000000, 0.0000361200000000 ] - [ -0.0012708600000000, 0.0006418000000000, 0.0025071700000000 ] - [ -0.0005954900000000, 0.0001455900000000, 0.0007455400000000 ] - [ -0.0003937900000000, -0.0003873000000000, 0.0010829800000000 ] - [ -0.0021753600000000, 0.0003568800000000, 0.0019973100000000 ] - [ -0.0012841600000000, 0.0004915000000000, 0.0002331200000000 ] - [ -0.0005295100000000, 0.0003344000000000, 0.0001433800000000 ] - [ -0.0005707100000000, -0.0002821700000000, 0.0004260100000000 ] - [ -0.0010434200000000, 0.0001781100000000, 0.0005113800000000 ] - [ -0.0003618500000000, 0.0005969500000000, 0.0010630600000000 ] - [ -0.0021315300000000, -0.0001517100000000, 0.0019712500000000 ] - [ 0.0016875300000000, -0.0002576800000000, 0.0010158700000000 ] - [ -0.0009325900000000, 0.0042943000000000, 0.0077975000000000 ] - [ -0.0011615000000000, -0.0001547900000000, 0.0002329000000000 ] - [ -0.0004051200000000, 0.0000004000000000, 0.0001457100000000 ] - [ -0.0009308800000000, -0.0007383500000000, 0.0022956700000000 ] - [ -0.0002612300000000, -0.0002296900000000, 0.0005388400000000 ] - [ 0.0023569700000000, -0.0016981300000000, 0.0000974000000000 ] - [ 0.0804062200000000, -0.0429883300000000, -0.0510284000000000 ] - [ -0.0001196200000000, 0.0002484700000000, 0.0007094600000000 ] - [ -0.0012523300000000, 0.0012039800000000, 0.0026358200000000 ] - [ -0.0003793300000000, -0.0003701700000000, -0.0004518200000000 ] - [ -0.0008486200000000, -0.0008307300000000, -0.0003599100000000 ] - [ -0.0004766400000000, -0.0004389000000000, 0.0006929600000000 ] - [ -0.0019117000000000, -0.0014517800000000, 0.0013622900000000 ] - [ -0.0005243900000000, 0.0000786500000000, 0.0001897300000000 ] - [ -0.0023533800000000, -0.0002399300000000, 0.0009490700000000 ] - [ 0.0029806000000000, -0.0108562100000000, 0.0083327100000000 ] - [ 0.0005627000000000, 0.0061632000000000, -0.0028069300000000 ] - [ 0.0023969100000000, 0.0112176700000000, 0.0081329900000000 ] - [ -0.0000597700000000, -0.0058310100000000, -0.0029918700000000 ] - [ -0.0000505300000000, -0.0000472400000000, 0.0010793000000000 ] - [ -0.0014838000000000, 0.0009693400000000, 0.0017513000000000 ] - [ -0.0004970700000000, -0.0002083400000000, 0.0007634700000000 ] - [ -0.0016311000000000, -0.0011689900000000, 0.0026961500000000 ] - [ -0.0006060100000000, -0.0002972900000000, 0.0002539100000000 ] - [ -0.0024271700000000, 0.0000153600000000, 0.0010026600000000 ] - [ 0.0015058400000000, 0.0004358900000000, 0.0011412500000000 ] - [ -0.0011171300000000, -0.0040911100000000, 0.0078604700000000 ] - [ 0.0027295700000000, 0.0016602200000000, 0.0000258800000000 ] - [ 0.0823427800000000, 0.0452745700000000, -0.0534450700000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008570600000000, 0.0024081200000000, -0.0000835000000000 ] - [ 0.0032022500000000, -0.0040742800000000, 0.0027867100000000 ] - [ 0.0003291200000000, 0.0004416600000000, -0.0008235600000000 ] - [ 0.0007681600000000, -0.0003631400000000, 0.0009682200000000 ] - [ 0.0008570600000000, 0.0024081200000000, 0.0000835000000000 ] - [ -0.0032022500000000, -0.0040742800000000, -0.0027867100000000 ] - [ -0.0003291200000000, 0.0004416600000000, 0.0008235600000000 ] - [ -0.0007681600000000, -0.0003631400000000, -0.0009682200000000 ] - [ 0.0015728500000000, -0.0007610600000000, -0.0007890900000000 ] - [ -0.0013297200000000, 0.0007684100000000, -0.0000102900000000 ] - [ -0.0022722000000000, -0.0046928700000000, 0.0018321800000000 ] - [ 0.0001876600000000, 0.0022421700000000, -0.0004537600000000 ] - [ -0.0015728500000000, -0.0007610600000000, 0.0007890900000000 ] - [ 0.0013297200000000, 0.0007684100000000, 0.0000102900000000 ] - [ 0.0022722000000000, -0.0046928700000000, -0.0018321800000000 ] - [ -0.0001876600000000, 0.0022421700000000, 0.0004537600000000 ] - [ 0.0000000000000000, -0.3291925300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0125919300000000, 0.0000000000000000 ] - [ 0.0006131500000000, -0.0015095900000000, -0.0010459200000000 ] - [ -0.0003835800000000, 0.0014603200000000, 0.0004096800000000 ] - [ -0.0049334300000000, 0.0003283300000000, -0.0054247600000000 ] - [ 0.0031124100000000, 0.0012425500000000, 0.0033075900000000 ] - [ 0.0000000000000000, 0.0042300100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0038317900000000, 0.0000000000000000 ] - [ 0.0049334300000000, 0.0003283300000000, 0.0054247600000000 ] - [ -0.0031124100000000, 0.0012425500000000, -0.0033075900000000 ] - [ -0.0006131500000000, -0.0015095900000000, 0.0010459200000000 ] - [ 0.0003835800000000, 0.0014603200000000, -0.0004096800000000 ] - [ 0.0000000000000000, 0.0002941700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0002834900000000, 0.0000000000000000 ] - [ -0.0012986400000000, 0.0163914200000000, 0.0085937400000000 ] - [ 0.0091666800000000, 0.0339101900000000, -0.0213585500000000 ] - [ 0.0005941300000000, 0.0034998000000000, 0.0002645200000000 ] - [ -0.0023473400000000, -0.0038289800000000, -0.0000408400000000 ] - [ 0.0000000000000000, -0.0040663000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0046065000000000, 0.0000000000000000 ] - [ -0.0005941300000000, 0.0034998000000000, -0.0002645200000000 ] - [ 0.0023473400000000, -0.0038289800000000, 0.0000408400000000 ] - [ 0.0012986400000000, 0.0163914200000000, -0.0085937400000000 ] - [ -0.0091666800000000, 0.0339101900000000, 0.0213585500000000 ] - [ 0.0010714500000000, -0.0034764000000000, -0.0006189400000000 ] - [ -0.0003360500000000, 0.0026726600000000, -0.0001983900000000 ] - [ 0.0213203000000000, 0.0256086500000000, 0.0115467700000000 ] - [ -0.0055018100000000, 0.0117856800000000, -0.0001183600000000 ] - [ -0.0010714500000000, -0.0034764000000000, 0.0006189400000000 ] - [ 0.0003360500000000, 0.0026726600000000, 0.0001983900000000 ] - [ -0.0213203000000000, 0.0256086500000000, -0.0115467700000000 ] - [ 0.0055018100000000, 0.0117856800000000, 0.0001183600000000 ] - [ -0.0029120100000000, 0.0000927700000000, 0.0027804700000000 ] - [ 0.0038990700000000, -0.0000357700000000, -0.0040878900000000 ] - [ -0.0008675200000000, 0.0010536300000000, -0.0001385000000000 ] - [ 0.0011750400000000, -0.0010412100000000, 0.0010013200000000 ] - [ 0.0029120100000000, 0.0000927700000000, -0.0027804700000000 ] - [ -0.0038990700000000, -0.0000357700000000, 0.0040878900000000 ] - [ 0.0008675200000000, 0.0010536300000000, 0.0001385000000000 ] - [ -0.0011750400000000, -0.0010412100000000, -0.0010013200000000 ] - [ -0.0011161200000000, -0.0021330400000000, -0.0011791000000000 ] - [ 0.0005181900000000, 0.0012393900000000, 0.0011585000000000 ] - [ 0.0016016600000000, 0.0019802100000000, 0.0007293100000000 ] - [ -0.0008649500000000, -0.0012421200000000, -0.0005862500000000 ] - [ -0.0002741500000000, -0.0064695400000000, -0.0031213500000000 ] - [ 0.0058804800000000, -0.0123243200000000, 0.0023653700000000 ] - [ -0.0576071900000000, 0.0721590900000000, -0.0595540100000000 ] - [ 0.0013524300000000, -0.0080075700000000, 0.0002493600000000 ] - [ -0.0016016600000000, 0.0019802100000000, -0.0007293100000000 ] - [ 0.0008649500000000, -0.0012421200000000, 0.0005862500000000 ] - [ 0.0012361000000000, 0.0010968500000000, -0.0008419000000000 ] - [ -0.0000180300000000, -0.0007427300000000, 0.0001151800000000 ] - [ 0.0002741500000000, -0.0064695400000000, 0.0031213500000000 ] - [ -0.0058804800000000, -0.0123243200000000, -0.0023653700000000 ] - [ 0.0011161200000000, -0.0021330400000000, 0.0011791000000000 ] - [ -0.0005181900000000, 0.0012393900000000, -0.0011585000000000 ] - [ 0.0002178500000000, 0.0004477200000000, -0.0001030900000000 ] - [ -0.0003160000000000, -0.0006327100000000, -0.0000476600000000 ] - [ 0.0008803300000000, 0.0012212700000000, 0.0026881800000000 ] - [ -0.0002593700000000, -0.0014699500000000, -0.0013336900000000 ] - [ 0.0576071900000000, 0.0721590900000000, 0.0595540100000000 ] - [ -0.0013524300000000, -0.0080075700000000, -0.0002493600000000 ] - [ -0.0006471100000000, -0.0026434900000000, 0.0003576100000000 ] - [ -0.0000930200000000, 0.0024566000000000, -0.0005137500000000 ] - [ -0.0087991300000000, -0.0027105400000000, -0.0037601600000000 ] - [ 0.0041998700000000, -0.0025974000000000, 0.0017989900000000 ] - [ 0.0005487200000000, -0.0005544200000000, 0.0004024100000000 ] - [ 0.0000703500000000, 0.0010059700000000, -0.0007958600000000 ] - [ -0.0005487200000000, -0.0005544200000000, -0.0004024100000000 ] - [ -0.0000703500000000, 0.0010059700000000, 0.0007958600000000 ] - [ 0.0006471100000000, -0.0026434900000000, -0.0003576100000000 ] - [ 0.0000930200000000, 0.0024566000000000, 0.0005137500000000 ] - [ -0.0008803300000000, 0.0012212700000000, -0.0026881800000000 ] - [ 0.0002593700000000, -0.0014699500000000, 0.0013336900000000 ] - [ 0.0087991300000000, -0.0027105400000000, 0.0037601600000000 ] - [ -0.0041998700000000, -0.0025974000000000, -0.0017989900000000 ] - [ -0.0012361000000000, 0.0010968500000000, 0.0008419000000000 ] - [ 0.0000180300000000, -0.0007427300000000, -0.0001151800000000 ] - [ -0.0002178500000000, 0.0004477200000000, 0.0001030900000000 ] - [ 0.0003160000000000, -0.0006327100000000, 0.0000476600000000 ] - [ -0.0000932700000000, 0.0031374800000000, 0.0006262700000000 ] - [ -0.0005875900000000, -0.0028300800000000, -0.0004511600000000 ] - [ -0.0016106700000000, -0.0011258300000000, 0.0009501300000000 ] - [ 0.0026758300000000, 0.0003467700000000, -0.0014188300000000 ] - [ -0.0007638100000000, 0.0012406000000000, 0.0001547200000000 ] - [ 0.0001456800000000, -0.0006681200000000, -0.0001940300000000 ] - [ -0.0000952100000000, -0.0008538300000000, 0.0002638000000000 ] - [ 0.0002219300000000, -0.0000448200000000, 0.0008055300000000 ] - [ 0.0016106700000000, -0.0011258300000000, -0.0009501300000000 ] - [ -0.0026758300000000, 0.0003467700000000, 0.0014188300000000 ] - [ -0.0020767500000000, -0.0016500000000000, 0.0039026300000000 ] - [ 0.0032541800000000, -0.0021543300000000, -0.0073558800000000 ] - [ 0.0007638100000000, 0.0012406000000000, -0.0001547200000000 ] - [ -0.0001456800000000, -0.0006681200000000, 0.0001940300000000 ] - [ 0.0000932700000000, 0.0031374800000000, -0.0006262700000000 ] - [ 0.0005875900000000, -0.0028300800000000, 0.0004511600000000 ] - [ 0.0006063000000000, -0.0077152300000000, -0.0012722800000000 ] - [ -0.0494585200000000, 0.0632444400000000, 0.0467967600000000 ] - [ 0.0004857800000000, -0.0014022700000000, -0.0010425900000000 ] - [ 0.0001427300000000, 0.0018547600000000, 0.0014920300000000 ] - [ 0.0000952100000000, -0.0008538300000000, -0.0002638000000000 ] - [ -0.0002219300000000, -0.0000448200000000, -0.0008055300000000 ] - [ 0.0006739700000000, 0.0013006900000000, -0.0009410400000000 ] - [ -0.0012040100000000, -0.0024005500000000, 0.0009964700000000 ] - [ 0.0005058000000000, -0.0010840500000000, -0.0000004100000000 ] - [ -0.0017129900000000, 0.0009682800000000, -0.0009458400000000 ] - [ -0.0056017200000000, -0.0109401100000000, 0.0059072100000000 ] - [ 0.0027984300000000, -0.0058838700000000, 0.0006199100000000 ] - [ 0.0056017200000000, -0.0109401100000000, -0.0059072100000000 ] - [ -0.0027984300000000, -0.0058838700000000, -0.0006199100000000 ] - [ -0.0006739700000000, 0.0013006900000000, 0.0009410400000000 ] - [ 0.0012040100000000, -0.0024005500000000, -0.0009964700000000 ] - [ -0.0004857800000000, -0.0014022700000000, 0.0010425900000000 ] - [ -0.0001427300000000, 0.0018547600000000, -0.0014920300000000 ] - [ -0.0005058000000000, -0.0010840500000000, 0.0000004100000000 ] - [ 0.0017129900000000, 0.0009682800000000, 0.0009458400000000 ] - [ 0.0020767500000000, -0.0016500000000000, -0.0039026300000000 ] - [ -0.0032541800000000, -0.0021543300000000, 0.0073558800000000 ] - [ -0.0006063000000000, -0.0077152300000000, 0.0012722800000000 ] - [ 0.0494585200000000, 0.0632444400000000, -0.0467967600000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006106800000000, -0.0024107800000000, 0.0001749200000000 ] - [ -0.0034777400000000, 0.0040500500000000, -0.0027111400000000 ] - [ -0.0000336400000000, -0.0004642200000000, 0.0007570600000000 ] - [ -0.0004783200000000, 0.0003324900000000, -0.0010385000000000 ] - [ -0.0006106800000000, -0.0024107800000000, -0.0001749200000000 ] - [ 0.0034777400000000, 0.0040500500000000, 0.0027111400000000 ] - [ 0.0000336400000000, -0.0004642200000000, -0.0007570600000000 ] - [ 0.0004783200000000, 0.0003324900000000, 0.0010385000000000 ] - [ -0.0018380700000000, 0.0007677800000000, 0.0008744600000000 ] - [ 0.0010720400000000, -0.0007753100000000, 0.0001002300000000 ] - [ 0.0025544000000000, 0.0046906100000000, -0.0018703900000000 ] - [ 0.0001076700000000, -0.0022737000000000, 0.0003774900000000 ] - [ 0.0018380700000000, 0.0007677800000000, -0.0008744600000000 ] - [ -0.0010720400000000, -0.0007753100000000, -0.0001002300000000 ] - [ -0.0025544000000000, 0.0046906100000000, 0.0018703900000000 ] - [ -0.0001076700000000, -0.0022737000000000, -0.0003774900000000 ] - [ 0.0000000000000000, 0.3284396600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0125173300000000, 0.0000000000000000 ] - [ -0.0011368700000000, 0.0017030900000000, 0.0011964900000000 ] - [ -0.0001419800000000, -0.0012785000000000, -0.0002540000000000 ] - [ 0.0053754300000000, -0.0002976400000000, 0.0057899000000000 ] - [ -0.0026510500000000, -0.0012446300000000, -0.0029278300000000 ] - [ 0.0000000000000000, -0.0039334500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0041055600000000, 0.0000000000000000 ] - [ -0.0053754300000000, -0.0002976400000000, -0.0057899000000000 ] - [ 0.0026510500000000, -0.0012446300000000, 0.0029278300000000 ] - [ 0.0011368700000000, 0.0017030900000000, -0.0011964900000000 ] - [ 0.0001419800000000, -0.0012785000000000, 0.0002540000000000 ] - [ 0.0000000000000000, -0.0001899000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001965700000000, 0.0000000000000000 ] - [ 0.0007500600000000, -0.0163094200000000, -0.0085348900000000 ] - [ -0.0094306200000000, -0.0336753900000000, 0.0212600400000000 ] - [ -0.0001505600000000, -0.0035021200000000, 0.0000993900000000 ] - [ 0.0028077300000000, 0.0038440800000000, 0.0004014800000000 ] - [ 0.0000000000000000, 0.0043825300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0043429300000000, 0.0000000000000000 ] - [ 0.0001505600000000, -0.0035021200000000, -0.0000993900000000 ] - [ -0.0028077300000000, 0.0038440800000000, -0.0004014800000000 ] - [ -0.0007500600000000, -0.0163094200000000, 0.0085348900000000 ] - [ 0.0094306200000000, -0.0336753900000000, -0.0212600400000000 ] - [ -0.0013426400000000, 0.0034017600000000, 0.0007462700000000 ] - [ 0.0000638100000000, -0.0027452900000000, 0.0003297100000000 ] - [ -0.0223602700000000, -0.0254385800000000, -0.0116625700000000 ] - [ 0.0046776300000000, -0.0115685500000000, 0.0003231700000000 ] - [ 0.0013426400000000, 0.0034017600000000, -0.0007462700000000 ] - [ -0.0000638100000000, -0.0027452900000000, -0.0003297100000000 ] - [ 0.0223602700000000, -0.0254385800000000, 0.0116625700000000 ] - [ -0.0046776300000000, -0.0115685500000000, -0.0003231700000000 ] - [ 0.0026574000000000, -0.0001610500000000, -0.0026681800000000 ] - [ -0.0041721400000000, -0.0000513000000000, 0.0042339100000000 ] - [ 0.0000987000000000, -0.0008805200000000, 0.0002879600000000 ] - [ -0.0019572100000000, 0.0012114400000000, -0.0008535900000000 ] - [ -0.0026574000000000, -0.0001610500000000, 0.0026681800000000 ] - [ 0.0041721400000000, -0.0000513000000000, -0.0042339100000000 ] - [ -0.0000987000000000, -0.0008805200000000, -0.0002879600000000 ] - [ 0.0019572100000000, 0.0012114400000000, 0.0008535900000000 ] - [ 0.0007815500000000, 0.0020481400000000, 0.0013975600000000 ] - [ -0.0008501300000000, -0.0013068600000000, -0.0009404100000000 ] - [ -0.0016395200000000, -0.0017799900000000, -0.0007119200000000 ] - [ 0.0008265800000000, 0.0014479600000000, 0.0006038200000000 ] - [ 0.0001756100000000, 0.0067985600000000, 0.0031456700000000 ] - [ -0.0060101100000000, 0.0125894800000000, -0.0023411400000000 ] - [ 0.0593118100000000, -0.0735046100000000, 0.0626521600000000 ] - [ -0.0015399100000000, 0.0073456200000000, 0.0006447300000000 ] - [ 0.0016395200000000, -0.0017799900000000, 0.0007119200000000 ] - [ -0.0008265800000000, 0.0014479600000000, -0.0006038200000000 ] - [ -0.0010458000000000, -0.0009184800000000, 0.0007235200000000 ] - [ 0.0002069500000000, 0.0009245200000000, -0.0002309900000000 ] - [ -0.0001756100000000, 0.0067985600000000, -0.0031456700000000 ] - [ 0.0060101100000000, 0.0125894800000000, 0.0023411400000000 ] - [ -0.0007815500000000, 0.0020481400000000, -0.0013975600000000 ] - [ 0.0008501300000000, -0.0013068600000000, 0.0009404100000000 ] - [ -0.0005840600000000, -0.0005020300000000, 0.0001701500000000 ] - [ -0.0000536700000000, 0.0005939300000000, 0.0001216300000000 ] - [ -0.0004970500000000, -0.0011926300000000, -0.0027440000000000 ] - [ 0.0006354300000000, 0.0015105800000000, 0.0012723400000000 ] - [ -0.0593118100000000, -0.0735046100000000, -0.0626521600000000 ] - [ 0.0015399100000000, 0.0073456200000000, -0.0006447300000000 ] - [ 0.0001969500000000, 0.0021522400000000, -0.0007523900000000 ] - [ -0.0003472700000000, -0.0029388100000000, 0.0001255800000000 ] - [ 0.0088326100000000, 0.0024409000000000, 0.0037280800000000 ] - [ -0.0041098900000000, 0.0023772700000000, -0.0018606300000000 ] - [ 0.0000815400000000, 0.0008472500000000, -0.0001882800000000 ] - [ 0.0005628700000000, -0.0007133500000000, 0.0010090200000000 ] - [ -0.0000815400000000, 0.0008472500000000, 0.0001882800000000 ] - [ -0.0005628700000000, -0.0007133500000000, -0.0010090200000000 ] - [ -0.0001969500000000, 0.0021522400000000, 0.0007523900000000 ] - [ 0.0003472700000000, -0.0029388100000000, -0.0001255800000000 ] - [ 0.0004970500000000, -0.0011926300000000, 0.0027440000000000 ] - [ -0.0006354300000000, 0.0015105800000000, -0.0012723400000000 ] - [ -0.0088326100000000, 0.0024409000000000, -0.0037280800000000 ] - [ 0.0041098900000000, 0.0023772700000000, 0.0018606300000000 ] - [ 0.0010458000000000, -0.0009184800000000, -0.0007235200000000 ] - [ -0.0002069500000000, 0.0009245200000000, 0.0002309900000000 ] - [ 0.0005840600000000, -0.0005020300000000, -0.0001701500000000 ] - [ 0.0000536700000000, 0.0005939300000000, -0.0001216300000000 ] - [ -0.0002385600000000, -0.0032335900000000, -0.0004165100000000 ] - [ 0.0002506500000000, 0.0027612200000000, 0.0006728700000000 ] - [ 0.0015869300000000, 0.0013372500000000, -0.0009400600000000 ] - [ -0.0027222700000000, -0.0001332100000000, 0.0014505200000000 ] - [ 0.0006387700000000, -0.0009098700000000, -0.0001592600000000 ] - [ -0.0002706900000000, 0.0010031400000000, 0.0001883300000000 ] - [ -0.0000872900000000, 0.0001987500000000, 0.0006196100000000 ] - [ -0.0004068200000000, -0.0006043600000000, 0.0000794900000000 ] - [ -0.0015869300000000, 0.0013372500000000, 0.0009400600000000 ] - [ 0.0027222700000000, -0.0001332100000000, -0.0014505200000000 ] - [ 0.0022787900000000, 0.0018322200000000, -0.0040447600000000 ] - [ -0.0030420600000000, 0.0023751800000000, 0.0072768300000000 ] - [ -0.0006387700000000, -0.0009098700000000, 0.0001592600000000 ] - [ 0.0002706900000000, 0.0010031400000000, -0.0001883300000000 ] - [ 0.0002385600000000, -0.0032335900000000, 0.0004165100000000 ] - [ -0.0002506500000000, 0.0027612200000000, -0.0006728700000000 ] - [ -0.0009779800000000, 0.0076872100000000, 0.0013400200000000 ] - [ 0.0471041900000000, -0.0623034500000000, -0.0448610700000000 ] - [ -0.0001111300000000, 0.0014455700000000, 0.0009927600000000 ] - [ 0.0002333200000000, -0.0018155600000000, -0.0015525600000000 ] - [ 0.0000872900000000, 0.0001987500000000, -0.0006196100000000 ] - [ 0.0004068200000000, -0.0006043600000000, -0.0000794900000000 ] - [ -0.0011198400000000, -0.0018031000000000, 0.0005550600000000 ] - [ 0.0007567900000000, 0.0019263000000000, -0.0013941100000000 ] - [ -0.0004430400000000, 0.0008680400000000, -0.0000609800000000 ] - [ 0.0017914400000000, -0.0011878700000000, 0.0008845900000000 ] - [ 0.0063202800000000, 0.0113283400000000, -0.0056920000000000 ] - [ -0.0021540000000000, 0.0062100100000000, -0.0004434900000000 ] - [ -0.0063202800000000, 0.0113283400000000, 0.0056920000000000 ] - [ 0.0021540000000000, 0.0062100100000000, 0.0004434900000000 ] - [ 0.0011198400000000, -0.0018031000000000, -0.0005550600000000 ] - [ -0.0007567900000000, 0.0019263000000000, 0.0013941100000000 ] - [ 0.0001111300000000, 0.0014455700000000, -0.0009927600000000 ] - [ -0.0002333200000000, -0.0018155600000000, 0.0015525600000000 ] - [ 0.0004430400000000, 0.0008680400000000, 0.0000609800000000 ] - [ -0.0017914400000000, -0.0011878700000000, -0.0008845900000000 ] - [ -0.0022787900000000, 0.0018322200000000, 0.0040447600000000 ] - [ 0.0030420600000000, 0.0023751800000000, -0.0072768300000000 ] - [ 0.0009779800000000, 0.0076872100000000, -0.0013400200000000 ] - [ -0.0471041900000000, -0.0623034500000000, 0.0448610700000000 ]- atom: 17 displacement: [ -0.0066066504307377, 0.0000000000000000, 0.0075068082489187 ] forces: - [ -0.0001748000000000, -0.0000064400000000, -0.0004168000000000 ] - [ -0.0033911100000000, -0.0008250000000000, -0.0048053200000000 ] - [ 0.0003368000000000, -0.0002260300000000, 0.0002924200000000 ] - [ 0.0007065600000000, 0.0002562900000000, 0.0010292000000000 ] - [ 0.0000825700000000, 0.0000018300000000, -0.0005030900000000 ] - [ -0.0031165500000000, 0.0008226200000000, -0.0049074000000000 ] - [ 0.0000421600000000, 0.0001986100000000, 0.0003605800000000 ] - [ 0.0004142300000000, -0.0002815500000000, 0.0010993100000000 ] - [ -0.0014358700000000, -0.0005899000000000, -0.0000004900000000 ] - [ -0.0011651300000000, 0.0005267500000000, 0.0000804300000000 ] - [ 0.0000775900000000, 0.0030541700000000, 0.0093533300000000 ] - [ 0.0003583800000000, -0.0007977100000000, 0.0003785100000000 ] - [ -0.0011717100000000, 0.0005837200000000, -0.0000791600000000 ] - [ -0.0009104600000000, -0.0005315400000000, -0.0000022500000000 ] - [ -0.0002011500000000, -0.0030945300000000, 0.0095120600000000 ] - [ 0.0000686700000000, 0.0007680500000000, 0.0004459500000000 ] - [ 0.1952613800000000, -0.0054753000000000, -0.2505135300000000 ] - [ 0.0036757500000000, 0.0000392700000000, -0.0035007600000000 ] - [ -0.0011539500000000, -0.0002490500000000, 0.0012211900000000 ] - [ -0.0005291900000000, 0.0002286200000000, 0.0005105900000000 ] - [ 0.0015033800000000, 0.0003254900000000, -0.0000008100000000 ] - [ 0.0012943400000000, -0.0000619200000000, -0.0003422000000000 ] - [ 0.0005901900000000, 0.0001450900000000, -0.0001299700000000 ] - [ 0.0019395000000000, 0.0001400600000000, -0.0008719600000000 ] - [ 0.0010757300000000, -0.0003129000000000, -0.0003665300000000 ] - [ 0.0008527200000000, 0.0000611700000000, -0.0007122400000000 ] - [ -0.0006309100000000, 0.0004380100000000, 0.0010644000000000 ] - [ -0.0000040200000000, -0.0000452500000000, 0.0003548900000000 ] - [ -0.0007025200000000, 0.0000460400000000, 0.0003973000000000 ] - [ -0.0008114400000000, 0.0000465500000000, 0.0003037300000000 ] - [ 0.0043099600000000, 0.0073063500000000, 0.0020378400000000 ] - [ 0.0088040900000000, -0.0410634700000000, 0.0109331000000000 ] - [ -0.0011793100000000, -0.0002403400000000, 0.0009926900000000 ] - [ -0.0060855400000000, -0.0002126900000000, 0.0043090600000000 ] - [ -0.0030014300000000, 0.0001353800000000, 0.0042120800000000 ] - [ -0.0033316800000000, 0.0001405600000000, 0.0015046200000000 ] - [ -0.0016201400000000, 0.0002380200000000, 0.0006240000000000 ] - [ -0.0065285300000000, 0.0002436500000000, 0.0039459300000000 ] - [ 0.0049017700000000, -0.0071419600000000, 0.0018870100000000 ] - [ 0.0092273400000000, 0.0413270900000000, 0.0108160900000000 ] - [ 0.0006975900000000, -0.0003166800000000, 0.0000392600000000 ] - [ 0.0000960800000000, 0.0000997600000000, 0.0000611800000000 ] - [ 0.0001795700000000, 0.0017716200000000, -0.0142041000000000 ] - [ 0.0022760500000000, -0.0030611100000000, -0.0112714800000000 ] - [ 0.0009580000000000, 0.0002406700000000, -0.0000843600000000 ] - [ 0.0003623100000000, -0.0001755300000000, -0.0000662100000000 ] - [ 0.0008117400000000, -0.0014731000000000, -0.0142386100000000 ] - [ 0.0030459500000000, 0.0032363900000000, -0.0114412600000000 ] - [ -0.0012962700000000, 0.0005895600000000, 0.0013252400000000 ] - [ -0.0059302000000000, -0.0000361000000000, 0.0058045800000000 ] - [ -0.0008494100000000, 0.0001528500000000, 0.0001767700000000 ] - [ -0.0024624900000000, 0.0002568400000000, 0.0001163400000000 ] - [ -0.0010266200000000, -0.0006749700000000, 0.0011963200000000 ] - [ -0.0056528000000000, -0.0000328300000000, 0.0056636800000000 ] - [ -0.0000771700000000, 0.0000167300000000, 0.0000261900000000 ] - [ -0.0016923800000000, -0.0000858700000000, -0.0000363900000000 ] - [ -0.0004180000000000, -0.0000583300000000, 0.0001441500000000 ] - [ -0.0005465200000000, -0.0002765900000000, 0.0007411700000000 ] - [ -0.0005445400000000, -0.0003295400000000, 0.0001751500000000 ] - [ -0.0002023100000000, 0.0001474200000000, 0.0000770700000000 ] - [ -0.0028950900000000, -0.0001880300000000, 0.0019789300000000 ] - [ -0.0117400300000000, 0.0082994100000000, 0.0075642600000000 ] - [ 0.0008048900000000, -0.0066357400000000, 0.0330512800000000 ] - [ -0.0016796100000000, -0.0004007500000000, 0.0029353200000000 ] - [ -0.0005196600000000, 0.0005368500000000, 0.0001434400000000 ] - [ -0.0001736800000000, 0.0000600300000000, 0.0000474400000000 ] - [ -0.0005121400000000, -0.0000396300000000, -0.0010723500000000 ] - [ -0.0000865000000000, 0.0001938600000000, -0.0002977000000000 ] - [ -0.0027807900000000, 0.0004722900000000, 0.0019720600000000 ] - [ -0.0116117200000000, -0.0079781600000000, 0.0075704700000000 ] - [ -0.0000819700000000, -0.0000245000000000, -0.0000652500000000 ] - [ -0.0002128700000000, 0.0001983400000000, 0.0005330400000000 ] - [ 0.0001670400000000, -0.0002810900000000, -0.0003065100000000 ] - [ 0.0000914600000000, -0.0000251300000000, -0.0001900500000000 ] - [ -0.0006427700000000, 0.0003819800000000, 0.0004304500000000 ] - [ -0.0004253300000000, -0.0001079200000000, 0.0002640900000000 ] - [ 0.0013126400000000, 0.0065082400000000, 0.0329120500000000 ] - [ -0.0014912700000000, -0.0002485900000000, 0.0020527300000000 ] - [ -0.0005140900000000, -0.0003817500000000, -0.0001200400000000 ] - [ -0.0014328800000000, -0.0004272100000000, -0.0002035200000000 ] - [ -0.0041846700000000, -0.0023547200000000, 0.0009618200000000 ] - [ -0.0014541300000000, 0.0005681200000000, 0.0017445200000000 ] - [ 0.0004472500000000, 0.0001543300000000, -0.0000101900000000 ] - [ 0.0010006200000000, 0.0000266000000000, -0.0000742300000000 ] - [ -0.0001918300000000, 0.0001340800000000, -0.0002156600000000 ] - [ 0.0003609900000000, 0.0002622200000000, -0.0002794400000000 ] - [ -0.0000717800000000, -0.0001169700000000, 0.0002634700000000 ] - [ -0.0009939100000000, -0.0000674500000000, 0.0001764400000000 ] - [ -0.0010229500000000, -0.0003415700000000, 0.0004775300000000 ] - [ -0.0008057900000000, 0.0001502200000000, 0.0003166400000000 ] - [ -0.0042259900000000, 0.0021118400000000, 0.0010184600000000 ] - [ -0.0015340000000000, -0.0007885500000000, 0.0018181200000000 ] - [ -0.0007031000000000, 0.0002196400000000, -0.0009533800000000 ] - [ -0.0002709900000000, -0.0000136800000000, -0.0001708300000000 ] - [ 0.0005308600000000, 0.0002346300000000, -0.0003740100000000 ] - [ 0.0004553100000000, -0.0000195500000000, -0.0002578300000000 ] - [ 0.0020548300000000, -0.0008533100000000, -0.0024681000000000 ] - [ 0.0006207000000000, -0.0000856900000000, -0.0005280300000000 ] - [ 0.0009947400000000, 0.0006345100000000, -0.0005348200000000 ] - [ 0.0038044800000000, -0.0001478100000000, -0.0024470000000000 ] - [ 0.0009855500000000, -0.0002133200000000, -0.0005295000000000 ] - [ 0.0002871200000000, 0.0000490000000000, -0.0002143900000000 ] - [ 0.0002036200000000, -0.0003641300000000, 0.0002892900000000 ] - [ 0.0007128800000000, -0.0006968700000000, 0.0001756500000000 ] - [ 0.0010194800000000, -0.0004215600000000, -0.0005654200000000 ] - [ 0.0038467500000000, 0.0003492400000000, -0.0024859000000000 ] - [ 0.0004182300000000, 0.0012138100000000, -0.0010056100000000 ] - [ 0.0028665700000000, -0.0047947500000000, -0.0088691200000000 ] - [ 0.0011082000000000, 0.0005503000000000, -0.0005267300000000 ] - [ 0.0004056200000000, 0.0002880900000000, -0.0002112300000000 ] - [ 0.0024012800000000, 0.0007660400000000, -0.0026817400000000 ] - [ 0.0009562300000000, 0.0000096500000000, -0.0007392800000000 ] - [ -0.0014150500000000, 0.0018499200000000, 0.0011811400000000 ] - [ -0.0951299800000000, 0.0627962700000000, 0.0865735400000000 ] - [ 0.0008774500000000, -0.0004580600000000, -0.0010033700000000 ] - [ 0.0028390800000000, -0.0010557000000000, -0.0037187800000000 ] - [ 0.0003895300000000, -0.0002955400000000, -0.0005880300000000 ] - [ 0.0008994700000000, 0.0000370700000000, -0.0007008300000000 ] - [ 0.0011631700000000, -0.0002785300000000, -0.0013115600000000 ] - [ 0.0023200800000000, 0.0016303200000000, -0.0022714900000000 ] - [ 0.0005378700000000, -0.0001721200000000, -0.0000910200000000 ] - [ 0.0026159900000000, -0.0001505500000000, -0.0004303600000000 ] - [ 0.0005555900000000, 0.0077415400000000, 0.0043644500000000 ] - [ 0.0008291800000000, -0.0088342800000000, 0.0063817100000000 ] - [ -0.0000485000000000, -0.0073716400000000, 0.0040865800000000 ] - [ 0.0002039400000000, 0.0091702200000000, 0.0061934100000000 ] - [ 0.0016009500000000, -0.0002067800000000, -0.0009278500000000 ] - [ 0.0027630200000000, -0.0021260700000000, -0.0018858200000000 ] - [ 0.0004967300000000, 0.0005049300000000, -0.0009534200000000 ] - [ 0.0024604100000000, 0.0010850500000000, -0.0036643200000000 ] - [ 0.0004582200000000, -0.0000463900000000, -0.0000183600000000 ] - [ 0.0025383000000000, -0.0000744400000000, -0.0003543700000000 ] - [ 0.0002439200000000, -0.0010270900000000, -0.0008846400000000 ] - [ 0.0026769800000000, 0.0049841500000000, -0.0088031000000000 ] - [ -0.0010389600000000, -0.0018803900000000, 0.0011060600000000 ] - [ -0.0905413900000000, -0.0580857800000000, 0.0827022900000000 ]- atom: 19 displacement: [ 0.0099999989202427, 0.0000000000000000, 0.0000046470576681 ] forces: - [ 0.0001152800000000, 0.0000241200000000, -0.0004194900000000 ] - [ 0.0016629100000000, -0.0001151600000000, -0.0016031600000000 ] - [ -0.0022425500000000, -0.0000387100000000, 0.0001208000000000 ] - [ -0.0037642600000000, 0.0000188500000000, 0.0001753100000000 ] - [ 0.0003021200000000, -0.0005179800000000, 0.0003362800000000 ] - [ 0.0044997400000000, 0.0019351500000000, 0.0010034000000000 ] - [ 0.0001665600000000, 0.0000314600000000, -0.0006061500000000 ] - [ -0.0002788800000000, -0.0001889700000000, -0.0006221200000000 ] - [ 0.0011952400000000, -0.0020988800000000, 0.0034549400000000 ] - [ 0.0000658200000000, 0.0007741200000000, 0.0006703500000000 ] - [ 0.0010887400000000, 0.0000788200000000, -0.0000815000000000 ] - [ 0.0005048700000000, -0.0000737300000000, -0.0000906000000000 ] - [ 0.0049457100000000, 0.0036832700000000, -0.0011481000000000 ] - [ 0.0008990100000000, -0.0014205500000000, -0.0002139100000000 ] - [ -0.0014841800000000, 0.0002288200000000, 0.0023124200000000 ] - [ -0.0004463100000000, -0.0001115400000000, 0.0002130100000000 ] - [ 0.0017017300000000, 0.0009263600000000, 0.0003010400000000 ] - [ 0.0005749100000000, -0.0000764300000000, 0.0001484400000000 ] - [ -0.3251698300000000, -0.0259689300000000, -0.0009223200000000 ] - [ -0.0018989300000000, -0.0004833300000000, 0.0004445300000000 ] - [ 0.0018596600000000, -0.0003041100000000, -0.0043246100000000 ] - [ 0.0001448400000000, 0.0003034200000000, -0.0012228500000000 ] - [ 0.0003220900000000, -0.0020098800000000, -0.0027510800000000 ] - [ 0.0023403100000000, 0.0038781700000000, -0.0049378200000000 ] - [ 0.0107282700000000, -0.0102936000000000, -0.0010580700000000 ] - [ 0.0007675300000000, 0.0021770700000000, -0.0002859200000000 ] - [ -0.0090529000000000, 0.0033950500000000, -0.0208598000000000 ] - [ -0.0006634500000000, -0.0011033200000000, -0.0011223100000000 ] - [ -0.0128342900000000, 0.0093671100000000, 0.0006211100000000 ] - [ -0.0139430900000000, -0.0009787600000000, -0.0061517800000000 ] - [ 0.0016219700000000, 0.0001509100000000, -0.0003149200000000 ] - [ 0.0016195300000000, -0.0000640600000000, -0.0004395900000000 ] - [ 0.0006469300000000, -0.0001844500000000, 0.0012934500000000 ] - [ 0.0023789900000000, -0.0004065200000000, 0.0056051600000000 ] - [ 0.0018890800000000, 0.0014347900000000, 0.0047821800000000 ] - [ 0.0006564500000000, -0.0006540400000000, 0.0011664400000000 ] - [ -0.0001557800000000, 0.0006571900000000, 0.0000812400000000 ] - [ 0.0091449800000000, -0.0039205800000000, 0.0081104900000000 ] - [ 0.0005795600000000, -0.0006248600000000, 0.0011132800000000 ] - [ 0.0005826700000000, 0.0005169900000000, 0.0012208500000000 ] - [ -0.0053103400000000, 0.0006055500000000, -0.0230063500000000 ] - [ -0.0010503600000000, -0.0004807500000000, 0.0000705800000000 ] - [ 0.0034477900000000, -0.0003032900000000, 0.0014789500000000 ] - [ 0.0005989100000000, 0.0001797500000000, 0.0005758500000000 ] - [ 0.0023638400000000, 0.0011330700000000, -0.0044857200000000 ] - [ 0.0006282800000000, -0.0002202100000000, -0.0012867800000000 ] - [ 0.0009993800000000, 0.0001092000000000, -0.0006353500000000 ] - [ 0.0007142100000000, -0.0001352900000000, -0.0004527400000000 ] - [ 0.0010255500000000, 0.0004918500000000, 0.0001787500000000 ] - [ 0.0020247000000000, 0.0002055200000000, 0.0020672800000000 ] - [ -0.0001829600000000, 0.0002676000000000, 0.0001706200000000 ] - [ 0.0297678600000000, -0.0385513100000000, -0.0202341300000000 ] - [ -0.0006773900000000, 0.0017564100000000, 0.0018647500000000 ] - [ -0.0000699100000000, -0.0032557200000000, 0.0039309300000000 ] - [ 0.0006408900000000, -0.0007898400000000, 0.0000137400000000 ] - [ -0.0001618300000000, 0.0038572400000000, 0.0287064600000000 ] - [ -0.0005783600000000, 0.0038310200000000, 0.0017796000000000 ] - [ -0.0012279100000000, -0.0021804100000000, 0.0011062600000000 ] - [ -0.0009821200000000, -0.0003671600000000, 0.0025235900000000 ] - [ -0.0000668500000000, 0.0001889100000000, 0.0006275300000000 ] - [ -0.0017465900000000, 0.0009425700000000, 0.0000537300000000 ] - [ -0.0011008700000000, 0.0001115800000000, 0.0000055000000000 ] - [ -0.0005898200000000, -0.0003442200000000, 0.0005377100000000 ] - [ -0.0003360200000000, -0.0000963600000000, 0.0004793100000000 ] - [ -0.0089299200000000, 0.0043326900000000, 0.0105838800000000 ] - [ 0.0004342700000000, -0.0001603600000000, 0.0001390600000000 ] - [ -0.0003283000000000, -0.0004724300000000, 0.0030460600000000 ] - [ -0.0003792600000000, 0.0003261000000000, 0.0009585800000000 ] - [ -0.0002848900000000, 0.0001210000000000, 0.0001929400000000 ] - [ -0.0001988400000000, 0.0000882100000000, 0.0000683400000000 ] - [ -0.0000411800000000, 0.0000080800000000, 0.0012031500000000 ] - [ -0.0001222000000000, -0.0008192400000000, 0.0016476400000000 ] - [ 0.0042059400000000, -0.0052302400000000, 0.0034866600000000 ] - [ 0.0008832700000000, 0.0021586800000000, 0.0023043000000000 ] - [ 0.0014656000000000, 0.0015637800000000, 0.0034868100000000 ] - [ 0.0003771700000000, 0.0001303100000000, 0.0004266000000000 ] - [ -0.0014885400000000, -0.0009159600000000, -0.0008190900000000 ] - [ -0.0003932800000000, -0.0005131700000000, -0.0005621100000000 ] - [ 0.0002441100000000, 0.0004265100000000, 0.0001253200000000 ] - [ 0.0013466000000000, -0.0017693400000000, 0.0024581200000000 ] - [ -0.0042473800000000, 0.0016126800000000, -0.0016995900000000 ] - [ -0.0007894900000000, -0.0005984800000000, -0.0004126400000000 ] - [ 0.0004597500000000, 0.0000076100000000, 0.0006668200000000 ] - [ -0.0019755700000000, 0.0052826000000000, 0.0180964000000000 ] - [ 0.0001756000000000, 0.0006285200000000, -0.0001953900000000 ] - [ 0.0725699100000000, 0.0696965200000000, 0.0366136000000000 ] - [ -0.0003508900000000, 0.0006379300000000, 0.0009332600000000 ] - [ -0.0013594400000000, -0.0008044200000000, 0.0022341400000000 ] - [ -0.0038131300000000, 0.0000777500000000, 0.0030793200000000 ] - [ -0.0007254600000000, -0.0005223900000000, 0.0007022600000000 ] - [ -0.0008151000000000, -0.0002769400000000, 0.0017840700000000 ] - [ -0.0002495900000000, 0.0000644500000000, 0.0007865400000000 ] - [ 0.0295261300000000, -0.0012073500000000, -0.0153366700000000 ] - [ 0.0006534900000000, 0.0001850400000000, -0.0001939900000000 ] - [ 0.0314569700000000, -0.0297852100000000, 0.0070638600000000 ] - [ 0.0028426500000000, 0.0002798100000000, -0.0000340200000000 ] - [ -0.0027051200000000, -0.0014148600000000, -0.0029558400000000 ] - [ -0.0003716400000000, 0.0001114100000000, -0.0001715500000000 ] - [ -0.0004456600000000, -0.0002955300000000, -0.0011646400000000 ] - [ -0.0017307700000000, 0.0000533600000000, -0.0026269000000000 ] - [ 0.1736588100000000, -0.0125489200000000, -0.0170522400000000 ] - [ 0.0007616800000000, 0.0000790000000000, -0.0001198700000000 ] - [ 0.0008159600000000, 0.0007708800000000, -0.0009118200000000 ] - [ 0.0063300600000000, -0.0072445500000000, -0.0063613600000000 ] - [ -0.0007217100000000, -0.0003773100000000, -0.0004679600000000 ] - [ -0.0030129300000000, 0.0015718700000000, -0.0022559400000000 ] - [ 0.0008881700000000, -0.0000215300000000, -0.0009995200000000 ] - [ 0.0009270000000000, 0.0004486500000000, -0.0014334000000000 ] - [ 0.0103107800000000, 0.0045623000000000, -0.0052636300000000 ] - [ 0.0007110400000000, 0.0008540500000000, -0.0001263000000000 ] - [ -0.0006952700000000, 0.0010018500000000, -0.0027277800000000 ] - [ -0.0000536300000000, 0.0003025100000000, -0.0007461600000000 ] - [ -0.0003676200000000, 0.0001316700000000, -0.0002275800000000 ] - [ -0.0007344100000000, -0.0004619700000000, -0.0005194500000000 ] - [ -0.0000418200000000, -0.0002619800000000, -0.0004752900000000 ] - [ -0.0002292100000000, -0.0003389600000000, -0.0019786800000000 ] - [ 0.0037035200000000, 0.0006541800000000, -0.0001410600000000 ] - [ 0.0066038300000000, 0.0166879200000000, 0.0035291700000000 ] - [ -0.0011204100000000, -0.0009465900000000, -0.0008173800000000 ] - [ -0.0007608800000000, 0.0000511200000000, -0.0009404400000000 ] - [ 0.0006983200000000, -0.0003080900000000, 0.0000598500000000 ] - [ -0.0112854600000000, 0.0058078500000000, -0.0012648000000000 ] - [ -0.0005505000000000, 0.0006297700000000, -0.0012705800000000 ] - [ 0.0000025700000000, 0.0001936500000000, -0.0005663800000000 ] - [ -0.0013295800000000, -0.0000690100000000, 0.0001780200000000 ] - [ -0.0009380700000000, 0.0002605400000000, 0.0001683600000000 ] - [ -0.0004674400000000, -0.0019792300000000, -0.0022096800000000 ] - [ -0.0001094800000000, 0.0008047900000000, -0.0006633500000000 ] - [ -0.0000221700000000, -0.0003612400000000, -0.0003809100000000 ] - [ -0.0014673600000000, 0.0032219900000000, -0.0046388600000000 ] - [ -0.0000557300000000, 0.0001594100000000, -0.0005651400000000 ] - [ -0.0022412300000000, -0.0010806700000000, -0.0056705000000000 ] - [ -0.0009845400000000, 0.0001014600000000, 0.0004364000000000 ] - [ -0.0012233800000000, 0.0001354900000000, 0.0000934000000000 ] - [ -0.0002689300000000, 0.0000436600000000, 0.0000795700000000 ] - [ -0.0008269300000000, -0.0003806300000000, 0.0002674000000000 ]- atom: 19 displacement: [ -0.0099999989202427, 0.0000000000000000, -0.0000046470576681 ] forces: - [ -0.0003687700000000, -0.0000290500000000, 0.0005019000000000 ] - [ -0.0019179500000000, 0.0001125400000000, 0.0016827700000000 ] - [ 0.0025314600000000, 0.0000402800000000, -0.0001668100000000 ] - [ 0.0040580900000000, -0.0000799300000000, -0.0002235200000000 ] - [ -0.0000473000000000, 0.0005088500000000, -0.0004169200000000 ] - [ -0.0042092900000000, -0.0019102000000000, -0.0010703000000000 ] - [ -0.0004499200000000, -0.0000618500000000, 0.0006664100000000 ] - [ -0.0000062000000000, 0.0001638500000000, 0.0006865100000000 ] - [ -0.0014620900000000, 0.0020802700000000, -0.0033464400000000 ] - [ -0.0003266300000000, -0.0007785800000000, -0.0005870700000000 ] - [ -0.0007900600000000, -0.0001038200000000, 0.0000099400000000 ] - [ -0.0002105000000000, 0.0000465100000000, 0.0000199500000000 ] - [ -0.0047050000000000, -0.0036937700000000, 0.0010701500000000 ] - [ -0.0006411500000000, 0.0014166700000000, 0.0001289400000000 ] - [ 0.0012064900000000, -0.0002559000000000, -0.0022372400000000 ] - [ 0.0001564400000000, 0.0000845500000000, -0.0001416100000000 ] - [ -0.0016875500000000, -0.0008237100000000, -0.0002951600000000 ] - [ -0.0005710200000000, 0.0001670600000000, -0.0001475000000000 ] - [ 0.3362338100000000, 0.0215543300000000, -0.0034109800000000 ] - [ 0.0013751700000000, 0.0006752500000000, -0.0002804400000000 ] - [ -0.0014242900000000, 0.0002994300000000, 0.0046699400000000 ] - [ 0.0002971100000000, -0.0002911800000000, 0.0015878900000000 ] - [ -0.0003261600000000, 0.0022705500000000, 0.0027246000000000 ] - [ -0.0023462300000000, -0.0035484900000000, 0.0048970600000000 ] - [ -0.0110271400000000, 0.0101288800000000, 0.0007016200000000 ] - [ -0.0012110700000000, -0.0021577000000000, -0.0000779600000000 ] - [ 0.0096688800000000, -0.0032261000000000, 0.0206944100000000 ] - [ 0.0011989700000000, 0.0012952100000000, 0.0009548200000000 ] - [ 0.0129919800000000, -0.0092114900000000, -0.0006840900000000 ] - [ 0.0140026400000000, 0.0010603200000000, 0.0061627300000000 ] - [ -0.0021339600000000, 0.0000309800000000, 0.0004676500000000 ] - [ -0.0021335700000000, 0.0002548700000000, 0.0005925900000000 ] - [ -0.0002094100000000, 0.0001881500000000, -0.0009379900000000 ] - [ -0.0019405900000000, 0.0004108900000000, -0.0052418200000000 ] - [ -0.0018927600000000, -0.0011513100000000, -0.0047873400000000 ] - [ -0.0006554800000000, 0.0009401500000000, -0.0011662000000000 ] - [ -0.0002806400000000, -0.0006550100000000, -0.0004405000000000 ] - [ -0.0095965700000000, 0.0039383400000000, -0.0084470200000000 ] - [ -0.0000520300000000, 0.0008032100000000, -0.0012555300000000 ] - [ -0.0000541200000000, -0.0003289400000000, -0.0013648700000000 ] - [ 0.0047148000000000, -0.0006576500000000, 0.0229515700000000 ] - [ 0.0007702200000000, 0.0004025100000000, 0.0000640800000000 ] - [ -0.0041813400000000, 0.0004700100000000, -0.0013139400000000 ] - [ -0.0013705300000000, -0.0000088200000000, -0.0004271600000000 ] - [ -0.0020746600000000, -0.0011899100000000, 0.0043140700000000 ] - [ -0.0003529700000000, 0.0001419900000000, 0.0011472000000000 ] - [ -0.0002225000000000, 0.0000629500000000, 0.0004868700000000 ] - [ 0.0000641500000000, 0.0003078300000000, 0.0003005300000000 ] - [ -0.0012898600000000, -0.0005700700000000, -0.0000533100000000 ] - [ -0.0022903900000000, -0.0002811000000000, -0.0019374600000000 ] - [ -0.0005815500000000, -0.0000860700000000, -0.0000273200000000 ] - [ -0.0309561100000000, 0.0387195000000000, 0.0204310700000000 ] - [ 0.0009515000000000, -0.0018392700000000, -0.0019952900000000 ] - [ 0.0003436600000000, 0.0031874500000000, -0.0040666700000000 ] - [ 0.0001158800000000, 0.0009855300000000, -0.0001614100000000 ] - [ 0.0009093200000000, -0.0036562000000000, -0.0288804600000000 ] - [ 0.0002469200000000, -0.0038659400000000, -0.0015474300000000 ] - [ 0.0008966600000000, 0.0020817600000000, -0.0008923600000000 ] - [ 0.0009588700000000, 0.0005747400000000, -0.0024844000000000 ] - [ 0.0000417200000000, 0.0000208300000000, -0.0005966400000000 ] - [ 0.0016077200000000, -0.0005979900000000, -0.0000578700000000 ] - [ 0.0009630600000000, 0.0002248100000000, -0.0000070200000000 ] - [ 0.0004049700000000, -0.0003142300000000, 0.0003357400000000 ] - [ 0.0001498500000000, -0.0005604800000000, 0.0003950500000000 ] - [ 0.0088416700000000, -0.0040398900000000, -0.0103755900000000 ] - [ -0.0003916100000000, 0.0003605600000000, -0.0001653000000000 ] - [ 0.0004894300000000, 0.0006469300000000, -0.0031402800000000 ] - [ 0.0005578700000000, -0.0001471100000000, -0.0010671000000000 ] - [ 0.0004012000000000, 0.0002156000000000, -0.0001921300000000 ] - [ 0.0003095500000000, 0.0002436800000000, -0.0000653400000000 ] - [ 0.0003818600000000, -0.0000891800000000, -0.0014104800000000 ] - [ 0.0004637200000000, 0.0007259200000000, -0.0018536000000000 ] - [ -0.0046222000000000, 0.0051998400000000, -0.0034101200000000 ] - [ -0.0012585600000000, -0.0022114200000000, -0.0022348900000000 ] - [ -0.0010184300000000, -0.0015309100000000, -0.0035386400000000 ] - [ 0.0000051900000000, -0.0000889700000000, -0.0004798400000000 ] - [ 0.0016630900000000, 0.0002524800000000, -0.0000662800000000 ] - [ 0.0005820000000000, -0.0001446400000000, -0.0003168400000000 ] - [ -0.0006727100000000, -0.0009147200000000, -0.0005107500000000 ] - [ -0.0017144100000000, 0.0012745300000000, -0.0028362300000000 ] - [ 0.0042809800000000, -0.0018121800000000, 0.0016119400000000 ] - [ 0.0008677900000000, 0.0003749700000000, 0.0003364100000000 ] - [ 0.0001695900000000, 0.0002828900000000, -0.0004545700000000 ] - [ 0.0026246000000000, -0.0049906300000000, -0.0179290700000000 ] - [ -0.0008064000000000, -0.0003525600000000, -0.0000161400000000 ] - [ -0.0724277100000000, -0.0670058600000000, -0.0352127800000000 ] - [ 0.0007884800000000, -0.0011233300000000, -0.0005413000000000 ] - [ 0.0017881800000000, 0.0002971800000000, -0.0018289500000000 ] - [ 0.0033980800000000, -0.0000313200000000, -0.0029977400000000 ] - [ 0.0003432100000000, 0.0005582200000000, -0.0006409800000000 ] - [ 0.0007405500000000, 0.0000575700000000, -0.0017162500000000 ] - [ 0.0001707000000000, -0.0002858200000000, -0.0007232700000000 ] - [ -0.0300451400000000, 0.0014106600000000, 0.0162338500000000 ] - [ -0.0008264900000000, -0.0000067800000000, 0.0003121300000000 ] - [ -0.0314847100000000, 0.0300119300000000, -0.0072294100000000 ] - [ -0.0024755200000000, -0.0003172800000000, -0.0000394500000000 ] - [ 0.0023725800000000, 0.0013247000000000, 0.0031666400000000 ] - [ 0.0000356900000000, -0.0001963200000000, 0.0003827900000000 ] - [ 0.0004160800000000, 0.0005045400000000, 0.0011919900000000 ] - [ 0.0016948900000000, 0.0001435300000000, 0.0026553900000000 ] - [ -0.1850525200000000, 0.0147696500000000, 0.0191230300000000 ] - [ -0.0008839500000000, 0.0002549800000000, 0.0001155700000000 ] - [ -0.0009977800000000, -0.0014721300000000, 0.0018279100000000 ] - [ -0.0065383800000000, 0.0066072300000000, 0.0072661900000000 ] - [ 0.0007507200000000, 0.0005867400000000, 0.0004415300000000 ] - [ 0.0030381500000000, -0.0013636300000000, 0.0022223600000000 ] - [ -0.0007057200000000, 0.0002018700000000, 0.0008621100000000 ] - [ -0.0007442300000000, -0.0002680200000000, 0.0012958400000000 ] - [ -0.0101641900000000, -0.0042024000000000, 0.0053123000000000 ] - [ -0.0005868300000000, -0.0005291900000000, 0.0001324800000000 ] - [ 0.0010315700000000, -0.0010818200000000, 0.0025180300000000 ] - [ 0.0003903300000000, -0.0003860900000000, 0.0005361100000000 ] - [ 0.0000007500000000, -0.0001715700000000, 0.0002967600000000 ] - [ 0.0003648500000000, 0.0004206600000000, 0.0005864400000000 ] - [ 0.0004239000000000, 0.0003045200000000, 0.0004244600000000 ] - [ 0.0006173700000000, 0.0003782600000000, 0.0019210100000000 ] - [ -0.0035532800000000, -0.0013331500000000, -0.0007403700000000 ] - [ -0.0064397000000000, -0.0174593400000000, -0.0044423300000000 ] - [ 0.0006858500000000, 0.0004557400000000, 0.0004325300000000 ] - [ 0.0003243300000000, -0.0005428300000000, 0.0005545400000000 ] - [ -0.0006289500000000, 0.0000863900000000, -0.0001303400000000 ] - [ 0.0112860900000000, -0.0059497300000000, 0.0011926200000000 ] - [ 0.0011825400000000, -0.0003396400000000, 0.0014680000000000 ] - [ 0.0006390500000000, 0.0000892800000000, 0.0007752400000000 ] - [ 0.0006964600000000, 0.0003618300000000, -0.0003876800000000 ] - [ 0.0003091800000000, 0.0000389800000000, -0.0003702900000000 ] - [ 0.0009063300000000, 0.0014951900000000, 0.0026051600000000 ] - [ 0.0005475200000000, -0.0012979200000000, 0.0010503000000000 ] - [ -0.0003582200000000, 0.0004026100000000, 0.0004331400000000 ] - [ 0.0010944700000000, -0.0031917600000000, 0.0046984000000000 ] - [ -0.0000099400000000, -0.0003813300000000, 0.0006381700000000 ] - [ 0.0021962100000000, 0.0008530000000000, 0.0057547000000000 ] - [ 0.0008005400000000, 0.0000793000000000, -0.0003153900000000 ] - [ 0.0010417000000000, 0.0000429600000000, 0.0000160600000000 ] - [ 0.0006357600000000, -0.0000912100000000, -0.0001488100000000 ] - [ 0.0011939200000000, 0.0003194800000000, -0.0003336600000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002880300000000, 0.0003439300000000, -0.0000633600000000 ] - [ -0.0005152400000000, -0.0003250600000000, 0.0003288100000000 ] - [ 0.0001147100000000, 0.0053520600000000, 0.0068806000000000 ] - [ 0.0001416800000000, 0.0067485500000000, -0.0071298500000000 ] - [ -0.0007860500000000, 0.0009343800000000, 0.0000514500000000 ] - [ 0.0038523300000000, -0.0006845900000000, -0.0005675300000000 ] - [ 0.0001718600000000, 0.0001535800000000, -0.0013715800000000 ] - [ -0.0006655600000000, 0.0001551600000000, 0.0008551300000000 ] - [ -0.0038812800000000, -0.0024315800000000, -0.0033012400000000 ] - [ 0.0004499300000000, 0.0020739000000000, 0.0005111200000000 ] - [ -0.0001392000000000, -0.0006049400000000, 0.0000508200000000 ] - [ 0.0001782200000000, 0.0005257800000000, -0.0001634600000000 ] - [ 0.0017742900000000, -0.0017783600000000, 0.0002685400000000 ] - [ -0.0005832300000000, 0.0013589200000000, -0.0000337500000000 ] - [ 0.0000607900000000, -0.0012925200000000, -0.0000291500000000 ] - [ -0.0001484200000000, 0.0009106000000000, 0.0001595400000000 ] - [ 0.0003146800000000, -0.0015596800000000, -0.0001786900000000 ] - [ -0.0000623300000000, 0.0014149000000000, 0.0001290900000000 ] - [ -0.0271206900000000, -0.3328345500000000, -0.0265261900000000 ] - [ -0.0008342400000000, 0.0095251700000000, 0.0006988300000000 ] - [ 0.0006890000000000, -0.0009742600000000, 0.0004459300000000 ] - [ 0.0006041300000000, 0.0012166300000000, -0.0000245300000000 ] - [ -0.0006628500000000, 0.0020268400000000, 0.0014615600000000 ] - [ 0.0014067300000000, -0.0020768500000000, -0.0021234400000000 ] - [ -0.0040816300000000, -0.0018590700000000, 0.0019349200000000 ] - [ 0.0004377100000000, 0.0030032700000000, -0.0006627500000000 ] - [ -0.0030254400000000, -0.0159655900000000, 0.0000008500000000 ] - [ 0.0014626200000000, 0.0065242400000000, -0.0007983700000000 ] - [ 0.0263607700000000, 0.0336849500000000, -0.0315924500000000 ] - [ -0.0033312200000000, 0.0164417800000000, 0.0067346600000000 ] - [ -0.0004249700000000, 0.0001025800000000, -0.0002693700000000 ] - [ -0.0002016300000000, 0.0000976800000000, 0.0005430600000000 ] - [ -0.0012266200000000, 0.0018067600000000, -0.0019274400000000 ] - [ 0.0023025100000000, -0.0020836400000000, 0.0050184000000000 ] - [ 0.0003233500000000, -0.0034683600000000, 0.0001319000000000 ] - [ -0.0003014500000000, 0.0031041200000000, 0.0001114100000000 ] - [ 0.0017984200000000, 0.0014940300000000, 0.0013817500000000 ] - [ -0.0032102800000000, -0.0010180400000000, -0.0012526300000000 ] - [ -0.0001591700000000, 0.0002727900000000, 0.0008965500000000 ] - [ 0.0009725000000000, 0.0002674100000000, -0.0011913800000000 ] - [ 0.0025015500000000, -0.0029292800000000, 0.0018352500000000 ] - [ -0.0005550800000000, 0.0021795000000000, -0.0000415400000000 ] - [ -0.0019835800000000, -0.0007080900000000, -0.0000830400000000 ] - [ 0.0002630800000000, 0.0009457500000000, -0.0001501100000000 ] - [ 0.0000150100000000, -0.0016288000000000, -0.0001271800000000 ] - [ 0.0003595700000000, 0.0015111400000000, -0.0002038800000000 ] - [ 0.0006714700000000, -0.0007096900000000, -0.0000514800000000 ] - [ 0.0003446900000000, 0.0008986700000000, 0.0000575100000000 ] - [ 0.0000682800000000, -0.0008588300000000, 0.0000122800000000 ] - [ -0.0005691700000000, 0.0014504700000000, 0.0004588600000000 ] - [ 0.0037836600000000, 0.0092988100000000, -0.0023682100000000 ] - [ -0.0177920100000000, -0.0009045400000000, 0.0049884800000000 ] - [ 0.0003811500000000, -0.0006940400000000, -0.0000673500000000 ] - [ 0.0006181100000000, 0.0013076100000000, 0.0001814300000000 ] - [ -0.0033777000000000, 0.0084812200000000, 0.0006999300000000 ] - [ 0.0027377600000000, 0.0036737300000000, 0.0391580700000000 ] - [ 0.0014328300000000, -0.0003924500000000, -0.0013709700000000 ] - [ -0.0017398000000000, -0.0011667100000000, 0.0015388100000000 ] - [ -0.0002221400000000, 0.0010571100000000, 0.0002906200000000 ] - [ -0.0003620500000000, -0.0007655400000000, -0.0000519800000000 ] - [ 0.0003967100000000, 0.0002177500000000, 0.0000527600000000 ] - [ -0.0003570700000000, -0.0001430100000000, -0.0000377300000000 ] - [ -0.0003513700000000, 0.0005284400000000, 0.0004823900000000 ] - [ 0.0000553400000000, -0.0011037300000000, 0.0003715800000000 ] - [ 0.0010374800000000, 0.0049911300000000, -0.0022077600000000 ] - [ 0.0005015300000000, -0.0013309700000000, 0.0002328300000000 ] - [ 0.0010583800000000, 0.0021270200000000, -0.0000539800000000 ] - [ -0.0002661900000000, -0.0011496300000000, 0.0001975700000000 ] - [ 0.0002323600000000, 0.0004309600000000, -0.0002782900000000 ] - [ -0.0002332900000000, -0.0001749500000000, 0.0002709800000000 ] - [ -0.0003127900000000, 0.0004338500000000, -0.0003576200000000 ] - [ 0.0002817700000000, -0.0001024200000000, 0.0001401100000000 ] - [ -0.0079335600000000, 0.0078770000000000, 0.0091219300000000 ] - [ 0.0008511900000000, -0.0052944700000000, -0.0021726400000000 ] - [ -0.0013544800000000, 0.0026315600000000, 0.0015546300000000 ] - [ -0.0001819300000000, -0.0014172300000000, 0.0000356300000000 ] - [ 0.0005329500000000, 0.0009422300000000, -0.0004485200000000 ] - [ -0.0002280400000000, -0.0012861600000000, -0.0003707500000000 ] - [ 0.0001429200000000, -0.0019261300000000, -0.0002725700000000 ] - [ 0.0008003200000000, 0.0031041400000000, -0.0007896800000000 ] - [ 0.0019473200000000, 0.0007264600000000, 0.0000688900000000 ] - [ -0.0004478200000000, -0.0010046300000000, 0.0000840900000000 ] - [ -0.0004054800000000, -0.0031410400000000, 0.0022641200000000 ] - [ 0.0016445300000000, 0.0031302200000000, -0.0037882500000000 ] - [ -0.0000666800000000, -0.0049785800000000, -0.0013740900000000 ] - [ 0.0713063500000000, 0.1058541400000000, 0.0471980800000000 ] - [ 0.0004921400000000, -0.0015273300000000, -0.0001392400000000 ] - [ 0.0002031500000000, 0.0011978100000000, 0.0005749600000000 ] - [ 0.0001603300000000, 0.0011009800000000, -0.0006176900000000 ] - [ -0.0004602100000000, -0.0012519300000000, 0.0006856700000000 ] - [ -0.0004370000000000, 0.0002861800000000, 0.0000172800000000 ] - [ -0.0000488300000000, -0.0005270500000000, -0.0000618400000000 ] - [ -0.0019420300000000, 0.0186020200000000, 0.0063146100000000 ] - [ 0.0002229300000000, -0.0021575400000000, -0.0001208400000000 ] - [ -0.0300559100000000, 0.1352914600000000, -0.0341269100000000 ] - [ -0.0002284000000000, -0.0072049300000000, 0.0009704600000000 ] - [ 0.0003496900000000, 0.0017497800000000, 0.0005670200000000 ] - [ -0.0005274900000000, -0.0017234200000000, -0.0004509000000000 ] - [ 0.0002099700000000, 0.0000161700000000, 0.0003936600000000 ] - [ -0.0014485200000000, -0.0008078900000000, -0.0012970000000000 ] - [ -0.0156155000000000, 0.0297417900000000, 0.0043388000000000 ] - [ 0.0007525800000000, -0.0047347100000000, -0.0005893400000000 ] - [ 0.0017532000000000, -0.0109121700000000, 0.0064157900000000 ] - [ 0.0018714900000000, -0.0061958900000000, -0.0066847600000000 ] - [ -0.0004559600000000, 0.0003383900000000, -0.0002002000000000 ] - [ 0.0006086800000000, -0.0003267500000000, 0.0000190100000000 ] - [ -0.0001790200000000, 0.0002396000000000, -0.0010506700000000 ] - [ -0.0001276200000000, -0.0002135800000000, 0.0009178400000000 ] - [ 0.0059265000000000, 0.0141075600000000, -0.0073324600000000 ] - [ -0.0009262800000000, -0.0046497100000000, 0.0007358400000000 ] - [ -0.0006411300000000, 0.0031292800000000, -0.0013248100000000 ] - [ 0.0005465500000000, -0.0018688000000000, 0.0004692200000000 ] - [ 0.0000839200000000, -0.0006855900000000, -0.0003007900000000 ] - [ -0.0007451900000000, 0.0006109300000000, 0.0003416800000000 ] - [ 0.0004390400000000, -0.0000449700000000, 0.0007318100000000 ] - [ 0.0004064200000000, -0.0003984900000000, -0.0019843600000000 ] - [ -0.0091166200000000, -0.0128469000000000, 0.0019781900000000 ] - [ 0.0065869400000000, -0.0046743800000000, -0.0042651700000000 ] - [ 0.0000701600000000, 0.0009887000000000, -0.0000598500000000 ] - [ -0.0003721300000000, -0.0015066100000000, -0.0002845500000000 ] - [ -0.0030543500000000, -0.0020115900000000, -0.0009213900000000 ] - [ 0.0016835500000000, 0.0010357300000000, 0.0007898300000000 ] - [ 0.0007747900000000, 0.0004749800000000, -0.0000339100000000 ] - [ 0.0000638000000000, -0.0003154800000000, 0.0004776200000000 ] - [ -0.0003165600000000, 0.0004752800000000, -0.0000132800000000 ] - [ -0.0003234500000000, -0.0002136300000000, -0.0003359400000000 ] - [ -0.0009415900000000, 0.0012410800000000, -0.0001433300000000 ] - [ 0.0007063900000000, -0.0018578400000000, -0.0000104700000000 ] - [ -0.0009132800000000, -0.0003136800000000, -0.0004750500000000 ] - [ 0.0009371800000000, -0.0000845500000000, 0.0008010200000000 ] - [ 0.0021400400000000, -0.0019038100000000, 0.0012768000000000 ] - [ -0.0062325800000000, -0.0002665200000000, -0.0099165300000000 ] - [ -0.0001457200000000, 0.0002465800000000, 0.0003670400000000 ] - [ 0.0003202500000000, -0.0001931600000000, -0.0003677200000000 ] - [ 0.0000725900000000, -0.0005093500000000, 0.0001130200000000 ] - [ 0.0003043300000000, 0.0004830700000000, -0.0002051400000000 ]- atom: 19 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005473200000000, -0.0003477600000000, 0.0001475900000000 ] - [ 0.0002580900000000, 0.0003167400000000, -0.0002442400000000 ] - [ 0.0001771700000000, -0.0054280900000000, -0.0069990200000000 ] - [ 0.0001491200000000, -0.0067186000000000, 0.0069798500000000 ] - [ 0.0010450100000000, -0.0009380100000000, -0.0001343500000000 ] - [ -0.0035991000000000, 0.0006711700000000, 0.0004861300000000 ] - [ -0.0004610000000000, -0.0001799500000000, 0.0014423100000000 ] - [ 0.0003744200000000, -0.0001877800000000, -0.0007832600000000 ] - [ 0.0036242900000000, 0.0024346700000000, 0.0033871600000000 ] - [ -0.0007026300000000, -0.0020823100000000, -0.0004244200000000 ] - [ 0.0004301200000000, 0.0005763400000000, -0.0001207600000000 ] - [ 0.0001131400000000, -0.0005538600000000, 0.0000956700000000 ] - [ -0.0015185900000000, 0.0017818800000000, -0.0003546800000000 ] - [ 0.0008288500000000, -0.0013619900000000, -0.0000514800000000 ] - [ -0.0003492700000000, 0.0012650300000000, 0.0001098800000000 ] - [ -0.0001448600000000, -0.0009388300000000, -0.0000950500000000 ] - [ -0.0003173400000000, 0.0016480500000000, 0.0001809700000000 ] - [ 0.0000600700000000, -0.0013218800000000, -0.0001292100000000 ] - [ 0.0203610200000000, 0.3388892000000000, 0.0191376700000000 ] - [ 0.0003221600000000, -0.0093145000000000, -0.0005483700000000 ] - [ -0.0002503600000000, 0.0009818300000000, -0.0000832900000000 ] - [ -0.0001567300000000, -0.0012211300000000, 0.0003806100000000 ] - [ 0.0006688200000000, -0.0017334100000000, -0.0014642100000000 ] - [ -0.0014056300000000, 0.0023350900000000, 0.0021202300000000 ] - [ 0.0036271400000000, 0.0019061500000000, -0.0022984300000000 ] - [ -0.0008740300000000, -0.0030016900000000, 0.0003082400000000 ] - [ 0.0035938300000000, 0.0161830300000000, -0.0002229000000000 ] - [ -0.0009369300000000, -0.0063197400000000, 0.0006558600000000 ] - [ -0.0263005600000000, -0.0338992200000000, 0.0318193300000000 ] - [ 0.0033589400000000, -0.0162613700000000, -0.0066280100000000 ] - [ -0.0001009400000000, 0.0000865600000000, 0.0004264000000000 ] - [ -0.0003233800000000, 0.0000826000000000, -0.0003867600000000 ] - [ 0.0016704600000000, -0.0017934300000000, 0.0022886800000000 ] - [ -0.0018611800000000, 0.0020890200000000, -0.0046568700000000 ] - [ -0.0003197700000000, 0.0037586200000000, -0.0001359600000000 ] - [ 0.0002978500000000, -0.0028305500000000, -0.0001148100000000 ] - [ -0.0022540900000000, -0.0014779800000000, -0.0017515800000000 ] - [ 0.0027708300000000, 0.0010134700000000, 0.0008850600000000 ] - [ 0.0006833900000000, -0.0000823200000000, -0.0010576300000000 ] - [ -0.0004526500000000, -0.0000899800000000, 0.0010315000000000 ] - [ -0.0028110100000000, 0.0028718700000000, -0.0016088200000000 ] - [ 0.0002951400000000, -0.0022556400000000, 0.0001660000000000 ] - [ 0.0012030500000000, 0.0008796200000000, 0.0002308900000000 ] - [ -0.0010345800000000, -0.0007778400000000, 0.0003003700000000 ] - [ 0.0002539400000000, 0.0015469800000000, 0.0000027600000000 ] - [ -0.0000909100000000, -0.0015863600000000, 0.0000768600000000 ] - [ 0.0001047800000000, 0.0008824900000000, -0.0000960200000000 ] - [ 0.0004267500000000, -0.0007310500000000, -0.0002066600000000 ] - [ -0.0003397000000000, 0.0007860300000000, 0.0001161400000000 ] - [ 0.0002974400000000, -0.0015374500000000, -0.0003337100000000 ] - [ -0.0045853800000000, -0.0091492300000000, 0.0025294100000000 ] - [ 0.0169149500000000, 0.0008827000000000, -0.0047801400000000 ] - [ -0.0001149600000000, 0.0006258400000000, -0.0000641300000000 ] - [ -0.0003564600000000, -0.0013926200000000, -0.0003177600000000 ] - [ 0.0041510900000000, -0.0082891400000000, -0.0008342300000000 ] - [ -0.0018453900000000, -0.0034740400000000, -0.0392390400000000 ] - [ -0.0017759600000000, 0.0003004800000000, 0.0015827700000000 ] - [ 0.0013948300000000, 0.0010882600000000, -0.0013213400000000 ] - [ 0.0001997300000000, -0.0008472000000000, -0.0002654200000000 ] - [ 0.0003355800000000, 0.0009723700000000, 0.0000803400000000 ] - [ -0.0005144400000000, 0.0001127900000000, -0.0000577700000000 ] - [ 0.0002382100000000, 0.0004799000000000, 0.0000337400000000 ] - [ 0.0001673900000000, -0.0011900500000000, 0.0003959400000000 ] - [ -0.0002378500000000, 0.0004412400000000, 0.0005116500000000 ] - [ -0.0009539900000000, -0.0048273000000000, 0.0021750900000000 ] - [ -0.0004778500000000, 0.0015363300000000, -0.0002608100000000 ] - [ -0.0008851300000000, -0.0019519400000000, -0.0000550800000000 ] - [ 0.0004450600000000, 0.0013250200000000, -0.0003184500000000 ] - [ -0.0001097100000000, -0.0001001900000000, 0.0002829400000000 ] - [ 0.0003603700000000, 0.0005125700000000, -0.0002681700000000 ] - [ 0.0006526100000000, -0.0005328700000000, 0.0001491800000000 ] - [ 0.0000528800000000, 0.0000284900000000, -0.0003532600000000 ] - [ 0.0075597400000000, -0.0079529900000000, -0.0090659300000000 ] - [ -0.0012180000000000, 0.0052209100000000, 0.0022213200000000 ] - [ 0.0017295900000000, -0.0026162500000000, -0.0016150900000000 ] - [ 0.0005541600000000, 0.0014561000000000, -0.0000822300000000 ] - [ -0.0003469900000000, -0.0016023500000000, -0.0004317000000000 ] - [ 0.0004110400000000, 0.0006239900000000, -0.0005110300000000 ] - [ -0.0005876700000000, 0.0014295200000000, -0.0001093300000000 ] - [ -0.0012326100000000, -0.0035699700000000, 0.0003937900000000 ] - [ -0.0018627600000000, -0.0009559400000000, -0.0001391400000000 ] - [ 0.0005239300000000, 0.0007839400000000, -0.0001576500000000 ] - [ 0.0010396700000000, 0.0034357800000000, -0.0020669500000000 ] - [ -0.0010240300000000, -0.0027873500000000, 0.0040202000000000 ] - [ -0.0005759500000000, 0.0052539500000000, 0.0011532800000000 ] - [ -0.0684440200000000, -0.1023288700000000, -0.0443544400000000 ] - [ -0.0000541100000000, 0.0010285500000000, 0.0005221500000000 ] - [ 0.0002383300000000, -0.0016865200000000, -0.0001903000000000 ] - [ -0.0005310500000000, -0.0010684800000000, 0.0006689400000000 ] - [ 0.0000804700000000, 0.0012909000000000, -0.0006327100000000 ] - [ 0.0003552300000000, -0.0005106700000000, 0.0000434500000000 ] - [ -0.0000289800000000, 0.0003063500000000, 0.0001317700000000 ] - [ 0.0015895200000000, -0.0183829600000000, -0.0051808700000000 ] - [ -0.0004116000000000, 0.0023354000000000, 0.0002536100000000 ] - [ 0.0323425700000000, -0.1435827500000000, 0.0373618900000000 ] - [ 0.0005888700000000, 0.0071298700000000, -0.0010465800000000 ] - [ -0.0006857400000000, -0.0018270000000000, -0.0003571900000000 ] - [ 0.0001932800000000, 0.0016349500000000, 0.0006629700000000 ] - [ -0.0002404500000000, 0.0001850000000000, -0.0003651900000000 ] - [ 0.0014369200000000, 0.0010312500000000, 0.0013346700000000 ] - [ 0.0162982400000000, -0.0297864400000000, -0.0045064500000000 ] - [ -0.0008682300000000, 0.0050694500000000, 0.0005844300000000 ] - [ -0.0019444300000000, 0.0102009300000000, -0.0054815300000000 ] - [ -0.0020889200000000, 0.0055577000000000, 0.0075535300000000 ] - [ 0.0004872300000000, -0.0001347300000000, 0.0001745600000000 ] - [ -0.0005720500000000, 0.0005302300000000, -0.0000452300000000 ] - [ 0.0003617500000000, -0.0000659100000000, 0.0009360200000000 ] - [ 0.0003119300000000, 0.0003960600000000, -0.0010296400000000 ] - [ -0.0057693700000000, -0.0137452600000000, 0.0073304700000000 ] - [ 0.0010476000000000, 0.0049733300000000, -0.0007375900000000 ] - [ 0.0009823200000000, -0.0032344300000000, 0.0011269400000000 ] - [ -0.0002122200000000, 0.0017842800000000, -0.0006777700000000 ] - [ -0.0004543500000000, 0.0006349100000000, 0.0003733500000000 ] - [ 0.0003775100000000, -0.0006566200000000, -0.0002710500000000 ] - [ -0.0000583400000000, 0.0000789900000000, -0.0007878900000000 ] - [ -0.0000368500000000, 0.0004460300000000, 0.0019485800000000 ] - [ 0.0093032400000000, 0.0122126000000000, -0.0028968900000000 ] - [ -0.0063104300000000, 0.0039948800000000, 0.0033117100000000 ] - [ -0.0005043900000000, -0.0014853800000000, -0.0003237500000000 ] - [ -0.0000638000000000, 0.0010175100000000, -0.0001018900000000 ] - [ 0.0031485900000000, 0.0017886900000000, 0.0008603800000000 ] - [ -0.0016236600000000, -0.0012141900000000, -0.0008635800000000 ] - [ -0.0001397000000000, -0.0001886300000000, 0.0002488300000000 ] - [ 0.0005686700000000, 0.0006080400000000, -0.0002678300000000 ] - [ -0.0003190100000000, -0.0001910200000000, -0.0002010400000000 ] - [ -0.0003120000000000, 0.0005007800000000, 0.0001255300000000 ] - [ 0.0013781600000000, -0.0017450700000000, 0.0005282700000000 ] - [ -0.0002657100000000, 0.0013690300000000, 0.0004016700000000 ] - [ 0.0005406900000000, 0.0003480500000000, 0.0005323700000000 ] - [ -0.0013202400000000, 0.0001327500000000, -0.0007402800000000 ] - [ -0.0022236100000000, 0.0016777500000000, -0.0012064000000000 ] - [ 0.0061536900000000, 0.0000444800000000, 0.0099917400000000 ] - [ -0.0000332000000000, -0.0000702500000000, -0.0002427000000000 ] - [ -0.0005008900000000, 0.0003738800000000, 0.0004942600000000 ] - [ 0.0002987400000000, 0.0004627900000000, -0.0001857200000000 ] - [ 0.0000648500000000, -0.0005247700000000, 0.0001317700000000 ]- atom: 19 displacement: [ -0.0066066504307377, 0.0000000000000000, 0.0075068082489187 ] forces: - [ -0.0006857200000000, 0.0002042900000000, 0.0008015800000000 ] - [ -0.0022811300000000, -0.0001440500000000, 0.0023346000000000 ] - [ 0.0021608400000000, 0.0050345700000000, -0.0013231800000000 ] - [ 0.0030794400000000, -0.0061073500000000, -0.0008078800000000 ] - [ 0.0004204200000000, 0.0004572700000000, -0.0007204600000000 ] - [ -0.0010150600000000, -0.0015617800000000, -0.0022580900000000 ] - [ -0.0010426300000000, -0.0004013100000000, 0.0015716600000000 ] - [ -0.0009860800000000, 0.0005470700000000, 0.0015911000000000 ] - [ 0.0023029600000000, -0.0004305300000000, -0.0009830600000000 ] - [ 0.0005996700000000, 0.0002329900000000, -0.0002570700000000 ] - [ -0.0008424800000000, -0.0002283300000000, 0.0008934600000000 ] - [ -0.0002628600000000, 0.0000882500000000, 0.0002945200000000 ] - [ -0.0042954400000000, -0.0027488000000000, 0.0003562000000000 ] - [ -0.0009141300000000, 0.0011397300000000, 0.0000484200000000 ] - [ 0.0042206600000000, -0.0001956000000000, 0.0030581000000000 ] - [ 0.0003723800000000, 0.0000487900000000, -0.0001556600000000 ] - [ -0.0008485900000000, -0.0013681400000000, 0.0011870600000000 ] - [ -0.0004121200000000, 0.0003779700000000, 0.0003054000000000 ] - [ 0.2229453100000000, -0.0017622300000000, -0.2624573800000000 ] - [ 0.0010956200000000, 0.0009508100000000, -0.0029189200000000 ] - [ -0.0062458500000000, 0.0016883900000000, 0.0083445400000000 ] - [ 0.0000032000000000, -0.0016367500000000, 0.0020293600000000 ] - [ -0.0012045000000000, 0.0038014700000000, 0.0018332500000000 ] - [ -0.0084050000000000, -0.0079071100000000, 0.0026540600000000 ] - [ -0.0132121000000000, 0.0127173500000000, -0.0022831900000000 ] - [ -0.0015026100000000, -0.0026473500000000, -0.0009498000000000 ] - [ -0.0092237100000000, -0.0021872900000000, 0.0261222300000000 ] - [ 0.0000995700000000, 0.0014345100000000, 0.0020841300000000 ] - [ 0.0033873200000000, -0.0221416200000000, 0.0057806300000000 ] - [ 0.0059428700000000, 0.0071500000000000, 0.0031070700000000 ] - [ -0.0018823400000000, 0.0004018800000000, 0.0013806900000000 ] - [ -0.0017918900000000, -0.0000609700000000, 0.0014638700000000 ] - [ 0.0010528300000000, 0.0002109300000000, 0.0004032400000000 ] - [ 0.0029331200000000, 0.0009022500000000, 0.0009105300000000 ] - [ 0.0010480600000000, -0.0018886800000000, -0.0021432600000000 ] - [ 0.0003720500000000, 0.0007306100000000, -0.0005068400000000 ] - [ -0.0003253200000000, -0.0001541600000000, -0.0014679800000000 ] - [ -0.0058476900000000, 0.0030044900000000, -0.0088726200000000 ] - [ 0.0010207800000000, 0.0013959000000000, 0.0001342300000000 ] - [ 0.0009381300000000, -0.0009196300000000, 0.0000588900000000 ] - [ -0.0288757900000000, 0.0021367000000000, 0.0409597600000000 ] - [ 0.0010805300000000, 0.0003899700000000, -0.0011332500000000 ] - [ -0.0036211800000000, 0.0003416100000000, -0.0007688200000000 ] - [ -0.0009311000000000, 0.0001802800000000, -0.0001048900000000 ] - [ -0.0065578800000000, -0.0010919600000000, 0.0054972700000000 ] - [ -0.0014361900000000, 0.0003729200000000, 0.0014833100000000 ] - [ 0.0004336200000000, 0.0005551600000000, 0.0015667000000000 ] - [ -0.0000017600000000, -0.0000365000000000, 0.0007624200000000 ] - [ -0.0012928400000000, -0.0005808000000000, 0.0006974000000000 ] - [ -0.0018658000000000, 0.0008443500000000, -0.0000530600000000 ] - [ -0.0018973400000000, -0.0018999800000000, 0.0005536600000000 ] - [ -0.0284006700000000, 0.0282659900000000, 0.0141403500000000 ] - [ 0.0022793400000000, -0.0001187800000000, -0.0013911700000000 ] - [ 0.0023582500000000, 0.0012775200000000, -0.0019029100000000 ] - [ 0.0016372400000000, -0.0011214200000000, -0.0004796900000000 ] - [ 0.0133244300000000, 0.0157530900000000, -0.0041631200000000 ] - [ 0.0007781000000000, -0.0046902500000000, -0.0007376900000000 ] - [ 0.0016186600000000, 0.0034451400000000, 0.0011089900000000 ] - [ 0.0043795300000000, 0.0009105900000000, -0.0029922700000000 ] - [ 0.0007680000000000, 0.0003502000000000, -0.0006478900000000 ] - [ 0.0013285000000000, -0.0005681400000000, -0.0002237500000000 ] - [ 0.0006542900000000, 0.0002264500000000, -0.0001781300000000 ] - [ 0.0001127000000000, -0.0002328900000000, -0.0008316400000000 ] - [ 0.0000440900000000, -0.0004502600000000, 0.0002073100000000 ] - [ 0.0194977100000000, -0.0061027200000000, -0.0026993100000000 ] - [ -0.0003414500000000, 0.0003885700000000, 0.0004872200000000 ] - [ 0.0053717500000000, 0.0009597800000000, -0.0067389400000000 ] - [ 0.0013621900000000, -0.0001416700000000, -0.0017944500000000 ] - [ -0.0000611100000000, -0.0001728200000000, -0.0007201500000000 ] - [ 0.0002208300000000, 0.0006271200000000, -0.0005711900000000 ] - [ 0.0019276200000000, -0.0019852200000000, -0.0015650400000000 ] - [ 0.0014326900000000, 0.0028360800000000, -0.0025686700000000 ] - [ -0.0000428200000000, 0.0054146000000000, -0.0043984000000000 ] - [ -0.0000150800000000, -0.0028549800000000, -0.0021218800000000 ] - [ 0.0052843600000000, -0.0065457600000000, -0.0106373800000000 ] - [ 0.0002880600000000, 0.0005438400000000, -0.0003297600000000 ] - [ 0.0011375500000000, 0.0002364500000000, -0.0004388400000000 ] - [ 0.0003702700000000, -0.0003388900000000, -0.0005033700000000 ] - [ -0.0005243000000000, -0.0015268200000000, -0.0001641700000000 ] - [ 0.0074378300000000, 0.0077460300000000, -0.0081608100000000 ] - [ 0.0038040200000000, -0.0019092600000000, 0.0032184800000000 ] - [ 0.0005001000000000, 0.0002633100000000, 0.0008362900000000 ] - [ 0.0007675600000000, 0.0006100800000000, -0.0007146200000000 ] - [ 0.0051345000000000, -0.0036504500000000, -0.0107700600000000 ] - [ -0.0010424500000000, 0.0006427700000000, 0.0008668800000000 ] - [ -0.0189652400000000, -0.0064937300000000, 0.0207007300000000 ] - [ 0.0013855700000000, -0.0016308800000000, -0.0005762900000000 ] - [ 0.0043591500000000, 0.0000009900000000, -0.0019697400000000 ] - [ 0.0052339400000000, -0.0002227600000000, -0.0038813500000000 ] - [ 0.0006612600000000, 0.0006064600000000, -0.0006799300000000 ] - [ 0.0009908900000000, -0.0003228100000000, -0.0032576900000000 ] - [ 0.0001818800000000, -0.0000542100000000, -0.0010179800000000 ] - [ -0.0286632800000000, 0.0022428600000000, 0.1489014300000000 ] - [ -0.0011638500000000, -0.0000354400000000, 0.0017700600000000 ] - [ -0.0137776300000000, -0.0094715400000000, 0.0192520900000000 ] - [ -0.0017028000000000, -0.0021115900000000, 0.0017311200000000 ] - [ 0.0013081900000000, 0.0010978800000000, 0.0024546600000000 ] - [ -0.0000948200000000, -0.0002010900000000, 0.0003892500000000 ] - [ -0.0009280700000000, 0.0000367400000000, 0.0001421400000000 ] - [ -0.0009862800000000, -0.0004355000000000, 0.0003461200000000 ] - [ -0.1399403400000000, 0.0136520700000000, 0.0294815400000000 ] - [ -0.0004960800000000, 0.0006310300000000, 0.0005281600000000 ] - [ -0.0014551900000000, 0.0010478500000000, 0.0010811800000000 ] - [ -0.0030814400000000, -0.0009637000000000, 0.0033292200000000 ] - [ 0.0004902200000000, 0.0003840000000000, 0.0002361900000000 ] - [ 0.0017631300000000, -0.0009727600000000, 0.0014568800000000 ] - [ -0.0016548500000000, -0.0007262800000000, 0.0002234400000000 ] - [ -0.0019027500000000, 0.0005047000000000, 0.0002952600000000 ] - [ -0.0049212400000000, -0.0054868900000000, -0.0069028400000000 ] - [ -0.0003063500000000, 0.0000098800000000, -0.0001533800000000 ] - [ -0.0009536400000000, 0.0002383400000000, 0.0002090700000000 ] - [ -0.0000722600000000, -0.0002714700000000, 0.0000612800000000 ] - [ -0.0002125300000000, -0.0005448600000000, -0.0000699500000000 ] - [ -0.0002545500000000, 0.0007537400000000, -0.0002267100000000 ] - [ 0.0001827200000000, 0.0001643500000000, -0.0001047600000000 ] - [ -0.0000317100000000, -0.0006155600000000, -0.0004208100000000 ] - [ 0.0002963000000000, 0.0025542800000000, 0.0000538900000000 ] - [ -0.0027756200000000, -0.0137889700000000, -0.0012646000000000 ] - [ -0.0001205700000000, 0.0006522500000000, -0.0004587600000000 ] - [ -0.0001006600000000, -0.0008135400000000, 0.0000034700000000 ] - [ 0.0007906100000000, 0.0003356100000000, 0.0002997500000000 ] - [ 0.0108602500000000, -0.0050913000000000, 0.0013010200000000 ] - [ 0.0005109300000000, -0.0002893200000000, 0.0008931300000000 ] - [ 0.0001262600000000, 0.0002636300000000, 0.0002705000000000 ] - [ 0.0004073400000000, 0.0000171700000000, -0.0013423700000000 ] - [ 0.0002357200000000, 0.0000614500000000, -0.0008679900000000 ] - [ -0.0013083800000000, 0.0006671000000000, 0.0015998900000000 ] - [ -0.0003055300000000, -0.0004446100000000, 0.0008226600000000 ] - [ -0.0007827000000000, -0.0002619200000000, 0.0008552800000000 ] - [ -0.0016257300000000, -0.0014223700000000, 0.0036682200000000 ] - [ -0.0010945800000000, 0.0000715500000000, -0.0000265200000000 ] - [ -0.0029822100000000, -0.0011394800000000, 0.0013140500000000 ] - [ 0.0009174500000000, 0.0000500700000000, -0.0008941200000000 ] - [ 0.0010957600000000, -0.0000912900000000, -0.0007963400000000 ] - [ 0.0005942000000000, -0.0001875900000000, -0.0004130800000000 ] - [ 0.0010745900000000, 0.0007205700000000, -0.0008706600000000 ]- atom: 19 displacement: [ 0.0066066504307377, 0.0000000000000000, -0.0075068082489187 ] forces: - [ 0.0004308500000000, -0.0002097500000000, -0.0007212200000000 ] - [ 0.0020221500000000, 0.0001425800000000, -0.0022600400000000 ] - [ -0.0018898500000000, -0.0050575100000000, 0.0012765400000000 ] - [ -0.0028094300000000, 0.0060739500000000, 0.0007631200000000 ] - [ -0.0001659000000000, -0.0004640900000000, 0.0006419000000000 ] - [ 0.0012740000000000, 0.0015690300000000, 0.0021949100000000 ] - [ 0.0007601500000000, 0.0003649400000000, -0.0015055300000000 ] - [ 0.0006999700000000, -0.0005645900000000, -0.0015213700000000 ] - [ -0.0025741600000000, 0.0004269800000000, 0.0010505500000000 ] - [ -0.0008581100000000, -0.0002374900000000, 0.0003401800000000 ] - [ 0.0011442700000000, 0.0002027400000000, -0.0009568400000000 ] - [ 0.0005580300000000, -0.0001147800000000, -0.0003641800000000 ] - [ 0.0045520000000000, 0.0027459300000000, -0.0004521700000000 ] - [ 0.0011737800000000, -0.0011448000000000, -0.0001353600000000 ] - [ -0.0045108200000000, 0.0001691000000000, -0.0029749400000000 ] - [ -0.0006643800000000, -0.0000752000000000, 0.0002266800000000 ] - [ 0.0008520300000000, 0.0014675500000000, -0.0011788300000000 ] - [ 0.0004144400000000, -0.0002866300000000, -0.0003050200000000 ] - [ -0.2160494700000000, 0.0012008500000000, 0.2718384000000000 ] - [ -0.0016179700000000, -0.0007547000000000, 0.0030821500000000 ] - [ 0.0066860500000000, -0.0017080400000000, -0.0080067600000000 ] - [ 0.0004402100000000, 0.0016565100000000, -0.0016674700000000 ] - [ 0.0012001100000000, -0.0035430700000000, -0.0018531900000000 ] - [ 0.0084252200000000, 0.0082564000000000, -0.0026818900000000 ] - [ 0.0128998800000000, -0.0128741500000000, 0.0019646300000000 ] - [ 0.0010595600000000, 0.0026719100000000, 0.0005924900000000 ] - [ 0.0096282300000000, 0.0023571900000000, -0.0260988800000000 ] - [ 0.0004337500000000, -0.0012431500000000, -0.0022481800000000 ] - [ -0.0032307200000000, 0.0221333700000000, -0.0059275400000000 ] - [ -0.0059099100000000, -0.0070629600000000, -0.0031417200000000 ] - [ 0.0013715000000000, -0.0002202600000000, -0.0012295600000000 ] - [ 0.0012757100000000, 0.0002495300000000, -0.0013104200000000 ] - [ -0.0006046600000000, -0.0001992600000000, -0.0000436100000000 ] - [ -0.0024658600000000, -0.0008917800000000, -0.0005445300000000 ] - [ -0.0010300000000000, 0.0021748900000000, 0.0021494300000000 ] - [ -0.0003665200000000, -0.0004465700000000, 0.0005065500000000 ] - [ -0.0001124300000000, 0.0001683000000000, 0.0011045900000000 ] - [ 0.0054363100000000, -0.0030137900000000, 0.0085338900000000 ] - [ -0.0005001500000000, -0.0012149300000000, -0.0002703000000000 ] - [ -0.0004185900000000, 0.0011063200000000, -0.0002054300000000 ] - [ 0.0284849300000000, -0.0022158400000000, -0.0414547000000000 ] - [ -0.0013598600000000, -0.0004670500000000, 0.0012731300000000 ] - [ 0.0028736100000000, -0.0001736500000000, 0.0009302100000000 ] - [ 0.0001575000000000, -0.0000081700000000, 0.0002581600000000 ] - [ 0.0068239500000000, 0.0010290900000000, -0.0056452000000000 ] - [ 0.0017123000000000, -0.0004536800000000, -0.0016206900000000 ] - [ 0.0003348300000000, -0.0003848700000000, -0.0017194800000000 ] - [ 0.0007747400000000, 0.0002063600000000, -0.0009121200000000 ] - [ 0.0010326500000000, 0.0005028000000000, -0.0005709800000000 ] - [ 0.0016077900000000, -0.0009165800000000, 0.0001883100000000 ] - [ 0.0011350300000000, 0.0020918400000000, -0.0004198200000000 ] - [ 0.0273384000000000, -0.0280649800000000, -0.0141317700000000 ] - [ -0.0020134700000000, 0.0000492100000000, 0.0012684800000000 ] - [ -0.0020893100000000, -0.0013624600000000, 0.0017817100000000 ] - [ -0.0008706300000000, 0.0013125500000000, 0.0003270200000000 ] - [ -0.0124056100000000, -0.0155036800000000, 0.0038423000000000 ] - [ -0.0011134300000000, 0.0046453400000000, 0.0009536600000000 ] - [ -0.0019598500000000, -0.0035620300000000, -0.0009094900000000 ] - [ -0.0044031800000000, -0.0007045500000000, 0.0030296400000000 ] - [ -0.0008062700000000, -0.0001533500000000, 0.0006797900000000 ] - [ -0.0014617000000000, 0.0009096900000000, 0.0002183200000000 ] - [ -0.0007725000000000, 0.0001079100000000, 0.0001727200000000 ] - [ -0.0002965900000000, -0.0004254100000000, 0.0017075200000000 ] - [ -0.0002280900000000, -0.0002087900000000, 0.0006692800000000 ] - [ -0.0196994800000000, 0.0064172400000000, 0.0027802900000000 ] - [ 0.0003668300000000, -0.0001738300000000, -0.0005214300000000 ] - [ -0.0051823800000000, -0.0007798800000000, 0.0066110700000000 ] - [ -0.0011894700000000, 0.0003216400000000, 0.0016758200000000 ] - [ 0.0001808900000000, 0.0005118800000000, 0.0007226200000000 ] - [ -0.0000914100000000, -0.0002893100000000, 0.0005731000000000 ] - [ -0.0015880300000000, 0.0019132100000000, 0.0013597500000000 ] - [ -0.0010976700000000, -0.0029177500000000, 0.0023626700000000 ] - [ -0.0003524600000000, -0.0053947800000000, 0.0044908600000000 ] - [ -0.0003507700000000, 0.0028096800000000, 0.0021989500000000 ] - [ -0.0048477500000000, 0.0065827700000000, 0.0106101600000000 ] - [ 0.0001061500000000, -0.0005084800000000, 0.0002643200000000 ] - [ -0.0009568100000000, -0.0008980800000000, -0.0004447900000000 ] - [ -0.0001831600000000, -0.0003189600000000, -0.0003757800000000 ] - [ 0.0000979800000000, 0.0010406600000000, -0.0002207500000000 ] - [ -0.0078529000000000, -0.0082552400000000, 0.0078254200000000 ] - [ -0.0037463700000000, 0.0017018700000000, -0.0033083500000000 ] - [ -0.0004145700000000, -0.0004865000000000, -0.0008994700000000 ] - [ -0.0001328300000000, -0.0003274400000000, 0.0009359900000000 ] - [ -0.0044649700000000, 0.0039154700000000, 0.0109951500000000 ] - [ 0.0004149500000000, -0.0003617300000000, -0.0010764000000000 ] - [ 0.0177400300000000, 0.0061304300000000, -0.0213675500000000 ] - [ -0.0009519800000000, 0.0011467100000000, 0.0009654600000000 ] - [ -0.0039224600000000, -0.0005159400000000, 0.0023665400000000 ] - [ -0.0056374100000000, 0.0002804500000000, 0.0039392700000000 ] - [ -0.0010339400000000, -0.0005672800000000, 0.0007244600000000 ] - [ -0.0010608600000000, 0.0001060000000000, 0.0033459700000000 ] - [ -0.0002576200000000, -0.0001669600000000, 0.0011047100000000 ] - [ 0.0286238900000000, -0.0022697000000000, -0.1568688900000000 ] - [ 0.0009961100000000, 0.0002133500000000, -0.0016638300000000 ] - [ 0.0140947700000000, 0.0100333000000000, -0.0196347300000000 ] - [ 0.0020681100000000, 0.0020636200000000, -0.0017965400000000 ] - [ -0.0016531500000000, -0.0011867000000000, -0.0022506800000000 ] - [ -0.0002382700000000, 0.0001178400000000, -0.0001880700000000 ] - [ 0.0009034100000000, 0.0001703000000000, -0.0001144100000000 ] - [ 0.0009531100000000, 0.0006386900000000, -0.0003208900000000 ] - [ 0.1332778800000000, -0.0122408300000000, -0.0293064000000000 ] - [ 0.0003701000000000, -0.0002982500000000, -0.0005294900000000 ] - [ 0.0012635600000000, -0.0017373500000000, -0.0001567900000000 ] - [ 0.0028761100000000, 0.0003006400000000, -0.0024100900000000 ] - [ -0.0004632200000000, -0.0001801200000000, -0.0002652100000000 ] - [ -0.0017498400000000, 0.0011877300000000, -0.0014947500000000 ] - [ 0.0018409300000000, 0.0009062900000000, -0.0003625300000000 ] - [ 0.0020878000000000, -0.0003232000000000, -0.0004212400000000 ] - [ 0.0049599600000000, 0.0057483200000000, 0.0068637000000000 ] - [ 0.0004183700000000, 0.0003172400000000, 0.0001605600000000 ] - [ 0.0012813300000000, -0.0003132800000000, -0.0004192000000000 ] - [ 0.0004074300000000, 0.0001816000000000, -0.0002623900000000 ] - [ -0.0001498100000000, 0.0005045800000000, 0.0001369200000000 ] - [ -0.0001085800000000, -0.0008052800000000, 0.0002881600000000 ] - [ 0.0001928500000000, -0.0001179100000000, 0.0000595900000000 ] - [ 0.0004071300000000, 0.0006515800000000, 0.0003617700000000 ] - [ -0.0001549100000000, -0.0032566500000000, -0.0009176100000000 ] - [ 0.0029536400000000, 0.0130938800000000, 0.0004050400000000 ] - [ -0.0003241600000000, -0.0011469900000000, 0.0000749900000000 ] - [ -0.0003314400000000, 0.0003235100000000, -0.0003878800000000 ] - [ -0.0007216900000000, -0.0005604600000000, -0.0003759300000000 ] - [ -0.0108574300000000, 0.0049384400000000, -0.0013476500000000 ] - [ 0.0001260300000000, 0.0005775800000000, -0.0006978400000000 ] - [ 0.0005097500000000, 0.0000282300000000, -0.0000670700000000 ] - [ -0.0010425900000000, 0.0002760100000000, 0.0011375500000000 ] - [ -0.0008757800000000, 0.0002240700000000, 0.0006576900000000 ] - [ 0.0017396200000000, -0.0011650000000000, -0.0012218200000000 ] - [ 0.0007349700000000, -0.0000401800000000, -0.0004402700000000 ] - [ 0.0003997100000000, 0.0003005800000000, -0.0007999500000000 ] - [ 0.0012451400000000, 0.0014737700000000, -0.0036305100000000 ] - [ 0.0010191800000000, -0.0002949800000000, 0.0000952800000000 ] - [ 0.0029048300000000, 0.0009113800000000, -0.0011931100000000 ] - [ -0.0011042800000000, 0.0001323200000000, 0.0010150000000000 ] - [ -0.0012843600000000, 0.0002707800000000, 0.0009270900000000 ] - [ -0.0002298500000000, 0.0001404000000000, 0.0003459500000000 ] - [ -0.0007123500000000, -0.0007652800000000, 0.0008013600000000 ]- atom: 21 displacement: [ 0.0099999989202427, 0.0000000000000000, 0.0000046470576681 ] forces: - [ -0.0030549800000000, 0.0014646100000000, -0.0011738500000000 ] - [ -0.0048010400000000, -0.0012844200000000, -0.0010019800000000 ] - [ 0.0018389300000000, 0.0031584700000000, -0.0037299200000000 ] - [ 0.0001353000000000, -0.0009389000000000, -0.0005664400000000 ] - [ 0.0006918500000000, -0.0000264000000000, 0.0008046900000000 ] - [ 0.0001079300000000, -0.0002155500000000, 0.0006304200000000 ] - [ 0.0041879000000000, -0.0026120900000000, 0.0009191100000000 ] - [ 0.0007594700000000, 0.0011500100000000, 0.0001938900000000 ] - [ 0.0007148300000000, -0.0000317900000000, 0.0001109200000000 ] - [ 0.0002877400000000, -0.0000040400000000, 0.0001834600000000 ] - [ 0.0018152800000000, 0.0000313400000000, 0.0016082800000000 ] - [ 0.0006508800000000, 0.0000159000000000, 0.0005634000000000 ] - [ -0.0021811700000000, -0.0001722000000000, -0.0014629600000000 ] - [ -0.0002096900000000, 0.0000700700000000, -0.0004152200000000 ] - [ 0.0037495600000000, -0.0018330800000000, -0.0006620000000000 ] - [ -0.0003039800000000, 0.0005340700000000, -0.0003841100000000 ] - [ 0.0043744000000000, -0.0050855300000000, 0.0055581500000000 ] - [ -0.0001472500000000, 0.0029188600000000, 0.0012936900000000 ] - [ 0.0013785700000000, 0.0005709900000000, -0.0070951000000000 ] - [ -0.0003455700000000, 0.0004872700000000, -0.0002865100000000 ] - [ -0.3157418700000000, -0.0229566400000000, 0.0134621500000000 ] - [ -0.0020566400000000, -0.0001626300000000, -0.0009330200000000 ] - [ -0.0064212500000000, -0.0081139800000000, 0.0149491300000000 ] - [ -0.0138990300000000, 0.0062355300000000, 0.0056588400000000 ] - [ -0.0152029300000000, 0.0029285000000000, 0.0112131500000000 ] - [ -0.0003418700000000, -0.0005369500000000, 0.0016709600000000 ] - [ 0.0111484000000000, 0.0039743000000000, -0.0079062400000000 ] - [ 0.0012522000000000, -0.0005489100000000, -0.0009125600000000 ] - [ 0.0036868000000000, -0.0025451500000000, -0.0051789600000000 ] - [ 0.0008639000000000, 0.0004233000000000, -0.0011026200000000 ] - [ 0.0019028600000000, 0.0021818100000000, 0.0055670400000000 ] - [ 0.0001607500000000, -0.0013405900000000, 0.0015578000000000 ] - [ 0.0019063800000000, 0.0006620100000000, 0.0008184600000000 ] - [ 0.0019076000000000, -0.0003270100000000, 0.0006365500000000 ] - [ 0.0018062500000000, -0.0003510700000000, 0.0002509200000000 ] - [ 0.0005481600000000, 0.0003602100000000, 0.0000287900000000 ] - [ -0.0002808700000000, 0.0007719200000000, -0.0013090300000000 ] - [ -0.0002779800000000, -0.0005899400000000, -0.0013567900000000 ] - [ 0.0095954100000000, 0.0030723800000000, 0.0006512000000000 ] - [ 0.0003323500000000, -0.0019187800000000, -0.0001602600000000 ] - [ -0.0001987600000000, -0.0303385100000000, -0.0247630800000000 ] - [ -0.0003259300000000, -0.0018238900000000, 0.0011539500000000 ] - [ 0.0022883900000000, 0.0000387700000000, 0.0033075200000000 ] - [ 0.0005064300000000, 0.0003561700000000, 0.0007367800000000 ] - [ 0.0293854600000000, 0.0161041600000000, 0.0189553500000000 ] - [ 0.0008445500000000, -0.0026508600000000, -0.0009193600000000 ] - [ 0.0124002300000000, 0.0005405600000000, 0.0233140400000000 ] - [ -0.0014657700000000, 0.0000356300000000, -0.0000270400000000 ] - [ 0.0002890300000000, -0.0000073100000000, 0.0008384500000000 ] - [ 0.0000773300000000, 0.0001874400000000, 0.0004180600000000 ] - [ -0.0013687800000000, 0.0000748700000000, -0.0016106200000000 ] - [ -0.0009097400000000, -0.0003867600000000, -0.0047900400000000 ] - [ 0.0033006100000000, 0.0006283600000000, -0.0014779100000000 ] - [ 0.0009146700000000, -0.0003127400000000, -0.0002639400000000 ] - [ 0.0017879300000000, -0.0005129500000000, -0.0004614500000000 ] - [ 0.0023207600000000, 0.0015117000000000, -0.0021588600000000 ] - [ 0.0042186800000000, -0.0027098200000000, -0.0044008200000000 ] - [ 0.0016171300000000, 0.0004195600000000, -0.0001612200000000 ] - [ 0.1048584200000000, 0.0891857700000000, 0.0035356000000000 ] - [ 0.0005956000000000, 0.0013362700000000, 0.0005753300000000 ] - [ -0.0016648500000000, 0.0000307300000000, -0.0019625900000000 ] - [ -0.0005057100000000, 0.0003728000000000, -0.0005935500000000 ] - [ -0.0047593700000000, 0.0038716000000000, -0.0047802800000000 ] - [ 0.0006444700000000, -0.0011780000000000, 0.0003969000000000 ] - [ 0.0108356400000000, 0.0034286100000000, 0.0095069600000000 ] - [ 0.0002287100000000, 0.0005085200000000, -0.0004463100000000 ] - [ -0.0071677400000000, -0.0025092500000000, 0.0005394100000000 ] - [ -0.0005193000000000, 0.0006404300000000, 0.0003126100000000 ] - [ -0.0072947600000000, -0.0036918700000000, -0.0048133000000000 ] - [ 0.0007494600000000, 0.0009400700000000, -0.0002100300000000 ] - [ 0.0458970900000000, -0.0564283700000000, 0.0025879300000000 ] - [ 0.0025553500000000, -0.0013891200000000, -0.0002846000000000 ] - [ -0.0046537100000000, 0.0017998500000000, 0.0048643800000000 ] - [ -0.0004137500000000, 0.0000905900000000, 0.0005447700000000 ] - [ 0.1030737100000000, -0.0096382600000000, -0.0724962100000000 ] - [ 0.0009818200000000, 0.0005028300000000, -0.0000644700000000 ] - [ -0.0020932500000000, -0.0004848400000000, -0.0031500700000000 ] - [ -0.0004144800000000, -0.0010677800000000, -0.0010559100000000 ] - [ 0.0045604200000000, 0.0038949700000000, -0.0030450800000000 ] - [ 0.0085037300000000, 0.0111511700000000, -0.0009783500000000 ] - [ -0.0006181500000000, -0.0003721500000000, -0.0030633600000000 ] - [ -0.0006805500000000, 0.0000486900000000, -0.0007202700000000 ] - [ 0.0000222900000000, 0.0007599800000000, 0.0014568100000000 ] - [ -0.0011939000000000, -0.0018764900000000, 0.0052258700000000 ] - [ -0.0004661500000000, 0.0001460000000000, 0.0002263100000000 ] - [ -0.0006263700000000, 0.0005343000000000, 0.0024871300000000 ] - [ -0.0010659100000000, 0.0028799400000000, -0.0011248200000000 ] - [ -0.0001880400000000, -0.0099421400000000, -0.0090790000000000 ] - [ -0.0027081800000000, 0.0017238900000000, -0.0146632700000000 ] - [ -0.0000630000000000, 0.0010447400000000, -0.0009195000000000 ] - [ 0.0390196000000000, 0.0022387600000000, 0.0417054700000000 ] - [ 0.0014431800000000, -0.0001200200000000, 0.0010158000000000 ] - [ -0.0039970400000000, 0.0039102000000000, 0.0071255600000000 ] - [ 0.0010541000000000, 0.0001312800000000, -0.0004593400000000 ] - [ -0.0012482400000000, -0.0012607300000000, 0.0030871000000000 ] - [ 0.0000155400000000, -0.0000729700000000, 0.0002499900000000 ] - [ -0.0002948900000000, 0.0005028000000000, 0.0001709100000000 ] - [ -0.0002874200000000, -0.0003485600000000, 0.0002304500000000 ] - [ -0.0017776000000000, -0.0004668500000000, -0.0002974400000000 ] - [ -0.0006901400000000, 0.0001063300000000, -0.0000717600000000 ] - [ -0.0014765100000000, 0.0008354300000000, 0.0027805200000000 ] - [ 0.0000670800000000, 0.0002624200000000, 0.0005968500000000 ] - [ -0.0014607800000000, 0.0008300500000000, 0.0013215900000000 ] - [ -0.0008538300000000, -0.0005148100000000, 0.0010562000000000 ] - [ -0.0001657500000000, -0.0001597900000000, -0.0004567900000000 ] - [ -0.0001095500000000, 0.0002132300000000, -0.0000612000000000 ] - [ -0.0036966700000000, -0.0011925500000000, 0.0012611200000000 ] - [ -0.0003943900000000, 0.0005945300000000, 0.0002356800000000 ] - [ -0.0028523600000000, -0.0013722600000000, 0.0017835500000000 ] - [ -0.0006654600000000, 0.0001703500000000, 0.0002269800000000 ] - [ -0.0007027300000000, 0.0004330100000000, -0.0003386800000000 ] - [ -0.0002087500000000, -0.0002239700000000, -0.0001826900000000 ] - [ -0.0013465700000000, -0.0026461000000000, -0.0010170800000000 ] - [ -0.0013576400000000, 0.0021531300000000, -0.0001256400000000 ] - [ -0.0005393600000000, -0.0001728800000000, -0.0003465900000000 ] - [ -0.0005544600000000, -0.0001063000000000, -0.0001588100000000 ] - [ 0.0000999000000000, 0.0002023600000000, 0.0012670100000000 ] - [ -0.0001834900000000, -0.0007194900000000, 0.0009838700000000 ] - [ -0.0010938900000000, -0.0001543200000000, -0.0004910300000000 ] - [ -0.0005570600000000, -0.0004042900000000, -0.0002765600000000 ] - [ 0.0009460400000000, -0.0004038600000000, 0.0008246500000000 ] - [ 0.0010535900000000, 0.0000574600000000, 0.0012696100000000 ] - [ -0.0022548500000000, 0.0006694000000000, -0.0021412700000000 ] - [ 0.0000302100000000, 0.0004372200000000, -0.0004236300000000 ] - [ -0.0014039300000000, -0.0008142200000000, -0.0054430900000000 ] - [ 0.0000071200000000, 0.0003261400000000, -0.0002430500000000 ] - [ -0.0011583000000000, 0.0000606200000000, 0.0006299200000000 ] - [ -0.0000620000000000, -0.0000277700000000, 0.0003956600000000 ] - [ -0.0008929600000000, -0.0008448100000000, 0.0010758800000000 ] - [ -0.0007317100000000, 0.0003436800000000, 0.0006305700000000 ] - [ -0.0012175600000000, -0.0001335400000000, -0.0005261300000000 ] - [ -0.0012234400000000, -0.0003147000000000, -0.0000845300000000 ] - [ -0.0008066700000000, -0.0000270400000000, -0.0019439600000000 ] - [ -0.0004146900000000, 0.0001476800000000, -0.0008924500000000 ] - [ -0.0000066900000000, -0.0014012900000000, -0.0011010100000000 ] - [ 0.0003216800000000, 0.0023933000000000, -0.0020344800000000 ]- atom: 21 displacement: [ -0.0099999989202427, 0.0000000000000000, -0.0000046470576681 ] forces: - [ 0.0028106900000000, -0.0014394500000000, 0.0012811700000000 ] - [ 0.0045581700000000, 0.0012463100000000, 0.0011100200000000 ] - [ -0.0015426600000000, -0.0031916100000000, 0.0036790500000000 ] - [ 0.0001594700000000, 0.0009102900000000, 0.0004984300000000 ] - [ -0.0004412000000000, 0.0000222100000000, -0.0008978900000000 ] - [ 0.0001430200000000, 0.0002161100000000, -0.0007203600000000 ] - [ -0.0044538100000000, 0.0025550100000000, -0.0008405900000000 ] - [ -0.0010586400000000, -0.0011759100000000, -0.0001253900000000 ] - [ -0.0009748700000000, 0.0000289800000000, -0.0000261200000000 ] - [ -0.0005465500000000, 0.0000011100000000, -0.0000990600000000 ] - [ -0.0015185400000000, -0.0000564000000000, -0.0016771800000000 ] - [ -0.0003627100000000, -0.0000450000000000, -0.0006347300000000 ] - [ 0.0024218600000000, 0.0001697800000000, 0.0013854800000000 ] - [ 0.0004649100000000, -0.0000733900000000, 0.0003320900000000 ] - [ -0.0040648100000000, 0.0018201200000000, 0.0007456800000000 ] - [ 0.0000131600000000, -0.0005652900000000, 0.0004564400000000 ] - [ -0.0043950500000000, 0.0052250600000000, -0.0055875200000000 ] - [ 0.0001536200000000, -0.0028464300000000, -0.0013013700000000 ] - [ -0.0019046600000000, -0.0003690500000000, 0.0072258400000000 ] - [ -0.0001838800000000, -0.0002884800000000, 0.0004310200000000 ] - [ 0.3155995000000000, 0.0182559900000000, -0.0177783200000000 ] - [ 0.0025124000000000, 0.0001706100000000, 0.0013023900000000 ] - [ 0.0064127000000000, 0.0084539700000000, -0.0150492600000000 ] - [ 0.0139033600000000, -0.0059729500000000, -0.0056963700000000 ] - [ 0.0146338100000000, -0.0029663700000000, -0.0115847600000000 ] - [ -0.0001089300000000, 0.0005450000000000, -0.0020464400000000 ] - [ -0.0106126500000000, -0.0037310700000000, 0.0077372300000000 ] - [ -0.0007315400000000, 0.0007486800000000, 0.0007647300000000 ] - [ -0.0036677400000000, 0.0026119800000000, 0.0051495400000000 ] - [ -0.0008686200000000, -0.0003226500000000, 0.0011027000000000 ] - [ -0.0024147000000000, -0.0019892300000000, -0.0054289300000000 ] - [ -0.0006891700000000, 0.0015490000000000, -0.0014041400000000 ] - [ -0.0014678600000000, -0.0006602000000000, -0.0004495000000000 ] - [ -0.0014656300000000, 0.0003362500000000, -0.0002725200000000 ] - [ -0.0018098400000000, 0.0006392400000000, -0.0002454500000000 ] - [ -0.0005491100000000, -0.0000768800000000, -0.0000275600000000 ] - [ -0.0001678800000000, -0.0007637300000000, 0.0009506600000000 ] - [ -0.0001657100000000, 0.0005957100000000, 0.0010023400000000 ] - [ -0.0091547700000000, -0.0029140400000000, -0.0008051600000000 ] - [ 0.0002009800000000, 0.0021271400000000, 0.0000110300000000 ] - [ -0.0001490100000000, 0.0302125400000000, 0.0249747800000000 ] - [ 0.0000591800000000, 0.0017597800000000, -0.0010350100000000 ] - [ -0.0030728300000000, 0.0001269700000000, -0.0031692000000000 ] - [ -0.0012889600000000, -0.0001866400000000, -0.0005920600000000 ] - [ -0.0290219900000000, -0.0158395000000000, -0.0190886400000000 ] - [ -0.0005884500000000, 0.0025943800000000, 0.0007953200000000 ] - [ -0.0114900900000000, -0.0003683500000000, -0.0236748900000000 ] - [ 0.0022534100000000, 0.0001350000000000, -0.0001194500000000 ] - [ -0.0005563200000000, -0.0000713400000000, -0.0007072700000000 ] - [ -0.0003481100000000, -0.0002627900000000, -0.0002857600000000 ] - [ 0.0005890700000000, 0.0000903400000000, 0.0017626100000000 ] - [ 0.0001326300000000, 0.0005567800000000, 0.0049317700000000 ] - [ -0.0030503700000000, -0.0007068400000000, 0.0013609800000000 ] - [ -0.0006466000000000, 0.0002363900000000, 0.0001362900000000 ] - [ -0.0010155900000000, 0.0006738300000000, 0.0003079200000000 ] - [ -0.0015473100000000, -0.0013318900000000, 0.0019999200000000 ] - [ -0.0045415900000000, 0.0026389500000000, 0.0046552300000000 ] - [ -0.0019537600000000, -0.0005024700000000, 0.0003780100000000 ] - [ -0.1016117100000000, -0.0843570300000000, -0.0032229100000000 ] - [ -0.0006305100000000, -0.0011434800000000, -0.0005545900000000 ] - [ 0.0015323200000000, 0.0003071000000000, 0.0019652800000000 ] - [ 0.0003777900000000, -0.0000380300000000, 0.0005924900000000 ] - [ 0.0045704200000000, -0.0045473400000000, 0.0057306000000000 ] - [ -0.0008385000000000, 0.0005251300000000, 0.0004851100000000 ] - [ -0.0107985400000000, -0.0032235500000000, -0.0095383500000000 ] - [ -0.0001980900000000, -0.0003038600000000, 0.0004278100000000 ] - [ 0.0073722900000000, 0.0026489300000000, -0.0006424200000000 ] - [ 0.0007086500000000, -0.0004598200000000, -0.0004342000000000 ] - [ 0.0074515200000000, 0.0040430300000000, 0.0049079500000000 ] - [ -0.0006398700000000, -0.0006106100000000, 0.0002151200000000 ] - [ -0.0456714500000000, 0.0551358200000000, -0.0026521000000000 ] - [ -0.0022227900000000, 0.0013178400000000, 0.0000751700000000 ] - [ 0.0042405100000000, -0.0018483100000000, -0.0047555700000000 ] - [ 0.0000487700000000, -0.0001379900000000, -0.0004759400000000 ] - [ -0.1056263500000000, 0.0107346100000000, 0.0767821300000000 ] - [ -0.0006065000000000, -0.0004699500000000, 0.0000064800000000 ] - [ 0.0022834900000000, -0.0001731100000000, 0.0022731400000000 ] - [ 0.0006000500000000, 0.0004135500000000, 0.0001756600000000 ] - [ -0.0050299300000000, -0.0044085400000000, 0.0026753600000000 ] - [ -0.0089748300000000, -0.0116754800000000, 0.0005865200000000 ] - [ 0.0007142700000000, 0.0001578600000000, 0.0030059000000000 ] - [ 0.0007642900000000, -0.0002695700000000, 0.0006607500000000 ] - [ 0.0006151700000000, -0.0004628900000000, -0.0012477100000000 ] - [ 0.0018309600000000, 0.0021650000000000, -0.0050085600000000 ] - [ -0.0001703400000000, 0.0001472600000000, -0.0004324900000000 ] - [ -0.0000042400000000, -0.0002406700000000, -0.0026870100000000 ] - [ 0.0015406000000000, -0.0034081600000000, 0.0015365200000000 ] - [ 0.0006534900000000, 0.0094408300000000, 0.0095169600000000 ] - [ 0.0023317400000000, -0.0017198300000000, 0.0146190600000000 ] - [ -0.0003116800000000, -0.0010154500000000, 0.0009788100000000 ] - [ -0.0385501400000000, -0.0024550700000000, -0.0417552500000000 ] - [ -0.0015323100000000, -0.0001017200000000, -0.0009509700000000 ] - [ 0.0037733300000000, -0.0036878300000000, -0.0069638600000000 ] - [ -0.0012446600000000, 0.0000466700000000, 0.0005825200000000 ] - [ 0.0016094600000000, 0.0012038500000000, -0.0031445000000000 ] - [ 0.0003512600000000, 0.0000252700000000, -0.0003187600000000 ] - [ -0.0000415500000000, -0.0005903300000000, 0.0000288300000000 ] - [ -0.0000450700000000, 0.0002704200000000, -0.0000273300000000 ] - [ 0.0017593800000000, 0.0006842700000000, 0.0003222100000000 ] - [ 0.0006597000000000, 0.0001017600000000, 0.0000946900000000 ] - [ 0.0013426300000000, -0.0005035800000000, -0.0027760100000000 ] - [ -0.0001917200000000, 0.0000763600000000, -0.0006000400000000 ] - [ 0.0012673500000000, -0.0014780200000000, -0.0004323700000000 ] - [ 0.0006676000000000, -0.0001442400000000, -0.0001707900000000 ] - [ 0.0002025300000000, 0.0003601000000000, 0.0004302000000000 ] - [ 0.0001413700000000, -0.0000096700000000, 0.0000356400000000 ] - [ 0.0039001600000000, 0.0013807800000000, -0.0013870400000000 ] - [ 0.0005755500000000, -0.0004173600000000, -0.0003571400000000 ] - [ 0.0029692100000000, 0.0016945700000000, -0.0017734100000000 ] - [ 0.0007912800000000, 0.0001689200000000, -0.0002234800000000 ] - [ 0.0010397900000000, -0.0005259200000000, 0.0001322400000000 ] - [ 0.0005465300000000, 0.0001310600000000, -0.0000224800000000 ] - [ 0.0009802700000000, 0.0026134100000000, 0.0010939700000000 ] - [ 0.0009930900000000, -0.0022102100000000, 0.0001961000000000 ] - [ 0.0009099600000000, 0.0002147300000000, 0.0002973900000000 ] - [ 0.0009279500000000, 0.0001424600000000, 0.0001063900000000 ] - [ 0.0000878100000000, -0.0008534300000000, -0.0021461500000000 ] - [ 0.0003677900000000, 0.0000628000000000, -0.0018650100000000 ] - [ 0.0006591800000000, -0.0003326400000000, 0.0001028900000000 ] - [ 0.0001245300000000, -0.0000829100000000, -0.0001089000000000 ] - [ -0.0008662500000000, 0.0001828100000000, -0.0009100600000000 ] - [ -0.0009727800000000, -0.0002754200000000, -0.0013434800000000 ] - [ 0.0028968900000000, -0.0003772400000000, 0.0023618200000000 ] - [ 0.0006047400000000, -0.0001501400000000, 0.0006404200000000 ] - [ 0.0007202300000000, 0.0010968200000000, 0.0052083100000000 ] - [ -0.0006432300000000, -0.0000335800000000, 0.0000334400000000 ] - [ 0.0015956300000000, -0.0005506900000000, -0.0002487600000000 ] - [ 0.0004932600000000, -0.0004602200000000, -0.0000103200000000 ] - [ 0.0005100800000000, 0.0008860900000000, -0.0010213000000000 ] - [ 0.0003509800000000, -0.0003056600000000, -0.0005775900000000 ] - [ 0.0011332800000000, -0.0000848200000000, 0.0005861700000000 ] - [ 0.0011412800000000, 0.0000919700000000, 0.0001491200000000 ] - [ 0.0006196100000000, 0.0002067600000000, 0.0020557800000000 ] - [ 0.0002332100000000, 0.0000299600000000, 0.0010051100000000 ] - [ 0.0003709600000000, 0.0013595400000000, 0.0010351100000000 ] - [ 0.0000394800000000, -0.0024595600000000, 0.0019738600000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0015897200000000, 0.0061772000000000, 0.0069049300000000 ] - [ -0.0020437800000000, 0.0075026600000000, -0.0069207800000000 ] - [ 0.0019568000000000, -0.0019875200000000, -0.0014231700000000 ] - [ -0.0004020200000000, 0.0015149000000000, 0.0003460400000000 ] - [ -0.0001181300000000, 0.0003436700000000, -0.0013963200000000 ] - [ 0.0003159000000000, 0.0001891300000000, 0.0008036400000000 ] - [ -0.0046163000000000, -0.0021981800000000, -0.0001983900000000 ] - [ 0.0005389100000000, 0.0020122900000000, 0.0000455400000000 ] - [ 0.0002051600000000, -0.0006379400000000, -0.0000209400000000 ] - [ -0.0001553500000000, 0.0005416700000000, -0.0000653300000000 ] - [ 0.0009920300000000, -0.0005168900000000, 0.0006480300000000 ] - [ -0.0005238000000000, 0.0005554100000000, -0.0002087500000000 ] - [ -0.0001665700000000, -0.0018091900000000, -0.0001417000000000 ] - [ 0.0001449500000000, 0.0010733500000000, 0.0000719100000000 ] - [ -0.0017841700000000, -0.0004275400000000, -0.0001257000000000 ] - [ 0.0006418800000000, 0.0006538900000000, 0.0001036600000000 ] - [ -0.0017621300000000, 0.0003505200000000, -0.0011235200000000 ] - [ 0.0007235700000000, 0.0012958600000000, 0.0005565200000000 ] - [ -0.0005662400000000, -0.0008859500000000, 0.0020702700000000 ] - [ 0.0000369900000000, 0.0013153000000000, -0.0018552100000000 ] - [ -0.0253258700000000, -0.3368314800000000, -0.0116110800000000 ] - [ 0.0000590500000000, 0.0096953000000000, 0.0008904500000000 ] - [ -0.0010465500000000, 0.0352456300000000, -0.0398552000000000 ] - [ 0.0019079500000000, 0.0174203100000000, 0.0078167300000000 ] - [ -0.0031785800000000, -0.0178959600000000, 0.0011862400000000 ] - [ 0.0003259200000000, 0.0067599500000000, -0.0012926000000000 ] - [ 0.0104620500000000, -0.0018009700000000, -0.0081187200000000 ] - [ -0.0019054600000000, 0.0030978100000000, 0.0015664100000000 ] - [ 0.0000200100000000, -0.0037842700000000, -0.0002797500000000 ] - [ 0.0004226100000000, 0.0035448500000000, 0.0000551200000000 ] - [ -0.0006673700000000, -0.0019799700000000, 0.0009094600000000 ] - [ -0.0004459600000000, 0.0018934500000000, 0.0001786400000000 ] - [ -0.0001085500000000, 0.0000796800000000, -0.0000227500000000 ] - [ 0.0008831900000000, 0.0000765900000000, 0.0004017400000000 ] - [ 0.0000806600000000, -0.0013079600000000, -0.0001302200000000 ] - [ -0.0000064300000000, 0.0015568900000000, 0.0001113800000000 ] - [ 0.0003692200000000, 0.0000098900000000, 0.0010962000000000 ] - [ -0.0009911900000000, 0.0000017500000000, -0.0016021900000000 ] - [ 0.0041880000000000, -0.0009137300000000, -0.0006229700000000 ] - [ -0.0003989700000000, 0.0015813400000000, -0.0004361100000000 ] - [ -0.0115998200000000, -0.0003378800000000, 0.0152116300000000 ] - [ 0.0015556800000000, 0.0093539100000000, -0.0043344400000000 ] - [ -0.0007980200000000, -0.0017571300000000, 0.0007725300000000 ] - [ -0.0005415200000000, 0.0016100000000000, -0.0003210700000000 ] - [ 0.0268067300000000, 0.0037542600000000, 0.0262358700000000 ] - [ -0.0022697300000000, 0.0083397500000000, 0.0027454500000000 ] - [ -0.0003276700000000, -0.0047332300000000, 0.0016655300000000 ] - [ 0.0005876600000000, 0.0026371600000000, 0.0003125100000000 ] - [ -0.0004762600000000, -0.0009379000000000, 0.0005292600000000 ] - [ -0.0000963600000000, 0.0008903100000000, -0.0002311400000000 ] - [ -0.0012816300000000, -0.0009441300000000, 0.0023526400000000 ] - [ -0.0000027200000000, 0.0010902600000000, -0.0034832200000000 ] - [ 0.0008696300000000, -0.0009640100000000, -0.0005889900000000 ] - [ -0.0001047000000000, 0.0009477800000000, 0.0000314800000000 ] - [ 0.0002745300000000, -0.0008209100000000, -0.0007464200000000 ] - [ 0.0011823200000000, 0.0015740100000000, 0.0002347000000000 ] - [ 0.0001638900000000, 0.0078519800000000, 0.0134028600000000 ] - [ -0.0009938700000000, -0.0055236100000000, -0.0022318200000000 ] - [ 0.0872270400000000, 0.1082708000000000, -0.0036253100000000 ] - [ -0.0006009100000000, -0.0052054000000000, -0.0010231500000000 ] - [ -0.0001494300000000, 0.0013970800000000, -0.0000410500000000 ] - [ 0.0002331200000000, -0.0009383100000000, -0.0002516500000000 ] - [ 0.0003685000000000, 0.0024454200000000, 0.0030692000000000 ] - [ -0.0003818800000000, -0.0021284900000000, -0.0001241000000000 ] - [ -0.0015882100000000, 0.0035103500000000, -0.0046616800000000 ] - [ 0.0009320600000000, -0.0035091300000000, 0.0021580200000000 ] - [ -0.0128098700000000, -0.0011983700000000, -0.0012886600000000 ] - [ 0.0019992400000000, -0.0015732100000000, -0.0014114000000000 ] - [ -0.0029735000000000, 0.0029140200000000, -0.0030188300000000 ] - [ 0.0003414000000000, -0.0015427800000000, 0.0004027300000000 ] - [ -0.0523897600000000, 0.1357897200000000, -0.0097730500000000 ] - [ 0.0007341400000000, -0.0073678000000000, 0.0008047000000000 ] - [ -0.0012057700000000, 0.0045603500000000, 0.0019697600000000 ] - [ 0.0001701300000000, -0.0023647100000000, -0.0007942200000000 ] - [ -0.0128609100000000, 0.0309532600000000, 0.0176799400000000 ] - [ 0.0002574400000000, -0.0049216300000000, -0.0011703000000000 ] - [ 0.0009550400000000, 0.0009330400000000, -0.0005644400000000 ] - [ -0.0000935000000000, -0.0014450400000000, -0.0001855100000000 ] - [ -0.0058028200000000, -0.0128143100000000, 0.0076036700000000 ] - [ 0.0023867500000000, -0.0045029900000000, -0.0072519300000000 ] - [ 0.0006919000000000, 0.0022683900000000, -0.0000593400000000 ] - [ 0.0001942700000000, -0.0013919600000000, 0.0001891200000000 ] - [ 0.0021071100000000, -0.0008413300000000, -0.0017498500000000 ] - [ -0.0020796500000000, -0.0013191600000000, 0.0039951400000000 ] - [ -0.0005615900000000, 0.0001906800000000, 0.0006240400000000 ] - [ -0.0003989400000000, -0.0002262800000000, -0.0006405900000000 ] - [ 0.0056248700000000, -0.0107006600000000, 0.0031582300000000 ] - [ -0.0032290800000000, -0.0064177800000000, -0.0062943300000000 ] - [ -0.0013556200000000, 0.0126353200000000, -0.0094287800000000 ] - [ -0.0002757500000000, -0.0048351200000000, 0.0014172000000000 ] - [ 0.0043795000000000, 0.0216780300000000, 0.0060595600000000 ] - [ -0.0002992900000000, -0.0025678200000000, -0.0001631200000000 ] - [ 0.0015780800000000, 0.0008548500000000, -0.0009066500000000 ] - [ -0.0023012300000000, -0.0015535600000000, 0.0023660600000000 ] - [ 0.0001014200000000, 0.0018283800000000, -0.0005456100000000 ] - [ -0.0000507600000000, -0.0018340900000000, 0.0006881000000000 ] - [ -0.0000193200000000, 0.0007091300000000, 0.0005486600000000 ] - [ -0.0003143400000000, -0.0007682500000000, -0.0003267000000000 ] - [ -0.0001625100000000, 0.0003941000000000, 0.0001138200000000 ] - [ -0.0000984500000000, -0.0002621400000000, -0.0000179600000000 ] - [ -0.0003297100000000, 0.0006394600000000, 0.0006205500000000 ] - [ 0.0001086800000000, -0.0002161500000000, -0.0004476700000000 ] - [ -0.0003025200000000, 0.0011753300000000, 0.0002192300000000 ] - [ -0.0001763500000000, -0.0017601500000000, 0.0005326300000000 ] - [ -0.0001557800000000, 0.0005561300000000, -0.0003800800000000 ] - [ 0.0003232900000000, -0.0003836700000000, 0.0003494100000000 ] - [ -0.0009594800000000, 0.0007107300000000, 0.0005949000000000 ] - [ 0.0003862500000000, -0.0005178300000000, 0.0000454900000000 ] - [ -0.0015809000000000, -0.0000439600000000, 0.0009637400000000 ] - [ 0.0008157200000000, 0.0000392100000000, -0.0001351400000000 ] - [ 0.0000764300000000, 0.0004578200000000, -0.0002204700000000 ] - [ 0.0002152500000000, -0.0005558000000000, 0.0000481400000000 ] - [ -0.0006459800000000, -0.0003038500000000, -0.0000181000000000 ] - [ 0.0001255800000000, -0.0005361200000000, 0.0000752700000000 ] - [ 0.0004973400000000, 0.0002507600000000, 0.0000416900000000 ] - [ -0.0001891900000000, -0.0003862600000000, -0.0001566900000000 ] - [ 0.0008102300000000, 0.0014319500000000, -0.0005667400000000 ] - [ -0.0006219000000000, -0.0022451900000000, 0.0002194000000000 ] - [ -0.0001504300000000, 0.0007792000000000, -0.0004626800000000 ] - [ -0.0003277800000000, -0.0011625800000000, 0.0000106200000000 ] - [ 0.0004082300000000, 0.0000162000000000, -0.0015528500000000 ] - [ 0.0001321900000000, -0.0004547400000000, 0.0016865200000000 ] - [ -0.0003873100000000, 0.0013776400000000, -0.0004374600000000 ] - [ 0.0005007100000000, -0.0006816900000000, 0.0005723600000000 ] - [ 0.0009385700000000, 0.0011638600000000, 0.0008031500000000 ] - [ -0.0003838200000000, -0.0009038500000000, -0.0005586400000000 ] - [ 0.0000586800000000, 0.0007934200000000, 0.0004996700000000 ] - [ 0.0003392700000000, -0.0011403100000000, 0.0000276700000000 ] - [ -0.0003908700000000, 0.0003343100000000, -0.0002340000000000 ] - [ 0.0000187800000000, -0.0004411200000000, 0.0004906200000000 ] - [ 0.0000397600000000, 0.0000656000000000, 0.0004171500000000 ] - [ -0.0006009600000000, -0.0004092900000000, -0.0003104500000000 ] - [ 0.0003274700000000, 0.0007639800000000, 0.0001285000000000 ] - [ -0.0002211300000000, -0.0005440600000000, -0.0000326000000000 ] - [ -0.0003318000000000, 0.0001851100000000, -0.0007135300000000 ] - [ 0.0007552900000000, -0.0006990700000000, 0.0004817200000000 ]- atom: 21 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0018445000000000, -0.0062289200000000, -0.0068650000000000 ] - [ 0.0017804500000000, -0.0074402700000000, 0.0069291500000000 ] - [ -0.0016667900000000, 0.0019733400000000, 0.0013544900000000 ] - [ 0.0006862700000000, -0.0015381600000000, -0.0004093900000000 ] - [ 0.0003763300000000, -0.0003439400000000, 0.0013100200000000 ] - [ -0.0000596500000000, -0.0001934400000000, -0.0008881700000000 ] - [ 0.0043222000000000, 0.0021763300000000, 0.0002695800000000 ] - [ -0.0008286900000000, -0.0020402700000000, 0.0000228900000000 ] - [ -0.0004619200000000, 0.0006369200000000, 0.0001075700000000 ] - [ -0.0001009100000000, -0.0005423900000000, 0.0001531300000000 ] - [ -0.0007006000000000, 0.0004868400000000, -0.0007187000000000 ] - [ 0.0008154800000000, -0.0005792200000000, 0.0001384800000000 ] - [ 0.0004182600000000, 0.0018086900000000, 0.0000687100000000 ] - [ 0.0001127100000000, -0.0010733900000000, -0.0001617100000000 ] - [ 0.0014972500000000, 0.0003908400000000, 0.0001948800000000 ] - [ -0.0009389500000000, -0.0006786100000000, -0.0000342000000000 ] - [ 0.0017582200000000, -0.0002707400000000, 0.0011288100000000 ] - [ -0.0007279900000000, -0.0011892000000000, -0.0005648000000000 ] - [ 0.0000396300000000, 0.0010712400000000, -0.0019129000000000 ] - [ -0.0005633500000000, -0.0011205000000000, 0.0020186400000000 ] - [ 0.0157961800000000, 0.3417468900000000, 0.0096049200000000 ] - [ 0.0003891400000000, -0.0096682700000000, -0.0005306800000000 ] - [ 0.0012671200000000, -0.0352483700000000, 0.0399795900000000 ] - [ -0.0018119600000000, -0.0170525700000000, -0.0077567300000000 ] - [ 0.0027194400000000, 0.0179247300000000, -0.0016322300000000 ] - [ -0.0007560600000000, -0.0067381000000000, 0.0009284200000000 ] - [ -0.0099626500000000, 0.0019681300000000, 0.0079878000000000 ] - [ 0.0024305500000000, -0.0029056600000000, -0.0017168800000000 ] - [ -0.0000224900000000, 0.0038896000000000, 0.0002820600000000 ] - [ -0.0004238600000000, -0.0034533400000000, -0.0000508900000000 ] - [ 0.0001494100000000, 0.0021919300000000, -0.0007544000000000 ] - [ -0.0000793900000000, -0.0017069500000000, -0.0000291200000000 ] - [ 0.0005527200000000, -0.0000660300000000, 0.0003908600000000 ] - [ -0.0004411100000000, -0.0000763100000000, -0.0000375900000000 ] - [ -0.0000809700000000, 0.0015877100000000, 0.0001323800000000 ] - [ 0.0000048700000000, -0.0012692100000000, -0.0001120500000000 ] - [ -0.0008157700000000, 0.0000085700000000, -0.0014674600000000 ] - [ 0.0005433600000000, -0.0000021500000000, 0.0012324700000000 ] - [ -0.0036685500000000, 0.0011139300000000, 0.0004719200000000 ] - [ 0.0009120000000000, -0.0013910100000000, 0.0002775000000000 ] - [ 0.0112931400000000, 0.0000637100000000, -0.0149653100000000 ] - [ -0.0018342200000000, -0.0094514500000000, 0.0044884300000000 ] - [ 0.0000277600000000, 0.0019265300000000, -0.0006272600000000 ] - [ -0.0002280600000000, -0.0014352800000000, 0.0004710600000000 ] - [ -0.0264347700000000, -0.0037639400000000, -0.0264283700000000 ] - [ 0.0025452700000000, -0.0083838700000000, -0.0028603900000000 ] - [ 0.0012138400000000, 0.0049450000000000, -0.0017214700000000 ] - [ 0.0001787900000000, -0.0024635100000000, -0.0004661900000000 ] - [ 0.0002039400000000, 0.0008659700000000, -0.0003963600000000 ] - [ -0.0001710800000000, -0.0009656400000000, 0.0003589400000000 ] - [ 0.0005098300000000, 0.0011252000000000, -0.0022067300000000 ] - [ -0.0007673500000000, -0.0009260700000000, 0.0036336400000000 ] - [ -0.0005990800000000, 0.0008920000000000, 0.0004596500000000 ] - [ 0.0003707900000000, -0.0010239400000000, -0.0001596800000000 ] - [ 0.0004976300000000, 0.0009979700000000, 0.0006021700000000 ] - [ -0.0004104600000000, -0.0014078400000000, -0.0003832200000000 ] - [ -0.0005132000000000, -0.0079507600000000, -0.0132065800000000 ] - [ 0.0006448900000000, 0.0054259800000000, 0.0024321300000000 ] - [ -0.0824550200000000, -0.1046752500000000, 0.0040163700000000 ] - [ 0.0005550900000000, 0.0054048600000000, 0.0010375900000000 ] - [ 0.0000179800000000, -0.0010623000000000, 0.0000396300000000 ] - [ -0.0003557600000000, 0.0012735700000000, 0.0002465400000000 ] - [ -0.0005744700000000, -0.0030628100000000, -0.0021851200000000 ] - [ 0.0002050700000000, 0.0014703900000000, 0.0010131700000000 ] - [ 0.0016347800000000, -0.0032523300000000, 0.0046633400000000 ] - [ -0.0009043600000000, 0.0037178800000000, -0.0021890300000000 ] - [ 0.0130503900000000, 0.0013744300000000, 0.0011949700000000 ] - [ -0.0018196300000000, 0.0017494400000000, 0.0013059500000000 ] - [ 0.0030975700000000, -0.0026226300000000, 0.0030403000000000 ] - [ -0.0002040300000000, 0.0018792400000000, -0.0003967400000000 ] - [ 0.0567770300000000, -0.1438070300000000, 0.0109870700000000 ] - [ -0.0004058800000000, 0.0072585600000000, -0.0010193200000000 ] - [ 0.0008444000000000, -0.0046104100000000, -0.0019055700000000 ] - [ -0.0005411000000000, 0.0023033800000000, 0.0008580700000000 ] - [ 0.0136401700000000, -0.0313216800000000, -0.0182071600000000 ] - [ 0.0001177900000000, 0.0049630900000000, 0.0011149900000000 ] - [ -0.0007724200000000, -0.0015843300000000, -0.0003192000000000 ] - [ 0.0002766800000000, 0.0007857300000000, -0.0006982500000000 ] - [ 0.0053366200000000, 0.0123560500000000, -0.0080250700000000 ] - [ -0.0028145700000000, 0.0039973600000000, 0.0067532200000000 ] - [ -0.0006168100000000, -0.0024900500000000, 0.0000008300000000 ] - [ -0.0001228200000000, 0.0011714000000000, -0.0002620100000000 ] - [ -0.0014883300000000, 0.0011439000000000, 0.0019569000000000 ] - [ 0.0027051200000000, 0.0016234100000000, -0.0037928300000000 ] - [ -0.0000738400000000, 0.0000939900000000, -0.0008471600000000 ] - [ -0.0002315900000000, 0.0005250700000000, 0.0004290700000000 ] - [ -0.0051499100000000, 0.0101529100000000, -0.0027240200000000 ] - [ 0.0036462600000000, 0.0059548500000000, 0.0067070000000000 ] - [ 0.0009819300000000, -0.0125749200000000, 0.0094631000000000 ] - [ -0.0001103000000000, 0.0048596100000000, -0.0013557700000000 ] - [ -0.0041516500000000, -0.0218278200000000, -0.0050314200000000 ] - [ 0.0002258600000000, 0.0023473600000000, 0.0002288600000000 ] - [ -0.0017682100000000, -0.0006361700000000, 0.0010317300000000 ] - [ 0.0021262900000000, 0.0017340700000000, -0.0022507900000000 ] - [ 0.0002703600000000, -0.0018734200000000, 0.0004715700000000 ] - [ 0.0004176500000000, 0.0017907400000000, -0.0007625200000000 ] - [ -0.0003132400000000, -0.0007820900000000, -0.0003370800000000 ] - [ -0.0000221200000000, 0.0006790200000000, 0.0005379000000000 ] - [ 0.0001268400000000, -0.0001904400000000, -0.0000917500000000 ] - [ 0.0000733500000000, 0.0004761900000000, 0.0000419500000000 ] - [ 0.0002006800000000, -0.0002970200000000, -0.0006239500000000 ] - [ -0.0002232100000000, 0.0005467400000000, 0.0004396200000000 ] - [ 0.0001219900000000, -0.0018373200000000, 0.0006616900000000 ] - [ -0.0000133900000000, 0.0011132700000000, 0.0003451300000000 ] - [ 0.0001884700000000, -0.0003495700000000, 0.0003565800000000 ] - [ -0.0002888500000000, 0.0005918400000000, -0.0003701700000000 ] - [ 0.0011403500000000, -0.0005345700000000, -0.0007137700000000 ] - [ -0.0001994300000000, 0.0006994000000000, -0.0001563900000000 ] - [ 0.0017089900000000, 0.0003857500000000, -0.0009635800000000 ] - [ -0.0006793600000000, 0.0002965200000000, 0.0001356300000000 ] - [ 0.0002615400000000, -0.0005397900000000, 0.0000050900000000 ] - [ 0.0001195700000000, 0.0004732500000000, -0.0002593100000000 ] - [ 0.0002736800000000, 0.0002517300000000, 0.0000900900000000 ] - [ -0.0004954000000000, 0.0004964900000000, -0.0000032800000000 ] - [ -0.0001157400000000, -0.0002122500000000, -0.0001009200000000 ] - [ 0.0005639300000000, 0.0004303200000000, 0.0001066100000000 ] - [ -0.0006274100000000, -0.0020951400000000, -0.0003174300000000 ] - [ 0.0008113000000000, 0.0015983900000000, -0.0011024600000000 ] - [ -0.0002892800000000, -0.0012686500000000, 0.0000757400000000 ] - [ -0.0001094100000000, 0.0006753700000000, -0.0003973900000000 ] - [ -0.0003339600000000, -0.0002393600000000, 0.0014961000000000 ] - [ -0.0000614100000000, 0.0002404700000000, -0.0017495900000000 ] - [ 0.0010211900000000, -0.0010862500000000, 0.0006519800000000 ] - [ 0.0001326200000000, 0.0009773700000000, -0.0003637300000000 ] - [ -0.0015947200000000, -0.0008814700000000, -0.0010508300000000 ] - [ -0.0002478900000000, 0.0011966000000000, 0.0003489900000000 ] - [ 0.0003813100000000, -0.0012835200000000, -0.0001125300000000 ] - [ 0.0001006800000000, 0.0006527500000000, 0.0003611700000000 ] - [ 0.0000148600000000, -0.0002980200000000, 0.0002904500000000 ] - [ -0.0003978200000000, 0.0004843000000000, -0.0004330800000000 ] - [ -0.0001141800000000, -0.0002853500000000, -0.0003520800000000 ] - [ 0.0005254900000000, 0.0001929500000000, 0.0003700300000000 ] - [ -0.0005074500000000, -0.0005872800000000, -0.0000168300000000 ] - [ 0.0000358200000000, 0.0007272700000000, 0.0001539100000000 ] - [ 0.0007037400000000, -0.0002406500000000, 0.0006471700000000 ] - [ -0.0003815600000000, 0.0006638900000000, -0.0005538600000000 ]- atom: 21 displacement: [ -0.0066066504307377, 0.0000000000000000, 0.0075068082489187 ] forces: - [ 0.0010782700000000, 0.0038796400000000, 0.0000997000000000 ] - [ 0.0024587200000000, -0.0051551500000000, 0.0002739300000000 ] - [ -0.0039542400000000, -0.0042853300000000, 0.0040414500000000 ] - [ -0.0006410500000000, 0.0013281700000000, 0.0004031000000000 ] - [ 0.0005475400000000, -0.0004077500000000, 0.0003886700000000 ] - [ 0.0011148400000000, 0.0006185600000000, 0.0005366500000000 ] - [ -0.0016879400000000, 0.0012960000000000, -0.0010864800000000 ] - [ -0.0003217100000000, -0.0006144600000000, -0.0000734500000000 ] - [ -0.0004051600000000, -0.0000747600000000, 0.0007511500000000 ] - [ -0.0002115000000000, 0.0000685300000000, 0.0002428300000000 ] - [ 0.0000677300000000, -0.0001354600000000, -0.0001447900000000 ] - [ 0.0001860100000000, 0.0001171000000000, -0.0000187700000000 ] - [ -0.0017000600000000, 0.0000534600000000, 0.0060029700000000 ] - [ 0.0000013700000000, -0.0000469700000000, 0.0001471500000000 ] - [ -0.0047231700000000, 0.0017098000000000, -0.0012592200000000 ] - [ -0.0003773200000000, -0.0002789200000000, -0.0001871000000000 ] - [ 0.0017389400000000, -0.0007591100000000, 0.0002130900000000 ] - [ 0.0010881800000000, 0.0004832500000000, -0.0005152300000000 ] - [ -0.0047297400000000, -0.0000053700000000, 0.0099968800000000 ] - [ -0.0012642700000000, -0.0003141000000000, 0.0012274600000000 ] - [ 0.2255215100000000, 0.0036224600000000, -0.3019432200000000 ] - [ 0.0008980000000000, 0.0006567000000000, -0.0013977400000000 ] - [ 0.0089520500000000, -0.0103641800000000, -0.0073251300000000 ] - [ 0.0138283800000000, 0.0013043700000000, -0.0047968700000000 ] - [ 0.0182361300000000, -0.0030074800000000, 0.0076871100000000 ] - [ 0.0012500800000000, 0.0012033200000000, -0.0004573000000000 ] - [ -0.0075667400000000, -0.0040149400000000, 0.0023973600000000 ] - [ -0.0004729000000000, 0.0008873500000000, -0.0003549600000000 ] - [ -0.0051556600000000, 0.0015658300000000, 0.0051150000000000 ] - [ -0.0012449800000000, -0.0001330100000000, 0.0009462600000000 ] - [ 0.0023793700000000, 0.0023519600000000, 0.0007547300000000 ] - [ 0.0002929700000000, -0.0005336700000000, 0.0000575100000000 ] - [ -0.0005487200000000, -0.0002713800000000, 0.0006286100000000 ] - [ -0.0004132500000000, 0.0000677700000000, 0.0007478200000000 ] - [ -0.0015517000000000, 0.0004418300000000, 0.0012655700000000 ] - [ -0.0005285900000000, 0.0003000000000000, 0.0004578300000000 ] - [ -0.0010746900000000, 0.0005576400000000, 0.0017004700000000 ] - [ -0.0010372800000000, -0.0005641600000000, 0.0017304200000000 ] - [ 0.0002898500000000, -0.0010811100000000, -0.0037988600000000 ] - [ 0.0004169400000000, 0.0002533800000000, -0.0011313300000000 ] - [ -0.0093694600000000, 0.0383779700000000, 0.0377295100000000 ] - [ -0.0007998800000000, -0.0006015700000000, 0.0001861100000000 ] - [ 0.0026820100000000, -0.0000662100000000, 0.0000121000000000 ] - [ 0.0004610500000000, 0.0000309500000000, -0.0000026700000000 ] - [ -0.0140227300000000, -0.0017863800000000, -0.0171155600000000 ] - [ 0.0002678000000000, 0.0006288000000000, -0.0002379700000000 ] - [ 0.0262198900000000, 0.0019625300000000, 0.0020974900000000 ] - [ 0.0008049500000000, 0.0002747500000000, -0.0003243400000000 ] - [ -0.0004767200000000, 0.0000262700000000, 0.0009211000000000 ] - [ -0.0001941300000000, -0.0000783600000000, 0.0003649900000000 ] - [ -0.0015652500000000, 0.0006352400000000, 0.0008843000000000 ] - [ -0.0022334500000000, 0.0005913100000000, 0.0033798100000000 ] - [ -0.0017603100000000, -0.0004923800000000, 0.0009610600000000 ] - [ -0.0003842600000000, 0.0001566700000000, 0.0001626700000000 ] - [ -0.0002326400000000, 0.0005450600000000, 0.0009464900000000 ] - [ -0.0006823700000000, -0.0007418300000000, 0.0030406500000000 ] - [ -0.0054647500000000, 0.0053949500000000, 0.0007772700000000 ] - [ -0.0023745900000000, -0.0023247400000000, -0.0007044100000000 ] - [ -0.0626848700000000, -0.0556346200000000, 0.0179756500000000 ] - [ -0.0002888600000000, -0.0003099200000000, 0.0004499300000000 ] - [ -0.0020163300000000, 0.0003975500000000, 0.0003474100000000 ] - [ -0.0006313800000000, 0.0004076900000000, 0.0001869200000000 ] - [ -0.0075482800000000, 0.0040396500000000, 0.0033130500000000 ] - [ -0.0004682900000000, -0.0004979500000000, 0.0006789300000000 ] - [ -0.0098236700000000, -0.0045507400000000, -0.0133988400000000 ] - [ -0.0003011600000000, 0.0002614000000000, -0.0001568700000000 ] - [ 0.0031266100000000, 0.0015877200000000, 0.0009739500000000 ] - [ -0.0001095800000000, -0.0001274600000000, 0.0002156200000000 ] - [ -0.0063875000000000, -0.0032775200000000, 0.0055407800000000 ] - [ -0.0004554600000000, 0.0000100000000000, 0.0005431000000000 ] - [ -0.0262079900000000, 0.0264680600000000, 0.0161720200000000 ] - [ -0.0015459900000000, -0.0005884000000000, 0.0018790100000000 ] - [ 0.0051390500000000, -0.0008608000000000, -0.0030336500000000 ] - [ 0.0001328900000000, -0.0002116400000000, -0.0001774500000000 ] - [ -0.1326985700000000, 0.0209140800000000, 0.1277130400000000 ] - [ -0.0001363900000000, 0.0002100000000000, 0.0006627400000000 ] - [ -0.0011755200000000, -0.0006792200000000, -0.0004839900000000 ] - [ -0.0004017800000000, -0.0005776900000000, -0.0003578200000000 ] - [ -0.0027862200000000, -0.0005184800000000, 0.0016357500000000 ] - [ -0.0080462800000000, -0.0168724600000000, 0.0008945100000000 ] - [ -0.0033763800000000, 0.0004691900000000, -0.0016652000000000 ] - [ -0.0007350500000000, -0.0003464700000000, -0.0005065700000000 ] - [ 0.0010532100000000, -0.0006911800000000, -0.0000669300000000 ] - [ 0.0022249200000000, 0.0015306900000000, -0.0023582700000000 ] - [ 0.0000913700000000, 0.0003099200000000, -0.0010174100000000 ] - [ 0.0003316800000000, -0.0007661800000000, -0.0040164700000000 ] - [ 0.0003323100000000, -0.0011672800000000, 0.0018799800000000 ] - [ 0.0000442000000000, 0.0060297800000000, 0.0086655300000000 ] - [ -0.0028904700000000, -0.0038827000000000, 0.0087641100000000 ] - [ -0.0007660900000000, -0.0006848600000000, 0.0006808300000000 ] - [ 0.0026822700000000, 0.0005779000000000, 0.1073377100000000 ] - [ -0.0002483700000000, -0.0001344100000000, 0.0005231500000000 ] - [ 0.0068898900000000, -0.0043391800000000, -0.0097098800000000 ] - [ -0.0001488800000000, 0.0004509800000000, -0.0000998000000000 ] - [ 0.0024524500000000, 0.0018462800000000, -0.0041790200000000 ] - [ 0.0005837100000000, 0.0000259700000000, -0.0005524300000000 ] - [ 0.0000773500000000, 0.0001132400000000, -0.0010032100000000 ] - [ -0.0000607800000000, -0.0003393600000000, -0.0003555000000000 ] - [ 0.0009792700000000, 0.0004177300000000, 0.0000941600000000 ] - [ 0.0002430500000000, 0.0000737600000000, -0.0000326400000000 ] - [ 0.0032658500000000, -0.0006336500000000, -0.0030008100000000 ] - [ 0.0007822800000000, -0.0003283700000000, -0.0006023400000000 ] - [ 0.0010762200000000, -0.0011407700000000, -0.0004208100000000 ] - [ 0.0005919600000000, -0.0004446000000000, -0.0003395700000000 ] - [ 0.0002520400000000, -0.0002618900000000, -0.0008875000000000 ] - [ 0.0000648400000000, 0.0002295700000000, -0.0004125900000000 ] - [ 0.0020218400000000, 0.0011138500000000, 0.0013049900000000 ] - [ 0.0005777200000000, -0.0002519700000000, 0.0003485000000000 ] - [ 0.0023347600000000, 0.0015276500000000, -0.0014767000000000 ] - [ 0.0005798300000000, 0.0001440400000000, -0.0003023500000000 ] - [ 0.0006952800000000, -0.0000417500000000, -0.0004934300000000 ] - [ 0.0003563600000000, 0.0000174600000000, -0.0002847600000000 ] - [ -0.0009509900000000, -0.0001394600000000, 0.0005634000000000 ] - [ -0.0009926300000000, 0.0007355800000000, 0.0007995800000000 ] - [ 0.0005830500000000, -0.0002616100000000, -0.0006122200000000 ] - [ 0.0005365800000000, 0.0000000500000000, -0.0004141700000000 ] - [ 0.0014985000000000, -0.0005883400000000, -0.0019513400000000 ] - [ 0.0010446400000000, 0.0001427900000000, -0.0014804900000000 ] - [ 0.0003294500000000, -0.0000788400000000, -0.0005639400000000 ] - [ -0.0000577800000000, -0.0001493000000000, -0.0003866900000000 ] - [ 0.0007880600000000, -0.0007772500000000, -0.0010009000000000 ] - [ 0.0008970100000000, 0.0003861900000000, -0.0014176700000000 ] - [ -0.0007184600000000, 0.0003511700000000, 0.0003042700000000 ] - [ 0.0000969600000000, 0.0001775900000000, 0.0002113800000000 ] - [ -0.0043164100000000, -0.0011456700000000, -0.0045038000000000 ] - [ -0.0005296300000000, 0.0001895300000000, 0.0000263400000000 ] - [ 0.0015369700000000, -0.0003692000000000, -0.0004341900000000 ] - [ 0.0005770800000000, -0.0005150800000000, -0.0000239000000000 ] - [ 0.0007597900000000, 0.0005347500000000, -0.0008480800000000 ] - [ 0.0007625200000000, -0.0000764000000000, -0.0007523600000000 ] - [ 0.0004163400000000, -0.0001250900000000, -0.0002180900000000 ] - [ 0.0002968800000000, -0.0000400500000000, -0.0007023000000000 ] - [ -0.0000430100000000, -0.0002758200000000, -0.0005095000000000 ] - [ -0.0000121300000000, 0.0002254900000000, 0.0000212300000000 ] - [ -0.0006374800000000, -0.0007852700000000, 0.0002368600000000 ] - [ -0.0005197400000000, 0.0003187300000000, -0.0001338900000000 ]- atom: 21 displacement: [ 0.0066066504307377, 0.0000000000000000, -0.0075068082489187 ] forces: - [ -0.0013480600000000, -0.0038789800000000, 0.0000094200000000 ] - [ -0.0027336500000000, 0.0051489500000000, -0.0001649700000000 ] - [ 0.0042274600000000, 0.0042470000000000, -0.0040929700000000 ] - [ 0.0009322100000000, -0.0013558400000000, -0.0004719800000000 ] - [ -0.0002888500000000, 0.0004031200000000, -0.0004761800000000 ] - [ -0.0008551000000000, -0.0006193500000000, -0.0006224600000000 ] - [ 0.0013884000000000, -0.0013313400000000, 0.0011730700000000 ] - [ 0.0000254300000000, 0.0005878100000000, 0.0001456800000000 ] - [ 0.0001522500000000, 0.0000715500000000, -0.0006635100000000 ] - [ -0.0000440000000000, -0.0000711800000000, -0.0001562500000000 ] - [ 0.0002212800000000, 0.0001058100000000, 0.0000787100000000 ] - [ 0.0001031900000000, -0.0001442200000000, -0.0000496000000000 ] - [ 0.0019519800000000, -0.0000572600000000, -0.0061455100000000 ] - [ 0.0002516100000000, 0.0000443500000000, -0.0002320900000000 ] - [ 0.0044210700000000, -0.0017315900000000, 0.0013292700000000 ] - [ 0.0000853100000000, 0.0002506200000000, 0.0002547300000000 ] - [ -0.0017381100000000, 0.0008453900000000, -0.0002128800000000 ] - [ -0.0010870500000000, -0.0003879900000000, 0.0005166000000000 ] - [ 0.0042010900000000, 0.0002201100000000, -0.0098734200000000 ] - [ 0.0007443300000000, 0.0004947200000000, -0.0010807200000000 ] - [ -0.2153596500000000, -0.0075780500000000, 0.2956446200000000 ] - [ -0.0004454800000000, -0.0006355900000000, 0.0017668200000000 ] - [ -0.0088737100000000, 0.0106748400000000, 0.0071773800000000 ] - [ -0.0137799900000000, -0.0010270500000000, 0.0047677000000000 ] - [ -0.0185824700000000, 0.0030000800000000, -0.0080743700000000 ] - [ -0.0016921800000000, -0.0011829900000000, 0.0000820700000000 ] - [ 0.0081296100000000, 0.0042572900000000, -0.0025207300000000 ] - [ 0.0009907600000000, -0.0007052400000000, 0.0002168900000000 ] - [ 0.0051884700000000, -0.0015092100000000, -0.0051423200000000 ] - [ 0.0012446400000000, 0.0002307500000000, -0.0009447400000000 ] - [ -0.0029082900000000, -0.0021520900000000, -0.0005950600000000 ] - [ -0.0008183000000000, 0.0007192800000000, 0.0000973600000000 ] - [ 0.0009962500000000, 0.0002752900000000, -0.0002634500000000 ] - [ 0.0008598700000000, -0.0000595700000000, -0.0003813600000000 ] - [ 0.0015470900000000, -0.0001586900000000, -0.0012694200000000 ] - [ 0.0005270000000000, -0.0000163900000000, -0.0004586900000000 ] - [ 0.0006235000000000, -0.0005558500000000, -0.0020654500000000 ] - [ 0.0005878200000000, 0.0005754900000000, -0.0020993300000000 ] - [ 0.0002383200000000, 0.0012750400000000, 0.0036246600000000 ] - [ 0.0001070200000000, -0.0000672100000000, 0.0009754000000000 ] - [ 0.0087656200000000, -0.0383806100000000, -0.0373194800000000 ] - [ 0.0005346400000000, 0.0005341900000000, -0.0000626900000000 ] - [ -0.0034474800000000, 0.0002370400000000, 0.0001366600000000 ] - [ -0.0012351800000000, 0.0001416900000000, 0.0001510900000000 ] - [ 0.0142463800000000, 0.0016965600000000, 0.0169744300000000 ] - [ -0.0000092800000000, -0.0006836100000000, 0.0001201200000000 ] - [ -0.0253953500000000, -0.0018013900000000, -0.0022608500000000 ] - [ -0.0000312100000000, -0.0001022900000000, 0.0001782700000000 ] - [ 0.0001984300000000, -0.0001025900000000, -0.0007881000000000 ] - [ -0.0000791000000000, 0.0000037300000000, -0.0002329200000000 ] - [ 0.0007848400000000, -0.0004784700000000, -0.0007317200000000 ] - [ 0.0014590300000000, -0.0004160800000000, -0.0032471000000000 ] - [ 0.0020277300000000, 0.0004151800000000, -0.0010907200000000 ] - [ 0.0006559600000000, -0.0002314500000000, -0.0002936000000000 ] - [ 0.0010111700000000, -0.0003858100000000, -0.0010950200000000 ] - [ 0.0014629400000000, 0.0009221400000000, -0.0031966100000000 ] - [ 0.0050861600000000, -0.0054466400000000, -0.0005437000000000 ] - [ 0.0020327200000000, 0.0022394100000000, 0.0009193300000000 ] - [ 0.0633931700000000, 0.0571715800000000, -0.0172437800000000 ] - [ 0.0002489100000000, 0.0004975600000000, -0.0004299000000000 ] - [ 0.0018947200000000, -0.0000641400000000, -0.0003515400000000 ] - [ 0.0005099100000000, -0.0000735300000000, -0.0001917000000000 ] - [ 0.0073742300000000, -0.0047068900000000, -0.0024122700000000 ] - [ 0.0002825900000000, -0.0001626500000000, 0.0002060300000000 ] - [ 0.0098312900000000, 0.0047357900000000, 0.0133207800000000 ] - [ 0.0003306200000000, -0.0000576300000000, 0.0001366300000000 ] - [ -0.0029108700000000, -0.0014163000000000, -0.0011151000000000 ] - [ 0.0002952100000000, 0.0003054400000000, -0.0003321300000000 ] - [ 0.0065256800000000, 0.0036254700000000, -0.0055281000000000 ] - [ 0.0005804100000000, 0.0003258000000000, -0.0005383600000000 ] - [ 0.0261685000000000, -0.0261280500000000, -0.0162595800000000 ] - [ 0.0018738300000000, 0.0005181600000000, -0.0020922500000000 ] - [ -0.0055743100000000, 0.0008160800000000, 0.0031265100000000 ] - [ -0.0004995900000000, 0.0001574600000000, 0.0002425800000000 ] - [ 0.1250609500000000, -0.0185605000000000, -0.1196715300000000 ] - [ 0.0005170300000000, -0.0001765700000000, -0.0007236800000000 ] - [ 0.0013569800000000, 0.0000229700000000, -0.0003975300000000 ] - [ 0.0005827000000000, -0.0000819900000000, -0.0005261300000000 ] - [ 0.0023195400000000, 0.0000115400000000, -0.0019997200000000 ] - [ 0.0075640800000000, 0.0162645500000000, -0.0012922300000000 ] - [ 0.0034435000000000, -0.0006892900000000, 0.0015994300000000 ] - [ 0.0008166000000000, 0.0001249100000000, 0.0004425800000000 ] - [ -0.0004221600000000, 0.0009961500000000, 0.0002681800000000 ] - [ -0.0015973600000000, -0.0012551900000000, 0.0025752100000000 ] - [ -0.0007291800000000, -0.0000170400000000, 0.0008096000000000 ] - [ -0.0009622000000000, 0.0010573700000000, 0.0038190200000000 ] - [ 0.0001285700000000, 0.0006375000000000, -0.0014668600000000 ] - [ 0.0003989500000000, -0.0065085500000000, -0.0082487200000000 ] - [ 0.0025341000000000, 0.0039331700000000, -0.0086741700000000 ] - [ 0.0003874400000000, 0.0007152300000000, -0.0006217300000000 ] - [ -0.0044064000000000, -0.0008977400000000, -0.1098150200000000 ] - [ 0.0001655700000000, -0.0000874600000000, -0.0004491200000000 ] - [ -0.0071096700000000, 0.0045783400000000, 0.0099057700000000 ] - [ -0.0000401500000000, -0.0002708800000000, 0.0002266600000000 ] - [ -0.0020914500000000, -0.0019027800000000, 0.0041196900000000 ] - [ -0.0002178500000000, -0.0000717800000000, 0.0004832000000000 ] - [ -0.0004123300000000, -0.0002006100000000, 0.0012197100000000 ] - [ -0.0002757200000000, 0.0002497200000000, 0.0005636200000000 ] - [ -0.0010119500000000, -0.0002111900000000, -0.0000703400000000 ] - [ -0.0002795500000000, 0.0001304400000000, 0.0000552400000000 ] - [ -0.0034082900000000, 0.0009625200000000, 0.0030129100000000 ] - [ -0.0009072100000000, 0.0006697400000000, 0.0006003200000000 ] - [ -0.0012705100000000, 0.0004963600000000, 0.0013051200000000 ] - [ -0.0007799800000000, -0.0002155300000000, 0.0012217800000000 ] - [ -0.0002206800000000, 0.0004749500000000, 0.0008665400000000 ] - [ -0.0000322700000000, -0.0000233800000000, 0.0003892600000000 ] - [ -0.0018411900000000, -0.0009328100000000, -0.0014023500000000 ] - [ -0.0004007300000000, 0.0004305700000000, -0.0004571000000000 ] - [ -0.0022272300000000, -0.0012069400000000, 0.0014821700000000 ] - [ -0.0004493700000000, 0.0001962600000000, 0.0003035600000000 ] - [ -0.0003613100000000, -0.0000408300000000, 0.0002820200000000 ] - [ -0.0000235400000000, -0.0001007700000000, 0.0000767200000000 ] - [ 0.0005746100000000, 0.0000855000000000, -0.0004906000000000 ] - [ 0.0006216900000000, -0.0007834200000000, -0.0007278900000000 ] - [ -0.0002038000000000, 0.0003002000000000, 0.0005545100000000 ] - [ -0.0001585300000000, 0.0000353800000000, 0.0003557500000000 ] - [ -0.0013155100000000, -0.0000573200000000, 0.0010705000000000 ] - [ -0.0008622500000000, -0.0008032500000000, 0.0006024100000000 ] - [ -0.0007690800000000, -0.0004123300000000, 0.0001756600000000 ] - [ -0.0003784900000000, -0.0003394000000000, -0.0000007100000000 ] - [ -0.0006989600000000, 0.0005626400000000, 0.0009483300000000 ] - [ -0.0008110000000000, -0.0006123800000000, 0.0013626900000000 ] - [ 0.0013406900000000, -0.0000533100000000, -0.0000945700000000 ] - [ 0.0005341800000000, 0.0001150200000000, -0.0000003500000000 ] - [ 0.0036545100000000, 0.0014204200000000, 0.0042464400000000 ] - [ -0.0001069500000000, 0.0000980100000000, -0.0002407800000000 ] - [ -0.0010945400000000, -0.0001233700000000, 0.0008237100000000 ] - [ -0.0001416800000000, 0.0000257600000000, 0.0004116100000000 ] - [ -0.0011305800000000, -0.0004942300000000, 0.0008996100000000 ] - [ -0.0011394100000000, 0.0001132900000000, 0.0008087500000000 ] - [ -0.0005035300000000, -0.0000939800000000, 0.0002823000000000 ] - [ -0.0003832800000000, -0.0001833100000000, 0.0007686400000000 ] - [ -0.0001335000000000, 0.0004525500000000, 0.0006293600000000 ] - [ -0.0001669900000000, -0.0000462500000000, 0.0000968500000000 ] - [ 0.0010044400000000, 0.0007471000000000, -0.0003129000000000 ] - [ 0.0008868300000000, -0.0003607500000000, 0.0000605400000000 ]- atom: 23 displacement: [ 0.0099999989202427, 0.0000000000000000, 0.0000046470576681 ] forces: - [ -0.0027019500000000, 0.0000922200000000, 0.0037939600000000 ] - [ -0.0003412900000000, 0.0001249100000000, 0.0001301600000000 ] - [ 0.0084357800000000, -0.0046424700000000, -0.0044840800000000 ] - [ 0.0005296600000000, 0.0010229700000000, -0.0004041100000000 ] - [ -0.0024641800000000, -0.0000906200000000, 0.0036950700000000 ] - [ -0.0000863500000000, -0.0001319100000000, 0.0000439200000000 ] - [ 0.0082382500000000, 0.0046615200000000, -0.0044636800000000 ] - [ 0.0002367500000000, -0.0010524600000000, -0.0003356800000000 ] - [ 0.0000518500000000, 0.0000464600000000, -0.0001957700000000 ] - [ -0.0000987300000000, -0.0000510900000000, -0.0002468700000000 ] - [ 0.0005311600000000, 0.0003968600000000, 0.0002038900000000 ] - [ 0.0028101900000000, -0.0010306900000000, 0.0009137100000000 ] - [ 0.0003067200000000, -0.0000499400000000, -0.0002732200000000 ] - [ 0.0001577500000000, 0.0000459300000000, -0.0003284600000000 ] - [ 0.0002420100000000, -0.0004207100000000, 0.0002720100000000 ] - [ 0.0025191600000000, 0.0009989600000000, 0.0009804100000000 ] - [ 0.0000296600000000, 0.0000451200000000, 0.0008135100000000 ] - [ 0.0013722200000000, 0.0000448100000000, 0.0037890100000000 ] - [ 0.0000634400000000, -0.0005679100000000, -0.0012380800000000 ] - [ 0.0020808600000000, 0.0014887600000000, -0.0090523500000000 ] - [ -0.0061407900000000, -0.0012158000000000, 0.0064228700000000 ] - [ -0.0136749900000000, 0.0018700800000000, 0.0063358600000000 ] - [ -0.4135343400000000, 0.0064299100000000, -0.0170039600000000 ] - [ -0.0030158500000000, 0.0001374700000000, 0.0005021900000000 ] - [ -0.0066887800000000, 0.0011323300000000, 0.0060252900000000 ] - [ -0.0141298000000000, -0.0018559600000000, 0.0059678300000000 ] - [ 0.0005808600000000, 0.0007621700000000, -0.0013920600000000 ] - [ 0.0026079900000000, -0.0013232200000000, -0.0092345200000000 ] - [ 0.0008789500000000, 0.0000531300000000, -0.0032207900000000 ] - [ 0.0020802300000000, 0.0000430700000000, -0.0026065600000000 ] - [ 0.0016312600000000, 0.0004176700000000, 0.0031345500000000 ] - [ 0.0003924300000000, -0.0002073600000000, 0.0011487100000000 ] - [ 0.0020344200000000, 0.0000876900000000, -0.0002912700000000 ] - [ 0.0007746400000000, 0.0000060800000000, -0.0000376700000000 ] - [ 0.0014557100000000, 0.0001473100000000, 0.0000176300000000 ] - [ 0.0014554100000000, 0.0001398600000000, 0.0000646900000000 ] - [ 0.0015803200000000, -0.0000697400000000, -0.0006526900000000 ] - [ 0.0003216500000000, 0.0000182400000000, -0.0004033200000000 ] - [ 0.0021495000000000, -0.0002257400000000, 0.0029607000000000 ] - [ 0.0009165500000000, 0.0003925400000000, 0.0009901200000000 ] - [ -0.0003800600000000, -0.0021664000000000, -0.0018295300000000 ] - [ 0.0125807300000000, 0.0412786900000000, -0.0201958600000000 ] - [ -0.0027196600000000, 0.0017663300000000, 0.0015163400000000 ] - [ -0.0011134700000000, -0.0008881200000000, 0.0013092200000000 ] - [ -0.0001298700000000, 0.0020900200000000, -0.0019777500000000 ] - [ 0.0130206600000000, -0.0415652500000000, -0.0202999100000000 ] - [ -0.0019136600000000, -0.0015825800000000, 0.0013730200000000 ] - [ -0.0003318000000000, 0.0010574800000000, 0.0011615600000000 ] - [ 0.0019854200000000, 0.0001735000000000, -0.0002089300000000 ] - [ 0.0004815700000000, -0.0003096800000000, 0.0000617100000000 ] - [ 0.0004683600000000, -0.0003383900000000, -0.0034853900000000 ] - [ -0.0001315900000000, -0.0000157100000000, -0.0006141500000000 ] - [ 0.0022450100000000, -0.0002494800000000, -0.0003365200000000 ] - [ 0.0007510400000000, 0.0002317900000000, -0.0000681500000000 ] - [ 0.0012492300000000, 0.0005088100000000, -0.0036321600000000 ] - [ 0.0006440100000000, 0.0001870500000000, -0.0007663900000000 ] - [ 0.0237991800000000, -0.0089473300000000, -0.0176668200000000 ] - [ 0.0021547800000000, -0.0007610500000000, -0.0005533400000000 ] - [ 0.0012922800000000, -0.0002195900000000, 0.0005154100000000 ] - [ 0.0137892200000000, 0.0084999400000000, 0.0085391700000000 ] - [ -0.0002605900000000, -0.0012749800000000, -0.0021330000000000 ] - [ -0.0001461900000000, 0.0004432900000000, -0.0006058500000000 ] - [ 0.0002273800000000, -0.0000476400000000, -0.0001234400000000 ] - [ -0.0007236600000000, -0.0009663600000000, -0.0016228900000000 ] - [ 0.0013151700000000, 0.0004664400000000, 0.0004917300000000 ] - [ 0.0137637100000000, -0.0082674300000000, 0.0084788700000000 ] - [ 0.0002004600000000, -0.0005140700000000, 0.0005072100000000 ] - [ -0.0068829600000000, 0.0055787000000000, 0.0075958400000000 ] - [ -0.0001473500000000, 0.0015903500000000, -0.0021152700000000 ] - [ -0.0000252000000000, -0.0001138800000000, -0.0006000500000000 ] - [ 0.0238807800000000, 0.0083855000000000, -0.0173168700000000 ] - [ 0.0024885500000000, 0.0006747600000000, -0.0007724700000000 ] - [ -0.0004318700000000, -0.0002613500000000, 0.0013311500000000 ] - [ -0.0009143400000000, 0.0018359600000000, 0.0027267400000000 ] - [ 0.0023339000000000, 0.0028848000000000, -0.0016112500000000 ] - [ 0.0024518200000000, -0.0148216200000000, -0.0043057700000000 ] - [ 0.0004166200000000, -0.0006053200000000, -0.0010047400000000 ] - [ -0.0005407600000000, 0.0003145000000000, -0.0025083900000000 ] - [ 0.1613345700000000, 0.0747363700000000, 0.0268320000000000 ] - [ 0.0008468400000000, 0.0010230800000000, -0.0003387500000000 ] - [ 0.0024646200000000, 0.0014886300000000, 0.0022426900000000 ] - [ 0.0023582800000000, -0.0000538700000000, -0.0000664800000000 ] - [ 0.0000834500000000, -0.0001865300000000, 0.0044214400000000 ] - [ 0.0002992800000000, 0.0000194400000000, 0.0007983800000000 ] - [ -0.0005485600000000, 0.0004819300000000, 0.0041948500000000 ] - [ -0.0003348400000000, 0.0002695000000000, 0.0005788000000000 ] - [ 0.1694217800000000, -0.0808573100000000, 0.0284958400000000 ] - [ 0.0012926500000000, -0.0015155600000000, 0.0000588400000000 ] - [ 0.0019991800000000, -0.0028517200000000, -0.0015573900000000 ] - [ 0.0020580800000000, 0.0148565500000000, -0.0042491400000000 ] - [ 0.0023519900000000, -0.0016913800000000, 0.0022678400000000 ] - [ 0.0022796100000000, -0.0001672800000000, -0.0000054900000000 ] - [ 0.0000082100000000, 0.0006879100000000, 0.0006379800000000 ] - [ -0.0070636400000000, -0.0053729500000000, 0.0077284800000000 ] - [ -0.0000609600000000, 0.0002092000000000, 0.0012552200000000 ] - [ -0.0005383600000000, -0.0018812400000000, 0.0026532400000000 ] - [ -0.0004945000000000, -0.0000762600000000, 0.0001464900000000 ] - [ -0.0008045000000000, -0.0001519900000000, 0.0001109600000000 ] - [ -0.0013268300000000, -0.0001667200000000, -0.0002932600000000 ] - [ -0.0004786200000000, -0.0000134800000000, -0.0001334200000000 ] - [ -0.0004692500000000, 0.0004237500000000, 0.0005014100000000 ] - [ -0.0020621400000000, 0.0010828900000000, 0.0025392800000000 ] - [ -0.0007998400000000, -0.0001827200000000, 0.0022982600000000 ] - [ -0.0004477800000000, -0.0002852600000000, 0.0011619000000000 ] - [ -0.0012898600000000, 0.0003689200000000, -0.0003131700000000 ] - [ -0.0004396300000000, 0.0002178700000000, -0.0001524300000000 ] - [ -0.0020152700000000, 0.0005597900000000, -0.0010690600000000 ] - [ -0.0004711900000000, -0.0002282100000000, -0.0003956100000000 ] - [ -0.0003525000000000, -0.0000994200000000, 0.0005098800000000 ] - [ -0.0019392000000000, -0.0007529800000000, 0.0025464300000000 ] - [ -0.0001597300000000, -0.0000121100000000, -0.0000663200000000 ] - [ -0.0004724400000000, 0.0000720400000000, -0.0001036700000000 ] - [ -0.0005789000000000, -0.0004624700000000, -0.0014511800000000 ] - [ -0.0002112200000000, -0.0001763000000000, -0.0003703800000000 ] - [ -0.0012660500000000, 0.0000586300000000, 0.0004096100000000 ] - [ -0.0001806700000000, 0.0001458900000000, 0.0001717200000000 ] - [ -0.0006150900000000, -0.0004716200000000, 0.0014072200000000 ] - [ -0.0002650300000000, -0.0003669300000000, 0.0002781800000000 ] - [ -0.0012567500000000, -0.0007971600000000, 0.0000072600000000 ] - [ -0.0009789100000000, -0.0001259700000000, -0.0001799100000000 ] - [ -0.0001109200000000, -0.0000293400000000, 0.0003378800000000 ] - [ -0.0001303100000000, -0.0001220300000000, 0.0000787200000000 ] - [ 0.0003426700000000, 0.0001525500000000, -0.0010803200000000 ] - [ 0.0002323100000000, 0.0003454600000000, -0.0007884600000000 ] - [ -0.0002957800000000, 0.0001323400000000, -0.0013091000000000 ] - [ -0.0003974400000000, -0.0000506400000000, -0.0010055700000000 ] - [ -0.0008160400000000, 0.0003060200000000, 0.0003983200000000 ] - [ -0.0005413800000000, -0.0003619200000000, 0.0002107300000000 ] - [ -0.0016452700000000, -0.0000194500000000, 0.0004693900000000 ] - [ -0.0005646100000000, -0.0001081700000000, 0.0002308600000000 ] - [ -0.0001852300000000, -0.0001900300000000, 0.0004078500000000 ] - [ -0.0001995800000000, -0.0000970700000000, 0.0001482200000000 ] - [ -0.0022070500000000, -0.0003862800000000, -0.0009527500000000 ] - [ -0.0006505900000000, 0.0004053300000000, -0.0002769100000000 ] - [ -0.0002051000000000, 0.0004195000000000, -0.0015291100000000 ] - [ 0.0001628800000000, 0.0001266900000000, -0.0004423000000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005162500000000, -0.0051877100000000, 0.0018040300000000 ] - [ -0.0002725100000000, 0.0022860000000000, -0.0003305600000000 ] - [ -0.0041282000000000, -0.0043358400000000, 0.0000628300000000 ] - [ 0.0009024100000000, 0.0023763800000000, -0.0002264500000000 ] - [ 0.0005162500000000, -0.0051877100000000, -0.0018040300000000 ] - [ 0.0002725100000000, 0.0022860000000000, 0.0003305600000000 ] - [ 0.0041282000000000, -0.0043358400000000, -0.0000628300000000 ] - [ -0.0009024100000000, 0.0023763800000000, 0.0002264500000000 ] - [ -0.0005490500000000, -0.0000744600000000, 0.0014573500000000 ] - [ -0.0001935700000000, 0.0003317400000000, -0.0007852100000000 ] - [ 0.0013751500000000, 0.0006879300000000, 0.0000633700000000 ] - [ -0.0020859700000000, -0.0000145300000000, -0.0007757600000000 ] - [ 0.0005490500000000, -0.0000744600000000, -0.0014573500000000 ] - [ 0.0001935700000000, 0.0003317400000000, 0.0007852100000000 ] - [ -0.0013751500000000, 0.0006879300000000, -0.0000633700000000 ] - [ 0.0020859700000000, -0.0000145300000000, 0.0007757600000000 ] - [ 0.0000000000000000, 0.0041225100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0039077700000000, 0.0000000000000000 ] - [ -0.0024054800000000, 0.0019656500000000, 0.0030919100000000 ] - [ 0.0034376100000000, -0.0021039900000000, -0.0074124800000000 ] - [ -0.0080385100000000, 0.0352825700000000, -0.0212760000000000 ] - [ 0.0062743800000000, 0.0171771500000000, 0.0070761200000000 ] - [ 0.0000000000000000, -0.3356052100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0130195600000000, 0.0000000000000000 ] - [ 0.0080385100000000, 0.0352825700000000, 0.0212760000000000 ] - [ -0.0062743800000000, 0.0171771500000000, -0.0070761200000000 ] - [ 0.0024054800000000, 0.0019656500000000, -0.0030919100000000 ] - [ -0.0034376100000000, -0.0021039900000000, 0.0074124800000000 ] - [ 0.0000000000000000, -0.0041749600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0045223800000000, 0.0000000000000000 ] - [ 0.0010276200000000, -0.0035213200000000, -0.0014924200000000 ] - [ -0.0010560600000000, 0.0030589400000000, 0.0001579000000000 ] - [ -0.0002723300000000, -0.0014438300000000, 0.0001467300000000 ] - [ 0.0004414000000000, 0.0014124800000000, 0.0005859800000000 ] - [ 0.0000000000000000, 0.0000915900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001017100000000, 0.0000000000000000 ] - [ 0.0002723300000000, -0.0014438300000000, -0.0001467300000000 ] - [ -0.0004414000000000, 0.0014124800000000, -0.0005859800000000 ] - [ -0.0010276200000000, -0.0035213200000000, 0.0014924200000000 ] - [ 0.0010560600000000, 0.0030589400000000, -0.0001579000000000 ] - [ -0.0034734900000000, 0.0108243800000000, 0.0026606800000000 ] - [ 0.0259912600000000, 0.0246557100000000, -0.0046294600000000 ] - [ 0.0059306600000000, -0.0006814600000000, 0.0025560500000000 ] - [ -0.0036762700000000, 0.0009273000000000, -0.0013472000000000 ] - [ 0.0034734900000000, 0.0108243800000000, -0.0026606800000000 ] - [ -0.0259912600000000, 0.0246557100000000, 0.0046294600000000 ] - [ -0.0059306600000000, -0.0006814600000000, -0.0025560500000000 ] - [ 0.0036762700000000, 0.0009273000000000, 0.0013472000000000 ] - [ 0.0003800000000000, -0.0011072600000000, -0.0003436500000000 ] - [ -0.0006422600000000, 0.0010536600000000, 0.0002457200000000 ] - [ 0.0002497300000000, -0.0029003900000000, 0.0012660300000000 ] - [ -0.0003249600000000, 0.0026595000000000, -0.0010178700000000 ] - [ -0.0003800000000000, -0.0011072600000000, 0.0003436500000000 ] - [ 0.0006422600000000, 0.0010536600000000, -0.0002457200000000 ] - [ -0.0002497300000000, -0.0029003900000000, -0.0012660300000000 ] - [ 0.0003249600000000, 0.0026595000000000, 0.0010178700000000 ] - [ -0.0095891400000000, 0.0717543200000000, 0.0736629000000000 ] - [ -0.0005418400000000, -0.0081861000000000, -0.0013733400000000 ] - [ -0.0024698700000000, -0.0066297900000000, 0.0009490800000000 ] - [ 0.0012540900000000, -0.0121934700000000, -0.0086388100000000 ] - [ -0.0023609500000000, 0.0022641500000000, -0.0001264600000000 ] - [ 0.0010788200000000, -0.0014179800000000, 0.0001146900000000 ] - [ 0.0016466200000000, -0.0020680300000000, 0.0010365500000000 ] - [ -0.0010651200000000, 0.0005282500000000, -0.0006677300000000 ] - [ 0.0024698700000000, -0.0066297900000000, -0.0009490800000000 ] - [ -0.0012540900000000, -0.0121934700000000, 0.0086388100000000 ] - [ -0.0031139700000000, -0.0020087500000000, 0.0023260900000000 ] - [ 0.0081949600000000, -0.0016082200000000, -0.0056452600000000 ] - [ 0.0023609500000000, 0.0022641500000000, 0.0001264600000000 ] - [ -0.0010788200000000, -0.0014179800000000, -0.0001146900000000 ] - [ 0.0095891400000000, 0.0717543200000000, -0.0736629000000000 ] - [ 0.0005418400000000, -0.0081861000000000, 0.0013733400000000 ] - [ -0.0014673400000000, 0.0005681400000000, 0.0012086100000000 ] - [ 0.0007752900000000, -0.0019070800000000, -0.0019653800000000 ] - [ 0.0060357100000000, -0.0111856400000000, -0.0019232700000000 ] - [ -0.0028015100000000, -0.0059948000000000, -0.0024481800000000 ] - [ -0.0016466200000000, -0.0020680300000000, -0.0010365500000000 ] - [ 0.0010651200000000, 0.0005282500000000, 0.0006677300000000 ] - [ 0.0794834700000000, 0.0662860000000000, 0.0076438000000000 ] - [ -0.0012477400000000, -0.0076076100000000, 0.0009053200000000 ] - [ -0.0050374500000000, -0.0031191700000000, -0.0072975700000000 ] - [ 0.0032942500000000, -0.0020032100000000, 0.0035153800000000 ] - [ -0.0000046200000000, 0.0028781200000000, -0.0021214500000000 ] - [ 0.0001548700000000, -0.0015023100000000, 0.0016128600000000 ] - [ 0.0000046200000000, 0.0028781200000000, 0.0021214500000000 ] - [ -0.0001548700000000, -0.0015023100000000, -0.0016128600000000 ] - [ -0.0794834700000000, 0.0662860000000000, -0.0076438000000000 ] - [ 0.0012477400000000, -0.0076076100000000, -0.0009053200000000 ] - [ -0.0060357100000000, -0.0111856400000000, 0.0019232700000000 ] - [ 0.0028015100000000, -0.0059948000000000, 0.0024481800000000 ] - [ 0.0050374500000000, -0.0031191700000000, 0.0072975700000000 ] - [ -0.0032942500000000, -0.0020032100000000, -0.0035153800000000 ] - [ 0.0031139700000000, -0.0020087500000000, -0.0023260900000000 ] - [ -0.0081949600000000, -0.0016082200000000, 0.0056452600000000 ] - [ 0.0014673400000000, 0.0005681400000000, -0.0012086100000000 ] - [ -0.0007752900000000, -0.0019070800000000, 0.0019653800000000 ] - [ -0.0002679800000000, -0.0005726400000000, 0.0002727100000000 ] - [ -0.0000535800000000, 0.0005050300000000, 0.0000949600000000 ] - [ 0.0004159500000000, 0.0008558000000000, -0.0001088000000000 ] - [ -0.0004211200000000, -0.0006141100000000, -0.0001251500000000 ] - [ 0.0008929000000000, -0.0011696200000000, -0.0004162300000000 ] - [ -0.0016462700000000, 0.0018629900000000, 0.0011289600000000 ] - [ -0.0006581000000000, 0.0021678400000000, 0.0007465500000000 ] - [ 0.0006734500000000, -0.0028246800000000, 0.0002788900000000 ] - [ -0.0004159500000000, 0.0008558000000000, 0.0001088000000000 ] - [ 0.0004211200000000, -0.0006141100000000, 0.0001251500000000 ] - [ 0.0006555900000000, 0.0013776100000000, -0.0007745000000000 ] - [ -0.0004922700000000, -0.0008757500000000, 0.0000197500000000 ] - [ -0.0008929000000000, -0.0011696200000000, 0.0004162300000000 ] - [ 0.0016462700000000, 0.0018629900000000, -0.0011289600000000 ] - [ 0.0002679800000000, -0.0005726400000000, -0.0002727100000000 ] - [ 0.0000535800000000, 0.0005050300000000, -0.0000949600000000 ] - [ -0.0004032500000000, 0.0025482500000000, 0.0002628600000000 ] - [ 0.0000397700000000, -0.0024696800000000, -0.0006131900000000 ] - [ 0.0004100000000000, 0.0010311400000000, 0.0003199800000000 ] - [ 0.0001922100000000, -0.0008764000000000, -0.0003721700000000 ] - [ 0.0006581000000000, 0.0021678400000000, -0.0007465500000000 ] - [ -0.0006734500000000, -0.0028246800000000, -0.0002788900000000 ] - [ -0.0004121000000000, 0.0002353600000000, -0.0003089000000000 ] - [ 0.0001095100000000, -0.0007881400000000, -0.0000599000000000 ] - [ -0.0006522200000000, 0.0009676700000000, -0.0002803400000000 ] - [ 0.0002150100000000, -0.0010347500000000, 0.0003880900000000 ] - [ -0.0004272700000000, 0.0011257800000000, -0.0019336400000000 ] - [ 0.0007771000000000, -0.0007120400000000, 0.0013726700000000 ] - [ 0.0004272700000000, 0.0011257800000000, 0.0019336400000000 ] - [ -0.0007771000000000, -0.0007120400000000, -0.0013726700000000 ] - [ 0.0004121000000000, 0.0002353600000000, 0.0003089000000000 ] - [ -0.0001095100000000, -0.0007881400000000, 0.0000599000000000 ] - [ -0.0004100000000000, 0.0010311400000000, -0.0003199800000000 ] - [ -0.0001922100000000, -0.0008764000000000, 0.0003721700000000 ] - [ 0.0006522200000000, 0.0009676700000000, 0.0002803400000000 ] - [ -0.0002150100000000, -0.0010347500000000, -0.0003880900000000 ] - [ -0.0006555900000000, 0.0013776100000000, 0.0007745000000000 ] - [ 0.0004922700000000, -0.0008757500000000, -0.0000197500000000 ] - [ 0.0004032500000000, 0.0025482500000000, -0.0002628600000000 ] - [ -0.0000397700000000, -0.0024696800000000, 0.0006131900000000 ]- atom: 23 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002607900000000, 0.0052161800000000, -0.0016866700000000 ] - [ 0.0000141600000000, -0.0022959300000000, 0.0004095300000000 ] - [ 0.0044390200000000, 0.0042862800000000, -0.0001386400000000 ] - [ -0.0006204900000000, -0.0024051800000000, 0.0001597000000000 ] - [ -0.0002607900000000, 0.0052161800000000, 0.0016866700000000 ] - [ -0.0000141600000000, -0.0022959300000000, -0.0004095300000000 ] - [ -0.0044390200000000, 0.0042862800000000, 0.0001386400000000 ] - [ 0.0006204900000000, -0.0024051800000000, -0.0001597000000000 ] - [ 0.0002947900000000, 0.0000683400000000, -0.0013773900000000 ] - [ -0.0000639500000000, -0.0003322900000000, 0.0008764000000000 ] - [ -0.0010783900000000, -0.0007167000000000, -0.0001304500000000 ] - [ 0.0023719700000000, -0.0000002300000000, 0.0007059200000000 ] - [ -0.0002947900000000, 0.0000683400000000, 0.0013773900000000 ] - [ 0.0000639500000000, -0.0003322900000000, -0.0008764000000000 ] - [ 0.0010783900000000, -0.0007167000000000, 0.0001304500000000 ] - [ -0.0023719700000000, -0.0000002300000000, -0.0007059200000000 ] - [ 0.0000000000000000, -0.0040411900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0040283500000000, 0.0000000000000000 ] - [ 0.0018795600000000, -0.0017958800000000, -0.0029234200000000 ] - [ -0.0039954200000000, 0.0023127500000000, 0.0075762400000000 ] - [ 0.0085116800000000, -0.0352056300000000, 0.0213169200000000 ] - [ -0.0059289900000000, -0.0172949400000000, -0.0067633300000000 ] - [ 0.0000000000000000, 0.3334446900000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0127695800000000, 0.0000000000000000 ] - [ -0.0085116800000000, -0.0352056300000000, -0.0213169200000000 ] - [ 0.0059289900000000, -0.0172949400000000, 0.0067633300000000 ] - [ -0.0018795600000000, -0.0017958800000000, 0.0029234200000000 ] - [ 0.0039954200000000, 0.0023127500000000, -0.0075762400000000 ] - [ 0.0000000000000000, 0.0042713500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0044305400000000, 0.0000000000000000 ] - [ -0.0015600300000000, 0.0037065000000000, 0.0016476600000000 ] - [ 0.0005397100000000, -0.0028775200000000, -0.0000027400000000 ] - [ 0.0007195800000000, 0.0014566900000000, 0.0002228000000000 ] - [ 0.0000051100000000, -0.0014112100000000, -0.0002095300000000 ] - [ 0.0000000000000000, 0.0001830800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001932500000000, 0.0000000000000000 ] - [ -0.0007195800000000, 0.0014566900000000, -0.0002228000000000 ] - [ -0.0000051100000000, -0.0014112100000000, 0.0002095300000000 ] - [ 0.0015600300000000, 0.0037065000000000, -0.0016476600000000 ] - [ -0.0005397100000000, -0.0028775200000000, 0.0000027400000000 ] - [ 0.0032056900000000, -0.0108744900000000, -0.0024763200000000 ] - [ -0.0266541900000000, -0.0247039100000000, 0.0047208200000000 ] - [ -0.0067246200000000, 0.0008459800000000, -0.0024076700000000 ] - [ 0.0029322600000000, -0.0007451300000000, 0.0015053400000000 ] - [ -0.0032056900000000, -0.0108744900000000, 0.0024763200000000 ] - [ 0.0266541900000000, -0.0247039100000000, -0.0047208200000000 ] - [ 0.0067246200000000, 0.0008459800000000, 0.0024076700000000 ] - [ -0.0029322600000000, -0.0007451300000000, -0.0015053400000000 ] - [ -0.0006547100000000, 0.0010308400000000, 0.0004779100000000 ] - [ 0.0003769200000000, -0.0011273900000000, -0.0001180000000000 ] - [ -0.0010281200000000, 0.0030784400000000, -0.0011198500000000 ] - [ -0.0004525100000000, -0.0024914400000000, 0.0011639100000000 ] - [ 0.0006547100000000, 0.0010308400000000, -0.0004779100000000 ] - [ -0.0003769200000000, -0.0011273900000000, 0.0001180000000000 ] - [ 0.0010281200000000, 0.0030784400000000, 0.0011198500000000 ] - [ 0.0004525100000000, -0.0024914400000000, -0.0011639100000000 ] - [ 0.0088561300000000, -0.0703950500000000, -0.0702787700000000 ] - [ 0.0002016800000000, 0.0081342000000000, 0.0015915100000000 ] - [ 0.0024471700000000, 0.0068714400000000, -0.0009032400000000 ] - [ -0.0013743300000000, 0.0125044400000000, 0.0087312000000000 ] - [ 0.0022463100000000, -0.0019253400000000, 0.0001231700000000 ] - [ -0.0012145900000000, 0.0017530700000000, -0.0001227400000000 ] - [ -0.0018415700000000, 0.0014318200000000, -0.0001542300000000 ] - [ 0.0008923500000000, -0.0012012100000000, 0.0015527700000000 ] - [ -0.0024471700000000, 0.0068714400000000, 0.0009032400000000 ] - [ 0.0013743300000000, 0.0125044400000000, -0.0087312000000000 ] - [ 0.0032885100000000, 0.0021908200000000, -0.0024332400000000 ] - [ -0.0080233700000000, 0.0017413300000000, 0.0054807900000000 ] - [ -0.0022463100000000, -0.0019253400000000, -0.0001231700000000 ] - [ 0.0012145900000000, 0.0017530700000000, 0.0001227400000000 ] - [ -0.0088561300000000, -0.0703950500000000, 0.0702787700000000 ] - [ -0.0002016800000000, 0.0081342000000000, -0.0015915100000000 ] - [ 0.0010993600000000, -0.0005987200000000, -0.0011332100000000 ] - [ -0.0011558900000000, 0.0018577900000000, 0.0020404600000000 ] - [ -0.0056493600000000, 0.0111858300000000, 0.0018969400000000 ] - [ 0.0032270200000000, 0.0060257100000000, 0.0023965600000000 ] - [ 0.0018415700000000, 0.0014318200000000, 0.0001542300000000 ] - [ -0.0008923500000000, -0.0012012100000000, -0.0015527700000000 ] - [ -0.0824491800000000, -0.0671757000000000, -0.0084387300000000 ] - [ 0.0008025700000000, 0.0071189600000000, -0.0013053000000000 ] - [ 0.0051557600000000, 0.0029407800000000, 0.0072690200000000 ] - [ -0.0032481100000000, 0.0017904200000000, -0.0036077700000000 ] - [ 0.0006367200000000, -0.0025983500000000, 0.0023410500000000 ] - [ 0.0004769700000000, 0.0017968900000000, -0.0013928700000000 ] - [ -0.0006367200000000, -0.0025983500000000, -0.0023410500000000 ] - [ -0.0004769700000000, 0.0017968900000000, 0.0013928700000000 ] - [ 0.0824491800000000, -0.0671757000000000, 0.0084387300000000 ] - [ -0.0008025700000000, 0.0071189600000000, 0.0013053000000000 ] - [ 0.0056493600000000, 0.0111858300000000, -0.0018969400000000 ] - [ -0.0032270200000000, 0.0060257100000000, -0.0023965600000000 ] - [ -0.0051557600000000, 0.0029407800000000, -0.0072690200000000 ] - [ 0.0032481100000000, 0.0017904200000000, 0.0036077700000000 ] - [ -0.0032885100000000, 0.0021908200000000, 0.0024332400000000 ] - [ 0.0080233700000000, 0.0017413300000000, -0.0054807900000000 ] - [ -0.0010993600000000, -0.0005987200000000, 0.0011332100000000 ] - [ 0.0011558900000000, 0.0018577900000000, -0.0020404600000000 ] - [ -0.0000684800000000, 0.0004850100000000, -0.0000646400000000 ] - [ -0.0002810600000000, -0.0005847400000000, 0.0001228700000000 ] - [ -0.0004587300000000, -0.0006537900000000, 0.0001273700000000 ] - [ 0.0003925300000000, 0.0008260600000000, 0.0001431700000000 ] - [ -0.0010122200000000, 0.0015086400000000, 0.0004092500000000 ] - [ 0.0015267700000000, -0.0015343400000000, -0.0011344400000000 ] - [ 0.0004757200000000, -0.0028244000000000, 0.0001345100000000 ] - [ -0.0008579800000000, 0.0021724900000000, 0.0006064500000000 ] - [ 0.0004587300000000, -0.0006537900000000, -0.0001273700000000 ] - [ -0.0003925300000000, 0.0008260600000000, -0.0001431700000000 ] - [ -0.0004806600000000, -0.0011945500000000, 0.0006544600000000 ] - [ 0.0006796600000000, 0.0010549500000000, -0.0001344400000000 ] - [ 0.0010122200000000, 0.0015086400000000, -0.0004092500000000 ] - [ -0.0015267700000000, -0.0015343400000000, 0.0011344400000000 ] - [ 0.0000684800000000, 0.0004850100000000, 0.0000646400000000 ] - [ 0.0002810600000000, -0.0005847400000000, -0.0001228700000000 ] - [ 0.0000319000000000, -0.0025966500000000, -0.0001898600000000 ] - [ -0.0004061600000000, 0.0024253200000000, 0.0006813900000000 ] - [ -0.0000271400000000, -0.0009933100000000, -0.0003811800000000 ] - [ 0.0001783500000000, 0.0009179700000000, 0.0003215200000000 ] - [ -0.0004757200000000, -0.0028244000000000, -0.0001345100000000 ] - [ 0.0008579800000000, 0.0021724900000000, -0.0006064500000000 ] - [ -0.0000204100000000, -0.0007166100000000, -0.0000799600000000 ] - [ -0.0005578900000000, 0.0002918500000000, -0.0003303100000000 ] - [ 0.0007288500000000, -0.0011891600000000, 0.0002086600000000 ] - [ -0.0001374600000000, 0.0008178500000000, -0.0004434500000000 ] - [ 0.0010606100000000, -0.0008323400000000, 0.0021550000000000 ] - [ -0.0001518100000000, 0.0010067600000000, -0.0011671700000000 ] - [ -0.0010606100000000, -0.0008323400000000, -0.0021550000000000 ] - [ 0.0001518100000000, 0.0010067600000000, 0.0011671700000000 ] - [ 0.0000204100000000, -0.0007166100000000, 0.0000799600000000 ] - [ 0.0005578900000000, 0.0002918500000000, 0.0003303100000000 ] - [ 0.0000271400000000, -0.0009933100000000, 0.0003811800000000 ] - [ -0.0001783500000000, 0.0009179700000000, -0.0003215200000000 ] - [ -0.0007288500000000, -0.0011891600000000, -0.0002086600000000 ] - [ 0.0001374600000000, 0.0008178500000000, 0.0004434500000000 ] - [ 0.0004806600000000, -0.0011945500000000, -0.0006544600000000 ] - [ -0.0006796600000000, 0.0010549500000000, 0.0001344400000000 ] - [ -0.0000319000000000, -0.0025966500000000, 0.0001898600000000 ] - [ 0.0004061600000000, 0.0024253200000000, -0.0006813900000000 ]- atom: 23 displacement: [ -0.0066066504307377, 0.0000000000000000, 0.0075068082489187 ] forces: - [ 0.0039962900000000, 0.0024113300000000, 0.0049567200000000 ] - [ 0.0002630300000000, -0.0007258900000000, 0.0003081300000000 ] - [ -0.0086123200000000, 0.0034219300000000, 0.0011338200000000 ] - [ -0.0003297600000000, -0.0006891800000000, -0.0000117500000000 ] - [ 0.0042920800000000, -0.0024120600000000, 0.0048837100000000 ] - [ 0.0005217300000000, 0.0007178000000000, 0.0002232200000000 ] - [ -0.0088287900000000, -0.0034171100000000, 0.0012125000000000 ] - [ -0.0006214100000000, 0.0006594600000000, 0.0000609400000000 ] - [ -0.0007067600000000, 0.0003102300000000, 0.0013953800000000 ] - [ -0.0002999800000000, -0.0002162400000000, 0.0006643900000000 ] - [ 0.0002565000000000, -0.0001721600000000, -0.0002490900000000 ] - [ -0.0013343400000000, 0.0005853400000000, -0.0006882200000000 ] - [ -0.0004561100000000, -0.0003116700000000, 0.0013136900000000 ] - [ -0.0000470300000000, 0.0002097300000000, 0.0005781500000000 ] - [ -0.0000338900000000, 0.0001452300000000, -0.0001834100000000 ] - [ -0.0016175800000000, -0.0006097000000000, -0.0006238900000000 ] - [ 0.0019361800000000, 0.0000420500000000, 0.0010505600000000 ] - [ 0.0014719900000000, 0.0000487100000000, -0.0012784200000000 ] - [ -0.0025307300000000, 0.0016343700000000, 0.0009784400000000 ] - [ -0.0055145200000000, -0.0024430900000000, 0.0055409800000000 ] - [ 0.0157397900000000, -0.0292311900000000, -0.0012903000000000 ] - [ 0.0136383500000000, 0.0046139600000000, -0.0049080100000000 ] - [ 0.2604726600000000, -0.0017622400000000, -0.2230978700000000 ] - [ 0.0023722200000000, 0.0001355900000000, -0.0045448800000000 ] - [ 0.0152606100000000, 0.0291686900000000, -0.0016182100000000 ] - [ 0.0132601400000000, -0.0046190600000000, -0.0052840300000000 ] - [ -0.0020085500000000, -0.0014388500000000, 0.0008271600000000 ] - [ -0.0049679000000000, 0.0026031700000000, 0.0053778700000000 ] - [ -0.0034490400000000, 0.0000545600000000, 0.0038213900000000 ] - [ -0.0024431500000000, 0.0000377100000000, 0.0022861200000000 ] - [ 0.0020741400000000, -0.0000190600000000, -0.0009169200000000 ] - [ 0.0001793900000000, 0.0003736200000000, -0.0003605900000000 ] - [ -0.0007826700000000, -0.0001488500000000, 0.0019253700000000 ] - [ -0.0001177600000000, 0.0000909600000000, 0.0008012800000000 ] - [ -0.0009132400000000, 0.0001425700000000, 0.0006730400000000 ] - [ -0.0009492400000000, 0.0001398000000000, 0.0006415700000000 ] - [ -0.0012340300000000, 0.0001549800000000, 0.0015597100000000 ] - [ -0.0005632900000000, -0.0000863800000000, 0.0004440200000000 ] - [ 0.0026128200000000, 0.0002086900000000, -0.0010814600000000 ] - [ 0.0007059200000000, -0.0001918700000000, -0.0005238500000000 ] - [ -0.0045851700000000, -0.0010332800000000, -0.0067375800000000 ] - [ -0.0160209300000000, -0.0257098600000000, 0.0041479800000000 ] - [ 0.0067021700000000, -0.0006452800000000, 0.0015116800000000 ] - [ 0.0014633300000000, 0.0002176700000000, -0.0001352400000000 ] - [ -0.0043363900000000, 0.0009558300000000, -0.0068760500000000 ] - [ -0.0156911800000000, 0.0255736800000000, 0.0042266200000000 ] - [ 0.0074934200000000, 0.0008193200000000, 0.0013685400000000 ] - [ 0.0022278600000000, -0.0000426400000000, -0.0002835800000000 ] - [ -0.0010661300000000, -0.0000885400000000, 0.0006056900000000 ] - [ -0.0003905700000000, 0.0001757500000000, 0.0002819000000000 ] - [ -0.0020543800000000, 0.0002119800000000, 0.0042772600000000 ] - [ -0.0009295300000000, 0.0001281700000000, 0.0011211000000000 ] - [ -0.0007906400000000, 0.0000159700000000, 0.0004698600000000 ] - [ -0.0001187100000000, -0.0002537000000000, 0.0001497900000000 ] - [ -0.0012680000000000, -0.0000349900000000, 0.0041517200000000 ] - [ -0.0001494500000000, 0.0000395700000000, 0.0009715500000000 ] - [ -0.0291598500000000, 0.0572059700000000, 0.1056843100000000 ] - [ -0.0018004800000000, 0.0021710900000000, 0.0019100500000000 ] - [ 0.0029572500000000, 0.0078407900000000, 0.0026770200000000 ] - [ -0.0063451300000000, -0.0115949500000000, -0.0031177400000000 ] - [ -0.0032625000000000, 0.0012742400000000, 0.0005342500000000 ] - [ -0.0007804300000000, 0.0003176300000000, 0.0004118600000000 ] - [ -0.0023864400000000, 0.0008752700000000, 0.0002318400000000 ] - [ -0.0008332500000000, -0.0000765600000000, 0.0013039700000000 ] - [ 0.0029683100000000, -0.0075918500000000, 0.0026459900000000 ] - [ -0.0063614900000000, 0.0118804600000000, -0.0030945300000000 ] - [ 0.0005917600000000, 0.0002240500000000, 0.0014377700000000 ] - [ 0.0037271600000000, -0.0018964200000000, -0.0016927200000000 ] - [ -0.0031477200000000, -0.0009375400000000, 0.0005346200000000 ] - [ -0.0006552700000000, 0.0000206100000000, 0.0004153600000000 ] - [ -0.0290135600000000, -0.0540649100000000, 0.1020556900000000 ] - [ -0.0014592500000000, -0.0022386200000000, 0.0016937600000000 ] - [ 0.0015488900000000, 0.0004533700000000, -0.0016938200000000 ] - [ 0.0011629800000000, -0.0016095200000000, -0.0019332800000000 ] - [ -0.0044319800000000, 0.0044881200000000, 0.0097081900000000 ] - [ -0.0020604300000000, 0.0095643100000000, 0.0052868400000000 ] - [ -0.0021945100000000, -0.0015297700000000, -0.0006510600000000 ] - [ -0.0006479300000000, -0.0005862600000000, 0.0004278400000000 ] - [ -0.0910426600000000, -0.0470983100000000, -0.0007710800000000 ] - [ -0.0004088500000000, -0.0009262000000000, 0.0021229300000000 ] - [ -0.0066984200000000, -0.0048858200000000, -0.0071199200000000 ] - [ -0.0028492400000000, 0.0008331100000000, -0.0004775300000000 ] - [ 0.0023914700000000, -0.0004349700000000, -0.0040770100000000 ] - [ 0.0008899000000000, 0.0004344700000000, -0.0006774400000000 ] - [ 0.0017628500000000, 0.0007289000000000, -0.0043154400000000 ] - [ 0.0002503900000000, -0.0001445100000000, -0.0008854700000000 ] - [ -0.0889468300000000, 0.0452827600000000, 0.0006498000000000 ] - [ 0.0000308400000000, 0.0004379800000000, 0.0025094200000000 ] - [ -0.0047860700000000, -0.0044503300000000, 0.0097414900000000 ] - [ -0.0024568900000000, -0.0095721800000000, 0.0053317900000000 ] - [ -0.0068275000000000, 0.0046864200000000, -0.0070974800000000 ] - [ -0.0029235900000000, -0.0010512800000000, -0.0004054900000000 ] - [ 0.0004089900000000, -0.0000465400000000, 0.0015612700000000 ] - [ 0.0035485000000000, 0.0020905700000000, -0.0015376900000000 ] - [ 0.0019093000000000, -0.0005148300000000, -0.0017611500000000 ] - [ 0.0015280000000000, 0.0015733500000000, -0.0020050400000000 ] - [ -0.0000112700000000, -0.0000090000000000, -0.0002888700000000 ] - [ 0.0001241700000000, -0.0002341600000000, -0.0003956800000000 ] - [ 0.0004598900000000, 0.0002352700000000, -0.0003904300000000 ] - [ 0.0001409400000000, 0.0001589100000000, -0.0001163900000000 ] - [ 0.0008660500000000, -0.0002562600000000, -0.0005864900000000 ] - [ 0.0024439000000000, -0.0007685700000000, -0.0022607800000000 ] - [ 0.0014547100000000, -0.0009017800000000, -0.0014112100000000 ] - [ 0.0005280400000000, -0.0005384900000000, -0.0002114800000000 ] - [ 0.0004949500000000, -0.0000289000000000, -0.0004136500000000 ] - [ 0.0001704200000000, 0.0000525500000000, -0.0001404500000000 ] - [ 0.0007517300000000, -0.0002297700000000, 0.0007570200000000 ] - [ 0.0002967000000000, 0.0002936100000000, 0.0000793800000000 ] - [ 0.0009868000000000, 0.0005932600000000, -0.0005847400000000 ] - [ 0.0025607100000000, 0.0011104900000000, -0.0022649400000000 ] - [ 0.0003230700000000, -0.0000816000000000, -0.0004892700000000 ] - [ 0.0004575500000000, 0.0001499000000000, -0.0006030600000000 ] - [ -0.0011947700000000, 0.0001027400000000, 0.0003772800000000 ] - [ -0.0006925000000000, 0.0001016400000000, 0.0000285300000000 ] - [ 0.0012436700000000, -0.0001882700000000, -0.0007775000000000 ] - [ 0.0004549900000000, -0.0001474300000000, -0.0003500100000000 ] - [ 0.0016523200000000, 0.0002416600000000, -0.0022839400000000 ] - [ 0.0007243600000000, -0.0001102700000000, -0.0010849800000000 ] - [ 0.0004035300000000, 0.0001377900000000, -0.0005276400000000 ] - [ 0.0002378400000000, -0.0003037100000000, -0.0003645900000000 ] - [ 0.0007874500000000, -0.0002553100000000, -0.0015411000000000 ] - [ 0.0003939900000000, -0.0000259100000000, -0.0004372600000000 ] - [ -0.0014372600000000, 0.0006869000000000, -0.0012816000000000 ] - [ -0.0001395600000000, 0.0002573800000000, 0.0000646000000000 ] - [ -0.0020755400000000, -0.0003984000000000, -0.0014972300000000 ] - [ -0.0007726000000000, 0.0000329800000000, -0.0001453200000000 ] - [ 0.0008305000000000, -0.0006287700000000, -0.0001444100000000 ] - [ 0.0006692800000000, -0.0001858300000000, 0.0000204500000000 ] - [ 0.0008694800000000, 0.0002256800000000, -0.0007192400000000 ] - [ 0.0000798600000000, 0.0001901900000000, -0.0002975600000000 ] - [ 0.0006893000000000, 0.0000327900000000, -0.0014799000000000 ] - [ 0.0003009100000000, -0.0001934300000000, -0.0003712000000000 ] - [ 0.0005785700000000, 0.0004100500000000, 0.0008658400000000 ] - [ 0.0001224900000000, -0.0001133800000000, 0.0001965000000000 ] - [ -0.0008261600000000, -0.0001513500000000, 0.0003065900000000 ] - [ -0.0003222600000000, -0.0001407900000000, -0.0000459000000000 ]- atom: 41 displacement: [ 0.0099999989202427, 0.0000000000000000, 0.0000046470576681 ] forces: - [ 0.0001395500000000, -0.0000253800000000, -0.0003240700000000 ] - [ 0.0002799200000000, 0.0001255900000000, -0.0014771500000000 ] - [ -0.0013283300000000, 0.0045506300000000, 0.0008119900000000 ] - [ -0.0014307800000000, -0.0045155600000000, 0.0013260400000000 ] - [ 0.0000086500000000, -0.0008683100000000, 0.0008209000000000 ] - [ 0.0009129300000000, 0.0023595300000000, 0.0030395700000000 ] - [ 0.0007376900000000, -0.0005850200000000, -0.0010662200000000 ] - [ 0.0007359800000000, 0.0003843200000000, -0.0008166700000000 ] - [ -0.0014535600000000, -0.0000559700000000, 0.0013433400000000 ] - [ -0.0005574400000000, -0.0001829500000000, 0.0003306900000000 ] - [ 0.0015461800000000, 0.0001918200000000, -0.0002024500000000 ] - [ 0.0005769900000000, -0.0000861500000000, -0.0002119000000000 ] - [ 0.0014412800000000, 0.0005812800000000, -0.0007051600000000 ] - [ 0.0006093600000000, -0.0002999400000000, -0.0003479700000000 ] - [ 0.0047664100000000, 0.0000678000000000, 0.0063304500000000 ] - [ -0.0004506300000000, -0.0000648600000000, 0.0003946600000000 ] - [ 0.0010506400000000, 0.0012470800000000, 0.0020249400000000 ] - [ 0.0001401600000000, -0.0001525900000000, 0.0004218500000000 ] - [ -0.0053557800000000, 0.0027570800000000, -0.0423883500000000 ] - [ -0.0011712400000000, -0.0003335100000000, 0.0008959800000000 ] - [ 0.0000948900000000, -0.0114583900000000, -0.0119199100000000 ] - [ 0.0000380800000000, 0.0016758700000000, -0.0008671300000000 ] - [ -0.0002573000000000, -0.0031877500000000, -0.0061855500000000 ] - [ 0.0127336300000000, 0.0265815500000000, -0.0098987900000000 ] - [ 0.0290979800000000, -0.0267167200000000, 0.0068163400000000 ] - [ 0.0004901500000000, 0.0023987800000000, 0.0006270100000000 ] - [ 0.0024735200000000, 0.0002147700000000, -0.0070316200000000 ] - [ 0.0007449600000000, -0.0001319500000000, -0.0017370700000000 ] - [ 0.0038517700000000, 0.0040625200000000, -0.0042886100000000 ] - [ -0.0001707800000000, -0.0027259200000000, -0.0016938400000000 ] - [ 0.0018995300000000, -0.0003354800000000, -0.0003306700000000 ] - [ 0.0008942000000000, 0.0002989400000000, -0.0004469800000000 ] - [ 0.0004339700000000, 0.0000416800000000, 0.0002969800000000 ] - [ 0.0006453100000000, -0.0003347000000000, 0.0001060600000000 ] - [ 0.0021090700000000, 0.0006562700000000, 0.0006246300000000 ] - [ 0.0006148500000000, -0.0003644900000000, 0.0002042700000000 ] - [ 0.0005566500000000, 0.0002411100000000, -0.0001889100000000 ] - [ 0.0029445600000000, -0.0007293300000000, 0.0000979200000000 ] - [ 0.0000617100000000, -0.0003910700000000, 0.0026943300000000 ] - [ -0.0005492600000000, -0.0001485400000000, 0.0020558200000000 ] - [ -0.2994225800000000, -0.0001809800000000, 0.0045183600000000 ] - [ -0.0019988000000000, -0.0004661500000000, 0.0009500000000000 ] - [ 0.0056772500000000, -0.0002394800000000, 0.0028607600000000 ] - [ 0.0001150700000000, 0.0001834900000000, 0.0009097200000000 ] - [ 0.0059530500000000, 0.0015470800000000, -0.0067779800000000 ] - [ 0.0008847600000000, -0.0005707200000000, -0.0015146900000000 ] - [ 0.0002949200000000, 0.0004259300000000, -0.0001484700000000 ] - [ 0.0001772900000000, -0.0000130400000000, -0.0003037800000000 ] - [ 0.0012247700000000, 0.0002143500000000, -0.0005113000000000 ] - [ 0.0012263800000000, -0.0003673000000000, -0.0000654900000000 ] - [ 0.0004874000000000, 0.0014645700000000, -0.0007097500000000 ] - [ 0.0034067600000000, -0.0065522700000000, -0.0042400700000000 ] - [ 0.0000456300000000, 0.0013557500000000, 0.0011451300000000 ] - [ 0.0000460400000000, -0.0017439900000000, 0.0013343700000000 ] - [ -0.0006472200000000, 0.0012547200000000, 0.0002977200000000 ] - [ 0.0004367400000000, 0.0002354500000000, -0.0057203200000000 ] - [ -0.0000479800000000, 0.0099296600000000, 0.0037546300000000 ] - [ -0.0004258900000000, -0.0036924000000000, -0.0009046300000000 ] - [ -0.0001947900000000, 0.0018356200000000, 0.0039350900000000 ] - [ -0.0001226800000000, 0.0000587000000000, 0.0006003000000000 ] - [ -0.0022570900000000, 0.0012406300000000, -0.0002861000000000 ] - [ -0.0006742800000000, -0.0000564000000000, -0.0002754600000000 ] - [ 0.0000309800000000, -0.0005529700000000, -0.0004812300000000 ] - [ -0.0000520900000000, -0.0002793300000000, 0.0003626100000000 ] - [ 0.0732898500000000, -0.0051239000000000, 0.0347563500000000 ] - [ 0.0008571500000000, -0.0001839300000000, -0.0001404600000000 ] - [ -0.0032886100000000, -0.0003980200000000, 0.0040026500000000 ] - [ -0.0008211800000000, 0.0002191300000000, 0.0012077300000000 ] - [ 0.0002064300000000, 0.0003535600000000, -0.0000479400000000 ] - [ 0.0005980200000000, 0.0001410700000000, -0.0000337800000000 ] - [ 0.0029614000000000, -0.0022748600000000, 0.0007951600000000 ] - [ 0.0005398000000000, -0.0006821900000000, 0.0008249800000000 ] - [ -0.0013279500000000, 0.0002477000000000, 0.0025788500000000 ] - [ -0.0005402800000000, 0.0009401300000000, 0.0010557000000000 ] - [ 0.0437256500000000, 0.0111798500000000, 0.0060949500000000 ] - [ 0.0009296000000000, -0.0003158900000000, -0.0003232100000000 ] - [ -0.0019537200000000, -0.0014089600000000, -0.0015072600000000 ] - [ -0.0001708600000000, -0.0003650600000000, -0.0006868300000000 ] - [ 0.0011511100000000, 0.0008219200000000, 0.0001536400000000 ] - [ 0.0417968800000000, -0.0013262900000000, 0.0009864700000000 ] - [ -0.0086118100000000, 0.0034934200000000, -0.0068214500000000 ] - [ -0.0004194900000000, -0.0004882100000000, -0.0008721400000000 ] - [ 0.0000271500000000, -0.0002187200000000, 0.0009884500000000 ] - [ -0.0006953500000000, 0.0007526600000000, 0.0044236600000000 ] - [ 0.0003281200000000, -0.0001328500000000, -0.0004554800000000 ] - [ 0.0046226800000000, 0.0028133800000000, 0.0111824100000000 ] - [ -0.0005563000000000, 0.0013280000000000, 0.0015134700000000 ] - [ -0.0029583300000000, -0.0028939700000000, 0.0034969700000000 ] - [ -0.0064807600000000, 0.0011082600000000, 0.0038123300000000 ] - [ -0.0006483800000000, -0.0005203100000000, 0.0004617800000000 ] - [ 0.0007235300000000, 0.0001456600000000, 0.0003971300000000 ] - [ 0.0001361700000000, -0.0002964400000000, 0.0006731600000000 ] - [ 0.1060419400000000, -0.0037455100000000, -0.0222676500000000 ] - [ 0.0011823500000000, 0.0000935600000000, -0.0007550000000000 ] - [ 0.0014631800000000, -0.0086506600000000, 0.0098378400000000 ] - [ 0.0007009900000000, 0.0010696200000000, -0.0002617600000000 ] - [ -0.0011513300000000, -0.0003625800000000, -0.0001350500000000 ] - [ -0.0004391200000000, 0.0000032600000000, 0.0001237400000000 ] - [ -0.0003486100000000, -0.0002410900000000, -0.0007085600000000 ] - [ -0.0001656100000000, 0.0005084300000000, -0.0005269800000000 ] - [ -0.0092474000000000, 0.0042195200000000, 0.0097265800000000 ] - [ 0.0000491400000000, -0.0000742400000000, 0.0000090600000000 ] - [ 0.0003596200000000, -0.0022794700000000, 0.0018054700000000 ] - [ -0.0004783000000000, 0.0008011600000000, 0.0019070700000000 ] - [ -0.0007712600000000, 0.0000311300000000, -0.0000082000000000 ] - [ -0.0012992100000000, 0.0006994000000000, -0.0002162800000000 ] - [ 0.0003872800000000, -0.0005349400000000, -0.0017667600000000 ] - [ 0.0005189800000000, 0.0008438100000000, -0.0015934100000000 ] - [ -0.0006256600000000, -0.0001299700000000, 0.0023227600000000 ] - [ 0.0000046900000000, -0.0001631800000000, 0.0002319100000000 ] - [ -0.0004008300000000, -0.0000913700000000, -0.0004182200000000 ] - [ 0.0000467700000000, 0.0001361800000000, -0.0002955000000000 ] - [ -0.0001809200000000, 0.0000150600000000, -0.0006203700000000 ] - [ -0.0002295600000000, -0.0003397400000000, -0.0014445700000000 ] - [ -0.0001445900000000, 0.0000266900000000, 0.0001988200000000 ] - [ -0.0003833600000000, 0.0002562200000000, 0.0004070100000000 ] - [ -0.0009230500000000, -0.0021034200000000, 0.0003309300000000 ] - [ -0.0000410900000000, 0.0021792200000000, 0.0008817700000000 ] - [ -0.0011529500000000, -0.0007755300000000, -0.0000209800000000 ] - [ -0.0006507700000000, -0.0001422200000000, -0.0001535100000000 ] - [ -0.0005881400000000, -0.0004058500000000, 0.0000255600000000 ] - [ -0.0024818000000000, 0.0011223000000000, 0.0001524400000000 ] - [ -0.0007907700000000, 0.0006732700000000, -0.0029820400000000 ] - [ 0.0003463800000000, 0.0003193300000000, -0.0008910600000000 ] - [ -0.0010376200000000, -0.0000390600000000, -0.0001924100000000 ] - [ -0.0006311700000000, 0.0001370300000000, 0.0001359800000000 ] - [ -0.0011031700000000, -0.0013780600000000, -0.0005439400000000 ] - [ -0.0000750600000000, 0.0005383700000000, 0.0000629700000000 ] - [ -0.0004459200000000, -0.0004109100000000, -0.0000880200000000 ] - [ -0.0019313100000000, 0.0014356600000000, -0.0006563100000000 ] - [ 0.0005310100000000, -0.0001812100000000, -0.0002071600000000 ] - [ 0.0016967900000000, -0.0000181600000000, 0.0010539800000000 ] - [ -0.0013939000000000, 0.0002936200000000, 0.0006825400000000 ] - [ -0.0011789300000000, 0.0000916900000000, 0.0005143200000000 ] - [ -0.0002344000000000, 0.0003308500000000, -0.0000531500000000 ] - [ -0.0002929300000000, -0.0004463200000000, 0.0000146800000000 ]- atom: 41 displacement: [ -0.0099999989202427, 0.0000000000000000, -0.0000046470576681 ] forces: - [ -0.0003987900000000, 0.0000257200000000, 0.0004133300000000 ] - [ -0.0005428700000000, -0.0001309100000000, 0.0015763800000000 ] - [ 0.0016387800000000, -0.0046048600000000, -0.0008890100000000 ] - [ 0.0017422700000000, 0.0045169700000000, -0.0013994800000000 ] - [ 0.0002508800000000, 0.0008661700000000, -0.0009068500000000 ] - [ -0.0006448700000000, -0.0023630700000000, -0.0031204900000000 ] - [ -0.0010328700000000, 0.0005550400000000, 0.0011376100000000 ] - [ -0.0010328400000000, -0.0004071500000000, 0.0008878400000000 ] - [ 0.0012056700000000, 0.0000498100000000, -0.0012608800000000 ] - [ 0.0003034400000000, 0.0001815100000000, -0.0002487200000000 ] - [ -0.0012555500000000, -0.0002183300000000, 0.0001383600000000 ] - [ -0.0002885800000000, 0.0000602100000000, 0.0001452400000000 ] - [ -0.0011926800000000, -0.0005864200000000, 0.0006280600000000 ] - [ -0.0003555000000000, 0.0002969200000000, 0.0002683300000000 ] - [ -0.0051237000000000, -0.0000942500000000, -0.0063319700000000 ] - [ 0.0001632100000000, 0.0000385800000000, -0.0003276200000000 ] - [ -0.0010417900000000, -0.0011648600000000, -0.0020290000000000 ] - [ -0.0001340100000000, 0.0002483000000000, -0.0004247400000000 ] - [ 0.0046509400000000, -0.0025574400000000, 0.0427854300000000 ] - [ 0.0006505900000000, 0.0005181800000000, -0.0007498100000000 ] - [ 0.0001577200000000, 0.0114164500000000, 0.0122447200000000 ] - [ 0.0004194100000000, -0.0017103500000000, 0.0012439000000000 ] - [ 0.0002469300000000, 0.0034898500000000, 0.0061523500000000 ] - [ -0.0128579900000000, -0.0260598900000000, 0.0098164200000000 ] - [ -0.0293223200000000, 0.0265524300000000, -0.0069231200000000 ] - [ -0.0009392100000000, -0.0024137600000000, -0.0009984300000000 ] - [ -0.0019661800000000, -0.0000243200000000, 0.0068812900000000 ] - [ -0.0002308600000000, 0.0003154800000000, 0.0015923300000000 ] - [ -0.0038936000000000, -0.0040059400000000, 0.0043181500000000 ] - [ 0.0001627500000000, 0.0028393200000000, 0.0016950400000000 ] - [ -0.0024220900000000, 0.0005310600000000, 0.0004960400000000 ] - [ -0.0014185900000000, -0.0001087800000000, 0.0006092300000000 ] - [ 0.0000087500000000, -0.0000351100000000, 0.0000715400000000 ] - [ -0.0002002100000000, 0.0003455900000000, 0.0002632400000000 ] - [ -0.0021209800000000, -0.0003764700000000, -0.0006210000000000 ] - [ -0.0006176200000000, 0.0006523100000000, -0.0002032400000000 ] - [ -0.0010044100000000, -0.0002348600000000, -0.0001750600000000 ] - [ -0.0034010000000000, 0.0007366500000000, -0.0004483400000000 ] - [ 0.0004781000000000, 0.0005805600000000, -0.0028660700000000 ] - [ 0.0010834300000000, 0.0003435800000000, -0.0022248400000000 ] - [ 0.3038832200000000, 0.0000096800000000, -0.0137189500000000 ] - [ 0.0017387600000000, 0.0003879000000000, -0.0008334600000000 ] - [ -0.0064798700000000, 0.0004015300000000, -0.0027180700000000 ] - [ -0.0008954300000000, -0.0000108000000000, -0.0007673700000000 ] - [ -0.0056588600000000, -0.0016187300000000, 0.0066174700000000 ] - [ -0.0006271000000000, 0.0004928800000000, 0.0013876000000000 ] - [ 0.0005129000000000, -0.0002548900000000, 0.0000176700000000 ] - [ 0.0006062200000000, 0.0001863700000000, 0.0001595600000000 ] - [ -0.0015028200000000, -0.0002945900000000, 0.0006466700000000 ] - [ -0.0015029900000000, 0.0002952500000000, 0.0001997800000000 ] - [ -0.0012686500000000, -0.0013049200000000, 0.0008633600000000 ] - [ -0.0041979900000000, 0.0067271600000000, 0.0044006500000000 ] - [ 0.0002246000000000, -0.0014422400000000, -0.0012825100000000 ] - [ 0.0002235300000000, 0.0016795200000000, -0.0014705300000000 ] - [ 0.0014309100000000, -0.0010938000000000, -0.0004504400000000 ] - [ 0.0003373000000000, -0.0000639000000000, 0.0056341400000000 ] - [ -0.0002870900000000, -0.0099923600000000, -0.0035282900000000 ] - [ 0.0001208500000000, 0.0036445900000000, 0.0011511500000000 ] - [ 0.0002051000000000, -0.0016150100000000, -0.0038796200000000 ] - [ 0.0001024900000000, 0.0001606700000000, -0.0005704500000000 ] - [ 0.0021314300000000, -0.0009048200000000, 0.0002826400000000 ] - [ 0.0005512700000000, 0.0003922400000000, 0.0002731400000000 ] - [ -0.0002310000000000, -0.0000990300000000, 0.0013609800000000 ] - [ -0.0001357300000000, -0.0003798400000000, 0.0005149100000000 ] - [ -0.0698672400000000, 0.0046670500000000, -0.0310362000000000 ] - [ -0.0008297200000000, 0.0003932800000000, 0.0001150000000000 ] - [ 0.0034714000000000, 0.0005771000000000, -0.0041157900000000 ] - [ 0.0010082500000000, -0.0000379700000000, -0.0013394800000000 ] - [ -0.0001073000000000, -0.0000223200000000, 0.0000472900000000 ] - [ -0.0004872600000000, 0.0001953300000000, 0.0000352700000000 ] - [ -0.0025765100000000, 0.0021618100000000, -0.0010031300000000 ] - [ -0.0001522800000000, 0.0006506700000000, -0.0010696100000000 ] - [ 0.0009685000000000, -0.0003007100000000, -0.0025173700000000 ] - [ 0.0001777800000000, -0.0009886200000000, -0.0009882700000000 ] - [ -0.0432500500000000, -0.0106290600000000, -0.0055823600000000 ] - [ -0.0005603700000000, 0.0003700900000000, 0.0002817400000000 ] - [ 0.0021430600000000, 0.0007556200000000, 0.0006257300000000 ] - [ 0.0003574800000000, -0.0002953200000000, -0.0001916700000000 ] - [ -0.0015980900000000, -0.0013262100000000, -0.0005306800000000 ] - [ -0.0423020500000000, 0.0003808700000000, -0.0010292500000000 ] - [ 0.0087697200000000, -0.0037675600000000, 0.0068254300000000 ] - [ 0.0005074000000000, 0.0002715800000000, 0.0008105100000000 ] - [ 0.0006131800000000, 0.0005090400000000, -0.0007822100000000 ] - [ 0.0013328100000000, -0.0004583800000000, -0.0042158000000000 ] - [ -0.0009641000000000, 0.0004284400000000, 0.0002500100000000 ] - [ -0.0052480500000000, -0.0025335700000000, -0.0114893600000000 ] - [ 0.0010036000000000, -0.0018262700000000, -0.0011244200000000 ] - [ 0.0034033500000000, 0.0023673300000000, -0.0030973700000000 ] - [ 0.0060860800000000, -0.0010544500000000, -0.0037688500000000 ] - [ 0.0002720300000000, 0.0005663600000000, -0.0004071200000000 ] - [ -0.0007955200000000, -0.0003649700000000, -0.0003906700000000 ] - [ -0.0002271700000000, 0.0000790100000000, -0.0006167800000000 ] - [ -0.1143160300000000, 0.0045673300000000, 0.0267841600000000 ] - [ -0.0013688200000000, 0.0000866300000000, 0.0008836100000000 ] - [ -0.0010600700000000, 0.0086600400000000, -0.0099911100000000 ] - [ -0.0003359900000000, -0.0011261900000000, 0.0001965400000000 ] - [ 0.0008183200000000, 0.0002739100000000, 0.0003380600000000 ] - [ 0.0001063900000000, -0.0000856400000000, 0.0000826300000000 ] - [ 0.0003197300000000, 0.0004513900000000, 0.0007404600000000 ] - [ 0.0001355900000000, -0.0003036700000000, 0.0005561200000000 ] - [ 0.0090871800000000, -0.0038777500000000, -0.0096849100000000 ] - [ -0.0001712700000000, 0.0004130200000000, -0.0000115700000000 ] - [ -0.0005476400000000, 0.0016352400000000, -0.0009332900000000 ] - [ 0.0003005300000000, -0.0014751400000000, -0.0010421200000000 ] - [ 0.0008076600000000, 0.0001738600000000, -0.0000213200000000 ] - [ 0.0013313600000000, -0.0004936800000000, 0.0001854300000000 ] - [ -0.0002118200000000, 0.0007229900000000, 0.0016502300000000 ] - [ -0.0003423100000000, -0.0006726600000000, 0.0014785700000000 ] - [ 0.0007622300000000, 0.0004707000000000, -0.0023350800000000 ] - [ 0.0001146400000000, 0.0005027300000000, -0.0002300200000000 ] - [ 0.0007406400000000, 0.0000033700000000, 0.0002113100000000 ] - [ 0.0002880600000000, -0.0002235400000000, 0.0000897400000000 ] - [ -0.0001886100000000, -0.0000546500000000, 0.0006972000000000 ] - [ -0.0001429500000000, 0.0002969900000000, 0.0015270700000000 ] - [ 0.0005254400000000, 0.0000160000000000, -0.0002537500000000 ] - [ 0.0007631300000000, -0.0002181600000000, -0.0004632900000000 ] - [ 0.0011193700000000, 0.0014593900000000, -0.0012124600000000 ] - [ 0.0002342800000000, -0.0028435100000000, -0.0017639000000000 ] - [ 0.0007231400000000, 0.0002892500000000, -0.0003664900000000 ] - [ 0.0002181800000000, -0.0003509200000000, -0.0002324300000000 ] - [ 0.0006728700000000, 0.0001874400000000, -0.0001015700000000 ] - [ 0.0025706300000000, -0.0013430200000000, -0.0002230400000000 ] - [ 0.0014329700000000, -0.0003875600000000, 0.0032136000000000 ] - [ 0.0002897100000000, -0.0000331800000000, 0.0011071800000000 ] - [ 0.0004032400000000, 0.0003334800000000, -0.0000235300000000 ] - [ -0.0000026800000000, 0.0001546600000000, -0.0003486600000000 ] - [ 0.0015462200000000, 0.0008962300000000, 0.0009293400000000 ] - [ 0.0005099000000000, -0.0010348400000000, 0.0003211700000000 ] - [ 0.0000649600000000, 0.0004540100000000, 0.0001439000000000 ] - [ 0.0015663900000000, -0.0014045300000000, 0.0007067900000000 ] - [ -0.0006157900000000, -0.0000369900000000, 0.0002756900000000 ] - [ -0.0017913000000000, -0.0002046600000000, -0.0010022300000000 ] - [ 0.0012208200000000, -0.0001141900000000, -0.0005754600000000 ] - [ 0.0010049100000000, 0.0000859300000000, -0.0003996800000000 ] - [ 0.0006024100000000, -0.0003858100000000, -0.0000162700000000 ] - [ 0.0006606600000000, 0.0004007600000000, -0.0000874100000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002079900000000, 0.0018171500000000, 0.0007387700000000 ] - [ 0.0003572500000000, -0.0020188800000000, -0.0031718800000000 ] - [ 0.0042872000000000, 0.0046554600000000, -0.0027179200000000 ] - [ -0.0044076000000000, 0.0044821400000000, 0.0024072100000000 ] - [ 0.0001106300000000, 0.0009536000000000, -0.0003705600000000 ] - [ 0.0005738400000000, -0.0015017400000000, 0.0009523300000000 ] - [ -0.0010325000000000, 0.0001794300000000, 0.0001931900000000 ] - [ 0.0010347500000000, 0.0001315900000000, -0.0003141200000000 ] - [ 0.0001026500000000, -0.0001960400000000, -0.0002795700000000 ] - [ -0.0002088100000000, 0.0002559500000000, 0.0004042900000000 ] - [ 0.0002787200000000, -0.0006742400000000, 0.0001913500000000 ] - [ 0.0002998100000000, 0.0004792100000000, 0.0000169500000000 ] - [ -0.0005765800000000, -0.0003630400000000, 0.0008094100000000 ] - [ 0.0001804500000000, 0.0003488300000000, -0.0003700100000000 ] - [ 0.0002207500000000, -0.0033020500000000, -0.0005615600000000 ] - [ -0.0002994000000000, 0.0010129600000000, -0.0000313300000000 ] - [ 0.0008412200000000, -0.0033946900000000, 0.0003714200000000 ] - [ -0.0000034100000000, 0.0027583100000000, 0.0001806500000000 ] - [ 0.0003870300000000, -0.0028132700000000, 0.0034764400000000 ] - [ -0.0007050000000000, 0.0023139200000000, 0.0002636900000000 ] - [ -0.0300608100000000, -0.0002852200000000, 0.0245957300000000 ] - [ -0.0015640100000000, 0.0094130600000000, -0.0021486500000000 ] - [ -0.0021193900000000, 0.0109830600000000, -0.0032086700000000 ] - [ 0.0415749500000000, 0.0249752300000000, 0.0022053300000000 ] - [ -0.0161238100000000, 0.0038377400000000, -0.0118765300000000 ] - [ 0.0024107900000000, 0.0083943300000000, 0.0012528200000000 ] - [ -0.0008925000000000, -0.0014937100000000, 0.0002978400000000 ] - [ 0.0004407900000000, 0.0016453300000000, -0.0004693400000000 ] - [ -0.0004144000000000, 0.0000645600000000, -0.0003810300000000 ] - [ -0.0001904400000000, 0.0001658800000000, 0.0006793000000000 ] - [ -0.0000204600000000, 0.0015858900000000, 0.0014667100000000 ] - [ 0.0002684300000000, -0.0007273800000000, -0.0001769700000000 ] - [ 0.0004464600000000, 0.0009322300000000, 0.0003199600000000 ] - [ 0.0002528700000000, -0.0009001200000000, 0.0002909600000000 ] - [ 0.0002126200000000, -0.0009258900000000, 0.0001181400000000 ] - [ -0.0002717700000000, 0.0012311400000000, 0.0000469200000000 ] - [ 0.0000515100000000, 0.0009913100000000, -0.0001975000000000 ] - [ -0.0008845300000000, -0.0009276700000000, -0.0001625900000000 ] - [ 0.0034801100000000, 0.0014449200000000, 0.0009929800000000 ] - [ -0.0015377400000000, -0.0005627500000000, -0.0015511100000000 ] - [ -0.0012520000000000, -0.2763380600000000, 0.0074687800000000 ] - [ -0.0005631600000000, 0.0054444300000000, -0.0004160200000000 ] - [ -0.0008278000000000, -0.0004305500000000, 0.0001183100000000 ] - [ 0.0014565400000000, 0.0006189100000000, 0.0002339800000000 ] - [ -0.0014349000000000, -0.0099990400000000, -0.0056664100000000 ] - [ 0.0006683300000000, 0.0041139800000000, 0.0006273700000000 ] - [ 0.0065738100000000, -0.0010627900000000, 0.0040635500000000 ] - [ -0.0008528400000000, 0.0016268100000000, -0.0009833500000000 ] - [ -0.0004673100000000, -0.0000198500000000, 0.0006008500000000 ] - [ 0.0001216400000000, -0.0000223100000000, -0.0001908200000000 ] - [ -0.0006633600000000, 0.0010396600000000, 0.0000004000000000 ] - [ -0.0006489300000000, -0.0006025600000000, 0.0002895800000000 ] - [ 0.0018439600000000, -0.0000608600000000, -0.0008975300000000 ] - [ -0.0012673500000000, -0.0000680300000000, 0.0005012000000000 ] - [ 0.0005858600000000, 0.0006399500000000, -0.0001583100000000 ] - [ 0.0006006900000000, -0.0003819900000000, 0.0009759500000000 ] - [ 0.0028799300000000, -0.0020766000000000, 0.0030636900000000 ] - [ -0.0059755500000000, -0.0102738500000000, -0.0058762000000000 ] - [ 0.0074917400000000, 0.0109114100000000, 0.0014748700000000 ] - [ -0.0010696400000000, -0.0033190600000000, -0.0003187400000000 ] - [ -0.0001744600000000, 0.0000459300000000, -0.0001321700000000 ] - [ -0.0006292100000000, 0.0002806000000000, -0.0001472300000000 ] - [ -0.0020365700000000, 0.0030271400000000, -0.0004620300000000 ] - [ 0.0005381000000000, -0.0020174800000000, 0.0005364000000000 ] - [ -0.0036991500000000, 0.0447612500000000, -0.0002249300000000 ] - [ 0.0008907700000000, -0.0030072400000000, 0.0004007100000000 ] - [ 0.0010149400000000, 0.0017812600000000, 0.0013017300000000 ] - [ -0.0002858100000000, -0.0008892600000000, 0.0000735800000000 ] - [ -0.0024684700000000, -0.0009158200000000, -0.0018008800000000 ] - [ 0.0009882000000000, -0.0005609700000000, 0.0012515800000000 ] - [ 0.0064665400000000, -0.0081826200000000, -0.0008462900000000 ] - [ -0.0042310900000000, -0.0112480600000000, 0.0056101300000000 ] - [ 0.0002381700000000, 0.0007063500000000, 0.0001768400000000 ] - [ -0.0003368700000000, -0.0007441200000000, 0.0000332900000000 ] - [ 0.0120915900000000, 0.0737946700000000, 0.0250919600000000 ] - [ 0.0007029200000000, -0.0042984200000000, -0.0008318700000000 ] - [ 0.0001140800000000, 0.0007823600000000, -0.0007646100000000 ] - [ -0.0005937000000000, -0.0016399600000000, -0.0004843000000000 ] - [ -0.0007205700000000, -0.0052365900000000, 0.0012041400000000 ] - [ 0.0021494000000000, 0.0929362100000000, -0.0341512000000000 ] - [ -0.0010079200000000, 0.0002231000000000, 0.0002249400000000 ] - [ -0.0016351600000000, -0.0014676900000000, -0.0020505300000000 ] - [ 0.0006468900000000, -0.0006542000000000, 0.0003545800000000 ] - [ 0.0003116100000000, 0.0010163600000000, -0.0003963700000000 ] - [ -0.0004498400000000, -0.0006420900000000, -0.0001197000000000 ] - [ -0.0001007800000000, 0.0012434100000000, -0.0012099300000000 ] - [ 0.0014611300000000, -0.0040776400000000, -0.0002006200000000 ] - [ -0.0088893000000000, 0.0061426200000000, 0.0002757900000000 ] - [ 0.0020950100000000, 0.0032748600000000, -0.0004288700000000 ] - [ -0.0014146100000000, -0.0032193300000000, 0.0009413700000000 ] - [ 0.0008864100000000, -0.0005128700000000, -0.0106389900000000 ] - [ 0.0011668000000000, -0.0014818400000000, 0.0017205700000000 ] - [ -0.0045021600000000, 0.0400263100000000, 0.0018046700000000 ] - [ 0.0002516500000000, -0.0016807500000000, -0.0000074900000000 ] - [ -0.0009927800000000, 0.0022192200000000, -0.0008171200000000 ] - [ 0.0004224900000000, -0.0010258900000000, -0.0004974300000000 ] - [ 0.0000197200000000, 0.0008080700000000, 0.0001304900000000 ] - [ -0.0002781200000000, -0.0008438700000000, -0.0000495300000000 ] - [ -0.0007909300000000, -0.0001760000000000, -0.0000890000000000 ] - [ 0.0005454100000000, 0.0003612200000000, 0.0001131900000000 ] - [ -0.0000054200000000, -0.0004185500000000, -0.0001429100000000 ] - [ 0.0003455600000000, -0.0006834200000000, -0.0001599300000000 ] - [ 0.0000739200000000, -0.0005518300000000, 0.0003050500000000 ] - [ -0.0002023600000000, -0.0001222300000000, 0.0003020300000000 ] - [ 0.0000846700000000, -0.0001114500000000, -0.0002352900000000 ] - [ 0.0000364700000000, 0.0002309200000000, 0.0000228300000000 ] - [ -0.0019961400000000, -0.0005277900000000, -0.0000525500000000 ] - [ 0.0017398600000000, -0.0001158100000000, 0.0004598300000000 ] - [ 0.0003714100000000, 0.0009269800000000, -0.0004450700000000 ] - [ -0.0001540100000000, -0.0004500100000000, 0.0001427800000000 ] - [ 0.0000165700000000, 0.0006962100000000, -0.0002654900000000 ] - [ 0.0002411400000000, -0.0007463200000000, -0.0000251600000000 ] - [ -0.0003928500000000, -0.0016506400000000, -0.0005132900000000 ] - [ -0.0003361300000000, 0.0016073400000000, 0.0007439300000000 ] - [ 0.0001877000000000, -0.0003220600000000, -0.0002244100000000 ] - [ 0.0001237500000000, 0.0002819300000000, -0.0000156800000000 ] - [ -0.0000413500000000, -0.0006894700000000, 0.0001043300000000 ] - [ 0.0005434600000000, 0.0000911000000000, -0.0010774000000000 ] - [ -0.0001541100000000, 0.0000902100000000, -0.0003335500000000 ] - [ -0.0002968400000000, -0.0005493300000000, -0.0001559100000000 ] - [ 0.0002756100000000, -0.0005943900000000, -0.0001467100000000 ] - [ 0.0001847700000000, 0.0002960400000000, 0.0002078800000000 ] - [ -0.0003479700000000, 0.0005219600000000, -0.0003777500000000 ] - [ 0.0003567100000000, -0.0000549100000000, 0.0001174400000000 ] - [ -0.0015094100000000, -0.0001481200000000, -0.0024635700000000 ] - [ -0.0002347000000000, -0.0000380000000000, 0.0006059000000000 ] - [ -0.0002615800000000, 0.0003783600000000, 0.0004110000000000 ] - [ 0.0007640400000000, -0.0008214000000000, 0.0000206200000000 ] - [ -0.0006677200000000, -0.0004861500000000, 0.0003287500000000 ] - [ 0.0004166900000000, 0.0004832600000000, -0.0001626000000000 ] - [ -0.0002258100000000, -0.0004427700000000, 0.0000108500000000 ] - [ -0.0002077100000000, 0.0002126000000000, -0.0001964700000000 ] - [ 0.0002153800000000, -0.0001525400000000, -0.0004598800000000 ] - [ -0.0004871400000000, 0.0001854800000000, 0.0000487000000000 ] - [ -0.0000753700000000, -0.0013390800000000, -0.0000802200000000 ] - [ 0.0003632400000000, 0.0013994600000000, -0.0003871700000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000491600000000, -0.0018204500000000, -0.0006549800000000 ] - [ -0.0006090500000000, 0.0020205400000000, 0.0032414400000000 ] - [ -0.0040423500000000, -0.0047306400000000, 0.0026665200000000 ] - [ 0.0046575100000000, -0.0044678400000000, -0.0024600300000000 ] - [ 0.0001478500000000, -0.0009533300000000, 0.0002898400000000 ] - [ -0.0003166800000000, 0.0014831400000000, -0.0010295700000000 ] - [ 0.0007421800000000, -0.0002055300000000, -0.0001239900000000 ] - [ -0.0013230400000000, -0.0001564900000000, 0.0003779800000000 ] - [ -0.0003593900000000, 0.0001945700000000, 0.0003569400000000 ] - [ -0.0000492400000000, -0.0002613300000000, -0.0003178600000000 ] - [ 0.0000142200000000, 0.0006445900000000, -0.0002591100000000 ] - [ -0.0000068700000000, -0.0005050100000000, -0.0000859200000000 ] - [ 0.0008385400000000, 0.0003622300000000, -0.0008971000000000 ] - [ 0.0000770500000000, -0.0003541700000000, 0.0002857100000000 ] - [ -0.0005050100000000, 0.0032734300000000, 0.0006460100000000 ] - [ 0.0000060700000000, -0.0010391400000000, 0.0000987300000000 ] - [ -0.0008518500000000, 0.0034825000000000, -0.0003782400000000 ] - [ 0.0000039000000000, -0.0026610600000000, -0.0001801600000000 ] - [ -0.0008713700000000, 0.0029910400000000, -0.0034320000000000 ] - [ 0.0001809200000000, -0.0021190500000000, -0.0000997000000000 ] - [ 0.0305173400000000, 0.0001095200000000, -0.0243554500000000 ] - [ 0.0020205200000000, -0.0093983800000000, 0.0025165400000000 ] - [ 0.0021351100000000, -0.0107153500000000, 0.0031837100000000 ] - [ -0.0412700000000000, -0.0243856000000000, -0.0023891800000000 ] - [ 0.0158099200000000, -0.0036813900000000, 0.0115926600000000 ] - [ -0.0028373600000000, -0.0083316000000000, -0.0016186000000000 ] - [ 0.0014282900000000, 0.0016820300000000, -0.0004816600000000 ] - [ 0.0000820300000000, -0.0014544500000000, 0.0003146900000000 ] - [ 0.0004304000000000, 0.0000450500000000, 0.0003695300000000 ] - [ 0.0001885000000000, -0.0000887500000000, -0.0006757700000000 ] - [ -0.0005080000000000, -0.0014005200000000, -0.0013095000000000 ] - [ -0.0007915500000000, 0.0009143000000000, 0.0003296300000000 ] - [ -0.0000033300000000, -0.0009238500000000, 0.0000370100000000 ] - [ 0.0001906000000000, 0.0009022400000000, 0.0000652400000000 ] - [ -0.0002098000000000, 0.0012121200000000, -0.0001158300000000 ] - [ 0.0002705100000000, -0.0009471200000000, -0.0000472800000000 ] - [ -0.0004977800000000, -0.0009825900000000, -0.0001633800000000 ] - [ 0.0004494800000000, 0.0009289600000000, -0.0001956400000000 ] - [ -0.0029605200000000, -0.0012553000000000, -0.0011580500000000 ] - [ 0.0020573600000000, 0.0007510100000000, 0.0013892100000000 ] - [ -0.0009891700000000, 0.2738639700000000, 0.0022840500000000 ] - [ 0.0002866900000000, -0.0055205000000000, 0.0005443700000000 ] - [ 0.0000175400000000, 0.0005962700000000, 0.0000231800000000 ] - [ -0.0022220500000000, -0.0004481900000000, -0.0000808200000000 ] - [ 0.0017261900000000, 0.0098739400000000, 0.0055804000000000 ] - [ -0.0003969100000000, -0.0041846500000000, -0.0007678400000000 ] - [ -0.0058065800000000, 0.0012266300000000, -0.0042152800000000 ] - [ 0.0016305800000000, -0.0014540300000000, 0.0008347700000000 ] - [ 0.0001969500000000, -0.0000539600000000, -0.0004721800000000 ] - [ -0.0003861900000000, -0.0000556100000000, 0.0003202200000000 ] - [ -0.0001109500000000, -0.0008648300000000, 0.0001474800000000 ] - [ -0.0001135000000000, 0.0007327600000000, -0.0001579800000000 ] - [ -0.0015810900000000, -0.0000097000000000, 0.0007696700000000 ] - [ 0.0015299100000000, -0.0000153500000000, -0.0006253600000000 ] - [ 0.0001873900000000, -0.0004619500000000, 0.0000150700000000 ] - [ 0.0001774700000000, 0.0005535600000000, -0.0011482000000000 ] - [ -0.0032507800000000, 0.0019897900000000, -0.0028723700000000 ] - [ 0.0055958800000000, 0.0101238300000000, 0.0060789600000000 ] - [ -0.0075851000000000, -0.0106828400000000, -0.0014404200000000 ] - [ 0.0010396300000000, 0.0035315400000000, 0.0003544500000000 ] - [ 0.0000635000000000, 0.0002847400000000, 0.0001262500000000 ] - [ 0.0005095400000000, 0.0000575100000000, 0.0001433500000000 ] - [ 0.0018580600000000, -0.0036849800000000, 0.0013499300000000 ] - [ -0.0007237400000000, 0.0013549800000000, 0.0003446200000000 ] - [ 0.0032356000000000, -0.0444735100000000, -0.0004356000000000 ] - [ -0.0008563400000000, 0.0032046600000000, -0.0004312900000000 ] - [ -0.0008566600000000, -0.0015942500000000, -0.0014245500000000 ] - [ 0.0004604300000000, 0.0010683000000000, -0.0001954400000000 ] - [ 0.0025907400000000, 0.0012530800000000, 0.0017975000000000 ] - [ -0.0008593700000000, 0.0008965600000000, -0.0012476400000000 ] - [ -0.0060874700000000, 0.0080729500000000, 0.0006448900000000 ] - [ 0.0046235900000000, 0.0112151500000000, -0.0058581600000000 ] - [ -0.0006097900000000, -0.0007494000000000, -0.0000959600000000 ] - [ -0.0000285800000000, 0.0007044400000000, 0.0000390600000000 ] - [ -0.0117784900000000, -0.0782799000000000, -0.0292828000000000 ] - [ -0.0003258500000000, 0.0043378500000000, 0.0007874100000000 ] - [ 0.0000838200000000, -0.0014331200000000, -0.0001119400000000 ] - [ 0.0007759500000000, 0.0009758800000000, -0.0003963600000000 ] - [ 0.0002840800000000, 0.0047433600000000, -0.0015837800000000 ] - [ -0.0012554600000000, -0.0867152400000000, 0.0296315800000000 ] - [ 0.0011478500000000, -0.0004921400000000, -0.0002455600000000 ] - [ 0.0017064900000000, 0.0012439800000000, 0.0019634300000000 ] - [ -0.0000087800000000, 0.0009393100000000, -0.0001441900000000 ] - [ 0.0003202100000000, -0.0007248600000000, 0.0006258900000000 ] - [ -0.0001819700000000, 0.0009341800000000, -0.0000921200000000 ] - [ -0.0005268700000000, -0.0009290600000000, 0.0010396500000000 ] - [ -0.0010299300000000, 0.0035831600000000, 0.0005886500000000 ] - [ 0.0092972800000000, -0.0066246800000000, 0.0001043900000000 ] - [ -0.0024404600000000, -0.0032384800000000, 0.0004360200000000 ] - [ 0.0010264400000000, 0.0032492500000000, -0.0008776500000000 ] - [ -0.0009557800000000, 0.0003151600000000, 0.0106910600000000 ] - [ -0.0012525500000000, 0.0012626500000000, -0.0016471800000000 ] - [ 0.0051005400000000, -0.0398976400000000, -0.0021657500000000 ] - [ -0.0004262300000000, 0.0018600600000000, 0.0001174300000000 ] - [ 0.0013548100000000, -0.0023081500000000, 0.0007728300000000 ] - [ -0.0000512600000000, 0.0009752600000000, 0.0004215200000000 ] - [ -0.0003588700000000, -0.0008990100000000, 0.0000735500000000 ] - [ -0.0000556500000000, 0.0007616200000000, 0.0002576800000000 ] - [ 0.0007640300000000, 0.0003813000000000, 0.0001199300000000 ] - [ -0.0005751100000000, -0.0001558400000000, -0.0000838900000000 ] - [ -0.0001873800000000, 0.0007841700000000, 0.0002071700000000 ] - [ -0.0004712400000000, 0.0010196200000000, 0.0001572300000000 ] - [ -0.0002617000000000, -0.0001157200000000, 0.0005754000000000 ] - [ 0.0000102700000000, -0.0005271100000000, 0.0005809500000000 ] - [ -0.0000533900000000, 0.0003150300000000, 0.0002077600000000 ] - [ -0.0000167300000000, -0.0000155300000000, -0.0000553200000000 ] - [ 0.0021816900000000, 0.0007067200000000, -0.0000667900000000 ] - [ -0.0015519600000000, 0.0002953900000000, -0.0005729000000000 ] - [ -0.0002579700000000, -0.0005918500000000, 0.0004560000000000 ] - [ 0.0002701300000000, 0.0007846200000000, -0.0001412800000000 ] - [ 0.0003150100000000, -0.0007750000000000, 0.0000603700000000 ] - [ 0.0000954100000000, 0.0006599300000000, -0.0001827700000000 ] - [ 0.0000254300000000, 0.0016027100000000, 0.0005850100000000 ] - [ -0.0000288400000000, -0.0016542600000000, -0.0006736200000000 ] - [ 0.0001908000000000, 0.0003626400000000, 0.0001731800000000 ] - [ 0.0002589400000000, -0.0002421500000000, -0.0000401500000000 ] - [ 0.0002260500000000, 0.0000211200000000, -0.0009839200000000 ] - [ -0.0003519200000000, -0.0007341700000000, 0.0001990900000000 ] - [ -0.0002803500000000, -0.0005826700000000, -0.0000490100000000 ] - [ -0.0001391000000000, 0.0000571700000000, -0.0002277400000000 ] - [ -0.0001953500000000, 0.0003725400000000, 0.0000734300000000 ] - [ -0.0001111600000000, -0.0005089400000000, -0.0002712400000000 ] - [ 0.0009936600000000, -0.0002355200000000, 0.0005993600000000 ] - [ 0.0002764700000000, 0.0003490500000000, 0.0000875200000000 ] - [ 0.0008785500000000, 0.0004394700000000, 0.0022581500000000 ] - [ -0.0004053600000000, 0.0003232300000000, -0.0008152300000000 ] - [ 0.0006939400000000, -0.0008741000000000, -0.0000283100000000 ] - [ -0.0003248200000000, 0.0003300200000000, 0.0003638200000000 ] - [ 0.0002896900000000, 0.0005240500000000, -0.0002726900000000 ] - [ -0.0007908500000000, -0.0004324800000000, 0.0002035200000000 ] - [ 0.0001440000000000, 0.0002197400000000, 0.0000579400000000 ] - [ 0.0001315500000000, -0.0004299600000000, 0.0002811000000000 ] - [ -0.0003930700000000, 0.0003314100000000, 0.0005826700000000 ] - [ 0.0003015900000000, -0.0000045500000000, 0.0000835200000000 ] - [ 0.0004436400000000, 0.0012898200000000, 0.0000105300000000 ] - [ 0.0000047700000000, -0.0014385900000000, 0.0003159200000000 ]- atom: 41 displacement: [ -0.0066066504307377, 0.0000000000000000, 0.0075068082489187 ] forces: - [ -0.0003971900000000, 0.0005891100000000, 0.0009454300000000 ] - [ -0.0009828200000000, -0.0008934100000000, 0.0032239300000000 ] - [ 0.0016572800000000, -0.0043443700000000, -0.0034657400000000 ] - [ 0.0022944800000000, 0.0044271400000000, -0.0029762200000000 ] - [ 0.0005000000000000, -0.0001944200000000, -0.0005688100000000 ] - [ 0.0014517300000000, 0.0005599000000000, -0.0010004300000000 ] - [ -0.0012101800000000, 0.0000631300000000, 0.0006427100000000 ] - [ -0.0014337400000000, -0.0002419700000000, 0.0009251000000000 ] - [ 0.0010451000000000, -0.0003594800000000, 0.0004830900000000 ] - [ 0.0004219700000000, 0.0003763000000000, -0.0001835900000000 ] - [ -0.0006695000000000, 0.0000281100000000, 0.0002565200000000 ] - [ -0.0002997200000000, -0.0000285900000000, 0.0002069500000000 ] - [ -0.0017410100000000, -0.0005910500000000, 0.0011810600000000 ] - [ -0.0005213400000000, 0.0002784100000000, 0.0004493600000000 ] - [ -0.0000165500000000, -0.0004155600000000, -0.0058169100000000 ] - [ 0.0003791400000000, 0.0000410300000000, -0.0003472000000000 ] - [ 0.0018800100000000, -0.0012678600000000, 0.0008976500000000 ] - [ 0.0003837600000000, -0.0000179000000000, 0.0001338700000000 ] - [ -0.0144506200000000, -0.0003557100000000, 0.0545422800000000 ] - [ 0.0003459200000000, 0.0002993600000000, -0.0016729800000000 ] - [ -0.0184709000000000, 0.0187111200000000, 0.0291451700000000 ] - [ 0.0011758100000000, -0.0044421000000000, 0.0017309600000000 ] - [ -0.0012635100000000, 0.0042950800000000, -0.0039851300000000 ] - [ -0.0236621200000000, -0.0206581200000000, -0.0026508100000000 ] - [ -0.0052720700000000, -0.0021785100000000, -0.0091602800000000 ] - [ -0.0013388000000000, -0.0036963500000000, -0.0014669200000000 ] - [ -0.0045136000000000, 0.0000653900000000, 0.0071868100000000 ] - [ -0.0009794100000000, 0.0003488300000000, 0.0017761500000000 ] - [ -0.0059160900000000, -0.0057671200000000, 0.0056611700000000 ] - [ -0.0008252700000000, 0.0039435700000000, 0.0015680000000000 ] - [ -0.0001894700000000, 0.0006773700000000, 0.0015582800000000 ] - [ -0.0009424400000000, -0.0000789100000000, 0.0011405200000000 ] - [ 0.0003439100000000, -0.0002437500000000, 0.0006408500000000 ] - [ 0.0005240800000000, 0.0005796500000000, 0.0016047400000000 ] - [ -0.0016069700000000, -0.0005107400000000, -0.0000506900000000 ] - [ -0.0004111100000000, 0.0006172900000000, 0.0000790000000000 ] - [ -0.0008901000000000, -0.0002278800000000, -0.0000836100000000 ] - [ -0.0033919900000000, 0.0008830700000000, -0.0002765000000000 ] - [ 0.0034077200000000, 0.0002290000000000, -0.0011222100000000 ] - [ 0.0022564200000000, 0.0002598700000000, -0.0015506900000000 ] - [ 0.2110208000000000, 0.0013950300000000, -0.2205063000000000 ] - [ 0.0017783200000000, -0.0001148200000000, -0.0018600900000000 ] - [ 0.0010266000000000, 0.0003072500000000, -0.0001511400000000 ] - [ -0.0010701100000000, 0.0002415900000000, -0.0005699300000000 ] - [ -0.0087075300000000, 0.0031369600000000, -0.0028536700000000 ] - [ -0.0014592500000000, -0.0002080300000000, 0.0008130100000000 ] - [ 0.0034020400000000, 0.0006784700000000, 0.0028613900000000 ] - [ 0.0010249400000000, -0.0001092800000000, 0.0007158800000000 ] - [ -0.0011395300000000, -0.0003993000000000, 0.0008747800000000 ] - [ -0.0014754100000000, 0.0005877600000000, 0.0005800700000000 ] - [ -0.0017581700000000, -0.0017579800000000, 0.0011671300000000 ] - [ -0.0050948400000000, 0.0067388000000000, 0.0048107500000000 ] - [ 0.0012497300000000, -0.0013893900000000, -0.0014169200000000 ] - [ 0.0011072700000000, 0.0017226700000000, -0.0015394800000000 ] - [ 0.0014381300000000, -0.0017333300000000, -0.0004645600000000 ] - [ 0.0003476100000000, 0.0006344300000000, 0.0085584300000000 ] - [ 0.0004796600000000, 0.0005264000000000, 0.0032227400000000 ] - [ 0.0027515000000000, 0.0063693600000000, 0.0056003500000000 ] - [ 0.0086015600000000, -0.0001747600000000, -0.0023373300000000 ] - [ 0.0007309000000000, 0.0007855100000000, -0.0002215500000000 ] - [ -0.0004562400000000, 0.0002496500000000, 0.0000436300000000 ] - [ 0.0001784700000000, 0.0001499600000000, 0.0001578300000000 ] - [ -0.0021659900000000, 0.0004118800000000, -0.0010454200000000 ] - [ -0.0004914300000000, -0.0001055800000000, 0.0002923800000000 ] - [ -0.0231498200000000, 0.0015158200000000, 0.0393975800000000 ] - [ -0.0006829700000000, 0.0008807100000000, 0.0006109600000000 ] - [ 0.0046760000000000, -0.0001253800000000, -0.0024642000000000 ] - [ 0.0013396400000000, 0.0001629300000000, -0.0013154600000000 ] - [ -0.0020635300000000, -0.0008511100000000, -0.0010253300000000 ] - [ -0.0009981600000000, 0.0004736900000000, -0.0003903200000000 ] - [ 0.0031701800000000, -0.0048865900000000, -0.0001157800000000 ] - [ 0.0022385900000000, 0.0043960200000000, -0.0029471800000000 ] - [ 0.0021071700000000, -0.0004250900000000, -0.0031250200000000 ] - [ 0.0005643700000000, -0.0012084600000000, -0.0011430200000000 ] - [ -0.0241085300000000, 0.0124634400000000, 0.0399445600000000 ] - [ -0.0007569200000000, 0.0013459400000000, 0.0008148200000000 ] - [ -0.0005989600000000, -0.0005125000000000, -0.0006019700000000 ] - [ 0.0002237200000000, -0.0002478200000000, -0.0003474400000000 ] - [ -0.0009967600000000, -0.0014219100000000, 0.0009725000000000 ] - [ -0.0280134400000000, -0.0233368600000000, 0.0447629600000000 ] - [ -0.0008442600000000, 0.0010321200000000, -0.0001482300000000 ] - [ 0.0008139900000000, 0.0004359600000000, 0.0016081400000000 ] - [ 0.0010173100000000, 0.0005291000000000, -0.0009905300000000 ] - [ 0.0022338000000000, -0.0005671400000000, -0.0042917600000000 ] - [ -0.0007046100000000, 0.0008788200000000, 0.0005047300000000 ] - [ -0.0028117100000000, -0.0039491100000000, -0.0138628000000000 ] - [ 0.0009817200000000, -0.0008471900000000, 0.0004834200000000 ] - [ 0.0055781900000000, -0.0011392600000000, 0.0015554600000000 ] - [ -0.0014254500000000, -0.0002184500000000, 0.0046435600000000 ] - [ 0.0005509200000000, 0.0008915900000000, -0.0002617500000000 ] - [ -0.0011168300000000, -0.0012766100000000, -0.0043929600000000 ] - [ -0.0006701700000000, 0.0003779900000000, -0.0011128600000000 ] - [ -0.0932937600000000, 0.0043595300000000, 0.0576272700000000 ] - [ -0.0015938600000000, 0.0001440900000000, 0.0015422400000000 ] - [ 0.0019704800000000, 0.0095293000000000, -0.0110497700000000 ] - [ -0.0002281900000000, -0.0013927600000000, 0.0005444200000000 ] - [ 0.0007242200000000, 0.0002230000000000, 0.0000861600000000 ] - [ 0.0000383600000000, -0.0001113200000000, -0.0000245300000000 ] - [ -0.0002486500000000, 0.0004865900000000, 0.0003249100000000 ] - [ -0.0005035600000000, -0.0005582300000000, 0.0001676900000000 ] - [ 0.0093689800000000, -0.0039697400000000, -0.0090954000000000 ] - [ 0.0000259800000000, 0.0005047600000000, 0.0000496800000000 ] - [ -0.0003787800000000, 0.0022286500000000, -0.0011050700000000 ] - [ 0.0009606500000000, -0.0025794200000000, -0.0017702600000000 ] - [ 0.0005532400000000, 0.0002044700000000, -0.0002905200000000 ] - [ 0.0012092600000000, -0.0005291500000000, -0.0000202300000000 ] - [ -0.0014769700000000, 0.0003534000000000, 0.0014128400000000 ] - [ -0.0011349200000000, -0.0004638900000000, 0.0014232100000000 ] - [ 0.0015598700000000, 0.0006750300000000, -0.0031886100000000 ] - [ 0.0004429600000000, 0.0007995900000000, -0.0003588100000000 ] - [ 0.0002971100000000, 0.0001327800000000, -0.0003528500000000 ] - [ 0.0001294300000000, -0.0000658400000000, -0.0001022000000000 ] - [ -0.0007418000000000, -0.0000449200000000, 0.0003242300000000 ] - [ -0.0010265300000000, 0.0002355700000000, 0.0007209000000000 ] - [ 0.0004098800000000, 0.0000573100000000, -0.0004017100000000 ] - [ 0.0007065000000000, -0.0004868400000000, -0.0009189200000000 ] - [ 0.0018628000000000, 0.0023512300000000, -0.0011531900000000 ] - [ 0.0007195800000000, -0.0030554800000000, -0.0017070900000000 ] - [ 0.0005004400000000, 0.0003549700000000, -0.0005800500000000 ] - [ 0.0001452100000000, -0.0004237400000000, -0.0003526100000000 ] - [ 0.0010280600000000, 0.0002206900000000, -0.0002433200000000 ] - [ 0.0030770800000000, -0.0013471800000000, -0.0004772400000000 ] - [ -0.0007296800000000, 0.0003239400000000, 0.0003123700000000 ] - [ 0.0000191300000000, -0.0000124800000000, 0.0008685400000000 ] - [ -0.0007010600000000, -0.0003170200000000, -0.0020531600000000 ] - [ -0.0001793500000000, 0.0001044700000000, -0.0008753400000000 ] - [ 0.0011118200000000, 0.0009695300000000, 0.0010303800000000 ] - [ 0.0002572800000000, -0.0009793400000000, 0.0003121800000000 ] - [ -0.0001533300000000, 0.0004206600000000, 0.0001912500000000 ] - [ 0.0013791900000000, -0.0014511800000000, 0.0009100300000000 ] - [ -0.0006343200000000, 0.0002425100000000, -0.0000578200000000 ] - [ -0.0019793000000000, -0.0005885800000000, -0.0022228600000000 ] - [ 0.0006451700000000, 0.0000133400000000, -0.0007445000000000 ] - [ 0.0010185000000000, 0.0000119700000000, -0.0006644300000000 ] - [ 0.0001498700000000, -0.0000988000000000, -0.0004495600000000 ] - [ 0.0001496500000000, 0.0004557400000000, -0.0006831800000000 ]- atom: 41 displacement: [ 0.0066066504307377, 0.0000000000000000, -0.0075068082489187 ] forces: - [ 0.0001374500000000, -0.0005894600000000, -0.0008549600000000 ] - [ 0.0007204600000000, 0.0008960700000000, -0.0031403400000000 ] - [ -0.0013501800000000, 0.0042897600000000, 0.0033794200000000 ] - [ -0.0019925100000000, -0.0044239000000000, 0.0028942900000000 ] - [ -0.0002404100000000, 0.0001946900000000, 0.0004794100000000 ] - [ -0.0011875500000000, -0.0005701800000000, 0.0009058300000000 ] - [ 0.0009131800000000, -0.0000928400000000, -0.0005676900000000 ] - [ 0.0011368800000000, 0.0002187500000000, -0.0008519900000000 ] - [ -0.0012895800000000, 0.0003525600000000, -0.0004008800000000 ] - [ -0.0006746300000000, -0.0003774600000000, 0.0002665400000000 ] - [ 0.0009582500000000, -0.0000560300000000, -0.0003199000000000 ] - [ 0.0005883500000000, 0.0000026600000000, -0.0002733700000000 ] - [ 0.0019894900000000, 0.0005853200000000, -0.0012624900000000 ] - [ 0.0007745700000000, -0.0002808600000000, -0.0005309200000000 ] - [ -0.0002629300000000, 0.0003882200000000, 0.0058603700000000 ] - [ -0.0006674100000000, -0.0000667300000000, 0.0004131200000000 ] - [ -0.0018784000000000, 0.0013489000000000, -0.0009043900000000 ] - [ -0.0003807000000000, 0.0001135600000000, -0.0001351700000000 ] - [ 0.0134755200000000, 0.0005687100000000, -0.0537794000000000 ] - [ -0.0008655500000000, -0.0001064700000000, 0.0018173100000000 ] - [ 0.0188616500000000, -0.0190714100000000, -0.0290100100000000 ] - [ -0.0007219800000000, 0.0044179600000000, -0.0013592300000000 ] - [ 0.0012560900000000, -0.0039737400000000, 0.0039866200000000 ] - [ 0.0236520900000000, 0.0211441700000000, 0.0027022700000000 ] - [ 0.0047458500000000, 0.0021817200000000, 0.0088658200000000 ] - [ 0.0008916000000000, 0.0036915700000000, 0.0010976000000000 ] - [ 0.0050310200000000, 0.0001250600000000, -0.0073331300000000 ] - [ 0.0014969500000000, -0.0001590400000000, -0.0019171700000000 ] - [ 0.0058726100000000, 0.0058145400000000, -0.0056267600000000 ] - [ 0.0008148100000000, -0.0038264000000000, -0.0015629800000000 ] - [ -0.0003411900000000, -0.0004849300000000, -0.0013905600000000 ] - [ 0.0004143300000000, 0.0002683700000000, -0.0009813200000000 ] - [ 0.0001001000000000, 0.0002479000000000, -0.0002739200000000 ] - [ -0.0000762500000000, -0.0005697300000000, -0.0012308800000000 ] - [ 0.0015989700000000, 0.0007916300000000, 0.0000540600000000 ] - [ 0.0004089700000000, -0.0003300500000000, -0.0000797800000000 ] - [ 0.0004415800000000, 0.0002301500000000, -0.0002809400000000 ] - [ 0.0029341700000000, -0.0008757600000000, -0.0000885700000000 ] - [ -0.0028716100000000, -0.0000339900000000, 0.0009516400000000 ] - [ -0.0017221900000000, -0.0000715100000000, 0.0013882000000000 ] - [ -0.2014893100000000, -0.0026201400000000, 0.2186813200000000 ] - [ -0.0020340600000000, 0.0000437300000000, 0.0019776400000000 ] - [ -0.0018354200000000, -0.0001411500000000, 0.0002904800000000 ] - [ 0.0002941300000000, -0.0000699800000000, 0.0007127700000000 ] - [ 0.0090173300000000, -0.0032149300000000, 0.0027743000000000 ] - [ 0.0017180500000000, 0.0001364600000000, -0.0009348700000000 ] - [ -0.0026140600000000, -0.0005117100000000, -0.0029957200000000 ] - [ -0.0002467500000000, 0.0002837200000000, -0.0008618600000000 ] - [ 0.0008621700000000, 0.0003205100000000, -0.0007393400000000 ] - [ 0.0011982000000000, -0.0006580100000000, -0.0004456200000000 ] - [ 0.0009743400000000, 0.0019149900000000, -0.0010121800000000 ] - [ 0.0043002400000000, -0.0065666400000000, -0.0046533100000000 ] - [ -0.0009769600000000, 0.0013066800000000, 0.0012786900000000 ] - [ -0.0008353800000000, -0.0017900500000000, 0.0014046900000000 ] - [ -0.0006525200000000, 0.0018911100000000, 0.0003117500000000 ] - [ 0.0004310900000000, -0.0004605900000000, -0.0086321700000000 ] - [ -0.0008080400000000, -0.0006499000000000, -0.0030209200000000 ] - [ -0.0030810900000000, -0.0064377400000000, -0.0053676500000000 ] - [ -0.0086492600000000, 0.0004150800000000, 0.0023763700000000 ] - [ -0.0007584300000000, -0.0005785400000000, 0.0002511700000000 ] - [ 0.0003341600000000, 0.0000856000000000, -0.0000455500000000 ] - [ -0.0003026800000000, 0.0001891300000000, -0.0001587000000000 ] - [ 0.0019752000000000, -0.0010625000000000, 0.0019258400000000 ] - [ 0.0003040500000000, -0.0005563100000000, 0.0005861000000000 ] - [ 0.0225048800000000, -0.0011259100000000, -0.0400772700000000 ] - [ 0.0007024700000000, -0.0006694700000000, -0.0006370900000000 ] - [ -0.0045000900000000, 0.0003039500000000, 0.0023268900000000 ] - [ -0.0011523500000000, 0.0000162700000000, 0.0011849600000000 ] - [ 0.0021641000000000, 0.0011864700000000, 0.0010221800000000 ] - [ 0.0011063300000000, -0.0001356400000000, 0.0003933200000000 ] - [ -0.0027763600000000, 0.0047755500000000, -0.0001046500000000 ] - [ -0.0018504700000000, -0.0044164300000000, 0.0026877800000000 ] - [ -0.0024628400000000, 0.0003772200000000, 0.0031845000000000 ] - [ -0.0009247700000000, 0.0011540800000000, 0.0012060600000000 ] - [ 0.0243841600000000, -0.0137313900000000, -0.0411093400000000 ] - [ 0.0011323600000000, -0.0012988000000000, -0.0008634200000000 ] - [ 0.0007955600000000, -0.0001388200000000, -0.0002730400000000 ] - [ -0.0000377900000000, -0.0004157200000000, -0.0005302100000000 ] - [ 0.0005506000000000, 0.0009134600000000, -0.0013492400000000 ] - [ 0.0276808200000000, 0.0245238200000000, -0.0460462300000000 ] - [ 0.0009965500000000, -0.0012914800000000, 0.0001414800000000 ] - [ -0.0007267400000000, -0.0006548100000000, -0.0016682200000000 ] - [ -0.0003757400000000, -0.0002358400000000, 0.0011885100000000 ] - [ -0.0015931400000000, 0.0008559100000000, 0.0045016400000000 ] - [ 0.0000626600000000, -0.0005872100000000, -0.0007113700000000 ] - [ 0.0021819800000000, 0.0042323200000000, 0.0135481500000000 ] - [ -0.0005364900000000, 0.0003398100000000, -0.0001020900000000 ] - [ -0.0051253400000000, 0.0006261600000000, -0.0011901500000000 ] - [ 0.0010557400000000, 0.0002772200000000, -0.0046251000000000 ] - [ -0.0009234000000000, -0.0008488300000000, 0.0003111000000000 ] - [ 0.0010546500000000, 0.0010717600000000, 0.0044081700000000 ] - [ 0.0005823900000000, -0.0005966000000000, 0.0011817500000000 ] - [ 0.0843353100000000, -0.0034878600000000, -0.0532392800000000 ] - [ 0.0014058600000000, 0.0000355400000000, -0.0014082500000000 ] - [ -0.0015701800000000, -0.0095283200000000, 0.0108999700000000 ] - [ 0.0005905200000000, 0.0013376600000000, -0.0006113100000000 ] - [ -0.0010527000000000, -0.0003042300000000, 0.0001138900000000 ] - [ -0.0003693600000000, 0.0000335100000000, 0.0002311300000000 ] - [ 0.0002180100000000, -0.0002796100000000, -0.0002927800000000 ] - [ 0.0004688500000000, 0.0007588000000000, -0.0001382400000000 ] - [ -0.0095408200000000, 0.0043185100000000, 0.0091478600000000 ] - [ -0.0001439300000000, -0.0001648800000000, -0.0000527300000000 ] - [ 0.0001847700000000, -0.0028684500000000, 0.0019712800000000 ] - [ -0.0011415400000000, 0.0019038000000000, 0.0026297200000000 ] - [ -0.0005157900000000, -0.0000022800000000, 0.0002596400000000 ] - [ -0.0011720500000000, 0.0007296200000000, -0.0000106800000000 ] - [ 0.0016494900000000, -0.0001702300000000, -0.0015349800000000 ] - [ 0.0013112600000000, 0.0006409600000000, -0.0015454300000000 ] - [ -0.0014293200000000, -0.0003338000000000, 0.0031709200000000 ] - [ -0.0003169300000000, -0.0004561500000000, 0.0003569200000000 ] - [ 0.0000355000000000, -0.0002124700000000, 0.0001497300000000 ] - [ 0.0002048100000000, -0.0000164000000000, -0.0001042100000000 ] - [ 0.0003751800000000, 0.0000085400000000, -0.0002471900000000 ] - [ 0.0006610500000000, -0.0002712200000000, -0.0006423300000000 ] - [ -0.0000286100000000, -0.0000143100000000, 0.0003465700000000 ] - [ -0.0003238000000000, 0.0005247800000000, 0.0008586500000000 ] - [ -0.0016602000000000, -0.0029910200000000, 0.0002753300000000 ] - [ -0.0005220300000000, 0.0023902400000000, 0.0008251100000000 ] - [ -0.0009236300000000, -0.0008417100000000, 0.0001964800000000 ] - [ -0.0005784900000000, -0.0000731100000000, -0.0000297900000000 ] - [ -0.0009380400000000, -0.0004388700000000, 0.0001644800000000 ] - [ -0.0029843200000000, 0.0011261400000000, 0.0004020200000000 ] - [ 0.0013771300000000, -0.0000451000000000, -0.0000819700000000 ] - [ 0.0006221300000000, 0.0002933900000000, -0.0006534500000000 ] - [ 0.0000703500000000, 0.0006129900000000, 0.0018421100000000 ] - [ -0.0004554600000000, 0.0001873300000000, 0.0006673000000000 ] - [ -0.0006791400000000, -0.0014537100000000, -0.0006451700000000 ] - [ 0.0001786400000000, 0.0004805800000000, 0.0000716000000000 ] - [ -0.0002286800000000, -0.0003793000000000, -0.0001316400000000 ] - [ -0.0017510200000000, 0.0014856600000000, -0.0008509600000000 ] - [ 0.0005443500000000, -0.0004613300000000, 0.0001292600000000 ] - [ 0.0018771500000000, 0.0003656100000000, 0.0022810800000000 ] - [ -0.0008168600000000, 0.0001667400000000, 0.0008511600000000 ] - [ -0.0011910500000000, 0.0001663800000000, 0.0007761800000000 ] - [ 0.0002190200000000, 0.0000432400000000, 0.0003802300000000 ] - [ 0.0002179400000000, -0.0005033500000000, 0.0006136600000000 ]- atom: 43 displacement: [ 0.0099999989202427, 0.0000000000000000, 0.0000046470576681 ] forces: - [ 0.0009320500000000, -0.0002052300000000, 0.0010335900000000 ] - [ 0.0011573200000000, 0.0002968900000000, 0.0009455500000000 ] - [ 0.0016026300000000, 0.0003928400000000, 0.0006243400000000 ] - [ 0.0007098300000000, -0.0003841300000000, 0.0003982600000000 ] - [ -0.0024880300000000, 0.0048301400000000, -0.0004720400000000 ] - [ -0.0027576700000000, -0.0048206400000000, -0.0007106400000000 ] - [ -0.0012679800000000, 0.0005156100000000, -0.0009407000000000 ] - [ -0.0005555400000000, -0.0001996500000000, -0.0004468500000000 ] - [ 0.0036067400000000, 0.0000726300000000, -0.0061665400000000 ] - [ -0.0006036200000000, -0.0000311500000000, -0.0003015200000000 ] - [ 0.0009742000000000, 0.0010143400000000, -0.0037418400000000 ] - [ 0.0000785400000000, -0.0006964900000000, -0.0010474600000000 ] - [ 0.0016281200000000, 0.0001083600000000, 0.0001574500000000 ] - [ 0.0007220400000000, -0.0000222900000000, 0.0001422400000000 ] - [ 0.0000901600000000, -0.0002754700000000, 0.0014185900000000 ] - [ 0.0001249600000000, 0.0000517600000000, 0.0007293900000000 ] - [ 0.0167686300000000, 0.0220009700000000, 0.0154291300000000 ] - [ -0.0004695500000000, -0.0050232800000000, 0.0031280200000000 ] - [ 0.0035476400000000, -0.0014957500000000, -0.0008930900000000 ] - [ 0.0007203200000000, 0.0007415500000000, 0.0002157900000000 ] - [ 0.0028925400000000, -0.0004087700000000, 0.0066131200000000 ] - [ 0.0011145300000000, -0.0001539000000000, 0.0020943200000000 ] - [ -0.0023131000000000, 0.0064447600000000, 0.0073911900000000 ] - [ -0.0007244700000000, -0.0031581000000000, 0.0018187700000000 ] - [ 0.0115748700000000, 0.0007814100000000, 0.0445566400000000 ] - [ -0.0020760200000000, -0.0002008600000000, -0.0012575600000000 ] - [ 0.0008687400000000, -0.0001905600000000, 0.0005232600000000 ] - [ 0.0005819900000000, 0.0001365400000000, -0.0003064100000000 ] - [ 0.0021912600000000, 0.0016067700000000, -0.0008372100000000 ] - [ 0.0006292900000000, -0.0004344800000000, -0.0000614900000000 ] - [ 0.0301509900000000, -0.0174176200000000, -0.0104191200000000 ] - [ -0.0000598800000000, 0.0042587900000000, -0.0017567200000000 ] - [ -0.0002902600000000, 0.0003861500000000, -0.0027236000000000 ] - [ -0.0007493700000000, -0.0008828200000000, -0.0022292400000000 ] - [ 0.0008641300000000, 0.0007769400000000, -0.0014562400000000 ] - [ 0.0002573900000000, 0.0002050300000000, -0.0004917700000000 ] - [ 0.0017071000000000, -0.0007925700000000, 0.0000866300000000 ] - [ 0.0011739800000000, 0.0001232700000000, 0.0002174000000000 ] - [ -0.0003469900000000, -0.0022103700000000, 0.0165907700000000 ] - [ 0.0005226100000000, 0.0038465900000000, 0.0018154500000000 ] - [ 0.0059315400000000, -0.0004529000000000, 0.0073027700000000 ] - [ 0.0003718400000000, 0.0017976700000000, -0.0003993300000000 ] - [ -0.2934360900000000, 0.0075219200000000, -0.0092536900000000 ] - [ -0.0033046300000000, 0.0001064500000000, -0.0000678800000000 ] - [ 0.0000209100000000, -0.0061991200000000, 0.0038332700000000 ] - [ -0.0000791400000000, 0.0011999500000000, 0.0005913100000000 ] - [ 0.0062504700000000, -0.0018740000000000, 0.0066293300000000 ] - [ 0.0021129000000000, 0.0001795500000000, 0.0005224800000000 ] - [ 0.0036604600000000, -0.0003046500000000, -0.0028401300000000 ] - [ 0.0007420400000000, -0.0003122400000000, -0.0009778100000000 ] - [ 0.0011774000000000, 0.0004793400000000, 0.0002942800000000 ] - [ 0.0011781200000000, -0.0006301200000000, 0.0004896500000000 ] - [ 0.0001999400000000, -0.0002468900000000, -0.0000863400000000 ] - [ -0.0009025400000000, -0.0002351900000000, 0.0004105600000000 ] - [ 0.0003174300000000, 0.0010624000000000, -0.0007376600000000 ] - [ 0.0003188800000000, -0.0009981500000000, -0.0014988800000000 ] - [ -0.0047593700000000, -0.0115880300000000, -0.0116061200000000 ] - [ 0.0002682900000000, 0.0011584600000000, 0.0002931900000000 ] - [ -0.0013920700000000, 0.0006643800000000, -0.0024244100000000 ] - [ -0.0001853800000000, -0.0002041300000000, -0.0004835900000000 ] - [ 0.0528104800000000, -0.0196319300000000, -0.0110816200000000 ] - [ 0.0012761100000000, -0.0012555500000000, 0.0001151200000000 ] - [ -0.0035568900000000, -0.0002390900000000, -0.0037805400000000 ] - [ -0.0006633600000000, 0.0004851700000000, -0.0003314000000000 ] - [ -0.0112775100000000, 0.0064640700000000, -0.0118142800000000 ] - [ 0.0003229700000000, -0.0006686000000000, 0.0001424500000000 ] - [ 0.0017114000000000, 0.0011860900000000, -0.0012496200000000 ] - [ 0.0005471500000000, -0.0001061900000000, -0.0000242700000000 ] - [ 0.0012542100000000, 0.0005537100000000, -0.0038312400000000 ] - [ -0.0007656700000000, -0.0007129100000000, -0.0004818100000000 ] - [ -0.0002208400000000, 0.0003781400000000, -0.0034413700000000 ] - [ -0.0000613000000000, 0.0008824600000000, -0.0010941300000000 ] - [ -0.0007646600000000, -0.0001049200000000, 0.0001458800000000 ] - [ -0.0004398000000000, 0.0000796400000000, 0.0000955900000000 ] - [ -0.0011279300000000, -0.0008008800000000, -0.0038397500000000 ] - [ -0.0000385000000000, -0.0007722700000000, -0.0008198400000000 ] - [ 0.0490121700000000, 0.0194058500000000, -0.0079482400000000 ] - [ 0.0014369200000000, 0.0010462800000000, -0.0005849900000000 ] - [ -0.0014818900000000, -0.0028725600000000, -0.0013092500000000 ] - [ -0.0010488300000000, 0.0021696200000000, -0.0029159900000000 ] - [ 0.1095044200000000, -0.0031688100000000, 0.0143411400000000 ] - [ 0.0020934600000000, -0.0001793000000000, 0.0008698100000000 ] - [ -0.0000849300000000, 0.0000359400000000, -0.0000819100000000 ] - [ -0.0002438600000000, 0.0005721700000000, -0.0004864900000000 ] - [ -0.0008572900000000, -0.0006054200000000, 0.0001415300000000 ] - [ -0.0012377000000000, 0.0011253000000000, 0.0009552400000000 ] - [ 0.0019995800000000, -0.0024009200000000, -0.0006639300000000 ] - [ 0.0009412800000000, 0.0017058200000000, -0.0002227700000000 ] - [ 0.0041889000000000, 0.0042369700000000, -0.0107514900000000 ] - [ 0.0003875000000000, -0.0002554200000000, 0.0002796200000000 ] - [ -0.0039951700000000, 0.0001674700000000, -0.0036200800000000 ] - [ -0.0014594200000000, -0.0001713200000000, -0.0010549100000000 ] - [ -0.0032130100000000, 0.0006704000000000, -0.0006197500000000 ] - [ -0.0006056100000000, -0.0002654800000000, 0.0000226900000000 ] - [ -0.0020403900000000, -0.0003030100000000, 0.0005876900000000 ] - [ -0.0000058700000000, -0.0000958500000000, 0.0000406000000000 ] - [ -0.0008846300000000, -0.0002951900000000, 0.0005092700000000 ] - [ -0.0005655400000000, 0.0001449100000000, 0.0002511600000000 ] - [ 0.0009298200000000, 0.0003468300000000, 0.0004077100000000 ] - [ 0.0008123700000000, 0.0003847200000000, 0.0002375900000000 ] - [ -0.0015734200000000, 0.0009050400000000, 0.0002171700000000 ] - [ -0.0008027200000000, 0.0001447500000000, -0.0000515800000000 ] - [ -0.0005181100000000, -0.0011782400000000, 0.0007886200000000 ] - [ -0.0003766700000000, 0.0003896400000000, 0.0008542600000000 ] - [ -0.0017937700000000, 0.0007020600000000, 0.0004730500000000 ] - [ -0.0006048000000000, 0.0001434700000000, 0.0002569900000000 ] - [ 0.0002452600000000, -0.0010008400000000, -0.0002495900000000 ] - [ 0.0005017600000000, -0.0004345900000000, -0.0017951400000000 ] - [ -0.0003083500000000, 0.0006135300000000, 0.0003965700000000 ] - [ -0.0001866600000000, -0.0003178800000000, 0.0004555300000000 ] - [ 0.0005922600000000, -0.0001225800000000, 0.0012463200000000 ] - [ 0.0003366200000000, -0.0002446300000000, 0.0004626200000000 ] - [ 0.0009189000000000, 0.0009888400000000, -0.0025991500000000 ] - [ 0.0011709700000000, -0.0061872400000000, -0.0054892000000000 ] - [ -0.0004611600000000, 0.0009230200000000, 0.0018995800000000 ] - [ -0.0000431700000000, 0.0003421200000000, 0.0011458700000000 ] - [ -0.0010107900000000, -0.0012164200000000, -0.0004873700000000 ] - [ -0.0004654500000000, -0.0001505400000000, -0.0005934900000000 ] - [ -0.0012886600000000, -0.0010612200000000, 0.0013347900000000 ] - [ -0.0004260200000000, -0.0003935600000000, 0.0002487000000000 ] - [ -0.0013552800000000, 0.0000220100000000, -0.0005844200000000 ] - [ -0.0013345700000000, 0.0000147300000000, -0.0006000100000000 ] - [ 0.0420967900000000, -0.0005683500000000, -0.0104054900000000 ] - [ 0.0010691500000000, -0.0004694800000000, 0.0001621000000000 ] - [ -0.0066468700000000, 0.0008135000000000, -0.0030364300000000 ] - [ -0.0008088000000000, -0.0003906500000000, -0.0004284400000000 ] - [ -0.0000948400000000, -0.0002520100000000, 0.0002751300000000 ] - [ 0.0002810100000000, -0.0003306300000000, 0.0000928900000000 ] - [ -0.0008719500000000, -0.0000417500000000, 0.0002547300000000 ] - [ -0.0004262200000000, 0.0001955600000000, -0.0002078400000000 ] - [ 0.0001540900000000, -0.0009853600000000, 0.0016418300000000 ] - [ 0.0003927600000000, 0.0008750100000000, 0.0016145200000000 ] - [ -0.0046772100000000, 0.0012025100000000, 0.0050561800000000 ] - [ -0.0006861000000000, -0.0003552500000000, 0.0014536400000000 ] - [ -0.0016012100000000, 0.0036057900000000, -0.0013459200000000 ] - [ -0.0029660200000000, -0.0040282200000000, 0.0007886700000000 ]- atom: 43 displacement: [ -0.0099999989202427, 0.0000000000000000, -0.0000046470576681 ] forces: - [ -0.0011948300000000, 0.0001982500000000, -0.0009549500000000 ] - [ -0.0014204200000000, -0.0002964100000000, -0.0008672700000000 ] - [ -0.0013237000000000, -0.0004202700000000, -0.0007005100000000 ] - [ -0.0004224300000000, 0.0003594800000000, -0.0004704300000000 ] - [ 0.0027643200000000, -0.0048712800000000, 0.0003977100000000 ] - [ 0.0030291700000000, 0.0048550300000000, 0.0006320700000000 ] - [ 0.0009847400000000, -0.0005478900000000, 0.0010136400000000 ] - [ 0.0002671100000000, 0.0001762200000000, 0.0005183300000000 ] - [ -0.0039111100000000, -0.0000761200000000, 0.0063070800000000 ] - [ 0.0003496100000000, 0.0000286800000000, 0.0003884900000000 ] - [ -0.0006798400000000, -0.0010333900000000, 0.0036767700000000 ] - [ 0.0002122400000000, 0.0006748000000000, 0.0009855900000000 ] - [ -0.0013704700000000, -0.0001119800000000, -0.0002456800000000 ] - [ -0.0004689200000000, 0.0000192100000000, -0.0002272100000000 ] - [ -0.0003883700000000, 0.0002419700000000, -0.0013620900000000 ] - [ -0.0004185600000000, -0.0000736600000000, -0.0006667500000000 ] - [ -0.0168092600000000, -0.0216861300000000, -0.0154259900000000 ] - [ 0.0004588500000000, 0.0051560400000000, -0.0031321500000000 ] - [ -0.0040866200000000, 0.0016912800000000, 0.0010462300000000 ] - [ -0.0012496600000000, -0.0005591500000000, -0.0000648800000000 ] - [ -0.0024656200000000, 0.0004150600000000, -0.0062686400000000 ] - [ -0.0006768300000000, 0.0001598500000000, -0.0017431100000000 ] - [ 0.0023250200000000, -0.0062145100000000, -0.0074400100000000 ] - [ 0.0007201300000000, 0.0034548400000000, -0.0018277400000000 ] - [ -0.0123011200000000, -0.0007640700000000, -0.0452153100000000 ] - [ 0.0016431500000000, 0.0002083600000000, 0.0009004700000000 ] - [ -0.0003473000000000, 0.0003785500000000, -0.0006886600000000 ] - [ -0.0000652200000000, 0.0000512700000000, 0.0001530700000000 ] - [ -0.0022008400000000, -0.0015222000000000, 0.0008349200000000 ] - [ -0.0006360600000000, 0.0005333100000000, 0.0000640400000000 ] - [ -0.0305624100000000, 0.0172843500000000, 0.0103830600000000 ] - [ -0.0004602000000000, -0.0041067800000000, 0.0019293200000000 ] - [ 0.0007512500000000, -0.0003786500000000, 0.0031052100000000 ] - [ 0.0012046100000000, 0.0008975600000000, 0.0026146200000000 ] - [ -0.0008545100000000, -0.0005011700000000, 0.0014564600000000 ] - [ -0.0002575000000000, 0.0000823700000000, 0.0004928600000000 ] - [ -0.0021557500000000, 0.0007970900000000, -0.0004574200000000 ] - [ -0.0016271600000000, -0.0001097900000000, -0.0005869400000000 ] - [ 0.0007136400000000, 0.0024045700000000, -0.0167479100000000 ] - [ 0.0000010900000000, -0.0036782500000000, -0.0019837800000000 ] - [ -0.0062263400000000, 0.0003937900000000, -0.0072055900000000 ] - [ -0.0006437800000000, -0.0018826200000000, 0.0005296500000000 ] - [ 0.3013961500000000, -0.0081897800000000, 0.0152941100000000 ] - [ 0.0025517000000000, 0.0000681900000000, 0.0002197600000000 ] - [ 0.0002450200000000, 0.0061858800000000, -0.0039912700000000 ] - [ 0.0003517700000000, -0.0012819400000000, -0.0007262000000000 ] - [ -0.0054706700000000, 0.0020397500000000, -0.0067279500000000 ] - [ -0.0013516700000000, -0.0000053600000000, -0.0006745200000000 ] - [ -0.0039448000000000, 0.0002315900000000, 0.0029746000000000 ] - [ -0.0010154900000000, 0.0002401200000000, 0.0011138600000000 ] - [ -0.0019603900000000, -0.0003097300000000, -0.0001445900000000 ] - [ -0.0019595600000000, 0.0008048800000000, -0.0003469000000000 ] - [ 0.0001064900000000, 0.0001775600000000, -0.0000671600000000 ] - [ 0.0011779300000000, 0.0001617100000000, -0.0005429500000000 ] - [ 0.0004554300000000, -0.0009008400000000, 0.0005942900000000 ] - [ 0.0004552400000000, 0.0011790200000000, 0.0013539100000000 ] - [ 0.0044666200000000, 0.0115472200000000, 0.0118858200000000 ] - [ -0.0006019900000000, -0.0012446000000000, -0.0000813100000000 ] - [ 0.0013755200000000, -0.0004571600000000, 0.0024634500000000 ] - [ 0.0001547400000000, 0.0004139400000000, 0.0005107000000000 ] - [ -0.0524027800000000, 0.0186919300000000, 0.0103396500000000 ] - [ -0.0014077500000000, 0.0015956300000000, -0.0001205900000000 ] - [ 0.0033902500000000, -0.0004346100000000, 0.0046587800000000 ] - [ 0.0004858800000000, -0.0011534400000000, 0.0012155500000000 ] - [ 0.0113244600000000, -0.0062292000000000, 0.0118006400000000 ] - [ -0.0002891200000000, 0.0008777200000000, -0.0001672000000000 ] - [ -0.0015411200000000, -0.0010169200000000, 0.0011387400000000 ] - [ -0.0003711800000000, 0.0002859300000000, -0.0000846000000000 ] - [ -0.0010924800000000, -0.0002021300000000, 0.0038209200000000 ] - [ 0.0008939900000000, 0.0010499400000000, 0.0004907500000000 ] - [ 0.0005605500000000, -0.0004650200000000, 0.0032431400000000 ] - [ 0.0003975400000000, -0.0009716300000000, 0.0008883300000000 ] - [ 0.0003977300000000, 0.0000640200000000, -0.0000721900000000 ] - [ 0.0000741500000000, -0.0001359700000000, -0.0000293800000000 ] - [ 0.0015091100000000, 0.0008425100000000, 0.0038018200000000 ] - [ 0.0004194600000000, 0.0008153500000000, 0.0007677300000000 ] - [ -0.0482673400000000, -0.0187011000000000, 0.0065285400000000 ] - [ -0.0012614700000000, -0.0017153200000000, -0.0002967800000000 ] - [ 0.0010515200000000, 0.0023930600000000, 0.0009265700000000 ] - [ 0.0006129200000000, -0.0026690200000000, 0.0025333800000000 ] - [ -0.1192204900000000, 0.0036026700000000, -0.0179722900000000 ] - [ -0.0020290300000000, -0.0000403900000000, -0.0009460500000000 ] - [ 0.0007173500000000, 0.0002636900000000, 0.0002868500000000 ] - [ 0.0008822400000000, -0.0002870900000000, 0.0007049900000000 ] - [ 0.0002218000000000, 0.0008944300000000, -0.0003571300000000 ] - [ 0.0006106600000000, -0.0008381300000000, -0.0011676700000000 ] - [ -0.0015697700000000, 0.0019200400000000, 0.0010526800000000 ] - [ -0.0005022300000000, -0.0022156800000000, 0.0006095800000000 ] - [ -0.0045746600000000, -0.0042364800000000, 0.0108822900000000 ] - [ -0.0007715600000000, 0.0002955400000000, -0.0002233400000000 ] - [ 0.0039214800000000, -0.0003868200000000, 0.0036776500000000 ] - [ 0.0013909400000000, -0.0000495800000000, 0.0011297000000000 ] - [ 0.0030483500000000, -0.0004945700000000, 0.0007436700000000 ] - [ 0.0004249900000000, 0.0004472300000000, 0.0001108400000000 ] - [ 0.0024184100000000, 0.0002556500000000, -0.0006556500000000 ] - [ 0.0003742100000000, 0.0000586800000000, -0.0001134700000000 ] - [ 0.0005520300000000, 0.0002156400000000, -0.0002969000000000 ] - [ 0.0002337300000000, -0.0002208300000000, -0.0000352400000000 ] - [ -0.0009875800000000, -0.0001454100000000, -0.0003846700000000 ] - [ -0.0008477600000000, -0.0001773300000000, -0.0002151800000000 ] - [ 0.0014558100000000, -0.0005734800000000, -0.0002208200000000 ] - [ 0.0006959600000000, 0.0001883800000000, 0.0000466000000000 ] - [ 0.0003355300000000, 0.0005272000000000, 0.0000894100000000 ] - [ 0.0001924600000000, -0.0010511300000000, 0.0000230500000000 ] - [ 0.0018342800000000, -0.0004982100000000, -0.0004910200000000 ] - [ 0.0006467800000000, 0.0000577100000000, -0.0002825800000000 ] - [ -0.0000558200000000, 0.0011456200000000, 0.0002159400000000 ] - [ -0.0003237900000000, 0.0006152300000000, 0.0016860600000000 ] - [ 0.0004299300000000, -0.0002845500000000, -0.0003924900000000 ] - [ 0.0003197600000000, 0.0006578100000000, -0.0004568400000000 ] - [ -0.0002642400000000, 0.0000376600000000, -0.0014654600000000 ] - [ -0.0000035900000000, 0.0001612700000000, -0.0006812900000000 ] - [ -0.0012723600000000, -0.0010853100000000, 0.0026654600000000 ] - [ -0.0015463800000000, 0.0061624800000000, 0.0055876500000000 ] - [ 0.0008379700000000, -0.0008856400000000, -0.0019602200000000 ] - [ 0.0004203100000000, -0.0003049800000000, -0.0012057000000000 ] - [ 0.0012019000000000, 0.0005647300000000, -0.0003892800000000 ] - [ 0.0006538200000000, -0.0005080900000000, -0.0002834500000000 ] - [ 0.0008545100000000, 0.0005781300000000, -0.0017301600000000 ] - [ -0.0000161100000000, -0.0001014300000000, -0.0006385900000000 ] - [ 0.0014387100000000, -0.0002409400000000, 0.0005153300000000 ] - [ 0.0014189100000000, -0.0002368300000000, 0.0005321700000000 ] - [ -0.0414026600000000, 0.0009839700000000, 0.0098175000000000 ] - [ -0.0004411100000000, 0.0007631900000000, 0.0000486000000000 ] - [ 0.0059984200000000, -0.0004933200000000, 0.0028256100000000 ] - [ 0.0001770600000000, 0.0006860500000000, 0.0002192400000000 ] - [ 0.0005247100000000, -0.0002317400000000, 0.0001203600000000 ] - [ 0.0001623000000000, -0.0001654900000000, 0.0002949000000000 ] - [ 0.0004819500000000, 0.0000735900000000, -0.0001823500000000 ] - [ 0.0000439600000000, -0.0001580500000000, 0.0002698900000000 ] - [ -0.0002349900000000, 0.0007723100000000, -0.0015893300000000 ] - [ -0.0004755900000000, -0.0011031900000000, -0.0015649000000000 ] - [ 0.0045492700000000, -0.0010150300000000, -0.0049857600000000 ] - [ 0.0005062500000000, 0.0005356900000000, -0.0013412400000000 ] - [ 0.0020313600000000, -0.0036910600000000, 0.0012997900000000 ] - [ 0.0034152100000000, 0.0040464300000000, -0.0008647800000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010147300000000, 0.0002169000000000, -0.0005933400000000 ] - [ 0.0010182800000000, 0.0000730200000000, 0.0004309200000000 ] - [ -0.0000400100000000, -0.0002463700000000, -0.0002170400000000 ] - [ 0.0001747100000000, 0.0002218300000000, 0.0002153000000000 ] - [ 0.0050600300000000, 0.0044182400000000, 0.0004959600000000 ] - [ -0.0049527600000000, 0.0042325300000000, -0.0008512700000000 ] - [ 0.0003575500000000, -0.0005103600000000, 0.0015994300000000 ] - [ -0.0002161100000000, 0.0004833900000000, -0.0004275000000000 ] - [ 0.0002263200000000, -0.0015710400000000, 0.0005540100000000 ] - [ -0.0003026000000000, 0.0007879600000000, 0.0000863900000000 ] - [ 0.0023984400000000, -0.0021189200000000, -0.0034266800000000 ] - [ -0.0001124500000000, 0.0019755500000000, 0.0007908100000000 ] - [ -0.0003236400000000, -0.0005579300000000, -0.0002137300000000 ] - [ 0.0002827900000000, 0.0005246900000000, -0.0000635100000000 ] - [ -0.0006612700000000, -0.0013100300000000, 0.0007134200000000 ] - [ -0.0002292400000000, 0.0008628600000000, -0.0004206800000000 ] - [ 0.0292220300000000, 0.0257299300000000, 0.0277526600000000 ] - [ 0.0000095100000000, 0.0117175300000000, -0.0042068900000000 ] - [ -0.0006438000000000, -0.0007073700000000, 0.0000789200000000 ] - [ -0.0001654300000000, 0.0009561800000000, 0.0002856800000000 ] - [ 0.0001811200000000, -0.0018410800000000, -0.0000498800000000 ] - [ 0.0004942900000000, 0.0015243000000000, 0.0003493600000000 ] - [ 0.0016697900000000, -0.0006156700000000, 0.0005027400000000 ] - [ -0.0009759700000000, 0.0009724700000000, -0.0006825800000000 ] - [ -0.0006724600000000, -0.0048363000000000, -0.0030349500000000 ] - [ -0.0001735500000000, 0.0025529700000000, -0.0003912600000000 ] - [ 0.0002380000000000, -0.0007060100000000, -0.0007244100000000 ] - [ 0.0004808700000000, 0.0009069400000000, 0.0002792700000000 ] - [ 0.0000309700000000, -0.0010753500000000, 0.0002524900000000 ] - [ -0.0001501000000000, 0.0010143200000000, -0.0000441000000000 ] - [ -0.0388460500000000, -0.0009042400000000, 0.0035578800000000 ] - [ -0.0000733700000000, 0.0093081600000000, -0.0024268300000000 ] - [ -0.0002448100000000, 0.0010153300000000, 0.0004335300000000 ] - [ 0.0002116200000000, -0.0010357400000000, 0.0009137500000000 ] - [ -0.0004181000000000, -0.0028506700000000, -0.0002114800000000 ] - [ -0.0001018700000000, 0.0027174100000000, -0.0000304300000000 ] - [ -0.0016396500000000, 0.0014913500000000, -0.0003236700000000 ] - [ 0.0003702900000000, -0.0009076200000000, -0.0002726900000000 ] - [ -0.0034653200000000, 0.0037485900000000, -0.0241102600000000 ] - [ 0.0011504400000000, 0.0084982800000000, 0.0023331300000000 ] - [ -0.0004457200000000, -0.0005489200000000, 0.0000931600000000 ] - [ -0.0000417700000000, 0.0004990200000000, 0.0003541000000000 ] - [ 0.0031560000000000, -0.2843639300000000, 0.0004422100000000 ] - [ -0.0003682600000000, 0.0058437600000000, -0.0007917400000000 ] - [ -0.0002048000000000, -0.0011928000000000, -0.0011537400000000 ] - [ 0.0002332300000000, 0.0015056400000000, 0.0002830300000000 ] - [ 0.0023410900000000, -0.0109464800000000, -0.0056068800000000 ] - [ 0.0002992900000000, 0.0043888700000000, 0.0009872100000000 ] - [ -0.0067627600000000, -0.0007013100000000, 0.0030735500000000 ] - [ 0.0012498700000000, 0.0009137900000000, -0.0011639700000000 ] - [ -0.0011045300000000, 0.0001004400000000, -0.0000078800000000 ] - [ 0.0000083300000000, 0.0000980400000000, 0.0000333700000000 ] - [ 0.0000000600000000, -0.0005020200000000, -0.0009349400000000 ] - [ -0.0010437900000000, 0.0005141300000000, 0.0013174000000000 ] - [ 0.0014746300000000, 0.0001269300000000, 0.0002450300000000 ] - [ -0.0005962500000000, 0.0001230900000000, -0.0001032300000000 ] - [ -0.0002353500000000, 0.0036492700000000, 0.0019184500000000 ] - [ 0.0000410300000000, -0.0012645900000000, 0.0005163300000000 ] - [ 0.0004669900000000, 0.0008339200000000, 0.0004765200000000 ] - [ -0.0004878000000000, -0.0006889100000000, -0.0003285400000000 ] - [ -0.0176093800000000, 0.0889992200000000, 0.0311568600000000 ] - [ 0.0009551600000000, -0.0044220000000000, -0.0002884100000000 ] - [ -0.0074880000000000, 0.0062537000000000, -0.0058218600000000 ] - [ 0.0011796700000000, -0.0043213800000000, 0.0009828200000000 ] - [ -0.0011759900000000, 0.0012378100000000, -0.0009876900000000 ] - [ -0.0000596400000000, -0.0007070700000000, -0.0002274300000000 ] - [ 0.0000755700000000, 0.0005180600000000, 0.0006764100000000 ] - [ -0.0000918900000000, -0.0004236200000000, -0.0003469400000000 ] - [ 0.0028965900000000, 0.0038601200000000, 0.0026640200000000 ] - [ -0.0014461700000000, -0.0031870900000000, -0.0001456600000000 ] - [ 0.0000570700000000, 0.0007297900000000, 0.0000240000000000 ] - [ 0.0002530100000000, -0.0009356000000000, 0.0001267500000000 ] - [ -0.0002342400000000, 0.0007664100000000, 0.0002310900000000 ] - [ -0.0001591800000000, -0.0007147400000000, -0.0001485400000000 ] - [ 0.0000923200000000, 0.0008444000000000, 0.0001786100000000 ] - [ 0.0001914500000000, -0.0006418100000000, -0.0003112900000000 ] - [ 0.0227826500000000, 0.0884488200000000, -0.0218677900000000 ] - [ -0.0012836600000000, -0.0055975200000000, 0.0002918700000000 ] - [ -0.0002264600000000, -0.0002481100000000, 0.0000609800000000 ] - [ -0.0000828600000000, 0.0000592800000000, -0.0004772900000000 ] - [ -0.0038157900000000, 0.0353904900000000, -0.0008832800000000 ] - [ 0.0002680100000000, -0.0020261100000000, 0.0001249400000000 ] - [ 0.0004288600000000, 0.0000089400000000, 0.0001325600000000 ] - [ 0.0001929300000000, 0.0002327500000000, 0.0002444700000000 ] - [ -0.0007983300000000, -0.0000680700000000, -0.0004188800000000 ] - [ 0.0002698700000000, 0.0003522800000000, -0.0000110900000000 ] - [ -0.0007219300000000, -0.0009895000000000, -0.0008496400000000 ] - [ 0.0010632200000000, -0.0001247500000000, 0.0015304900000000 ] - [ 0.0002418400000000, 0.0023815200000000, 0.0006544000000000 ] - [ -0.0003611200000000, -0.0010835200000000, 0.0003577000000000 ] - [ -0.0003036900000000, 0.0022154900000000, 0.0013341900000000 ] - [ -0.0003564100000000, -0.0012493000000000, -0.0001568300000000 ] - [ 0.0000226300000000, 0.0003369000000000, -0.0000416500000000 ] - [ -0.0000288000000000, -0.0001722300000000, -0.0000072000000000 ] - [ 0.0003734000000000, 0.0006506500000000, -0.0002823200000000 ] - [ 0.0001792000000000, -0.0006695700000000, 0.0000649400000000 ] - [ -0.0003130000000000, 0.0012832800000000, 0.0005065600000000 ] - [ 0.0000591800000000, -0.0013381100000000, -0.0002191900000000 ] - [ 0.0003336600000000, 0.0003386800000000, 0.0003605100000000 ] - [ 0.0004440200000000, -0.0001268700000000, -0.0005829700000000 ] - [ -0.0000246700000000, 0.0004357600000000, 0.0000339700000000 ] - [ 0.0001104800000000, -0.0001608600000000, -0.0000664100000000 ] - [ -0.0004040700000000, 0.0001312600000000, 0.0001660700000000 ] - [ 0.0002494600000000, -0.0007956600000000, 0.0005275900000000 ] - [ 0.0023589600000000, -0.0002229500000000, 0.0000119500000000 ] - [ -0.0007590100000000, -0.0001120000000000, 0.0004094700000000 ] - [ -0.0008752700000000, 0.0005500600000000, 0.0002583700000000 ] - [ 0.0007659800000000, -0.0012290700000000, -0.0023533000000000 ] - [ 0.0002971800000000, 0.0005459800000000, 0.0000057600000000 ] - [ -0.0002834800000000, -0.0002473600000000, -0.0000631000000000 ] - [ 0.0000568200000000, 0.0016520000000000, -0.0007455100000000 ] - [ 0.0004450200000000, -0.0015076100000000, 0.0002032800000000 ] - [ 0.0000877500000000, -0.0024053800000000, 0.0047191800000000 ] - [ -0.0003739300000000, -0.0100231100000000, -0.0080786200000000 ] - [ 0.0015503000000000, -0.0010867000000000, -0.0017850800000000 ] - [ -0.0002472100000000, -0.0000641500000000, 0.0003370400000000 ] - [ 0.0003176200000000, 0.0000309700000000, -0.0004041000000000 ] - [ -0.0000029300000000, -0.0006386400000000, -0.0004796900000000 ] - [ 0.0012434700000000, 0.0024668600000000, -0.0014295600000000 ] - [ -0.0006116000000000, -0.0017068100000000, 0.0002402400000000 ] - [ 0.0007942000000000, -0.0003720000000000, 0.0002910000000000 ] - [ -0.0003784100000000, 0.0000580500000000, -0.0000262300000000 ] - [ -0.0019024400000000, 0.0449959100000000, 0.0009231500000000 ] - [ 0.0006801700000000, -0.0028449600000000, 0.0009512600000000 ] - [ 0.0051653100000000, 0.0101143500000000, 0.0053114600000000 ] - [ -0.0008591300000000, -0.0031449200000000, -0.0010780900000000 ] - [ 0.0003017200000000, 0.0008034900000000, 0.0005822500000000 ] - [ 0.0006759300000000, -0.0015177900000000, -0.0002526300000000 ] - [ 0.0002301300000000, -0.0001865100000000, 0.0001496400000000 ] - [ -0.0000956100000000, 0.0002406200000000, -0.0003161200000000 ] - [ -0.0009401000000000, -0.0003753400000000, 0.0000548100000000 ] - [ 0.0008843700000000, -0.0000494200000000, -0.0005358700000000 ] - [ 0.0119257400000000, -0.0002734700000000, -0.0101605600000000 ] - [ -0.0010854700000000, -0.0013319300000000, 0.0018274500000000 ] - [ 0.0060618500000000, -0.0089117200000000, 0.0030353500000000 ] - [ -0.0072962100000000, -0.0112224700000000, 0.0015554100000000 ]- atom: 43 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007581700000000, -0.0002215500000000, 0.0006782300000000 ] - [ -0.0012723400000000, -0.0000741200000000, -0.0003478700000000 ] - [ 0.0003307900000000, 0.0002216900000000, 0.0001463300000000 ] - [ 0.0001168000000000, -0.0002497600000000, -0.0002830300000000 ] - [ -0.0048551500000000, -0.0044674100000000, -0.0005880100000000 ] - [ 0.0051666500000000, -0.0041967200000000, 0.0007543700000000 ] - [ -0.0006507800000000, 0.0004848800000000, -0.0015328000000000 ] - [ -0.0000748600000000, -0.0005109900000000, 0.0004956500000000 ] - [ -0.0004669200000000, 0.0015636200000000, -0.0004825000000000 ] - [ 0.0000429200000000, -0.0007912800000000, -0.0000014300000000 ] - [ -0.0020982300000000, 0.0021011500000000, 0.0033418200000000 ] - [ 0.0004035900000000, -0.0020013900000000, -0.0008591300000000 ] - [ 0.0005877100000000, 0.0005546000000000, 0.0001288100000000 ] - [ -0.0000256100000000, -0.0005286100000000, -0.0000200700000000 ] - [ 0.0003688100000000, 0.0012723400000000, -0.0006408900000000 ] - [ -0.0000608800000000, -0.0008855300000000, 0.0004936500000000 ] - [ -0.0289057300000000, -0.0253250500000000, -0.0277223600000000 ] - [ 0.0000232100000000, -0.0116392400000000, 0.0041941400000000 ] - [ 0.0001303800000000, 0.0008849600000000, 0.0000716000000000 ] - [ -0.0003616000000000, -0.0007512800000000, -0.0001379400000000 ] - [ 0.0002692800000000, 0.0018427500000000, 0.0004357700000000 ] - [ -0.0000489300000000, -0.0015203500000000, 0.0000179400000000 ] - [ -0.0016781400000000, 0.0009084400000000, -0.0004906400000000 ] - [ 0.0009687000000000, -0.0007005800000000, 0.0006796500000000 ] - [ 0.0002341600000000, 0.0048415600000000, 0.0027697600000000 ] - [ -0.0002744900000000, -0.0025454600000000, 0.0000200500000000 ] - [ 0.0002860800000000, 0.0008901700000000, 0.0005690100000000 ] - [ 0.0000478100000000, -0.0007071900000000, -0.0004252600000000 ] - [ -0.0000239400000000, 0.0011722800000000, -0.0002576400000000 ] - [ 0.0001511400000000, -0.0009203800000000, 0.0000413400000000 ] - [ 0.0384307600000000, 0.0008878200000000, -0.0034714900000000 ] - [ -0.0004328800000000, -0.0091393700000000, 0.0025804900000000 ] - [ 0.0007008600000000, -0.0009981800000000, -0.0000710800000000 ] - [ 0.0002292800000000, 0.0010340700000000, -0.0005484300000000 ] - [ 0.0004291600000000, 0.0031264600000000, 0.0002057100000000 ] - [ 0.0001001100000000, -0.0024311000000000, 0.0000329100000000 ] - [ 0.0012036100000000, -0.0014890600000000, -0.0000441800000000 ] - [ -0.0008159200000000, 0.0009130600000000, -0.0000852600000000 ] - [ 0.0040266600000000, -0.0033952800000000, 0.0241208400000000 ] - [ -0.0006167200000000, -0.0082728300000000, -0.0024732500000000 ] - [ 0.0001953500000000, 0.0004768100000000, 0.0000618900000000 ] - [ -0.0002340800000000, -0.0005677800000000, -0.0002304900000000 ] - [ -0.0125252900000000, 0.2832365400000000, 0.0054814700000000 ] - [ -0.0004069600000000, -0.0056748700000000, 0.0009370700000000 ] - [ 0.0004745500000000, 0.0010942700000000, 0.0010313200000000 ] - [ 0.0000347500000000, -0.0015767500000000, -0.0004149300000000 ] - [ -0.0015794500000000, 0.0110785500000000, 0.0055084100000000 ] - [ 0.0004832700000000, -0.0042141600000000, -0.0011424200000000 ] - [ 0.0065193100000000, 0.0006324200000000, -0.0029592700000000 ] - [ -0.0015190600000000, -0.0009891300000000, 0.0012948100000000 ] - [ 0.0003321000000000, 0.0000710400000000, 0.0001530600000000 ] - [ -0.0007808100000000, 0.0000696700000000, 0.0001142000000000 ] - [ 0.0003000000000000, 0.0004310700000000, 0.0007861600000000 ] - [ 0.0013075300000000, -0.0005913600000000, -0.0014401100000000 ] - [ -0.0007021400000000, 0.0000494800000000, -0.0003970200000000 ] - [ 0.0013660200000000, 0.0000452100000000, -0.0000508400000000 ] - [ -0.0001043200000000, -0.0037772700000000, -0.0017347200000000 ] - [ -0.0003730200000000, 0.0011895800000000, -0.0002931200000000 ] - [ -0.0004998100000000, -0.0006205000000000, -0.0004601300000000 ] - [ 0.0004617400000000, 0.0009009600000000, 0.0003552700000000 ] - [ 0.0209587800000000, -0.0941460500000000, -0.0343615500000000 ] - [ -0.0010949900000000, 0.0047577400000000, 0.0002897500000000 ] - [ 0.0072874700000000, -0.0069039400000000, 0.0066789800000000 ] - [ -0.0013663800000000, 0.0036596700000000, -0.0000951600000000 ] - [ 0.0011597200000000, -0.0009881100000000, 0.0009075200000000 ] - [ 0.0001001400000000, 0.0009087400000000, 0.0002099600000000 ] - [ 0.0001073000000000, -0.0003337400000000, -0.0008009900000000 ] - [ 0.0002711700000000, 0.0006028800000000, 0.0002172400000000 ] - [ -0.0027110800000000, -0.0035267900000000, -0.0026838200000000 ] - [ 0.0015568600000000, 0.0035139200000000, 0.0001544100000000 ] - [ 0.0002805400000000, -0.0008147800000000, -0.0002450600000000 ] - [ 0.0000847600000000, 0.0008483800000000, -0.0003382000000000 ] - [ -0.0001389000000000, -0.0008119600000000, -0.0001573400000000 ] - [ -0.0002106500000000, 0.0006744000000000, 0.0002239500000000 ] - [ 0.0002824100000000, -0.0008046300000000, -0.0002422400000000 ] - [ 0.0001843800000000, 0.0006807200000000, 0.0002622400000000 ] - [ -0.0189395400000000, -0.0825288300000000, 0.0188630600000000 ] - [ 0.0014594900000000, 0.0049381500000000, -0.0011764900000000 ] - [ -0.0002124800000000, -0.0002547400000000, -0.0004472400000000 ] - [ -0.0003605400000000, -0.0005426500000000, 0.0000797500000000 ] - [ 0.0048316600000000, -0.0356661400000000, 0.0010758700000000 ] - [ -0.0001906200000000, 0.0018064300000000, -0.0001951100000000 ] - [ 0.0002102400000000, 0.0002755800000000, 0.0000847900000000 ] - [ 0.0004393300000000, 0.0000594900000000, -0.0000323000000000 ] - [ 0.0001692600000000, 0.0003634800000000, 0.0002127200000000 ] - [ -0.0008995100000000, -0.0000531200000000, -0.0001948600000000 ] - [ 0.0011626100000000, 0.0004902300000000, 0.0012344900000000 ] - [ -0.0006177500000000, -0.0003635200000000, -0.0011392400000000 ] - [ -0.0006084200000000, -0.0023221300000000, -0.0006308800000000 ] - [ -0.0000207100000000, 0.0011179600000000, -0.0002948000000000 ] - [ 0.0002082800000000, -0.0024272700000000, -0.0012919600000000 ] - [ 0.0002684700000000, 0.0010271300000000, 0.0002163800000000 ] - [ -0.0002068600000000, -0.0001553300000000, 0.0001569300000000 ] - [ -0.0001449500000000, 0.0003483300000000, 0.0001196300000000 ] - [ -0.0000107200000000, -0.0007017600000000, 0.0002150500000000 ] - [ 0.0001920800000000, 0.0006131300000000, -0.0001337100000000 ] - [ -0.0000246600000000, -0.0013665600000000, -0.0002930200000000 ] - [ -0.0003993400000000, 0.0012488700000000, 0.0004325300000000 ] - [ -0.0003854500000000, -0.0001483700000000, -0.0003334700000000 ] - [ -0.0004676600000000, 0.0003385200000000, 0.0006031900000000 ] - [ -0.0001066300000000, -0.0000967000000000, -0.0000362700000000 ] - [ -0.0002419300000000, 0.0004973700000000, 0.0000656300000000 ] - [ 0.0002179200000000, -0.0007932900000000, 0.0007134000000000 ] - [ -0.0004332200000000, 0.0001386800000000, 0.0003524400000000 ] - [ -0.0023414900000000, 0.0004369800000000, -0.0000331300000000 ] - [ 0.0007921200000000, 0.0003188100000000, -0.0004349500000000 ] - [ 0.0010557400000000, -0.0004122100000000, -0.0003057200000000 ] - [ -0.0005852000000000, 0.0014041200000000, 0.0022185200000000 ] - [ -0.0001734600000000, -0.0002083000000000, -0.0000005700000000 ] - [ 0.0003978200000000, 0.0005795900000000, 0.0000687700000000 ] - [ 0.0002795500000000, -0.0017317200000000, 0.0005323800000000 ] - [ -0.0001125300000000, 0.0014253900000000, -0.0004170000000000 ] - [ -0.0004798800000000, 0.0023534500000000, -0.0046841900000000 ] - [ -0.0000275700000000, 0.0099191400000000, 0.0081294700000000 ] - [ -0.0011745700000000, 0.0011301000000000, 0.0017340400000000 ] - [ 0.0006215300000000, 0.0001040400000000, -0.0003895100000000 ] - [ -0.0001337400000000, -0.0006921000000000, -0.0004740300000000 ] - [ 0.0001885400000000, -0.0000179800000000, -0.0004001800000000 ] - [ -0.0016850500000000, -0.0029598000000000, 0.0010480000000000 ] - [ 0.0001728500000000, 0.0012127900000000, -0.0006283800000000 ] - [ -0.0007132100000000, 0.0001519400000000, -0.0003544200000000 ] - [ 0.0004583400000000, -0.0002779100000000, -0.0000426200000000 ] - [ 0.0026040600000000, -0.0446458400000000, -0.0014874900000000 ] - [ -0.0000442800000000, 0.0031294200000000, -0.0007359600000000 ] - [ -0.0058540100000000, -0.0098073300000000, -0.0055623200000000 ] - [ 0.0002282900000000, 0.0034495100000000, 0.0008737800000000 ] - [ 0.0001286200000000, -0.0012906200000000, -0.0001897900000000 ] - [ -0.0002340100000000, 0.0010208800000000, 0.0006368100000000 ] - [ -0.0006138200000000, 0.0002205300000000, -0.0000865100000000 ] - [ -0.0002826800000000, -0.0001978800000000, 0.0003685700000000 ] - [ 0.0008620400000000, 0.0001513600000000, 0.0000185300000000 ] - [ -0.0009602600000000, -0.0001680800000000, 0.0005948900000000 ] - [ -0.0121244200000000, 0.0004748200000000, 0.0102854200000000 ] - [ 0.0009028500000000, 0.0015112800000000, -0.0017151100000000 ] - [ -0.0056362400000000, 0.0088274100000000, -0.0030808500000000 ] - [ 0.0077509800000000, 0.0112278700000000, -0.0016280600000000 ]- atom: 43 displacement: [ -0.0066066504307377, 0.0000000000000000, 0.0075068082489187 ] forces: - [ -0.0003694100000000, -0.0001923000000000, -0.0007703700000000 ] - [ -0.0008727100000000, -0.0000926800000000, -0.0005369500000000 ] - [ 0.0002839000000000, -0.0002075200000000, 0.0005017400000000 ] - [ 0.0000395300000000, 0.0001855800000000, -0.0002323000000000 ] - [ 0.0021262800000000, -0.0022103400000000, -0.0019569100000000 ] - [ 0.0024390300000000, 0.0021166200000000, -0.0007294500000000 ] - [ 0.0001894000000000, 0.0000490000000000, 0.0016515800000000 ] - [ -0.0000554300000000, -0.0000632900000000, 0.0005162200000000 ] - [ -0.0064575000000000, 0.0004285800000000, 0.0026854000000000 ] - [ 0.0000941800000000, -0.0001469100000000, 0.0000152900000000 ] - [ -0.0019920400000000, -0.0016751800000000, 0.0036713600000000 ] - [ -0.0001350900000000, 0.0007723700000000, 0.0009301900000000 ] - [ -0.0010086600000000, -0.0000026300000000, 0.0000955700000000 ] - [ -0.0003202000000000, -0.0000711600000000, -0.0000202300000000 ] - [ 0.0007579000000000, 0.0022358200000000, 0.0013142700000000 ] - [ -0.0000263500000000, -0.0010298900000000, -0.0000015000000000 ] - [ -0.0083855800000000, -0.0056697100000000, -0.0220808200000000 ] - [ 0.0047076200000000, 0.0032414300000000, -0.0095904800000000 ] - [ -0.0017318100000000, 0.0010283300000000, 0.0007841500000000 ] - [ -0.0005365900000000, -0.0005073200000000, 0.0001325200000000 ] - [ 0.0008837600000000, 0.0008013900000000, -0.0019815900000000 ] - [ 0.0001299500000000, -0.0001879000000000, -0.0007211400000000 ] - [ 0.0026141700000000, -0.0021770800000000, -0.0025005900000000 ] - [ 0.0014014700000000, 0.0012528200000000, -0.0005931400000000 ] - [ 0.0095047600000000, -0.0017769500000000, -0.0120512200000000 ] - [ 0.0010431400000000, -0.0001542600000000, 0.0003113400000000 ] - [ -0.0005646400000000, 0.0002676800000000, 0.0007969200000000 ] - [ -0.0002363000000000, -0.0000332500000000, 0.0006646200000000 ] - [ -0.0014093400000000, -0.0002915300000000, 0.0006313800000000 ] - [ -0.0004346800000000, 0.0002054900000000, 0.0001264400000000 ] - [ -0.0354829400000000, 0.0150658000000000, 0.0076243700000000 ] - [ -0.0003229400000000, -0.0045272800000000, 0.0018499600000000 ] - [ -0.0030868700000000, -0.0029265600000000, 0.0022138700000000 ] - [ -0.0004007700000000, 0.0023131200000000, 0.0014821300000000 ] - [ -0.0032378100000000, 0.0006119000000000, 0.0028308300000000 ] - [ -0.0006888200000000, -0.0007219800000000, 0.0009175600000000 ] - [ -0.0030608500000000, 0.0002954300000000, 0.0013809500000000 ] - [ -0.0014396400000000, 0.0004400400000000, 0.0003145800000000 ] - [ 0.0222338600000000, -0.0278085100000000, 0.0040003500000000 ] - [ 0.0001570600000000, -0.0029633300000000, -0.0016783900000000 ] - [ -0.0020475900000000, 0.0002789100000000, -0.0030983600000000 ] - [ 0.0001604400000000, -0.0011352000000000, 0.0002834200000000 ] - [ 0.1859739500000000, -0.0059904400000000, -0.2043244700000000 ] - [ 0.0014410500000000, -0.0005793200000000, -0.0005996400000000 ] - [ 0.0001462500000000, 0.0009537100000000, 0.0002210500000000 ] - [ 0.0001018000000000, -0.0001753500000000, 0.0001371400000000 ] - [ 0.0015330600000000, 0.0055642700000000, -0.0104870300000000 ] - [ -0.0003078500000000, -0.0007790600000000, -0.0012363600000000 ] - [ -0.0058882900000000, 0.0003075400000000, 0.0038624000000000 ] - [ -0.0013086600000000, 0.0000900300000000, 0.0013285700000000 ] - [ -0.0011109300000000, -0.0002062200000000, 0.0003026500000000 ] - [ -0.0012598300000000, 0.0004992500000000, 0.0001719300000000 ] - [ -0.0041454700000000, -0.0006947300000000, 0.0047824400000000 ] - [ 0.0011047200000000, 0.0001599700000000, -0.0005224200000000 ] - [ -0.0006410800000000, -0.0005457700000000, -0.0001209300000000 ] - [ -0.0000694300000000, 0.0005637000000000, 0.0003820400000000 ] - [ 0.0011699000000000, 0.0057338200000000, 0.0059396100000000 ] - [ -0.0006075300000000, -0.0003886000000000, -0.0000151500000000 ] - [ -0.0002315800000000, -0.0000619100000000, 0.0001179300000000 ] - [ -0.0001251200000000, 0.0001632300000000, -0.0000049700000000 ] - [ -0.0417764100000000, 0.0334460000000000, 0.0492266100000000 ] - [ -0.0010870300000000, 0.0018688500000000, 0.0002701600000000 ] - [ 0.0002993900000000, -0.0036878100000000, 0.0070924300000000 ] - [ -0.0009915900000000, 0.0004768900000000, 0.0018987900000000 ] - [ 0.0051529400000000, -0.0029860400000000, 0.0059723600000000 ] - [ -0.0005524100000000, 0.0005931000000000, -0.0001993300000000 ] - [ -0.0003077600000000, -0.0001487500000000, -0.0005686900000000 ] - [ 0.0000621300000000, 0.0000961300000000, -0.0005237800000000 ] - [ -0.0107199700000000, 0.0010124200000000, 0.0047689100000000 ] - [ 0.0003914200000000, 0.0009331000000000, 0.0005703500000000 ] - [ -0.0002333400000000, -0.0003183700000000, 0.0010198000000000 ] - [ 0.0000725500000000, -0.0002062800000000, 0.0002082900000000 ] - [ 0.0002847800000000, -0.0002550800000000, -0.0004318000000000 ] - [ 0.0000489700000000, -0.0000433800000000, -0.0001589900000000 ] - [ -0.0000776800000000, 0.0001179900000000, 0.0015672100000000 ] - [ 0.0000499100000000, 0.0005802600000000, 0.0004493400000000 ] - [ -0.0380223600000000, -0.0282148900000000, 0.0434061600000000 ] - [ -0.0008971000000000, -0.0008422100000000, 0.0010504900000000 ] - [ -0.0002714800000000, 0.0010110300000000, 0.0001692400000000 ] - [ -0.0003193200000000, -0.0016286500000000, 0.0011473900000000 ] - [ -0.0659979000000000, 0.0013593200000000, 0.0231583400000000 ] - [ -0.0012298300000000, 0.0000849700000000, -0.0003490000000000 ] - [ 0.0005637100000000, 0.0002623400000000, -0.0001502300000000 ] - [ 0.0006925000000000, -0.0000075500000000, -0.0000236900000000 ] - [ -0.0000390900000000, 0.0005849300000000, 0.0000116000000000 ] - [ -0.0000064400000000, -0.0003487900000000, -0.0005301600000000 ] - [ -0.0010675400000000, 0.0002638600000000, 0.0000440000000000 ] - [ -0.0007182000000000, -0.0003702600000000, -0.0000374600000000 ] - [ -0.0041478400000000, -0.0007134200000000, 0.0029864800000000 ] - [ -0.0005648400000000, 0.0001137400000000, -0.0001558100000000 ] - [ 0.0006426500000000, -0.0013401600000000, 0.0024412800000000 ] - [ 0.0004768200000000, 0.0001704600000000, 0.0005882100000000 ] - [ 0.0007789500000000, -0.0003138300000000, 0.0001098600000000 ] - [ -0.0002415000000000, 0.0004564400000000, 0.0000312400000000 ] - [ 0.0011830500000000, -0.0000474800000000, -0.0002882300000000 ] - [ 0.0002629900000000, 0.0001525500000000, -0.0001126600000000 ] - [ 0.0007421100000000, -0.0005034300000000, -0.0009694500000000 ] - [ 0.0005591100000000, 0.0002081400000000, -0.0003611600000000 ] - [ 0.0030071300000000, 0.0021439600000000, -0.0024777200000000 ] - [ -0.0005281700000000, -0.0003198300000000, -0.0000414200000000 ] - [ 0.0007182000000000, -0.0003115700000000, -0.0003215900000000 ] - [ 0.0002745200000000, 0.0002611600000000, -0.0001433200000000 ] - [ 0.0006046300000000, 0.0000050500000000, 0.0002194400000000 ] - [ 0.0002291900000000, -0.0007403500000000, 0.0002099600000000 ] - [ 0.0027111400000000, -0.0005205600000000, -0.0007333800000000 ] - [ 0.0008167400000000, 0.0000068700000000, -0.0004309300000000 ] - [ 0.0000355200000000, 0.0045097000000000, -0.0080893900000000 ] - [ -0.0003610100000000, 0.0005536500000000, 0.0016105100000000 ] - [ 0.0007744100000000, -0.0000886500000000, -0.0003617600000000 ] - [ 0.0006319900000000, 0.0006678000000000, -0.0003459600000000 ] - [ 0.0012957900000000, -0.0012946000000000, -0.0017086300000000 ] - [ 0.0005128000000000, 0.0011393300000000, -0.0008415600000000 ] - [ -0.0049150000000000, 0.0087417500000000, 0.0070025400000000 ] - [ -0.0017551900000000, 0.0052451700000000, 0.0073965300000000 ] - [ 0.0022856200000000, -0.0008350000000000, -0.0025420000000000 ] - [ 0.0009584000000000, -0.0005314100000000, -0.0012305200000000 ] - [ 0.0006472000000000, 0.0000419400000000, -0.0006889300000000 ] - [ 0.0004084200000000, -0.0003823500000000, -0.0004520800000000 ] - [ 0.0020610200000000, 0.0007378600000000, -0.0020709400000000 ] - [ 0.0003415100000000, 0.0002228200000000, -0.0007368100000000 ] - [ 0.0009558900000000, -0.0001495400000000, -0.0001898600000000 ] - [ 0.0008212500000000, -0.0002200800000000, 0.0000196200000000 ] - [ -0.0341954700000000, 0.0003007100000000, 0.0856185700000000 ] - [ -0.0002064700000000, 0.0009096500000000, 0.0005890000000000 ] - [ 0.0069298500000000, 0.0005540300000000, 0.0061948500000000 ] - [ 0.0000877300000000, 0.0009926600000000, 0.0005498700000000 ] - [ 0.0018794400000000, -0.0013742500000000, -0.0015331000000000 ] - [ 0.0001929100000000, 0.0000251400000000, 0.0001533000000000 ] - [ 0.0013843500000000, 0.0015618700000000, -0.0025672500000000 ] - [ 0.0001028800000000, -0.0003566000000000, -0.0001559000000000 ] - [ 0.0011798100000000, 0.0009638900000000, -0.0002345300000000 ] - [ 0.0002161000000000, -0.0009832000000000, -0.0003438000000000 ] - [ 0.0065442300000000, -0.0014411400000000, -0.0055879100000000 ] - [ 0.0008176100000000, 0.0005898500000000, -0.0013249800000000 ] - [ 0.0044961000000000, -0.0076863300000000, 0.0036444500000000 ] - [ 0.0048077600000000, 0.0056128000000000, -0.0005008500000000 ]- atom: 43 displacement: [ 0.0066066504307377, 0.0000000000000000, -0.0075068082489187 ] forces: - [ 0.0001139900000000, 0.0001843600000000, 0.0008532100000000 ] - [ 0.0006133700000000, 0.0000915100000000, 0.0006191300000000 ] - [ 0.0000081000000000, 0.0001815400000000, -0.0005716200000000 ] - [ 0.0002530500000000, -0.0002129000000000, 0.0001627500000000 ] - [ -0.0018673100000000, 0.0022088200000000, 0.0018607700000000 ] - [ -0.0021720900000000, -0.0021258200000000, 0.0006347400000000 ] - [ -0.0004814100000000, -0.0000793300000000, -0.0015866300000000 ] - [ -0.0002362300000000, 0.0000380800000000, -0.0004453400000000 ] - [ 0.0061327400000000, -0.0004312900000000, -0.0025851800000000 ] - [ -0.0003506400000000, 0.0001427300000000, 0.0000676100000000 ] - [ 0.0022976300000000, 0.0016717200000000, -0.0037507000000000 ] - [ 0.0004241300000000, -0.0007983400000000, -0.0009955700000000 ] - [ 0.0012688100000000, -0.0000009200000000, -0.0001805500000000 ] - [ 0.0005755700000000, 0.0000672900000000, -0.0000642600000000 ] - [ -0.0010464600000000, -0.0022649100000000, -0.0012408400000000 ] - [ -0.0002639100000000, 0.0010030500000000, 0.0000729800000000 ] - [ 0.0083646900000000, 0.0057654700000000, 0.0219741400000000 ] - [ -0.0046791800000000, -0.0031519300000000, 0.0095426800000000 ] - [ 0.0012136700000000, -0.0008403800000000, -0.0006367400000000 ] - [ 0.0000111300000000, 0.0006906100000000, 0.0000192000000000 ] - [ -0.0004394900000000, -0.0007946100000000, 0.0023675600000000 ] - [ 0.0003144100000000, 0.0001967400000000, 0.0010860900000000 ] - [ -0.0026159500000000, 0.0024596100000000, 0.0025093400000000 ] - [ -0.0014061200000000, -0.0009722200000000, 0.0005994400000000 ] - [ -0.0099961100000000, 0.0017840200000000, 0.0118531600000000 ] - [ -0.0014851600000000, 0.0001608000000000, -0.0006751500000000 ] - [ 0.0010878400000000, -0.0000761700000000, -0.0009548300000000 ] - [ 0.0007601300000000, 0.0002162200000000, -0.0008164600000000 ] - [ 0.0014065800000000, 0.0003861700000000, -0.0006370700000000 ] - [ 0.0004332400000000, -0.0001125500000000, -0.0001268000000000 ] - [ 0.0351725200000000, -0.0151990500000000, -0.0075248300000000 ] - [ -0.0002019700000000, 0.0046801300000000, -0.0016860700000000 ] - [ 0.0035261300000000, 0.0029215100000000, -0.0018418600000000 ] - [ 0.0008415000000000, -0.0022946300000000, -0.0011140000000000 ] - [ 0.0032442300000000, -0.0003319000000000, -0.0028206200000000 ] - [ 0.0006875700000000, 0.0010010600000000, -0.0009129500000000 ] - [ 0.0026175100000000, -0.0002965100000000, -0.0017451200000000 ] - [ 0.0009913400000000, -0.0004257500000000, -0.0006770500000000 ] - [ -0.0217010400000000, 0.0280175700000000, -0.0040156900000000 ] - [ 0.0003734400000000, 0.0031560200000000, 0.0015206700000000 ] - [ 0.0017907700000000, -0.0003504900000000, 0.0032406200000000 ] - [ -0.0004273800000000, 0.0010611200000000, -0.0001540800000000 ] - [ -0.1886900400000000, 0.0081602100000000, 0.2006583100000000 ] - [ -0.0022128700000000, 0.0007437100000000, 0.0007411000000000 ] - [ 0.0001233200000000, -0.0010083400000000, -0.0003576700000000 ] - [ 0.0001681000000000, 0.0000989500000000, -0.0002632500000000 ] - [ -0.0007577800000000, -0.0053674000000000, 0.0103483200000000 ] - [ 0.0010821800000000, 0.0009453200000000, 0.0010787600000000 ] - [ 0.0056266600000000, -0.0003814600000000, -0.0037369700000000 ] - [ 0.0010335900000000, -0.0001605400000000, -0.0011903300000000 ] - [ 0.0003355900000000, 0.0003772000000000, -0.0001537400000000 ] - [ 0.0004842800000000, -0.0003282200000000, -0.0000244400000000 ] - [ 0.0044472400000000, 0.0006228600000000, -0.0049181500000000 ] - [ -0.0008320800000000, -0.0002344500000000, 0.0003943000000000 ] - [ 0.0014108300000000, 0.0007124300000000, -0.0000320500000000 ] - [ 0.0008402300000000, -0.0003905900000000, -0.0005370400000000 ] - [ -0.0015050100000000, -0.0058304900000000, -0.0057429500000000 ] - [ 0.0002703100000000, 0.0002945100000000, 0.0002126200000000 ] - [ 0.0002011000000000, 0.0002624500000000, -0.0000889200000000 ] - [ 0.0000917000000000, 0.0000397300000000, 0.0000307800000000 ] - [ 0.0432676600000000, -0.0361576700000000, -0.0506068400000000 ] - [ 0.0009655000000000, -0.0015223400000000, -0.0002707500000000 ] - [ -0.0004883100000000, 0.0030069900000000, -0.0062024800000000 ] - [ 0.0007987300000000, -0.0011294400000000, -0.0010129700000000 ] - [ -0.0051525800000000, 0.0032255000000000, -0.0060404400000000 ] - [ 0.0005761800000000, -0.0003813700000000, 0.0001710000000000 ] - [ 0.0004888700000000, 0.0003259200000000, 0.0004545000000000 ] - [ 0.0001204700000000, 0.0000846700000000, 0.0003964000000000 ] - [ 0.0108282100000000, -0.0006617300000000, -0.0047853500000000 ] - [ -0.0002721800000000, -0.0005956900000000, -0.0005640100000000 ] - [ 0.0005702100000000, 0.0002484100000000, -0.0012439500000000 ] - [ 0.0002604000000000, 0.0001219200000000, -0.0004099500000000 ] - [ -0.0006515400000000, 0.0002053000000000, 0.0005017700000000 ] - [ -0.0004113700000000, -0.0000036400000000, 0.0002264100000000 ] - [ 0.0004588100000000, -0.0000813600000000, -0.0016310500000000 ] - [ 0.0003325000000000, -0.0005422100000000, -0.0005075200000000 ] - [ 0.0391577400000000, 0.0295293200000000, -0.0447323500000000 ] - [ 0.0010808500000000, 0.0001827100000000, -0.0019236300000000 ] - [ -0.0001770000000000, -0.0015119900000000, -0.0005581400000000 ] - [ -0.0001097000000000, 0.0011446600000000, -0.0015377900000000 ] - [ 0.0651269300000000, -0.0015460300000000, -0.0237613700000000 ] - [ 0.0013105400000000, -0.0003035700000000, 0.0002858500000000 ] - [ 0.0000749200000000, 0.0000259800000000, 0.0003609600000000 ] - [ -0.0000585700000000, 0.0002987900000000, 0.0002317000000000 ] - [ -0.0005989800000000, -0.0002978700000000, -0.0002185500000000 ] - [ -0.0006348100000000, 0.0006331900000000, 0.0003228100000000 ] - [ 0.0015169000000000, -0.0007638500000000, 0.0003384500000000 ] - [ 0.0011485200000000, -0.0001247900000000, 0.0004152600000000 ] - [ 0.0037958400000000, 0.0007420200000000, -0.0029240400000000 ] - [ 0.0001902200000000, -0.0000702500000000, 0.0002017600000000 ] - [ -0.0007349600000000, 0.0011137700000000, -0.0023784100000000 ] - [ -0.0005558400000000, -0.0003893100000000, -0.0005110600000000 ] - [ -0.0009650900000000, 0.0004951000000000, 0.0000196600000000 ] - [ 0.0000591900000000, -0.0002765000000000, 0.0000961900000000 ] - [ -0.0008205100000000, 0.0000042100000000, 0.0002229900000000 ] - [ 0.0001009600000000, -0.0001978100000000, 0.0000445100000000 ] - [ -0.0010786700000000, 0.0004134700000000, 0.0011697200000000 ] - [ -0.0008935700000000, -0.0002907100000000, 0.0005672700000000 ] - [ -0.0030432000000000, -0.0019297300000000, 0.0024894500000000 ] - [ 0.0004918800000000, 0.0005198100000000, 0.0000676500000000 ] - [ -0.0008354100000000, 0.0006483800000000, 0.0003190300000000 ] - [ -0.0003920300000000, 0.0000749700000000, 0.0001394200000000 ] - [ -0.0007886700000000, -0.0006595000000000, 0.0006621400000000 ] - [ -0.0004181100000000, 0.0000828100000000, 0.0006670800000000 ] - [ -0.0026875400000000, 0.0007324100000000, 0.0007063400000000 ] - [ -0.0007819400000000, 0.0001982000000000, 0.0003996900000000 ] - [ 0.0001568800000000, -0.0043750400000000, 0.0080595000000000 ] - [ 0.0005397200000000, -0.0003734100000000, -0.0017307100000000 ] - [ -0.0006434700000000, 0.0004230900000000, 0.0003647100000000 ] - [ -0.0005104700000000, -0.0003298300000000, 0.0003495100000000 ] - [ -0.0009606000000000, 0.0012080400000000, 0.0014922300000000 ] - [ -0.0001768400000000, -0.0012235600000000, 0.0006314600000000 ] - [ 0.0045168900000000, -0.0087572000000000, -0.0069339400000000 ] - [ 0.0013742500000000, -0.0053137300000000, -0.0073193100000000 ] - [ -0.0019133900000000, 0.0008796800000000, 0.0024963700000000 ] - [ -0.0005750300000000, 0.0005666900000000, 0.0011703900000000 ] - [ -0.0004603000000000, -0.0006984700000000, -0.0001880300000000 ] - [ -0.0002192400000000, -0.0002740100000000, -0.0004227100000000 ] - [ -0.0024917000000000, -0.0012234200000000, 0.0016826900000000 ] - [ -0.0007744100000000, -0.0007142500000000, 0.0003506600000000 ] - [ -0.0008746300000000, -0.0000695200000000, 0.0001218200000000 ] - [ -0.0007404400000000, -0.0000012600000000, -0.0000910100000000 ] - [ 0.0349313400000000, -0.0007221200000000, -0.0793559800000000 ] - [ 0.0008416100000000, -0.0006181500000000, -0.0003774100000000 ] - [ -0.0075766000000000, -0.0002602600000000, -0.0064176600000000 ] - [ -0.0007248100000000, -0.0006979400000000, -0.0007561400000000 ] - [ -0.0014544400000000, 0.0008870500000000, 0.0019178600000000 ] - [ 0.0002423800000000, -0.0005166800000000, 0.0002303800000000 ] - [ -0.0017680100000000, -0.0015224900000000, 0.0026201100000000 ] - [ -0.0004833900000000, 0.0003962400000000, 0.0002090700000000 ] - [ -0.0012552000000000, -0.0011783300000000, 0.0002986800000000 ] - [ -0.0002925900000000, 0.0007579800000000, 0.0004210100000000 ] - [ -0.0067171000000000, 0.0016420800000000, 0.0056935600000000 ] - [ -0.0009941600000000, -0.0004075800000000, 0.0014414500000000 ] - [ -0.0040708100000000, 0.0076002000000000, -0.0036847500000000 ] - [ -0.0043679300000000, -0.0055873000000000, 0.0004260800000000 ]- atom: 57 displacement: [ 0.0099999989202427, 0.0000000000000000, 0.0000046470576681 ] forces: - [ -0.0000722900000000, 0.0000792400000000, -0.0004235100000000 ] - [ -0.0001195200000000, -0.0000493600000000, -0.0000558000000000 ] - [ -0.0027158000000000, 0.0000911500000000, -0.0001780000000000 ] - [ 0.0000113300000000, -0.0001559200000000, -0.0000318300000000 ] - [ 0.0027562500000000, -0.0009159100000000, 0.0017831200000000 ] - [ 0.0005482400000000, -0.0006044500000000, -0.0000093800000000 ] - [ -0.0010207000000000, 0.0003096300000000, 0.0013436700000000 ] - [ -0.0001950700000000, -0.0001676400000000, 0.0001999700000000 ] - [ 0.0006192300000000, 0.0001940000000000, -0.0000848200000000 ] - [ 0.0000355300000000, -0.0000495000000000, 0.0001339100000000 ] - [ -0.0005582300000000, -0.0003420300000000, -0.0000298600000000 ] - [ -0.0001579700000000, 0.0002043600000000, 0.0000079600000000 ] - [ -0.0001317300000000, 0.0000705400000000, -0.0000095000000000 ] - [ -0.0000090100000000, -0.0000738700000000, -0.0000429400000000 ] - [ -0.0005411200000000, 0.0001636100000000, -0.0003704600000000 ] - [ -0.0006874500000000, -0.0002311900000000, -0.0003689000000000 ] - [ -0.0009251900000000, -0.0009036100000000, -0.0011490200000000 ] - [ -0.0003923300000000, 0.0007343200000000, -0.0008526500000000 ] - [ -0.0006734700000000, 0.0016961100000000, 0.0009732800000000 ] - [ -0.0013209200000000, -0.0014694900000000, 0.0015247500000000 ] - [ 0.0045924500000000, 0.0003719700000000, -0.0029907900000000 ] - [ 0.0020096000000000, -0.0008214500000000, -0.0011814100000000 ] - [ 0.0236617400000000, -0.0088532800000000, -0.0173810400000000 ] - [ 0.0023250600000000, -0.0002322600000000, -0.0001283200000000 ] - [ 0.0454202500000000, 0.0551463600000000, 0.0053536400000000 ] - [ 0.0021671900000000, -0.0005671300000000, -0.0003577500000000 ] - [ 0.0000511700000000, 0.0005776200000000, 0.0020819700000000 ] - [ -0.0000299200000000, -0.0000221300000000, 0.0013514400000000 ] - [ -0.0010995700000000, 0.0001200500000000, 0.0019949500000000 ] - [ -0.0004282200000000, -0.0003732100000000, 0.0006728200000000 ] - [ -0.0028123100000000, 0.0006130400000000, -0.0001883100000000 ] - [ -0.0004668800000000, -0.0002667100000000, -0.0000079100000000 ] - [ 0.0000964900000000, 0.0001509200000000, 0.0003982900000000 ] - [ 0.0001027200000000, -0.0001434000000000, 0.0002194300000000 ] - [ -0.0006377400000000, 0.0002521600000000, -0.0001752600000000 ] - [ -0.0003265500000000, 0.0000399700000000, -0.0000804600000000 ] - [ -0.0010967500000000, 0.0000977400000000, -0.0002466900000000 ] - [ -0.0006031300000000, -0.0000461800000000, -0.0002633800000000 ] - [ -0.0006024500000000, 0.0009048300000000, -0.0023271100000000 ] - [ 0.0000399000000000, -0.0002888200000000, -0.0005950400000000 ] - [ -0.0000167100000000, 0.0030290500000000, 0.0010317200000000 ] - [ -0.0004082100000000, -0.0058291300000000, 0.0037231700000000 ] - [ -0.0049989400000000, 0.0000127500000000, -0.0022063100000000 ] - [ 0.0000496000000000, 0.0002942400000000, -0.0001292400000000 ] - [ 0.0029046300000000, -0.0063212200000000, 0.0063413000000000 ] - [ 0.0004773600000000, 0.0043713100000000, 0.0029599500000000 ] - [ -0.0000099900000000, 0.0001963900000000, -0.0009525900000000 ] - [ 0.0001564400000000, -0.0000000900000000, -0.0004015000000000 ] - [ -0.0011226100000000, 0.0001517100000000, 0.0003848100000000 ] - [ -0.0004082100000000, -0.0001491300000000, 0.0000974500000000 ] - [ -0.0011074500000000, -0.0000582800000000, 0.0006518100000000 ] - [ -0.0007888600000000, 0.0003131000000000, 0.0006901600000000 ] - [ -0.0004328500000000, 0.0001113200000000, -0.0003918600000000 ] - [ 0.0000146400000000, -0.0001113500000000, -0.0002227000000000 ] - [ 0.0008166200000000, 0.0001992500000000, 0.0018039000000000 ] - [ 0.0005598100000000, -0.0001937200000000, 0.0005350500000000 ] - [ -0.0687987400000000, -0.0565014200000000, 0.0070663600000000 ] - [ -0.0008551400000000, 0.0003568500000000, 0.0001537600000000 ] - [ -0.0021448500000000, 0.0001481800000000, -0.0015171800000000 ] - [ -0.0016302200000000, -0.0004553700000000, -0.0008190600000000 ] - [ 0.0023275800000000, -0.0000956700000000, 0.0011045400000000 ] - [ -0.0000980600000000, 0.0002702900000000, 0.0000969800000000 ] - [ 0.0003264500000000, -0.0003884600000000, 0.0010366200000000 ] - [ 0.0001638200000000, -0.0004431400000000, 0.0008982000000000 ] - [ -0.0040527400000000, -0.0035187500000000, -0.0009381900000000 ] - [ -0.0019737400000000, 0.0019132900000000, -0.0011047100000000 ] - [ 0.0011854400000000, 0.0012326800000000, -0.0029133000000000 ] - [ 0.0009636000000000, -0.0005742500000000, -0.0014893800000000 ] - [ 0.0005600200000000, -0.0000418100000000, 0.0007458900000000 ] - [ 0.0002207500000000, 0.0002969100000000, 0.0001939300000000 ] - [ -0.0045061600000000, -0.0002645900000000, -0.0006721100000000 ] - [ -0.0004825100000000, 0.0003950600000000, -0.0001423600000000 ] - [ 0.0001819000000000, -0.0005983000000000, -0.0009267000000000 ] - [ -0.0000681500000000, -0.0000960400000000, -0.0003974900000000 ] - [ 0.0005653200000000, -0.0043622100000000, 0.0039226900000000 ] - [ -0.0003152700000000, 0.0028842800000000, 0.0007761000000000 ] - [ 0.0015378700000000, 0.0008782100000000, 0.0000933200000000 ] - [ 0.0001490500000000, -0.0006821100000000, -0.0001546300000000 ] - [ 0.0011349000000000, 0.0104282100000000, 0.0048768200000000 ] - [ -0.0009960200000000, -0.0014153300000000, 0.0001231800000000 ] - [ 0.0012676000000000, 0.0058775400000000, 0.0069640000000000 ] - [ -0.0005604900000000, -0.0001335800000000, -0.0003047000000000 ] - [ 0.0004063200000000, 0.0002772500000000, -0.0005482600000000 ] - [ 0.0003244500000000, 0.0002675700000000, -0.0006892600000000 ] - [ 0.0002291000000000, 0.0009962800000000, -0.0020769000000000 ] - [ -0.0004792300000000, -0.0001108400000000, -0.0007503300000000 ] - [ 0.0000896300000000, -0.0109063900000000, -0.0071138100000000 ] - [ -0.0012868400000000, 0.0021949700000000, 0.0001371500000000 ] - [ 0.0017335600000000, 0.0130933500000000, -0.0078496600000000 ] - [ -0.0008205400000000, -0.0014318100000000, 0.0004515000000000 ] - [ -0.0001098000000000, 0.0000759300000000, 0.0005509900000000 ] - [ -0.0000749900000000, -0.0000026900000000, 0.0002715400000000 ] - [ -0.0001042900000000, -0.0006715500000000, -0.0003313600000000 ] - [ 0.0006156100000000, 0.0012296300000000, -0.0008404300000000 ] - [ 0.0010186300000000, -0.0008896700000000, -0.0013898900000000 ] - [ 0.0003839600000000, 0.0007114900000000, -0.0006313700000000 ] - [ 0.0000532700000000, -0.0000075800000000, 0.0001522800000000 ] - [ 0.0000535000000000, 0.0000324300000000, 0.0001570800000000 ] - [ 0.0002508300000000, 0.0000416600000000, 0.0002759800000000 ] - [ 0.0001132800000000, 0.0001950000000000, 0.0001119800000000 ] - [ 0.0004602800000000, -0.0003024400000000, -0.0003695500000000 ] - [ 0.0005596700000000, 0.0001850400000000, -0.0004034800000000 ] - [ -0.0000319600000000, -0.0004289300000000, -0.0003305300000000 ] - [ -0.0001173900000000, -0.0001332000000000, 0.0001373000000000 ] - [ 0.0006490300000000, -0.0001004500000000, 0.0001007800000000 ] - [ 0.0002250000000000, 0.0001135400000000, 0.0000361800000000 ] - [ 0.0006787800000000, -0.0000871200000000, 0.0011172700000000 ] - [ 0.0002133000000000, 0.0001875900000000, 0.0002181400000000 ] - [ 0.0003672500000000, 0.0002138500000000, -0.0006465300000000 ] - [ 0.0003920400000000, 0.0005117800000000, -0.0008487800000000 ] - [ 0.0002663300000000, -0.0000285500000000, 0.0000121800000000 ] - [ 0.0002652000000000, -0.0000683100000000, -0.0001049100000000 ] - [ 0.0000535300000000, -0.0002668200000000, 0.0006217500000000 ] - [ -0.0001234600000000, 0.0004619100000000, 0.0004927900000000 ] - [ 0.0004865500000000, -0.0001815600000000, -0.0003230400000000 ] - [ 0.0003391500000000, 0.0001108300000000, -0.0000913300000000 ] - [ 0.0006767600000000, -0.0001694100000000, -0.0012055400000000 ] - [ 0.0002866100000000, -0.0002040200000000, -0.0006740300000000 ] - [ 0.0002086700000000, -0.0001774100000000, -0.0002765400000000 ] - [ -0.0000412100000000, -0.0001349200000000, -0.0002411900000000 ] - [ 0.0005108900000000, -0.0001198900000000, 0.0000712600000000 ] - [ 0.0002781100000000, -0.0001371600000000, -0.0000528500000000 ] - [ 0.0012177400000000, -0.0004845500000000, 0.0022468500000000 ] - [ 0.0002808800000000, 0.0001408800000000, 0.0003123300000000 ] - [ 0.0003572500000000, 0.0003099200000000, 0.0005203100000000 ] - [ -0.0001809200000000, 0.0002476200000000, 0.0001421800000000 ] - [ 0.0006624100000000, -0.0004367200000000, 0.0002806300000000 ] - [ 0.0003880000000000, -0.0001581800000000, 0.0002612700000000 ] - [ 0.0004063000000000, -0.0000098000000000, 0.0001340400000000 ] - [ -0.0000129000000000, 0.0000259100000000, 0.0000470700000000 ] - [ -0.0006287000000000, -0.0001779700000000, -0.0002579400000000 ] - [ -0.0002458700000000, 0.0000068300000000, -0.0000387100000000 ] - [ 0.0010251800000000, -0.0001060600000000, -0.0002634300000000 ] - [ 0.0001062100000000, 0.0001687200000000, 0.0000212200000000 ] - [ 0.0005689700000000, -0.0006375500000000, 0.0003444600000000 ] - [ 0.0004555700000000, 0.0004048200000000, 0.0000264400000000 ]- atom: 57 displacement: [ -0.0099999989202427, 0.0000000000000000, -0.0000046470576681 ] forces: - [ -0.0001868100000000, -0.0000857000000000, 0.0005038600000000 ] - [ -0.0001369000000000, 0.0000467200000000, 0.0001409100000000 ] - [ 0.0029114800000000, -0.0001178300000000, 0.0000913900000000 ] - [ 0.0002804100000000, 0.0001276400000000, -0.0000370600000000 ] - [ -0.0025042500000000, 0.0008931400000000, -0.0018409000000000 ] - [ -0.0002909200000000, 0.0006012500000000, -0.0000759600000000 ] - [ 0.0007256600000000, -0.0003350900000000, -0.0012642400000000 ] - [ -0.0000967500000000, 0.0001386800000000, -0.0001301600000000 ] - [ -0.0008750300000000, -0.0001971600000000, 0.0001709000000000 ] - [ -0.0002913200000000, 0.0000466400000000, -0.0000471800000000 ] - [ 0.0008494800000000, 0.0003127800000000, -0.0000392800000000 ] - [ 0.0004513900000000, -0.0002313400000000, -0.0000764800000000 ] - [ 0.0003884400000000, -0.0000734300000000, -0.0000796000000000 ] - [ 0.0002648000000000, 0.0000704400000000, -0.0000446600000000 ] - [ 0.0002477600000000, -0.0001927900000000, 0.0004405900000000 ] - [ 0.0003932100000000, 0.0002048300000000, 0.0004387500000000 ] - [ 0.0009238200000000, 0.0009955200000000, 0.0011461800000000 ] - [ 0.0003912200000000, -0.0006383500000000, 0.0008497000000000 ] - [ 0.0001476200000000, -0.0015134800000000, -0.0008177400000000 ] - [ 0.0007999500000000, 0.0016589400000000, -0.0013736000000000 ] - [ -0.0041646600000000, -0.0003153200000000, 0.0033532900000000 ] - [ -0.0015650000000000, 0.0008220900000000, 0.0015391700000000 ] - [ -0.0240245800000000, 0.0095140600000000, 0.0180380300000000 ] - [ -0.0023197300000000, 0.0005118600000000, 0.0001286700000000 ] - [ -0.0461495600000000, -0.0539551300000000, -0.0054835800000000 ] - [ -0.0026119700000000, 0.0005713600000000, 0.0000001000000000 ] - [ 0.0004749500000000, -0.0003905700000000, -0.0022350800000000 ] - [ 0.0005541400000000, 0.0002084600000000, -0.0015102000000000 ] - [ 0.0011023700000000, -0.0000286700000000, -0.0020014000000000 ] - [ 0.0004289800000000, 0.0004651000000000, -0.0006723200000000 ] - [ 0.0022760200000000, -0.0004248900000000, 0.0003381100000000 ] - [ -0.0000567800000000, 0.0004540600000000, 0.0001614100000000 ] - [ 0.0003511200000000, -0.0001373800000000, -0.0000327000000000 ] - [ 0.0003435600000000, 0.0001548700000000, 0.0001483800000000 ] - [ 0.0006382600000000, 0.0000257600000000, 0.0001769500000000 ] - [ 0.0003269000000000, 0.0002418200000000, 0.0000815500000000 ] - [ 0.0006512000000000, -0.0000842300000000, -0.0001217200000000 ] - [ 0.0001537200000000, 0.0000575300000000, -0.0001065700000000 ] - [ 0.0011206400000000, -0.0007192100000000, 0.0021760300000000 ] - [ 0.0004815200000000, 0.0004731000000000, 0.0004418200000000 ] - [ -0.0002665600000000, -0.0031016300000000, -0.0009066400000000 ] - [ 0.0001348300000000, 0.0057426400000000, -0.0035748100000000 ] - [ 0.0042343600000000, 0.0001425100000000, 0.0023470400000000 ] - [ -0.0008224000000000, -0.0001239400000000, 0.0002776800000000 ] - [ -0.0026270200000000, 0.0062304100000000, -0.0064573100000000 ] - [ -0.0002117700000000, -0.0044738300000000, -0.0030978300000000 ] - [ 0.0007749800000000, -0.0000279200000000, 0.0007988200000000 ] - [ 0.0006167400000000, 0.0001708000000000, 0.0002505700000000 ] - [ 0.0008511500000000, -0.0002269000000000, -0.0002511300000000 ] - [ 0.0001384000000000, 0.0000734500000000, 0.0000332000000000 ] - [ 0.0003324900000000, 0.0002331400000000, -0.0005069600000000 ] - [ 0.0000123900000000, -0.0001437800000000, -0.0005431200000000 ] - [ 0.0007063200000000, -0.0001889400000000, 0.0002636800000000 ] - [ 0.0002542600000000, 0.0000348700000000, 0.0000938700000000 ] - [ -0.0000416700000000, -0.0000276800000000, -0.0019522000000000 ] - [ 0.0002162600000000, 0.0003635600000000, -0.0006832500000000 ] - [ 0.0692050400000000, 0.0547622700000000, -0.0076772700000000 ] - [ 0.0005189200000000, -0.0004406100000000, 0.0000568800000000 ] - [ 0.0020994800000000, 0.0000489400000000, 0.0015295100000000 ] - [ 0.0015992000000000, 0.0006654700000000, 0.0008413800000000 ] - [ -0.0024357500000000, 0.0004333900000000, -0.0010971300000000 ] - [ -0.0000260000000000, 0.0000639200000000, -0.0001020100000000 ] - [ -0.0005085000000000, -0.0002694700000000, -0.0001530700000000 ] - [ -0.0003487800000000, -0.0002122900000000, -0.0000151800000000 ] - [ 0.0040692400000000, 0.0037543600000000, 0.0009072500000000 ] - [ 0.0020061900000000, -0.0017083500000000, 0.0010805400000000 ] - [ -0.0009994700000000, -0.0010485800000000, 0.0027897300000000 ] - [ -0.0007898200000000, 0.0007580500000000, 0.0013831200000000 ] - [ -0.0004313700000000, 0.0003779900000000, -0.0007405900000000 ] - [ -0.0000938500000000, 0.0000392300000000, -0.0001901200000000 ] - [ 0.0048312300000000, 0.0001719800000000, 0.0005146300000000 ] - [ 0.0008172700000000, -0.0004775400000000, -0.0000693500000000 ] - [ -0.0005528400000000, 0.0005533700000000, 0.0010004200000000 ] - [ -0.0002987400000000, 0.0000473000000000, 0.0004683400000000 ] - [ -0.0001774700000000, 0.0044154800000000, -0.0040047800000000 ] - [ 0.0006912900000000, -0.0028397800000000, -0.0008321500000000 ] - [ -0.0013538000000000, -0.0015307700000000, -0.0009766900000000 ] - [ 0.0000367700000000, 0.0000255400000000, -0.0007279000000000 ] - [ -0.0016020400000000, -0.0109839800000000, -0.0053357100000000 ] - [ 0.0005573400000000, 0.0009248100000000, -0.0005087600000000 ] - [ -0.0011806900000000, -0.0060439800000000, -0.0069452500000000 ] - [ 0.0006384400000000, -0.0000872700000000, 0.0002365700000000 ] - [ 0.0002244600000000, 0.0000146300000000, 0.0007633400000000 ] - [ 0.0003082800000000, 0.0000227400000000, 0.0009024000000000 ] - [ -0.0008650200000000, -0.0007107400000000, 0.0018697400000000 ] - [ -0.0001513800000000, 0.0004032100000000, 0.0005368200000000 ] - [ 0.0003631800000000, 0.0103594800000000, 0.0074617100000000 ] - [ 0.0017218300000000, -0.0026764200000000, 0.0002514700000000 ] - [ -0.0020435800000000, -0.0128974300000000, 0.0078112700000000 ] - [ 0.0004453900000000, 0.0014720200000000, -0.0003986700000000 ] - [ 0.0000410400000000, -0.0003030500000000, -0.0004704100000000 ] - [ -0.0000043500000000, -0.0002169000000000, -0.0002054300000000 ] - [ -0.0000715100000000, 0.0008535100000000, 0.0004436400000000 ] - [ -0.0007937000000000, -0.0010514500000000, 0.0009555100000000 ] - [ -0.0006501400000000, 0.0008443200000000, 0.0013230600000000 ] - [ -0.0000169100000000, -0.0007581500000000, 0.0005603600000000 ] - [ -0.0003894200000000, -0.0000827700000000, 0.0000509500000000 ] - [ -0.0003904100000000, -0.0001217600000000, 0.0000506700000000 ] - [ -0.0002872100000000, 0.0001624800000000, -0.0002554000000000 ] - [ -0.0001454500000000, 0.0000131900000000, -0.0000905700000000 ] - [ -0.0005880500000000, 0.0006394700000000, 0.0003658500000000 ] - [ -0.0006814200000000, 0.0001496100000000, 0.0004004100000000 ] - [ -0.0001536500000000, -0.0002283100000000, 0.0012153500000000 ] - [ -0.0000710700000000, -0.0005206200000000, 0.0007444200000000 ] - [ -0.0006201100000000, 0.0003112400000000, -0.0001228200000000 ] - [ -0.0001961800000000, 0.0000958800000000, -0.0000600900000000 ] - [ -0.0004969000000000, 0.0002668700000000, -0.0012406900000000 ] - [ -0.0000302600000000, -0.0000076200000000, -0.0003343900000000 ] - [ -0.0002434900000000, 0.0001215600000000, 0.0006496300000000 ] - [ -0.0002687600000000, -0.0001771700000000, 0.0008540800000000 ] - [ 0.0000695100000000, -0.0000603900000000, -0.0002179500000000 ] - [ 0.0000691800000000, -0.0000134600000000, -0.0001064700000000 ] - [ -0.0004203100000000, 0.0002160800000000, -0.0005517700000000 ] - [ -0.0002444000000000, -0.0005097000000000, -0.0004221300000000 ] - [ -0.0001072700000000, 0.0002165300000000, 0.0002636500000000 ] - [ 0.0000366600000000, -0.0000726800000000, 0.0000369700000000 ] - [ -0.0004957000000000, -0.0004909000000000, 0.0003272000000000 ] - [ -0.0000991700000000, -0.0004500200000000, -0.0002076700000000 ] - [ -0.0006396200000000, -0.0003064100000000, -0.0001101600000000 ] - [ -0.0003971900000000, -0.0003551000000000, -0.0001447200000000 ] - [ -0.0004293600000000, -0.0001014400000000, -0.0001308400000000 ] - [ -0.0001960500000000, -0.0000833100000000, -0.0000107100000000 ] - [ -0.0005849300000000, 0.0007777100000000, -0.0020309800000000 ] - [ 0.0003515400000000, 0.0001514100000000, -0.0001016700000000 ] - [ -0.0009874500000000, -0.0000179700000000, -0.0007290800000000 ] - [ -0.0004527900000000, 0.0000436100000000, -0.0003545600000000 ] - [ -0.0002325300000000, -0.0000469700000000, 0.0001059100000000 ] - [ 0.0000493800000000, -0.0003301700000000, 0.0001266500000000 ] - [ -0.0007827400000000, 0.0000467800000000, -0.0000819700000000 ] - [ -0.0003628400000000, 0.0000131600000000, 0.0000058400000000 ] - [ 0.0005497100000000, -0.0000427800000000, 0.0003290300000000 ] - [ 0.0001654200000000, -0.0002270500000000, 0.0001044700000000 ] - [ -0.0012049200000000, 0.0002855300000000, 0.0003820700000000 ] - [ -0.0002894500000000, 0.0000112700000000, 0.0000972800000000 ] - [ -0.0001997600000000, 0.0005888700000000, -0.0004138400000000 ] - [ -0.0000885100000000, -0.0004527300000000, -0.0000961200000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003378000000000, 0.0004052600000000, -0.0013918300000000 ] - [ -0.0001312400000000, -0.0005369700000000, 0.0003401600000000 ] - [ -0.0008245400000000, 0.0028913500000000, 0.0004058500000000 ] - [ 0.0001272200000000, -0.0014560900000000, 0.0000411100000000 ] - [ -0.0007131100000000, 0.0043955000000000, -0.0011554800000000 ] - [ -0.0004427500000000, -0.0022284000000000, -0.0010167100000000 ] - [ 0.0003488100000000, 0.0023043500000000, 0.0001714400000000 ] - [ -0.0000187000000000, -0.0012799100000000, 0.0000576100000000 ] - [ 0.0005863000000000, 0.0005841500000000, -0.0013667500000000 ] - [ -0.0000909900000000, -0.0005790600000000, 0.0003972100000000 ] - [ -0.0010234400000000, -0.0003194900000000, -0.0001294100000000 ] - [ 0.0011015100000000, -0.0001563300000000, 0.0003129700000000 ] - [ 0.0001645200000000, 0.0003508200000000, -0.0000292400000000 ] - [ 0.0000492400000000, -0.0003368800000000, -0.0003162400000000 ] - [ 0.0003633000000000, -0.0000829200000000, 0.0001105800000000 ] - [ -0.0012245300000000, -0.0002260300000000, -0.0003086900000000 ] - [ -0.0014298900000000, -0.0020408800000000, -0.0012794500000000 ] - [ 0.0003342800000000, 0.0013202200000000, -0.0000184800000000 ] - [ 0.0036054400000000, -0.0002508500000000, -0.0027603000000000 ] - [ -0.0023901700000000, -0.0010342600000000, 0.0028700400000000 ] - [ -0.0024733400000000, 0.0079686200000000, 0.0050546600000000 ] - [ 0.0006882000000000, -0.0054769700000000, -0.0024459700000000 ] - [ -0.0085081400000000, 0.0704895100000000, 0.0648200800000000 ] - [ -0.0007242400000000, -0.0080382500000000, 0.0023168900000000 ] - [ 0.0576778900000000, 0.1436875700000000, 0.0145734200000000 ] - [ 0.0011206200000000, -0.0073049400000000, 0.0017376600000000 ] - [ 0.0002206300000000, 0.0005757900000000, 0.0024790700000000 ] - [ 0.0010413700000000, 0.0000219600000000, -0.0032273900000000 ] - [ 0.0006935100000000, 0.0032374200000000, -0.0004756800000000 ] - [ 0.0001866900000000, -0.0027523600000000, 0.0000976200000000 ] - [ -0.0016387000000000, 0.0018809300000000, 0.0003872400000000 ] - [ -0.0001094800000000, -0.0015887000000000, -0.0000015400000000 ] - [ 0.0007679200000000, 0.0007546800000000, 0.0008773400000000 ] - [ -0.0000900300000000, -0.0007168400000000, -0.0004798200000000 ] - [ -0.0001112500000000, 0.0006918200000000, -0.0003583800000000 ] - [ -0.0000305500000000, -0.0003975900000000, 0.0000187000000000 ] - [ -0.0006984000000000, 0.0005075900000000, -0.0006053100000000 ] - [ -0.0000430500000000, -0.0005071600000000, -0.0001107000000000 ] - [ -0.0007808600000000, 0.0032750000000000, -0.0013635000000000 ] - [ -0.0000795000000000, -0.0017421300000000, -0.0000856000000000 ] - [ 0.0098663100000000, -0.0020664500000000, 0.0096813700000000 ] - [ -0.0037952200000000, -0.0102325700000000, 0.0053899700000000 ] - [ -0.0119732800000000, 0.0038048300000000, -0.0023925200000000 ] - [ 0.0008108800000000, -0.0011435300000000, 0.0006773600000000 ] - [ 0.0023509300000000, -0.0081722300000000, 0.0083299200000000 ] - [ 0.0008082900000000, -0.0112886500000000, -0.0053449400000000 ] - [ -0.0000475500000000, 0.0008564100000000, -0.0000633100000000 ] - [ -0.0005395500000000, -0.0008121100000000, -0.0006743100000000 ] - [ -0.0004534600000000, 0.0008148200000000, 0.0001386400000000 ] - [ -0.0000880700000000, -0.0008406000000000, 0.0000066000000000 ] - [ -0.0006414600000000, 0.0014043400000000, -0.0007604000000000 ] - [ -0.0002011100000000, -0.0012129400000000, 0.0005701200000000 ] - [ 0.0001829100000000, 0.0007000600000000, -0.0002505500000000 ] - [ -0.0000458100000000, -0.0007413500000000, -0.0001901800000000 ] - [ 0.0004634600000000, 0.0017785300000000, 0.0016562200000000 ] - [ 0.0005914200000000, -0.0013802100000000, -0.0014775500000000 ] - [ -0.0582078500000000, -0.2699224400000000, -0.1118427500000000 ] - [ 0.0002327300000000, 0.0047515400000000, 0.0007458800000000 ] - [ -0.0013262600000000, -0.0004875200000000, -0.0028351400000000 ] - [ 0.0005586400000000, 0.0031279900000000, 0.0024564100000000 ] - [ 0.0022089000000000, -0.0026677500000000, -0.0005038400000000 ] - [ -0.0004465000000000, 0.0013005400000000, 0.0000777000000000 ] - [ 0.0004880300000000, -0.0005626400000000, 0.0004979000000000 ] - [ 0.0002240800000000, -0.0001676800000000, 0.0009985700000000 ] - [ -0.0071946100000000, 0.0189830600000000, -0.0028873700000000 ] - [ -0.0006583100000000, 0.0057953500000000, -0.0016943900000000 ] - [ 0.0021293700000000, 0.0015897700000000, -0.0039676600000000 ] - [ -0.0036134200000000, 0.0020366200000000, 0.0038723700000000 ] - [ 0.0006417500000000, -0.0009299400000000, 0.0003862500000000 ] - [ 0.0005461700000000, 0.0011050500000000, -0.0000140800000000 ] - [ 0.0003758500000000, -0.0101036000000000, 0.0046853500000000 ] - [ -0.0002738300000000, 0.0036285400000000, -0.0010097800000000 ] - [ -0.0002947600000000, -0.0012071100000000, -0.0003844800000000 ] - [ -0.0004609500000000, 0.0014062900000000, 0.0009828400000000 ] - [ -0.0020578000000000, -0.0004911900000000, -0.0065014800000000 ] - [ 0.0002401000000000, 0.0054852300000000, 0.0014085700000000 ] - [ 0.0033213000000000, 0.0012977300000000, 0.0003223400000000 ] - [ -0.0005285300000000, 0.0000210800000000, -0.0009582700000000 ] - [ 0.0091305800000000, 0.0137986600000000, 0.0081750200000000 ] - [ -0.0010473200000000, 0.0036414400000000, -0.0037867300000000 ] - [ 0.0134189500000000, 0.0039698200000000, 0.0142397900000000 ] - [ -0.0010337300000000, 0.0013900900000000, -0.0010689800000000 ] - [ 0.0001906400000000, -0.0004095600000000, 0.0011681600000000 ] - [ 0.0001440200000000, 0.0007935400000000, -0.0008289400000000 ] - [ 0.0007191400000000, -0.0001548500000000, -0.0022014800000000 ] - [ -0.0011846300000000, 0.0011692500000000, 0.0014782800000000 ] - [ -0.0090590100000000, 0.0167748500000000, 0.0128568000000000 ] - [ -0.0001999400000000, 0.0036609600000000, -0.0007905100000000 ] - [ 0.0077117300000000, 0.0108582300000000, -0.0097691800000000 ] - [ -0.0005066900000000, 0.0041582000000000, -0.0009756200000000 ] - [ 0.0007134400000000, -0.0014068900000000, -0.0000710400000000 ] - [ 0.0007040400000000, 0.0008193300000000, 0.0010597700000000 ] - [ -0.0038326000000000, 0.0005032600000000, 0.0000546700000000 ] - [ 0.0027490600000000, 0.0012627000000000, -0.0021412400000000 ] - [ -0.0013305700000000, -0.0015139400000000, 0.0011826200000000 ] - [ 0.0005912900000000, 0.0015615800000000, -0.0009755300000000 ] - [ -0.0000867800000000, -0.0000024700000000, 0.0001494400000000 ] - [ -0.0001288900000000, -0.0000040100000000, 0.0002180500000000 ] - [ -0.0002551900000000, -0.0004810900000000, 0.0000615200000000 ] - [ 0.0002719000000000, 0.0005855100000000, 0.0002241100000000 ] - [ -0.0009835600000000, 0.0007283400000000, 0.0003821100000000 ] - [ 0.0007823900000000, -0.0002198100000000, -0.0002937800000000 ] - [ 0.0001764100000000, -0.0020049300000000, 0.0002531500000000 ] - [ -0.0006541100000000, 0.0012721200000000, 0.0006595100000000 ] - [ 0.0003490300000000, -0.0003317100000000, 0.0001190500000000 ] - [ -0.0000884600000000, 0.0004776200000000, -0.0000474900000000 ] - [ 0.0002686100000000, -0.0007343600000000, 0.0005892200000000 ] - [ 0.0002531800000000, 0.0006621600000000, -0.0000303800000000 ] - [ 0.0002709600000000, 0.0004965900000000, -0.0001385300000000 ] - [ -0.0004358000000000, -0.0001899500000000, 0.0000327900000000 ] - [ 0.0001894700000000, -0.0000029300000000, 0.0002982600000000 ] - [ 0.0001460900000000, -0.0000003000000000, -0.0003003800000000 ] - [ -0.0003099900000000, -0.0013970000000000, -0.0002653900000000 ] - [ 0.0000032300000000, 0.0013014600000000, 0.0006102100000000 ] - [ 0.0000681200000000, -0.0005509300000000, -0.0003875400000000 ] - [ 0.0002702800000000, 0.0005761400000000, 0.0002796300000000 ] - [ -0.0002462600000000, -0.0017949600000000, -0.0004070500000000 ] - [ 0.0003281800000000, 0.0010018500000000, -0.0004721000000000 ] - [ -0.0001033700000000, -0.0007990100000000, -0.0000068600000000 ] - [ -0.0002626300000000, 0.0003006500000000, -0.0003114000000000 ] - [ 0.0003318200000000, -0.0004870100000000, 0.0004560500000000 ] - [ -0.0002079200000000, 0.0002633500000000, -0.0002300300000000 ] - [ 0.0025573300000000, -0.0018105000000000, 0.0034291300000000 ] - [ 0.0001227400000000, 0.0008448900000000, -0.0004833700000000 ] - [ 0.0000929700000000, -0.0003169200000000, -0.0001087500000000 ] - [ -0.0001483600000000, 0.0007599900000000, 0.0004576100000000 ] - [ 0.0002545900000000, -0.0007888700000000, 0.0001570400000000 ] - [ 0.0003017600000000, 0.0002915500000000, 0.0003383400000000 ] - [ 0.0000217400000000, -0.0004939800000000, 0.0003373500000000 ] - [ -0.0002765600000000, 0.0004615000000000, -0.0000757000000000 ] - [ -0.0002004600000000, -0.0007508900000000, -0.0008935500000000 ] - [ -0.0000236400000000, 0.0004821100000000, 0.0006928100000000 ] - [ 0.0003433100000000, -0.0006739200000000, -0.0003115400000000 ] - [ -0.0002005300000000, 0.0006495100000000, 0.0000958600000000 ] - [ 0.0003585800000000, -0.0012753900000000, 0.0002764300000000 ] - [ 0.0006159000000000, 0.0013321700000000, -0.0002342300000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000762300000000, -0.0004174500000000, 0.0014705900000000 ] - [ -0.0001253400000000, 0.0005366000000000, -0.0002524200000000 ] - [ 0.0011103300000000, -0.0029192100000000, -0.0004695600000000 ] - [ 0.0001683900000000, 0.0014252600000000, -0.0001082400000000 ] - [ 0.0010210600000000, -0.0044579400000000, 0.0011851600000000 ] - [ 0.0006932400000000, 0.0022170600000000, 0.0009225100000000 ] - [ -0.0006311800000000, -0.0023304000000000, -0.0001026900000000 ] - [ -0.0002750700000000, 0.0012508300000000, 0.0000116700000000 ] - [ -0.0008404300000000, -0.0005847600000000, 0.0014479800000000 ] - [ -0.0001647900000000, 0.0005754600000000, -0.0003112800000000 ] - [ 0.0013142000000000, 0.0002917900000000, 0.0000609200000000 ] - [ -0.0008082600000000, 0.0001274800000000, -0.0003812900000000 ] - [ 0.0000937000000000, -0.0003516100000000, -0.0000622000000000 ] - [ 0.0002077300000000, 0.0003326000000000, 0.0002281500000000 ] - [ -0.0006562400000000, 0.0000566600000000, -0.0000408300000000 ] - [ 0.0009311500000000, 0.0001971600000000, 0.0003772200000000 ] - [ 0.0014220600000000, 0.0021344000000000, 0.0012743700000000 ] - [ -0.0003384400000000, -0.0012295900000000, 0.0000180800000000 ] - [ -0.0040985500000000, 0.0004377500000000, 0.0028945100000000 ] - [ 0.0018726600000000, 0.0012170500000000, -0.0027216200000000 ] - [ 0.0028781100000000, -0.0078377500000000, -0.0046848200000000 ] - [ -0.0002378800000000, 0.0054751500000000, 0.0028106700000000 ] - [ 0.0088997400000000, -0.0716747800000000, -0.0680596600000000 ] - [ 0.0007140300000000, 0.0082976700000000, -0.0022895500000000 ] - [ -0.0539550000000000, -0.1359125900000000, -0.0135477000000000 ] - [ -0.0015820900000000, 0.0073189600000000, -0.0021017000000000 ] - [ 0.0003098700000000, -0.0003879800000000, -0.0026335700000000 ] - [ -0.0005124600000000, 0.0001593100000000, 0.0030698500000000 ] - [ -0.0006841800000000, -0.0031384100000000, 0.0004705700000000 ] - [ -0.0001816000000000, 0.0028407400000000, -0.0001005100000000 ] - [ 0.0011118300000000, -0.0016982900000000, -0.0002394000000000 ] - [ -0.0004182100000000, 0.0017713600000000, 0.0001537400000000 ] - [ -0.0003223500000000, -0.0007422400000000, -0.0005075800000000 ] - [ 0.0005328400000000, 0.0007287300000000, 0.0008449200000000 ] - [ 0.0001114600000000, -0.0004064500000000, 0.0003554300000000 ] - [ 0.0000320600000000, 0.0006773600000000, -0.0000224400000000 ] - [ 0.0002516200000000, -0.0004982100000000, 0.0002305100000000 ] - [ -0.0004034200000000, 0.0005165100000000, -0.0002600900000000 ] - [ 0.0012930700000000, -0.0030887600000000, 0.0012093100000000 ] - [ 0.0006012000000000, 0.0019242100000000, -0.0000681300000000 ] - [ -0.0100609900000000, 0.0020094900000000, -0.0094505700000000 ] - [ 0.0035356100000000, 0.0101512100000000, -0.0052237400000000 ] - [ 0.0111595600000000, -0.0036206900000000, 0.0025423100000000 ] - [ -0.0015892400000000, 0.0013121500000000, -0.0005294200000000 ] - [ -0.0020763700000000, 0.0080861900000000, -0.0084413600000000 ] - [ -0.0005300100000000, 0.0111856100000000, 0.0052067700000000 ] - [ 0.0007998900000000, -0.0006858500000000, -0.0000909800000000 ] - [ 0.0013114600000000, 0.0009798600000000, 0.0005247800000000 ] - [ 0.0001853300000000, -0.0008914800000000, -0.0000114300000000 ] - [ -0.0001801400000000, 0.0007626600000000, 0.0001226100000000 ] - [ -0.0001289700000000, -0.0012346000000000, 0.0009049300000000 ] - [ -0.0005684900000000, 0.0013810700000000, -0.0004238900000000 ] - [ 0.0000822700000000, -0.0007745200000000, 0.0001171700000000 ] - [ 0.0003128400000000, 0.0006648000000000, 0.0000582200000000 ] - [ 0.0003116800000000, -0.0016066400000000, -0.0018040100000000 ] - [ 0.0001841700000000, 0.0015506400000000, 0.0013189500000000 ] - [ 0.0530066200000000, 0.2632845400000000, 0.1137784100000000 ] - [ -0.0005660600000000, -0.0048415000000000, -0.0005426500000000 ] - [ 0.0012759000000000, 0.0006681900000000, 0.0028474400000000 ] - [ -0.0005954500000000, -0.0029217000000000, -0.0024308500000000 ] - [ -0.0023211500000000, 0.0029916200000000, 0.0004929200000000 ] - [ 0.0003294000000000, -0.0009649800000000, -0.0000805700000000 ] - [ -0.0006646000000000, -0.0001006600000000, 0.0003826400000000 ] - [ -0.0004073700000000, -0.0004875800000000, -0.0001197100000000 ] - [ 0.0070779000000000, -0.0183530800000000, 0.0028398700000000 ] - [ 0.0006772300000000, -0.0056264000000000, 0.0016585100000000 ] - [ -0.0019430300000000, -0.0014091200000000, 0.0038405300000000 ] - [ 0.0037957000000000, -0.0018586400000000, -0.0039826800000000 ] - [ -0.0005031000000000, 0.0012664200000000, -0.0003837800000000 ] - [ -0.0004195800000000, -0.0007673200000000, 0.0000156700000000 ] - [ -0.0000466000000000, 0.0099940500000000, -0.0047462300000000 ] - [ 0.0006051500000000, -0.0037062800000000, 0.0007978000000000 ] - [ -0.0000763600000000, 0.0011615000000000, 0.0004568500000000 ] - [ 0.0000897500000000, -0.0014531200000000, -0.0009126300000000 ] - [ 0.0024279800000000, 0.0004939200000000, 0.0063881000000000 ] - [ 0.0001428600000000, -0.0054357500000000, -0.0014746400000000 ] - [ -0.0031274600000000, -0.0019518100000000, -0.0012000700000000 ] - [ 0.0007153200000000, -0.0006758100000000, 0.0000802600000000 ] - [ -0.0097173200000000, -0.0143866200000000, -0.0087499900000000 ] - [ 0.0006059700000000, -0.0041176000000000, 0.0033695900000000 ] - [ -0.0131477800000000, -0.0041236400000000, -0.0140433100000000 ] - [ 0.0011205500000000, -0.0016100800000000, 0.0010155700000000 ] - [ 0.0004372600000000, 0.0007062100000000, -0.0009604800000000 ] - [ 0.0004917200000000, -0.0005070800000000, 0.0010390800000000 ] - [ -0.0013582700000000, 0.0004441500000000, 0.0019926100000000 ] - [ 0.0005465500000000, -0.0008710500000000, -0.0016719000000000 ] - [ 0.0096872500000000, -0.0173370800000000, -0.0125793900000000 ] - [ 0.0006405000000000, -0.0041545700000000, 0.0011641500000000 ] - [ -0.0079099700000000, -0.0107351500000000, 0.0097186100000000 ] - [ 0.0001349400000000, -0.0041080900000000, 0.0010194800000000 ] - [ -0.0007707600000000, 0.0011715700000000, 0.0001547300000000 ] - [ -0.0007809900000000, -0.0010372700000000, -0.0009918500000000 ] - [ 0.0036268000000000, -0.0003310900000000, 0.0000451100000000 ] - [ -0.0029331200000000, -0.0010805900000000, 0.0022625700000000 ] - [ 0.0016891700000000, 0.0014522400000000, -0.0012435100000000 ] - [ -0.0002273200000000, -0.0015998600000000, 0.0009060500000000 ] - [ -0.0002450600000000, -0.0000789800000000, 0.0000622800000000 ] - [ -0.0002028500000000, -0.0000717800000000, -0.0000032600000000 ] - [ 0.0002283500000000, 0.0006882600000000, -0.0000310200000000 ] - [ -0.0002987200000000, -0.0003749700000000, -0.0001954900000000 ] - [ 0.0008500700000000, -0.0003910300000000, -0.0003813900000000 ] - [ -0.0008996800000000, 0.0005567800000000, 0.0002911600000000 ] - [ -0.0003630400000000, 0.0013465800000000, 0.0006263300000000 ] - [ 0.0004673700000000, -0.0019264800000000, 0.0002213600000000 ] - [ -0.0003096500000000, 0.0005300600000000, -0.0001432200000000 ] - [ 0.0001253100000000, -0.0002774400000000, 0.0000203700000000 ] - [ -0.0000832700000000, 0.0009104600000000, -0.0006942400000000 ] - [ -0.0000712900000000, -0.0004839200000000, -0.0000830600000000 ] - [ -0.0001575800000000, -0.0001646800000000, 0.0001445300000000 ] - [ 0.0005612800000000, 0.0005253400000000, -0.0000314300000000 ] - [ 0.0001465100000000, -0.0000885600000000, -0.0005051200000000 ] - [ 0.0001891100000000, -0.0000878000000000, 0.0000901800000000 ] - [ -0.0000540300000000, 0.0013439900000000, 0.0003322800000000 ] - [ -0.0003680400000000, -0.0013499700000000, -0.0005415800000000 ] - [ 0.0003094600000000, 0.0005945300000000, 0.0003382100000000 ] - [ 0.0001071200000000, -0.0005347800000000, -0.0003292700000000 ] - [ 0.0004291700000000, 0.0011354900000000, -0.0004722200000000 ] - [ -0.0001448300000000, -0.0016579700000000, -0.0004070000000000 ] - [ -0.0003323800000000, 0.0003075900000000, -0.0003780700000000 ] - [ -0.0001759800000000, -0.0007911000000000, -0.0000756100000000 ] - [ -0.0002579400000000, 0.0002678400000000, -0.0005245900000000 ] - [ 0.0002832500000000, -0.0004839300000000, 0.0001613300000000 ] - [ -0.0019137500000000, 0.0021008400000000, -0.0032095600000000 ] - [ 0.0005126200000000, -0.0005528900000000, 0.0006907700000000 ] - [ -0.0007270400000000, 0.0006040900000000, -0.0000947200000000 ] - [ -0.0004873600000000, -0.0004703300000000, -0.0006647200000000 ] - [ 0.0001821400000000, 0.0002980800000000, 0.0002305300000000 ] - [ 0.0001369600000000, -0.0007817500000000, 0.0000504000000000 ] - [ -0.0004064900000000, 0.0005313300000000, -0.0002742200000000 ] - [ -0.0001096000000000, -0.0004227700000000, 0.0001367900000000 ] - [ 0.0001178100000000, 0.0005300600000000, 0.0009523500000000 ] - [ -0.0000585000000000, -0.0007023200000000, -0.0006325700000000 ] - [ -0.0005265500000000, 0.0008515200000000, 0.0004344700000000 ] - [ 0.0000171400000000, -0.0004712700000000, 0.0000242800000000 ] - [ 0.0000095600000000, 0.0012327700000000, -0.0003445400000000 ] - [ -0.0002475200000000, -0.0013753800000000, 0.0001657300000000 ]- atom: 57 displacement: [ -0.0066066504307377, 0.0000000000000000, 0.0075068082489187 ] forces: - [ -0.0007289300000000, -0.0007013100000000, -0.0009828200000000 ] - [ -0.0002961100000000, 0.0001870800000000, -0.0001102400000000 ] - [ 0.0018792700000000, 0.0003432400000000, 0.0014188900000000 ] - [ 0.0001185900000000, -0.0001769700000000, 0.0000842400000000 ] - [ -0.0003421100000000, -0.0003712900000000, 0.0021355100000000 ] - [ -0.0001618200000000, -0.0006255800000000, -0.0000260600000000 ] - [ 0.0016965200000000, 0.0000407800000000, -0.0007640900000000 ] - [ 0.0001192100000000, -0.0000842400000000, -0.0000708500000000 ] - [ 0.0000861100000000, -0.0004913400000000, -0.0013240600000000 ] - [ -0.0001036600000000, 0.0001732500000000, -0.0000731800000000 ] - [ 0.0006451500000000, 0.0001703700000000, 0.0002260700000000 ] - [ 0.0006509700000000, -0.0001466400000000, 0.0001710900000000 ] - [ 0.0004167900000000, 0.0000787300000000, -0.0005377300000000 ] - [ 0.0002201400000000, -0.0000280100000000, -0.0002461000000000 ] - [ -0.0001917900000000, -0.0001227500000000, 0.0001659400000000 ] - [ -0.0003003100000000, 0.0001001500000000, 0.0001154400000000 ] - [ -0.0008466300000000, -0.0002880300000000, -0.0004858500000000 ] - [ -0.0009352800000000, 0.0003777700000000, 0.0001494400000000 ] - [ 0.0012542400000000, -0.0020775900000000, -0.0002506500000000 ] - [ 0.0011914600000000, 0.0022076300000000, 0.0007955500000000 ] - [ -0.0060492700000000, 0.0097257800000000, -0.0000711900000000 ] - [ -0.0011549400000000, -0.0011986000000000, 0.0000900100000000 ] - [ -0.0290904700000000, 0.0586893900000000, 0.1024120400000000 ] - [ -0.0020291400000000, -0.0007187900000000, 0.0014451600000000 ] - [ -0.0287756500000000, -0.0284877000000000, 0.0143185100000000 ] - [ -0.0019342700000000, -0.0002965900000000, 0.0017994700000000 ] - [ 0.0013832700000000, -0.0000364100000000, -0.0021092600000000 ] - [ 0.0017704800000000, -0.0000114400000000, -0.0023327000000000 ] - [ 0.0025313500000000, 0.0003858000000000, -0.0023091700000000 ] - [ 0.0007646600000000, -0.0000945000000000, -0.0006541300000000 ] - [ -0.0008748600000000, 0.0000961200000000, 0.0005836300000000 ] - [ -0.0003286100000000, -0.0000807800000000, 0.0002400900000000 ] - [ 0.0003551100000000, 0.0002359400000000, -0.0010301000000000 ] - [ 0.0003980700000000, -0.0002209100000000, -0.0002141300000000 ] - [ 0.0004258600000000, 0.0000578900000000, -0.0003802400000000 ] - [ 0.0002464300000000, 0.0003311400000000, -0.0003090200000000 ] - [ 0.0001800300000000, 0.0000277900000000, -0.0006774300000000 ] - [ -0.0000324900000000, -0.0000774100000000, -0.0003616200000000 ] - [ -0.0011353800000000, 0.0004722900000000, -0.0000092300000000 ] - [ -0.0000756900000000, -0.0000832100000000, 0.0000029100000000 ] - [ 0.0024976600000000, 0.0001654900000000, 0.0049460500000000 ] - [ -0.0007288900000000, -0.0007031800000000, 0.0024665300000000 ] - [ -0.0061258900000000, 0.0014909700000000, -0.0003294600000000 ] - [ -0.0005350500000000, 0.0002466900000000, 0.0002202000000000 ] - [ -0.0010211400000000, 0.0046732500000000, -0.0037182200000000 ] - [ 0.0006176900000000, -0.0072567500000000, -0.0042433800000000 ] - [ -0.0018563800000000, -0.0000940300000000, -0.0005710400000000 ] - [ -0.0002019100000000, -0.0000347800000000, -0.0002091400000000 ] - [ 0.0003391100000000, -0.0001443700000000, -0.0003126800000000 ] - [ 0.0000594400000000, -0.0000799900000000, -0.0000704900000000 ] - [ 0.0003924400000000, 0.0004757400000000, -0.0011073700000000 ] - [ -0.0000144500000000, -0.0003130300000000, -0.0007007800000000 ] - [ 0.0002751000000000, -0.0000172500000000, -0.0003077600000000 ] - [ 0.0000676300000000, -0.0000478200000000, -0.0000866500000000 ] - [ 0.0011203200000000, 0.0004862300000000, -0.0020260700000000 ] - [ 0.0007035300000000, 0.0000346500000000, -0.0008340700000000 ] - [ 0.0513676100000000, -0.0460716800000000, -0.1379283400000000 ] - [ 0.0003210600000000, 0.0001743000000000, -0.0004278600000000 ] - [ 0.0003892500000000, -0.0016926800000000, 0.0004728400000000 ] - [ 0.0009911100000000, 0.0017486600000000, 0.0011511300000000 ] - [ 0.0012882600000000, -0.0006090600000000, -0.0009127500000000 ] - [ 0.0000685100000000, 0.0001446000000000, -0.0001717600000000 ] - [ 0.0007894300000000, -0.0007413300000000, 0.0005725700000000 ] - [ 0.0003111500000000, -0.0004132200000000, 0.0004983000000000 ] - [ -0.0001374900000000, 0.0079646200000000, -0.0038760600000000 ] - [ 0.0007248900000000, -0.0006829700000000, -0.0011420300000000 ] - [ -0.0012006000000000, -0.0008201900000000, 0.0020316800000000 ] - [ -0.0019546000000000, 0.0011505300000000, 0.0022266700000000 ] - [ 0.0013076800000000, 0.0003524700000000, -0.0000459500000000 ] - [ 0.0003767600000000, 0.0003364600000000, -0.0000483500000000 ] - [ 0.0027788700000000, -0.0034141200000000, 0.0149048000000000 ] - [ 0.0005681800000000, 0.0003450800000000, -0.0002393400000000 ] - [ -0.0011809300000000, 0.0003499900000000, 0.0012711100000000 ] - [ -0.0005769700000000, 0.0004077900000000, 0.0007503000000000 ] - [ 0.0021816100000000, -0.0018808000000000, -0.0035045600000000 ] - [ 0.0005965800000000, 0.0003562100000000, -0.0006010600000000 ] - [ 0.0019366400000000, 0.0007122300000000, -0.0006221900000000 ] - [ 0.0004507500000000, -0.0005321100000000, -0.0006616400000000 ] - [ 0.0027303800000000, 0.0002552200000000, -0.0045279900000000 ] - [ -0.0001264600000000, 0.0007900700000000, -0.0019392200000000 ] - [ 0.0110877000000000, 0.0055535600000000, 0.0053705800000000 ] - [ 0.0002544900000000, -0.0003364100000000, -0.0005304200000000 ] - [ -0.0003030600000000, 0.0001558600000000, 0.0012655900000000 ] - [ 0.0000830500000000, 0.0000512500000000, 0.0009410000000000 ] - [ -0.0019640400000000, -0.0015795100000000, 0.0012998200000000 ] - [ -0.0005535000000000, 0.0006220700000000, 0.0004802400000000 ] - [ -0.0029560400000000, 0.0138641200000000, 0.0069308900000000 ] - [ 0.0013821500000000, -0.0021528700000000, -0.0005302800000000 ] - [ -0.0029404900000000, -0.0110958900000000, 0.0022861900000000 ] - [ 0.0002715700000000, 0.0027557100000000, -0.0011450300000000 ] - [ 0.0022476600000000, -0.0013941900000000, 0.0017497600000000 ] - [ 0.0005828900000000, 0.0001368900000000, 0.0004083600000000 ] - [ -0.0004763700000000, 0.0005547200000000, -0.0007269400000000 ] - [ 0.0004959600000000, -0.0003284600000000, -0.0008714100000000 ] - [ -0.0017751000000000, 0.0009463300000000, 0.0013411200000000 ] - [ -0.0001193100000000, -0.0005574500000000, 0.0001402200000000 ] - [ -0.0002722100000000, 0.0000212800000000, 0.0002751300000000 ] - [ -0.0002757400000000, -0.0000566600000000, 0.0002715100000000 ] - [ -0.0000224600000000, 0.0000473100000000, 0.0003703200000000 ] - [ 0.0000146100000000, 0.0001524300000000, 0.0001042100000000 ] - [ -0.0008440400000000, 0.0008182800000000, 0.0003891300000000 ] - [ -0.0007915800000000, 0.0000618300000000, 0.0003000600000000 ] - [ -0.0008067400000000, -0.0002934000000000, 0.0012740500000000 ] - [ -0.0004015600000000, -0.0001136400000000, 0.0007460500000000 ] - [ -0.0002132900000000, 0.0001645400000000, 0.0001306900000000 ] - [ -0.0000872400000000, 0.0001433000000000, 0.0000244400000000 ] - [ 0.0000956100000000, 0.0000312000000000, -0.0003511300000000 ] - [ 0.0001654900000000, 0.0001394700000000, -0.0001165400000000 ] - [ -0.0006656400000000, 0.0001466300000000, 0.0007028300000000 ] - [ -0.0010893500000000, -0.0006167000000000, 0.0011644100000000 ] - [ 0.0001050500000000, 0.0000861300000000, 0.0001474300000000 ] - [ 0.0001904500000000, -0.0003261800000000, 0.0002227900000000 ] - [ 0.0004839100000000, -0.0002489800000000, 0.0000435400000000 ] - [ 0.0000435700000000, 0.0001179700000000, 0.0000966300000000 ] - [ -0.0001911600000000, 0.0001508100000000, 0.0004424100000000 ] - [ -0.0000175300000000, 0.0000970400000000, 0.0001795300000000 ] - [ -0.0008155800000000, -0.0008301200000000, 0.0002464100000000 ] - [ -0.0001161400000000, -0.0002517400000000, -0.0001897000000000 ] - [ -0.0005243600000000, -0.0003215500000000, 0.0000195000000000 ] - [ -0.0004063100000000, -0.0003091000000000, -0.0000943500000000 ] - [ -0.0003715600000000, -0.0001411000000000, 0.0003800600000000 ] - [ -0.0001694700000000, -0.0000452900000000, 0.0001669400000000 ] - [ 0.0015467700000000, -0.0003373000000000, 0.0011490900000000 ] - [ 0.0004501100000000, 0.0001166300000000, 0.0000397300000000 ] - [ 0.0002304600000000, 0.0002649900000000, 0.0003201100000000 ] - [ -0.0001750500000000, 0.0002389700000000, 0.0000348900000000 ] - [ -0.0000150800000000, -0.0001054900000000, 0.0003098600000000 ] - [ 0.0001902000000000, -0.0002712900000000, 0.0002507700000000 ] - [ -0.0005081000000000, -0.0001674900000000, 0.0002789300000000 ] - [ -0.0002741100000000, 0.0000453100000000, 0.0001099000000000 ] - [ -0.0003280600000000, -0.0003874800000000, 0.0010457300000000 ] - [ -0.0001807900000000, 0.0000219100000000, 0.0002912100000000 ] - [ -0.0005177900000000, 0.0001075400000000, -0.0001560300000000 ] - [ -0.0002713300000000, 0.0001336900000000, 0.0000153600000000 ] - [ 0.0005462800000000, -0.0000870600000000, -0.0001060300000000 ] - [ 0.0004350300000000, 0.0002146900000000, -0.0001096600000000 ]- atom: 57 displacement: [ 0.0066066504307377, 0.0000000000000000, -0.0075068082489187 ] forces: - [ 0.0004769400000000, 0.0007013000000000, 0.0010724000000000 ] - [ 0.0000405300000000, -0.0001911300000000, 0.0001929800000000 ] - [ -0.0016277700000000, -0.0003720900000000, -0.0014926000000000 ] - [ 0.0001716500000000, 0.0001529400000000, -0.0001520800000000 ] - [ 0.0006302400000000, 0.0003295900000000, -0.0022015500000000 ] - [ 0.0004199000000000, 0.0006299600000000, -0.0000542300000000 ] - [ -0.0019999400000000, -0.0000732800000000, 0.0008362300000000 ] - [ -0.0004106200000000, 0.0000604400000000, 0.0001397100000000 ] - [ -0.0003493200000000, 0.0004843500000000, 0.0014093600000000 ] - [ -0.0001543600000000, -0.0001762700000000, 0.0001566000000000 ] - [ -0.0003514900000000, -0.0001964800000000, -0.0002957900000000 ] - [ -0.0003629500000000, 0.0001206600000000, -0.0002414100000000 ] - [ -0.0001593900000000, -0.0000843800000000, 0.0004564700000000 ] - [ 0.0000372400000000, 0.0000251300000000, 0.0001634300000000 ] - [ -0.0001005900000000, 0.0000957700000000, -0.0000961300000000 ] - [ 0.0000104600000000, -0.0001259900000000, -0.0000450500000000 ] - [ 0.0008550000000000, 0.0003869200000000, 0.0004910200000000 ] - [ 0.0009349600000000, -0.0002884300000000, -0.0001483400000000 ] - [ -0.0017873400000000, 0.0022604600000000, 0.0004170400000000 ] - [ -0.0017142700000000, -0.0020128400000000, -0.0006426400000000 ] - [ 0.0065375000000000, -0.0098039600000000, 0.0004044200000000 ] - [ 0.0016090500000000, 0.0012168900000000, 0.0002699200000000 ] - [ 0.0287649300000000, -0.0615621200000000, -0.1056172400000000 ] - [ 0.0020367600000000, 0.0010208600000000, -0.0014551200000000 ] - [ 0.0278027500000000, 0.0280069000000000, -0.0144229400000000 ] - [ 0.0014952800000000, 0.0003176600000000, -0.0021695800000000 ] - [ -0.0008614600000000, 0.0002162700000000, 0.0019479300000000 ] - [ -0.0012507700000000, 0.0002009600000000, 0.0021830200000000 ] - [ -0.0025296200000000, -0.0002963100000000, 0.0023059100000000 ] - [ -0.0007658100000000, 0.0001932000000000, 0.0006545200000000 ] - [ 0.0003651600000000, 0.0000837500000000, -0.0004312200000000 ] - [ -0.0001887400000000, 0.0002730900000000, -0.0000881500000000 ] - [ 0.0000835500000000, -0.0002344900000000, 0.0013915500000000 ] - [ 0.0000446300000000, 0.0002317400000000, 0.0005788900000000 ] - [ -0.0004253300000000, 0.0002239300000000, 0.0003828000000000 ] - [ -0.0002474700000000, -0.0000457300000000, 0.0003083500000000 ] - [ -0.0006217400000000, -0.0000231000000000, 0.0003185400000000 ] - [ -0.0004116900000000, 0.0000857500000000, 0.0000024600000000 ] - [ 0.0016633500000000, -0.0002953400000000, -0.0001417500000000 ] - [ 0.0005994100000000, 0.0002738200000000, -0.0001535000000000 ] - [ -0.0028075300000000, -0.0002347200000000, -0.0048446100000000 ] - [ 0.0004606300000000, 0.0006332100000000, -0.0023280000000000 ] - [ 0.0054114800000000, -0.0013290400000000, 0.0004964600000000 ] - [ -0.0002409800000000, -0.0000739600000000, -0.0000740900000000 ] - [ 0.0012845500000000, -0.0047308500000000, 0.0035712200000000 ] - [ -0.0003502900000000, 0.0072065200000000, 0.0041445800000000 ] - [ 0.0026455400000000, 0.0002631300000000, 0.0004260500000000 ] - [ 0.0009825500000000, 0.0002091600000000, 0.0000593900000000 ] - [ -0.0006067300000000, 0.0000667000000000, 0.0004430500000000 ] - [ -0.0003308600000000, 0.0000045600000000, 0.0002007300000000 ] - [ -0.0011677800000000, -0.0003054700000000, 0.0012590400000000 ] - [ -0.0007601000000000, 0.0004844700000000, 0.0008478400000000 ] - [ -0.0000048800000000, -0.0000613700000000, 0.0001817400000000 ] - [ 0.0001998800000000, -0.0000266000000000, -0.0000426700000000 ] - [ -0.0003480700000000, -0.0003146300000000, 0.0018751700000000 ] - [ 0.0000711600000000, 0.0001392300000000, 0.0006887500000000 ] - [ -0.0509963100000000, 0.0498732600000000, 0.1415057500000000 ] - [ -0.0006584000000000, -0.0002681500000000, 0.0006376200000000 ] - [ -0.0004197500000000, 0.0019050500000000, -0.0004348100000000 ] - [ -0.0010269100000000, -0.0015546400000000, -0.0011315900000000 ] - [ -0.0014203500000000, 0.0009502000000000, 0.0009093200000000 ] - [ -0.0001997300000000, 0.0001901800000000, 0.0001718700000000 ] - [ -0.0009802800000000, 0.0000865000000000, 0.0003049400000000 ] - [ -0.0004945600000000, -0.0002480400000000, 0.0003824700000000 ] - [ 0.0001889600000000, -0.0077752700000000, 0.0038336400000000 ] - [ -0.0007004200000000, 0.0008803800000000, 0.0011173800000000 ] - [ 0.0013780000000000, 0.0009961000000000, -0.0021498000000000 ] - [ 0.0021418900000000, -0.0009760100000000, -0.0023570000000000 ] - [ -0.0011841000000000, -0.0000133200000000, 0.0000447400000000 ] - [ -0.0002653400000000, -0.0000042200000000, 0.0000540300000000 ] - [ -0.0024837600000000, 0.0033894200000000, -0.0154280100000000 ] - [ -0.0002362200000000, -0.0004377100000000, 0.0000344500000000 ] - [ 0.0008142700000000, -0.0003869900000000, -0.0011975500000000 ] - [ 0.0002090300000000, -0.0004576300000000, -0.0006811700000000 ] - [ -0.0017934300000000, 0.0019184400000000, 0.0034851000000000 ] - [ -0.0002196200000000, -0.0003139100000000, 0.0005466900000000 ] - [ -0.0017659200000000, -0.0013781600000000, -0.0002578400000000 ] - [ -0.0002679000000000, -0.0001284200000000, -0.0002182900000000 ] - [ -0.0032299000000000, -0.0007864400000000, 0.0041054000000000 ] - [ -0.0003085400000000, -0.0012929400000000, 0.0015633500000000 ] - [ -0.0109862800000000, -0.0057872100000000, -0.0054743400000000 ] - [ -0.0001744600000000, 0.0001137900000000, 0.0004635000000000 ] - [ 0.0009390700000000, 0.0001331500000000, -0.0010605400000000 ] - [ 0.0005539500000000, 0.0002345400000000, -0.0007262400000000 ] - [ 0.0013276500000000, 0.0018648700000000, -0.0015055900000000 ] - [ -0.0000706500000000, -0.0003266200000000, -0.0006882300000000 ] - [ 0.0035158000000000, -0.0145689100000000, -0.0066310100000000 ] - [ -0.0009475800000000, 0.0016583100000000, 0.0009206500000000 ] - [ 0.0026235200000000, 0.0112310300000000, -0.0022139500000000 ] - [ -0.0006517400000000, -0.0027398100000000, 0.0012050900000000 ] - [ -0.0023405100000000, 0.0011879300000000, -0.0016882100000000 ] - [ -0.0006659000000000, -0.0003597900000000, -0.0003396400000000 ] - [ 0.0003129500000000, -0.0003750000000000, 0.0008393200000000 ] - [ -0.0006760400000000, 0.0005058700000000, 0.0009956400000000 ] - [ 0.0021415000000000, -0.0009910100000000, -0.0014068700000000 ] - [ 0.0004873200000000, 0.0005077200000000, -0.0002096400000000 ] - [ -0.0000619300000000, -0.0001031100000000, -0.0000667700000000 ] - [ -0.0000590800000000, -0.0000318600000000, -0.0000679600000000 ] - [ -0.0000061700000000, 0.0001601500000000, -0.0003432800000000 ] - [ -0.0000383700000000, 0.0000577500000000, -0.0000754800000000 ] - [ 0.0007136500000000, -0.0004799400000000, -0.0003915300000000 ] - [ 0.0006694100000000, 0.0002734400000000, -0.0003031700000000 ] - [ 0.0006228700000000, -0.0003635700000000, -0.0003952600000000 ] - [ 0.0002184600000000, -0.0005477500000000, 0.0001302000000000 ] - [ 0.0002404500000000, 0.0000434400000000, -0.0001601000000000 ] - [ 0.0001183100000000, 0.0000599900000000, -0.0000529000000000 ] - [ 0.0000826800000000, 0.0001492700000000, 0.0002289800000000 ] - [ 0.0000186200000000, 0.0000388800000000, -0.0000172900000000 ] - [ 0.0007835800000000, 0.0001898100000000, -0.0006989200000000 ] - [ 0.0012138900000000, 0.0009522100000000, -0.0011626700000000 ] - [ 0.0002315200000000, -0.0001770700000000, -0.0003559900000000 ] - [ 0.0001442200000000, 0.0002412300000000, -0.0004296400000000 ] - [ -0.0008567300000000, 0.0002026100000000, 0.0000259800000000 ] - [ -0.0004109300000000, -0.0001623700000000, -0.0000268400000000 ] - [ 0.0005732600000000, -0.0001082300000000, -0.0004967000000000 ] - [ 0.0003936300000000, -0.0000555000000000, -0.0002292600000000 ] - [ 0.0010003500000000, 0.0001726500000000, -0.0011256200000000 ] - [ 0.0003029600000000, -0.0004080800000000, -0.0006888100000000 ] - [ 0.0000885600000000, -0.0001684600000000, -0.0004049800000000 ] - [ -0.0000253500000000, -0.0001827700000000, -0.0002897300000000 ] - [ 0.0004480800000000, -0.0000789700000000, -0.0004541800000000 ] - [ 0.0002471800000000, -0.0001750500000000, -0.0002413100000000 ] - [ -0.0009272100000000, 0.0006405000000000, -0.0009587800000000 ] - [ 0.0001893000000000, 0.0001669400000000, 0.0001749100000000 ] - [ -0.0008734700000000, 0.0000194800000000, -0.0005370300000000 ] - [ -0.0004563100000000, 0.0000566900000000, -0.0002381300000000 ] - [ 0.0004506900000000, -0.0003845800000000, 0.0000753100000000 ] - [ 0.0002429300000000, -0.0002203900000000, 0.0001323800000000 ] - [ 0.0001277400000000, 0.0002101100000000, -0.0002264800000000 ] - [ -0.0001061900000000, -0.0000065700000000, -0.0000544200000000 ] - [ 0.0002553800000000, 0.0001688100000000, -0.0009733900000000 ] - [ 0.0001008200000000, -0.0002435700000000, -0.0002286600000000 ] - [ 0.0003341400000000, 0.0000737300000000, 0.0002920300000000 ] - [ 0.0000927900000000, 0.0000434800000000, 0.0001000600000000 ] - [ -0.0001798100000000, 0.0000529600000000, 0.0000317300000000 ] - [ -0.0000704100000000, -0.0002735900000000, 0.0000442100000000 ]- atom: 59 displacement: [ 0.0099999989202427, 0.0000000000000000, 0.0000046470576681 ] forces: - [ 0.0001744500000000, -0.0012739200000000, -0.0004321600000000 ] - [ 0.0016940100000000, 0.0013067800000000, -0.0002875100000000 ] - [ -0.0006579500000000, -0.0010739200000000, 0.0013008700000000 ] - [ -0.0001768900000000, 0.0004437700000000, 0.0005170700000000 ] - [ -0.0000431400000000, 0.0000507400000000, -0.0000095000000000 ] - [ 0.0002317000000000, -0.0000567400000000, -0.0005426700000000 ] - [ -0.0003504400000000, 0.0023741000000000, -0.0001988200000000 ] - [ -0.0004185900000000, -0.0022190800000000, -0.0000349700000000 ] - [ -0.0007155500000000, 0.0002679600000000, 0.0001392400000000 ] - [ -0.0003833300000000, -0.0001792200000000, 0.0000838200000000 ] - [ -0.0015521400000000, 0.0001625500000000, -0.0023279900000000 ] - [ 0.0001367000000000, -0.0001526400000000, -0.0003074600000000 ] - [ 0.0016483900000000, 0.0001440500000000, -0.0008599500000000 ] - [ 0.0004161700000000, -0.0001469200000000, -0.0000831700000000 ] - [ -0.0016283100000000, 0.0005093600000000, 0.0000809900000000 ] - [ -0.0003478200000000, -0.0002138400000000, 0.0001546500000000 ] - [ -0.0021967600000000, 0.0016593300000000, -0.0026419900000000 ] - [ -0.0003233000000000, -0.0007994900000000, -0.0005355500000000 ] - [ -0.0012331500000000, -0.0001163500000000, 0.0050672500000000 ] - [ -0.0003194000000000, -0.0002553500000000, 0.0010831100000000 ] - [ 0.1017666500000000, 0.0825374300000000, 0.0069188500000000 ] - [ 0.0008285300000000, -0.0005634100000000, 0.0003612200000000 ] - [ 0.0012963200000000, -0.0023286700000000, 0.0051044400000000 ] - [ 0.0137337200000000, 0.0014942400000000, 0.0036917900000000 ] - [ 0.0105556200000000, 0.0016121100000000, -0.0037259300000000 ] - [ -0.0000117300000000, -0.0009044800000000, -0.0004161800000000 ] - [ -0.0086190700000000, -0.0009012500000000, 0.0182115800000000 ] - [ 0.0006801100000000, -0.0003995200000000, -0.0001851700000000 ] - [ -0.0021530100000000, 0.0027411900000000, 0.0031942800000000 ] - [ -0.0003801700000000, -0.0015548300000000, 0.0010078800000000 ] - [ -0.0019675400000000, -0.0013475800000000, -0.0027197500000000 ] - [ -0.0006902800000000, 0.0003195600000000, -0.0015267100000000 ] - [ -0.0004525700000000, -0.0000808500000000, -0.0000603100000000 ] - [ -0.0015477500000000, -0.0001428800000000, -0.0000485300000000 ] - [ -0.0013049500000000, 0.0005778900000000, -0.0005157400000000 ] - [ -0.0004576500000000, -0.0002616900000000, -0.0001936500000000 ] - [ -0.0003449300000000, -0.0003000100000000, -0.0002245800000000 ] - [ -0.0004060300000000, 0.0001748600000000, -0.0000324200000000 ] - [ -0.0027611700000000, -0.0004966200000000, -0.0003992900000000 ] - [ -0.0004723900000000, 0.0005567100000000, -0.0000893700000000 ] - [ -0.0003471300000000, 0.0074534300000000, 0.0113413200000000 ] - [ -0.0002477700000000, -0.0010899400000000, 0.0009647700000000 ] - [ -0.0017707300000000, 0.0005687400000000, -0.0014230900000000 ] - [ -0.0005570800000000, -0.0003868300000000, -0.0002218500000000 ] - [ 0.0734214100000000, 0.0038367500000000, 0.0347056200000000 ] - [ 0.0009859000000000, -0.0009173000000000, -0.0002423400000000 ] - [ -0.0108867400000000, 0.0012532300000000, -0.0031421600000000 ] - [ 0.0006943900000000, 0.0001646000000000, -0.0005560800000000 ] - [ -0.0002805800000000, 0.0005224200000000, -0.0007133100000000 ] - [ -0.0004656200000000, -0.0008161200000000, -0.0005402700000000 ] - [ 0.0004401600000000, 0.0005435600000000, 0.0001210100000000 ] - [ 0.0005705900000000, 0.0004460600000000, 0.0049382500000000 ] - [ -0.0011807400000000, -0.0000633100000000, 0.0003666000000000 ] - [ -0.0006559700000000, -0.0001091700000000, -0.0000471800000000 ] - [ -0.0002411100000000, 0.0008652600000000, 0.0004428400000000 ] - [ -0.0014273700000000, -0.0022592300000000, 0.0019264400000000 ] - [ -0.0022813500000000, -0.0013384200000000, -0.0012299400000000 ] - [ -0.0017759600000000, 0.0005464000000000, 0.0000250800000000 ] - [ -0.2549335400000000, -0.1206533900000000, -0.0982522200000000 ] - [ -0.0004886200000000, 0.0005420000000000, -0.0000964800000000 ] - [ 0.0010790800000000, -0.0000490200000000, 0.0008030400000000 ] - [ 0.0001190700000000, 0.0003912700000000, 0.0004911200000000 ] - [ 0.0028132000000000, -0.0022346800000000, 0.0017478600000000 ] - [ -0.0000718300000000, -0.0000527600000000, 0.0006217500000000 ] - [ -0.0043607400000000, 0.0000959300000000, -0.0033336900000000 ] - [ -0.0002836100000000, 0.0005646000000000, -0.0004277700000000 ] - [ 0.0549722600000000, 0.0107561600000000, 0.0111064600000000 ] - [ -0.0004372700000000, 0.0002365600000000, 0.0002009500000000 ] - [ 0.0035280200000000, 0.0018759900000000, 0.0002177800000000 ] - [ 0.0003482800000000, -0.0001568700000000, 0.0002094500000000 ] - [ -0.0038585300000000, 0.0071116600000000, -0.0039101600000000 ] - [ -0.0018124400000000, 0.0005999000000000, -0.0009042500000000 ] - [ 0.0021423300000000, -0.0042677800000000, -0.0051969000000000 ] - [ -0.0003512500000000, 0.0006849700000000, -0.0000121300000000 ] - [ 0.0123964400000000, 0.0042137300000000, -0.0105995900000000 ] - [ -0.0000284500000000, 0.0003594900000000, -0.0000412200000000 ] - [ 0.0011099900000000, -0.0003820900000000, 0.0010261800000000 ] - [ 0.0003354500000000, 0.0001093900000000, -0.0002298600000000 ] - [ -0.0001125900000000, 0.0011646300000000, -0.0012060800000000 ] - [ 0.0012170000000000, -0.0071861300000000, -0.0064845200000000 ] - [ -0.0002549800000000, -0.0005619700000000, 0.0017695900000000 ] - [ 0.0001929600000000, 0.0000329300000000, -0.0000214600000000 ] - [ -0.0001504600000000, 0.0001192500000000, 0.0000161000000000 ] - [ 0.0008053700000000, 0.0026892300000000, -0.0073860500000000 ] - [ -0.0002129000000000, 0.0000043700000000, -0.0006366000000000 ] - [ -0.0000427200000000, 0.0001629800000000, -0.0023960100000000 ] - [ -0.0008516900000000, 0.0006974900000000, -0.0002187000000000 ] - [ -0.0037439400000000, 0.0146416900000000, 0.0176657100000000 ] - [ -0.0024853600000000, -0.0117927500000000, 0.0235543900000000 ] - [ -0.0005370200000000, 0.0006778100000000, 0.0000676400000000 ] - [ 0.0152210300000000, 0.0080102700000000, 0.0113541200000000 ] - [ -0.0003401100000000, -0.0000508400000000, -0.0001735500000000 ] - [ 0.0019661700000000, -0.0013937300000000, -0.0044561000000000 ] - [ 0.0001674800000000, 0.0003994800000000, -0.0006164000000000 ] - [ 0.0010051500000000, 0.0003619500000000, -0.0020109000000000 ] - [ 0.0003478000000000, 0.0005572600000000, -0.0006084200000000 ] - [ 0.0000992600000000, -0.0002864600000000, 0.0003243200000000 ] - [ -0.0000443600000000, 0.0002274400000000, 0.0002403300000000 ] - [ 0.0007312000000000, 0.0001935900000000, 0.0001686900000000 ] - [ 0.0007348800000000, 0.0003596300000000, 0.0001686500000000 ] - [ 0.0006761400000000, -0.0003596100000000, -0.0020319300000000 ] - [ -0.0001542100000000, 0.0001234200000000, -0.0001880200000000 ] - [ 0.0006831500000000, -0.0015263700000000, -0.0001098300000000 ] - [ 0.0002564700000000, 0.0006382300000000, -0.0002729900000000 ] - [ 0.0002589200000000, 0.0000651400000000, 0.0005497700000000 ] - [ 0.0002655500000000, 0.0001909700000000, 0.0003079600000000 ] - [ 0.0015495000000000, 0.0004466000000000, -0.0004722000000000 ] - [ 0.0006979100000000, -0.0000172000000000, -0.0002386400000000 ] - [ 0.0030649300000000, 0.0016182700000000, -0.0031182000000000 ] - [ 0.0001019500000000, 0.0001111900000000, -0.0000747000000000 ] - [ 0.0007966000000000, -0.0003746600000000, 0.0001496300000000 ] - [ 0.0003726500000000, 0.0000651300000000, -0.0000535100000000 ] - [ 0.0003477100000000, 0.0007137300000000, 0.0003662600000000 ] - [ 0.0004701800000000, -0.0006616000000000, 0.0002375300000000 ] - [ 0.0004511900000000, -0.0000674900000000, 0.0001583600000000 ] - [ 0.0012146200000000, 0.0006228300000000, 0.0002822000000000 ] - [ -0.0002470200000000, -0.0013309100000000, -0.0013918700000000 ] - [ 0.0004042700000000, 0.0005818900000000, -0.0018846700000000 ] - [ 0.0005362600000000, -0.0007834400000000, 0.0002325700000000 ] - [ 0.0001011800000000, 0.0002223600000000, -0.0001279800000000 ] - [ -0.0005015300000000, 0.0000187400000000, 0.0000798800000000 ] - [ -0.0012189500000000, -0.0001799700000000, -0.0006229100000000 ] - [ 0.0014294900000000, -0.0002166600000000, 0.0011266300000000 ] - [ 0.0005741700000000, 0.0001198800000000, 0.0003401000000000 ] - [ 0.0023266900000000, 0.0011023000000000, 0.0044467400000000 ] - [ -0.0002737100000000, 0.0002340600000000, 0.0004969800000000 ] - [ 0.0009416300000000, -0.0005555100000000, 0.0000911400000000 ] - [ 0.0004772000000000, -0.0002099900000000, 0.0001587000000000 ] - [ 0.0001269600000000, 0.0002067100000000, -0.0002114500000000 ] - [ 0.0001843000000000, -0.0000076400000000, -0.0002419100000000 ] - [ 0.0004609100000000, -0.0002506300000000, 0.0001581600000000 ] - [ 0.0010151000000000, 0.0003063100000000, 0.0000792300000000 ] - [ 0.0002304800000000, -0.0001086500000000, 0.0013481200000000 ] - [ 0.0001797900000000, 0.0004367600000000, 0.0009572000000000 ] - [ 0.0005058000000000, 0.0004205000000000, 0.0004792300000000 ] - [ 0.0005229500000000, -0.0007513600000000, 0.0012259900000000 ]- atom: 59 displacement: [ -0.0099999989202427, 0.0000000000000000, -0.0000046470576681 ] forces: - [ -0.0004354900000000, 0.0012763000000000, 0.0005126900000000 ] - [ -0.0019861100000000, -0.0012936900000000, 0.0003378700000000 ] - [ 0.0009509400000000, 0.0010564500000000, -0.0013756200000000 ] - [ 0.0004675000000000, -0.0004734800000000, -0.0005858900000000 ] - [ 0.0003005400000000, -0.0000553600000000, -0.0000720600000000 ] - [ 0.0000230900000000, 0.0000536700000000, 0.0004629600000000 ] - [ 0.0000675900000000, -0.0024034300000000, 0.0002619600000000 ] - [ 0.0001338400000000, 0.0021913300000000, 0.0001003400000000 ] - [ 0.0004578900000000, -0.0002714500000000, -0.0000527900000000 ] - [ 0.0001260300000000, 0.0001752600000000, 0.0000021000000000 ] - [ 0.0018504800000000, -0.0001879700000000, 0.0022569700000000 ] - [ 0.0001567600000000, 0.0001257100000000, 0.0002396200000000 ] - [ -0.0013987600000000, -0.0001508300000000, 0.0007704600000000 ] - [ -0.0001600200000000, 0.0001431700000000, -0.0000027400000000 ] - [ 0.0013453200000000, -0.0005403100000000, -0.0000112700000000 ] - [ 0.0000548400000000, 0.0001880200000000, -0.0000864000000000 ] - [ 0.0022125800000000, -0.0015770900000000, 0.0026569800000000 ] - [ 0.0003225200000000, 0.0008974800000000, 0.0005392200000000 ] - [ 0.0007071200000000, 0.0003025100000000, -0.0049228100000000 ] - [ -0.0002106000000000, 0.0004423600000000, -0.0009231700000000 ] - [ -0.1047024500000000, -0.0871427700000000, -0.0068383200000000 ] - [ -0.0003954800000000, 0.0005863000000000, -0.0000017200000000 ] - [ -0.0013072400000000, 0.0025966000000000, -0.0050682200000000 ] - [ -0.0138243400000000, -0.0011306300000000, -0.0036254100000000 ] - [ -0.0110892200000000, -0.0016189300000000, 0.0034265100000000 ] - [ -0.0004337000000000, 0.0009226300000000, 0.0000541800000000 ] - [ 0.0091503700000000, 0.0010905800000000, -0.0183607000000000 ] - [ -0.0001509600000000, 0.0005843500000000, 0.0000219100000000 ] - [ 0.0021564900000000, -0.0026513200000000, -0.0032032600000000 ] - [ 0.0003801300000000, 0.0016435000000000, -0.0010089200000000 ] - [ 0.0014532400000000, 0.0015386300000000, 0.0028877500000000 ] - [ 0.0001683100000000, -0.0001365100000000, 0.0016873900000000 ] - [ 0.0009023800000000, 0.0000900200000000, 0.0004273200000000 ] - [ 0.0019930600000000, 0.0001495100000000, 0.0004138900000000 ] - [ 0.0013074800000000, -0.0002941100000000, 0.0005172200000000 ] - [ 0.0004581500000000, 0.0005477800000000, 0.0001959800000000 ] - [ -0.0001012500000000, 0.0003103600000000, -0.0001402700000000 ] - [ -0.0000401500000000, -0.0001682200000000, -0.0003340500000000 ] - [ 0.0032988400000000, 0.0006880900000000, 0.0002475900000000 ] - [ 0.0009984100000000, -0.0003777700000000, -0.0000659300000000 ] - [ 0.0000596000000000, -0.0076260300000000, -0.0112885000000000 ] - [ -0.0000245200000000, 0.0010079800000000, -0.0008316500000000 ] - [ 0.0010062400000000, -0.0003987700000000, 0.0015868200000000 ] - [ -0.0002131500000000, 0.0005572800000000, 0.0003711000000000 ] - [ -0.0697557900000000, -0.0031231500000000, -0.0305980600000000 ] - [ -0.0007132600000000, 0.0008376600000000, 0.0001072300000000 ] - [ 0.0117158600000000, -0.0010875100000000, 0.0030045400000000 ] - [ 0.0000755300000000, 0.0000069900000000, 0.0004043900000000 ] - [ 0.0000173000000000, -0.0005969400000000, 0.0008442800000000 ] - [ 0.0001988500000000, 0.0007389900000000, 0.0006704600000000 ] - [ -0.0012164500000000, -0.0003696800000000, 0.0000240500000000 ] - [ -0.0013436600000000, -0.0002730300000000, -0.0047961300000000 ] - [ 0.0014573000000000, -0.0000126300000000, -0.0004973900000000 ] - [ 0.0009239800000000, 0.0000302500000000, -0.0000811500000000 ] - [ 0.0010154000000000, -0.0006937200000000, -0.0005905400000000 ] - [ 0.0022018700000000, 0.0024307600000000, -0.0020776600000000 ] - [ 0.0019653800000000, 0.0012638800000000, 0.0014285200000000 ] - [ 0.0014504300000000, -0.0006279100000000, 0.0001713300000000 ] - [ 0.2546447000000000, 0.1246911000000000, 0.0940536600000000 ] - [ 0.0004668300000000, -0.0003251400000000, 0.0001264100000000 ] - [ -0.0012004600000000, 0.0003878800000000, -0.0008134300000000 ] - [ -0.0002486000000000, -0.0000524100000000, -0.0004960000000000 ] - [ -0.0030216500000000, 0.0015897700000000, -0.0008829900000000 ] - [ -0.0001150900000000, -0.0006074400000000, 0.0002545700000000 ] - [ 0.0044340700000000, 0.0001062300000000, 0.0033296500000000 ] - [ 0.0003204000000000, -0.0003610700000000, 0.0003991000000000 ] - [ -0.0536317400000000, -0.0103251400000000, -0.0108710200000000 ] - [ 0.0006083100000000, -0.0000549900000000, -0.0003185000000000 ] - [ -0.0034088700000000, -0.0015432600000000, -0.0002205400000000 ] - [ -0.0002344600000000, 0.0004972100000000, -0.0002072100000000 ] - [ 0.0042580100000000, -0.0071726200000000, 0.0036765000000000 ] - [ 0.0021656400000000, -0.0007263100000000, 0.0007094600000000 ] - [ -0.0025066200000000, 0.0042160700000000, 0.0052592200000000 ] - [ -0.0000151800000000, -0.0007308400000000, 0.0000837400000000 ] - [ -0.0123349300000000, -0.0042946500000000, 0.0108304000000000 ] - [ 0.0004037400000000, -0.0003182600000000, -0.0000044700000000 ] - [ -0.0009258900000000, -0.0002751700000000, -0.0019135500000000 ] - [ -0.0001470100000000, -0.0007693300000000, -0.0006498000000000 ] - [ -0.0003079500000000, -0.0016468700000000, 0.0008181400000000 ] - [ -0.0016679600000000, 0.0067828200000000, 0.0061630000000000 ] - [ 0.0003408500000000, 0.0003433300000000, -0.0018599600000000 ] - [ -0.0001076400000000, -0.0002537300000000, -0.0000593600000000 ] - [ 0.0007875000000000, 0.0001699100000000, 0.0001971800000000 ] - [ -0.0001778700000000, -0.0023948500000000, 0.0075746900000000 ] - [ -0.0004257200000000, 0.0002826300000000, 0.0004287200000000 ] - [ -0.0005941500000000, 0.0001255800000000, 0.0021883000000000 ] - [ 0.0012805600000000, -0.0011848600000000, 0.0005972100000000 ] - [ 0.0039929700000000, -0.0151971200000000, -0.0172966500000000 ] - [ 0.0019362600000000, 0.0118790800000000, -0.0235805700000000 ] - [ 0.0001528600000000, -0.0006376400000000, -0.0000123600000000 ] - [ -0.0154527400000000, -0.0084441400000000, -0.0115863500000000 ] - [ 0.0002542200000000, -0.0001713300000000, 0.0002368100000000 ] - [ -0.0021513600000000, 0.0015905000000000, 0.0045997500000000 ] - [ -0.0003360600000000, -0.0002198400000000, 0.0007340900000000 ] - [ -0.0006396700000000, -0.0004070000000000, 0.0019439700000000 ] - [ 0.0000174000000000, -0.0006013000000000, 0.0005376200000000 ] - [ -0.0004377100000000, 0.0001909100000000, -0.0001257400000000 ] - [ -0.0002972900000000, -0.0003298400000000, -0.0000405000000000 ] - [ -0.0007726900000000, 0.0000042000000000, -0.0001456400000000 ] - [ -0.0007714000000000, -0.0001568900000000, -0.0001432800000000 ] - [ -0.0008000400000000, 0.0006985900000000, 0.0020344000000000 ] - [ 0.0000348100000000, 0.0002143300000000, 0.0001873300000000 ] - [ -0.0008719400000000, 0.0008666200000000, 0.0009912100000000 ] - [ -0.0004476600000000, -0.0012949000000000, 0.0011517700000000 ] - [ -0.0002419800000000, 0.0001538400000000, -0.0005778900000000 ] - [ -0.0002434600000000, 0.0000239300000000, -0.0003340200000000 ] - [ -0.0013829900000000, -0.0002700600000000, 0.0003645800000000 ] - [ -0.0005202900000000, 0.0001985600000000, 0.0001058500000000 ] - [ -0.0029425400000000, -0.0012830400000000, 0.0031166500000000 ] - [ 0.0000174000000000, 0.0002260500000000, 0.0000786600000000 ] - [ -0.0004661600000000, 0.0002922100000000, -0.0003507700000000 ] - [ -0.0000429600000000, -0.0001444500000000, -0.0001485000000000 ] - [ -0.0007144000000000, -0.0007738700000000, -0.0003038000000000 ] - [ -0.0008340800000000, 0.0006273700000000, -0.0001685100000000 ] - [ -0.0000679100000000, 0.0001063600000000, -0.0002200000000000 ] - [ -0.0008326200000000, -0.0005813200000000, -0.0003373400000000 ] - [ 0.0004341000000000, 0.0006700800000000, 0.0005161200000000 ] - [ -0.0002154600000000, -0.0012384800000000, 0.0010071200000000 ] - [ -0.0009651400000000, 0.0002943100000000, -0.0006144000000000 ] - [ -0.0005318100000000, -0.0007133200000000, -0.0002524100000000 ] - [ 0.0005938700000000, -0.0002408900000000, -0.0001328100000000 ] - [ 0.0013097500000000, -0.0000415000000000, 0.0005646500000000 ] - [ -0.0008016900000000, 0.0005149200000000, -0.0009326400000000 ] - [ 0.0000696100000000, 0.0001625700000000, -0.0001315100000000 ] - [ -0.0029858600000000, -0.0008215300000000, -0.0046856800000000 ] - [ -0.0003605300000000, 0.0000602100000000, -0.0007008400000000 ] - [ -0.0005174300000000, 0.0000668900000000, 0.0002911900000000 ] - [ -0.0000495400000000, -0.0002796200000000, 0.0002240200000000 ] - [ -0.0004966800000000, -0.0001651800000000, 0.0002548700000000 ] - [ -0.0005581600000000, 0.0000499700000000, 0.0002901900000000 ] - [ -0.0005478200000000, 0.0000301000000000, -0.0000788600000000 ] - [ -0.0011012900000000, -0.0005269100000000, -0.0000049200000000 ] - [ -0.0004139500000000, 0.0002897700000000, -0.0012215400000000 ] - [ -0.0003585400000000, -0.0002575800000000, -0.0008436500000000 ] - [ -0.0001461100000000, -0.0004614600000000, -0.0005516300000000 ] - [ -0.0001631400000000, 0.0007011000000000, -0.0012941900000000 ]- atom: 59 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004202700000000, -0.0013132200000000, -0.0009829400000000 ] - [ 0.0008400900000000, 0.0013852700000000, 0.0011572200000000 ] - [ -0.0005250500000000, -0.0002628800000000, 0.0006179800000000 ] - [ 0.0006268800000000, -0.0003446500000000, -0.0002256600000000 ] - [ 0.0000905200000000, -0.0004164700000000, 0.0002672400000000 ] - [ 0.0002496600000000, 0.0004145200000000, -0.0010228400000000 ] - [ 0.0015984900000000, -0.0002284000000000, -0.0000062100000000 ] - [ -0.0013544500000000, -0.0013211200000000, 0.0003746000000000 ] - [ -0.0003689300000000, 0.0002612700000000, 0.0002040200000000 ] - [ -0.0001506700000000, -0.0002297300000000, -0.0000302500000000 ] - [ -0.0002697400000000, 0.0007623800000000, -0.0006673900000000 ] - [ 0.0001981600000000, -0.0004203500000000, -0.0000622400000000 ] - [ 0.0006055200000000, 0.0005077900000000, -0.0007902800000000 ] - [ 0.0001185400000000, -0.0004317500000000, 0.0001391900000000 ] - [ -0.0004152400000000, 0.0006074700000000, 0.0001499700000000 ] - [ -0.0002326600000000, -0.0003749600000000, 0.0000402000000000 ] - [ -0.0001421100000000, 0.0019209400000000, -0.0006995900000000 ] - [ -0.0001581600000000, -0.0013003700000000, -0.0000823100000000 ] - [ -0.0007311200000000, 0.0010455300000000, 0.0007375000000000 ] - [ -0.0001753200000000, -0.0007741700000000, 0.0004862600000000 ] - [ 0.0846050100000000, 0.1048775400000000, 0.0011827800000000 ] - [ 0.0014657300000000, -0.0052989400000000, 0.0007312400000000 ] - [ -0.0003464800000000, -0.0065990000000000, 0.0099043400000000 ] - [ 0.0083571800000000, -0.0122025100000000, -0.0083076800000000 ] - [ -0.0035906400000000, 0.0033648000000000, 0.0031085300000000 ] - [ -0.0006286600000000, -0.0036018500000000, -0.0007489800000000 ] - [ -0.0039070300000000, 0.0050065700000000, 0.0045239700000000 ] - [ 0.0005184200000000, -0.0013397700000000, -0.0002170800000000 ] - [ 0.0002545500000000, 0.0002762100000000, -0.0001125500000000 ] - [ -0.0004959400000000, -0.0011798700000000, 0.0002671600000000 ] - [ -0.0002974700000000, -0.0008238800000000, -0.0006702600000000 ] - [ -0.0006576200000000, 0.0000202100000000, -0.0003633500000000 ] - [ 0.0002278200000000, -0.0003632800000000, 0.0001510800000000 ] - [ -0.0003457700000000, 0.0002948400000000, 0.0000937700000000 ] - [ -0.0002645100000000, 0.0008929900000000, -0.0000582300000000 ] - [ -0.0001143800000000, -0.0005761100000000, -0.0000283800000000 ] - [ -0.0003350800000000, -0.0004820100000000, -0.0004455100000000 ] - [ 0.0000361400000000, 0.0004550100000000, 0.0005375000000000 ] - [ -0.0011990600000000, -0.0003369600000000, 0.0000654400000000 ] - [ 0.0007500500000000, 0.0003312200000000, -0.0000294700000000 ] - [ 0.0015757000000000, 0.0107561600000000, 0.0011839700000000 ] - [ -0.0001838300000000, -0.0034514100000000, 0.0009255300000000 ] - [ 0.0001791400000000, 0.0008111300000000, 0.0003640500000000 ] - [ -0.0006949600000000, -0.0007073400000000, -0.0001147100000000 ] - [ 0.0049921400000000, 0.0446271500000000, 0.0023542800000000 ] - [ 0.0004223900000000, -0.0031415000000000, -0.0008370300000000 ] - [ -0.0059243300000000, 0.0011971500000000, -0.0015092000000000 ] - [ 0.0011628000000000, -0.0007230400000000, -0.0000436700000000 ] - [ 0.0002731700000000, 0.0002161100000000, -0.0004481000000000 ] - [ -0.0004804100000000, -0.0003131200000000, 0.0002738200000000 ] - [ -0.0001104100000000, -0.0001506200000000, -0.0002364300000000 ] - [ -0.0001434200000000, 0.0003291100000000, 0.0029924900000000 ] - [ -0.0004607400000000, 0.0000844200000000, 0.0002494500000000 ] - [ 0.0002091000000000, -0.0002514000000000, -0.0001398000000000 ] - [ 0.0003430900000000, -0.0001297600000000, 0.0000150600000000 ] - [ -0.0002088600000000, -0.0002347600000000, 0.0002306200000000 ] - [ -0.0001088000000000, -0.0005961900000000, -0.0022312200000000 ] - [ -0.0007240900000000, 0.0029811600000000, 0.0018130500000000 ] - [ -0.1200154900000000, -0.1715906100000000, -0.0157944600000000 ] - [ 0.0004157700000000, 0.0024227900000000, 0.0003164200000000 ] - [ -0.0000390700000000, 0.0001661700000000, -0.0002016900000000 ] - [ 0.0001155900000000, 0.0006013400000000, 0.0004439100000000 ] - [ 0.0010961600000000, -0.0022695900000000, 0.0005573700000000 ] - [ -0.0003478000000000, 0.0005818700000000, 0.0005210200000000 ] - [ 0.0000408300000000, -0.0030977100000000, 0.0000530900000000 ] - [ -0.0004464600000000, 0.0016171900000000, -0.0004762900000000 ] - [ 0.0133724800000000, -0.0076922400000000, 0.0018827900000000 ] - [ -0.0001413100000000, 0.0008573800000000, 0.0001681800000000 ] - [ 0.0017924700000000, 0.0006836700000000, 0.0001741600000000 ] - [ -0.0004271200000000, 0.0004731700000000, -0.0001211200000000 ] - [ 0.0037763400000000, 0.0184137700000000, -0.0073378500000000 ] - [ -0.0016453400000000, 0.0056819300000000, -0.0006514200000000 ] - [ -0.0016853800000000, -0.0015175700000000, 0.0003113100000000 ] - [ -0.0001341800000000, 0.0009296300000000, 0.0000952600000000 ] - [ 0.0065410400000000, -0.0040056100000000, -0.0051085000000000 ] - [ -0.0003721200000000, 0.0022084200000000, 0.0006862000000000 ] - [ -0.0000323800000000, -0.0013815700000000, -0.0001859900000000 ] - [ 0.0003442100000000, 0.0004546000000000, -0.0004306300000000 ] - [ 0.0012951200000000, 0.0036300800000000, -0.0022417600000000 ] - [ -0.0072930200000000, -0.0010708200000000, 0.0054602400000000 ] - [ 0.0002508400000000, -0.0005441500000000, -0.0012825600000000 ] - [ 0.0003201600000000, 0.0004912600000000, 0.0003665900000000 ] - [ -0.0001071500000000, 0.0007047100000000, 0.0002846600000000 ] - [ 0.0028289800000000, 0.0008675000000000, -0.0044456200000000 ] - [ -0.0002337000000000, 0.0004058300000000, -0.0001922900000000 ] - [ -0.0002778800000000, -0.0001270900000000, -0.0005623700000000 ] - [ -0.0010357800000000, 0.0026979500000000, -0.0002476700000000 ] - [ 0.0142726100000000, 0.0151245000000000, 0.0299420200000000 ] - [ -0.0092261100000000, -0.0019117700000000, -0.0187187900000000 ] - [ -0.0000035700000000, 0.0020992900000000, -0.0003005200000000 ] - [ 0.0086851600000000, -0.0000879300000000, 0.0051455200000000 ] - [ -0.0006423100000000, 0.0009308100000000, -0.0005681900000000 ] - [ -0.0001751000000000, -0.0020908600000000, -0.0006167100000000 ] - [ 0.0002294100000000, 0.0008825700000000, -0.0004239400000000 ] - [ 0.0001274400000000, -0.0007111900000000, 0.0000884700000000 ] - [ 0.0002592400000000, 0.0007102300000000, -0.0002715400000000 ] - [ -0.0002303200000000, -0.0006235500000000, -0.0000257900000000 ] - [ -0.0000804100000000, 0.0004377600000000, 0.0002432900000000 ] - [ 0.0002366100000000, 0.0001525500000000, 0.0000122300000000 ] - [ 0.0000707700000000, 0.0001483600000000, 0.0000229900000000 ] - [ 0.0004620200000000, -0.0007129900000000, -0.0009267000000000 ] - [ -0.0002215000000000, 0.0005687800000000, 0.0000923100000000 ] - [ -0.0002173500000000, -0.0003108000000000, 0.0005371500000000 ] - [ 0.0002501800000000, -0.0000405300000000, 0.0001903300000000 ] - [ -0.0000689600000000, 0.0001473400000000, 0.0002264200000000 ] - [ 0.0000637600000000, 0.0001456600000000, -0.0001369100000000 ] - [ 0.0008056700000000, 0.0002100000000000, -0.0003353600000000 ] - [ -0.0000888100000000, 0.0001237800000000, -0.0001196200000000 ] - [ 0.0009238200000000, -0.0000736000000000, -0.0006454100000000 ] - [ 0.0000777100000000, 0.0005350600000000, -0.0000459500000000 ] - [ 0.0003683000000000, -0.0004693200000000, -0.0000120000000000 ] - [ 0.0001562000000000, 0.0003377900000000, -0.0001735500000000 ] - [ -0.0000235500000000, 0.0006766300000000, 0.0001777100000000 ] - [ -0.0000194300000000, -0.0006987400000000, -0.0000337300000000 ] - [ 0.0000789400000000, 0.0001381700000000, 0.0001053600000000 ] - [ 0.0005435700000000, 0.0000315500000000, -0.0000389100000000 ] - [ -0.0000204900000000, -0.0004018000000000, -0.0005466500000000 ] - [ 0.0004020800000000, 0.0003845600000000, -0.0011263100000000 ] - [ -0.0002097100000000, -0.0007071400000000, -0.0000078000000000 ] - [ -0.0000216300000000, 0.0001757900000000, -0.0002922200000000 ] - [ -0.0001419100000000, 0.0001164900000000, 0.0002580600000000 ] - [ -0.0001854500000000, -0.0002425200000000, -0.0009652500000000 ] - [ 0.0005793000000000, -0.0001005100000000, 0.0000881200000000 ] - [ 0.0002730300000000, 0.0003461200000000, 0.0002174900000000 ] - [ 0.0007921100000000, 0.0003907900000000, 0.0017471200000000 ] - [ -0.0003739400000000, 0.0004328000000000, -0.0000763700000000 ] - [ 0.0004776100000000, -0.0006041000000000, 0.0001034300000000 ] - [ 0.0001794100000000, 0.0000488800000000, 0.0002208100000000 ] - [ -0.0000601900000000, 0.0001451600000000, -0.0000112400000000 ] - [ -0.0001882300000000, -0.0000087900000000, -0.0002061800000000 ] - [ 0.0000147400000000, 0.0000140700000000, -0.0000164200000000 ] - [ 0.0002610700000000, -0.0001331400000000, 0.0001788700000000 ] - [ -0.0004952800000000, 0.0001417800000000, 0.0004484400000000 ] - [ 0.0003707400000000, 0.0002798100000000, 0.0002639700000000 ] - [ 0.0003780900000000, 0.0006449000000000, 0.0000027900000000 ] - [ -0.0001352700000000, -0.0006905700000000, 0.0002573100000000 ]- atom: 59 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001674600000000, 0.0013225300000000, 0.0010802900000000 ] - [ -0.0011343600000000, -0.0013694000000000, -0.0011090800000000 ] - [ 0.0008202800000000, 0.0002326100000000, -0.0006917200000000 ] - [ -0.0003335700000000, 0.0003185800000000, 0.0001541200000000 ] - [ 0.0001665700000000, 0.0004119900000000, -0.0003547000000000 ] - [ 0.0000080100000000, -0.0004148000000000, 0.0009410200000000 ] - [ -0.0019007200000000, 0.0001870500000000, 0.0000694100000000 ] - [ 0.0010617500000000, 0.0013083100000000, -0.0003072200000000 ] - [ 0.0001152600000000, -0.0002666800000000, -0.0001170300000000 ] - [ -0.0001043100000000, 0.0002290000000000, 0.0001161900000000 ] - [ 0.0005737000000000, -0.0007896800000000, 0.0006110700000000 ] - [ 0.0000928700000000, 0.0003941000000000, -0.0000063600000000 ] - [ -0.0003575800000000, -0.0005143400000000, 0.0007127500000000 ] - [ 0.0001365900000000, 0.0004311400000000, -0.0002239100000000 ] - [ 0.0001255400000000, -0.0006365500000000, -0.0000831000000000 ] - [ -0.0000574300000000, 0.0003484900000000, 0.0000281100000000 ] - [ 0.0001550000000000, -0.0018368700000000, 0.0007136000000000 ] - [ 0.0001632000000000, 0.0013975500000000, 0.0000847800000000 ] - [ 0.0002089700000000, -0.0008623200000000, -0.0005923900000000 ] - [ -0.0003464000000000, 0.0009623400000000, -0.0003410100000000 ] - [ -0.0889429600000000, -0.1080774100000000, -0.0012318600000000 ] - [ -0.0010117700000000, 0.0053125400000000, -0.0003645400000000 ] - [ 0.0003505100000000, 0.0069129300000000, -0.0100313100000000 ] - [ -0.0084181000000000, 0.0124916100000000, 0.0082045300000000 ] - [ 0.0030656200000000, -0.0034025600000000, -0.0034063700000000 ] - [ 0.0001842100000000, 0.0036187600000000, 0.0003802500000000 ] - [ 0.0044614900000000, -0.0048123000000000, -0.0047849900000000 ] - [ -0.0000061000000000, 0.0015318800000000, 0.0000669100000000 ] - [ -0.0002501500000000, -0.0002000000000000, 0.0001026400000000 ] - [ 0.0004937000000000, 0.0012851500000000, -0.0002698200000000 ] - [ -0.0002107300000000, 0.0010121700000000, 0.0008391500000000 ] - [ 0.0001380700000000, 0.0001736800000000, 0.0005248600000000 ] - [ 0.0002205900000000, 0.0003722900000000, 0.0002155700000000 ] - [ 0.0008016800000000, -0.0002883800000000, 0.0002692400000000 ] - [ 0.0002711200000000, -0.0006139500000000, 0.0000623300000000 ] - [ 0.0001167200000000, 0.0008654700000000, 0.0000292700000000 ] - [ -0.0001106900000000, 0.0004933300000000, 0.0000836700000000 ] - [ -0.0004815600000000, -0.0004506400000000, -0.0008992300000000 ] - [ 0.0017400600000000, 0.0005203200000000, -0.0002181600000000 ] - [ -0.0002226800000000, -0.0001421600000000, -0.0001228100000000 ] - [ -0.0018764100000000, -0.0108399800000000, -0.0010774500000000 ] - [ -0.0000839700000000, 0.0033913000000000, -0.0008116400000000 ] - [ -0.0009400200000000, -0.0006445600000000, -0.0002034100000000 ] - [ -0.0000789600000000, 0.0008811800000000, 0.0002632000000000 ] - [ -0.0047925800000000, -0.0446154900000000, -0.0027565300000000 ] - [ -0.0001635600000000, 0.0030827000000000, 0.0007073200000000 ] - [ 0.0067673000000000, -0.0010314400000000, 0.0013718400000000 ] - [ -0.0003839800000000, 0.0008982300000000, -0.0001023300000000 ] - [ -0.0005416800000000, -0.0002979300000000, 0.0005817500000000 ] - [ 0.0002112400000000, 0.0002426300000000, -0.0001409900000000 ] - [ -0.0006703500000000, 0.0003188200000000, 0.0003918600000000 ] - [ -0.0006326100000000, -0.0001560700000000, -0.0028638700000000 ] - [ 0.0007347000000000, -0.0001630100000000, -0.0003813600000000 ] - [ 0.0000634700000000, 0.0001777700000000, 0.0000104300000000 ] - [ 0.0004337300000000, 0.0002949200000000, -0.0001646500000000 ] - [ 0.0009926900000000, 0.0004194300000000, -0.0003850500000000 ] - [ -0.0002105700000000, 0.0005544500000000, 0.0024743800000000 ] - [ 0.0003923500000000, -0.0030812300000000, -0.0015974800000000 ] - [ 0.1252950600000000, 0.1753889900000000, 0.0164589200000000 ] - [ -0.0004514800000000, -0.0022282700000000, -0.0002995500000000 ] - [ -0.0000977800000000, 0.0001699700000000, 0.0001884900000000 ] - [ -0.0002426000000000, -0.0002705900000000, -0.0004522300000000 ] - [ -0.0012991100000000, 0.0016307800000000, 0.0003219800000000 ] - [ 0.0001639600000000, -0.0012402400000000, 0.0003583900000000 ] - [ 0.0000273600000000, 0.0032988600000000, -0.0000698800000000 ] - [ 0.0004795700000000, -0.0014131000000000, 0.0004634300000000 ] - [ -0.0134141900000000, 0.0077207100000000, -0.0019979400000000 ] - [ 0.0003280400000000, -0.0006819200000000, -0.0002872100000000 ] - [ -0.0016900700000000, -0.0003592300000000, -0.0001685400000000 ] - [ 0.0005485600000000, -0.0001425500000000, 0.0001265400000000 ] - [ -0.0035013800000000, -0.0189332300000000, 0.0072221000000000 ] - [ 0.0019768600000000, -0.0057275600000000, 0.0004500800000000 ] - [ 0.0013148500000000, 0.0014916400000000, -0.0002214700000000 ] - [ -0.0002327100000000, -0.0009857900000000, -0.0000257500000000 ] - [ -0.0062368000000000, 0.0040969800000000, 0.0051453200000000 ] - [ 0.0007495000000000, -0.0021768900000000, -0.0007468700000000 ] - [ 0.0002069500000000, 0.0007235900000000, -0.0007081600000000 ] - [ -0.0001621700000000, -0.0011121200000000, -0.0004541900000000 ] - [ -0.0017578400000000, -0.0041505400000000, 0.0018771100000000 ] - [ 0.0068067100000000, 0.0005700200000000, -0.0058084200000000 ] - [ -0.0001762200000000, 0.0003290300000000, 0.0011938800000000 ] - [ -0.0002398600000000, -0.0007148600000000, -0.0004268700000000 ] - [ 0.0007424200000000, -0.0004132800000000, -0.0000754300000000 ] - [ -0.0021872900000000, -0.0005743300000000, 0.0046617100000000 ] - [ -0.0003957000000000, -0.0001113900000000, -0.0000181700000000 ] - [ -0.0003551600000000, 0.0004117200000000, 0.0003490200000000 ] - [ 0.0014966300000000, -0.0032098300000000, 0.0006523100000000 ] - [ -0.0136263900000000, -0.0156206500000000, -0.0292296300000000 ] - [ 0.0088614600000000, 0.0020973600000000, 0.0187239500000000 ] - [ -0.0003649500000000, -0.0020698000000000, 0.0003582400000000 ] - [ -0.0089666100000000, -0.0002295600000000, -0.0053006600000000 ] - [ 0.0005640400000000, -0.0011542600000000, 0.0006365500000000 ] - [ -0.0000098500000000, 0.0022679100000000, 0.0007555700000000 ] - [ -0.0004177200000000, -0.0007078000000000, 0.0005486000000000 ] - [ 0.0002443100000000, 0.0006757700000000, -0.0001614800000000 ] - [ 0.0001120600000000, -0.0007626000000000, 0.0002015900000000 ] - [ -0.0001043100000000, 0.0005448800000000, 0.0002358900000000 ] - [ -0.0002574400000000, -0.0005241100000000, -0.0000290000000000 ] - [ -0.0002705200000000, 0.0000576100000000, 0.0000053400000000 ] - [ -0.0001086900000000, 0.0000568200000000, -0.0000063700000000 ] - [ -0.0005800900000000, 0.0010457800000000, 0.0009237900000000 ] - [ 0.0000976000000000, -0.0002375700000000, -0.0000993800000000 ] - [ 0.0000337400000000, -0.0003390600000000, 0.0003504900000000 ] - [ -0.0004334300000000, -0.0006223500000000, 0.0006965500000000 ] - [ 0.0001022000000000, 0.0000601300000000, -0.0002462600000000 ] - [ -0.0000258700000000, 0.0000559600000000, 0.0001184800000000 ] - [ -0.0006298400000000, -0.0000320600000000, 0.0002208600000000 ] - [ 0.0002680700000000, 0.0000531800000000, 0.0000015000000000 ] - [ -0.0008074000000000, 0.0004015900000000, 0.0006673600000000 ] - [ 0.0000507500000000, -0.0002013500000000, 0.0000521500000000 ] - [ -0.0000345900000000, 0.0003829800000000, -0.0002012900000000 ] - [ 0.0001795000000000, -0.0004250700000000, -0.0000407900000000 ] - [ -0.0003513800000000, -0.0007271500000000, -0.0001072300000000 ] - [ -0.0003552100000000, 0.0006572800000000, 0.0001063400000000 ] - [ 0.0002938400000000, -0.0000971600000000, -0.0001595000000000 ] - [ -0.0001739100000000, 0.0000032900000000, -0.0000191000000000 ] - [ 0.0002055500000000, -0.0002484700000000, -0.0003353200000000 ] - [ -0.0002207700000000, -0.0010448300000000, 0.0002468200000000 ] - [ -0.0002317500000000, 0.0002234300000000, -0.0003840600000000 ] - [ -0.0004222700000000, -0.0006710200000000, -0.0000967500000000 ] - [ 0.0002223800000000, -0.0003377700000000, -0.0003271800000000 ] - [ 0.0002674800000000, 0.0000218800000000, 0.0008979400000000 ] - [ 0.0000417300000000, 0.0003976200000000, 0.0001163200000000 ] - [ 0.0003571400000000, -0.0000550000000000, -0.0000039100000000 ] - [ -0.0014388100000000, -0.0001001700000000, -0.0019893000000000 ] - [ -0.0002561400000000, -0.0001414600000000, -0.0001399700000000 ] - [ -0.0000430000000000, 0.0001199900000000, 0.0002867800000000 ] - [ 0.0002620700000000, -0.0005411000000000, 0.0001691600000000 ] - [ -0.0003170600000000, -0.0001101000000000, 0.0000704300000000 ] - [ -0.0001926800000000, 0.0000441400000000, 0.0002696200000000 ] - [ -0.0000963600000000, -0.0002338000000000, 0.0000775600000000 ] - [ -0.0003459700000000, -0.0000907600000000, -0.0001171100000000 ] - [ 0.0003109700000000, 0.0000385400000000, -0.0003384300000000 ] - [ -0.0005508700000000, -0.0001052300000000, -0.0001516000000000 ] - [ -0.0000117300000000, -0.0006955000000000, -0.0000774900000000 ] - [ 0.0005039800000000, 0.0006455400000000, -0.0003348100000000 ]- atom: 59 displacement: [ -0.0066066504307377, 0.0000000000000000, 0.0075068082489187 ] forces: - [ -0.0003127600000000, -0.0000112400000000, 0.0004385700000000 ] - [ -0.0018242300000000, 0.0006371200000000, 0.0007582900000000 ] - [ 0.0010113500000000, 0.0008475700000000, -0.0009616900000000 ] - [ 0.0007842200000000, -0.0004861500000000, -0.0005426100000000 ] - [ 0.0001872400000000, 0.0001776700000000, -0.0003405700000000 ] - [ 0.0001516700000000, -0.0002285600000000, -0.0007153700000000 ] - [ -0.0002307500000000, -0.0011088300000000, 0.0012418000000000 ] - [ -0.0004849800000000, 0.0008853500000000, 0.0008704000000000 ] - [ 0.0004483700000000, -0.0001271200000000, -0.0003075300000000 ] - [ 0.0000981500000000, 0.0000729400000000, -0.0000997400000000 ] - [ -0.0000133800000000, -0.0001765800000000, 0.0010855100000000 ] - [ -0.0000062700000000, 0.0000177400000000, 0.0000878700000000 ] - [ -0.0004478800000000, -0.0005616600000000, -0.0013113600000000 ] - [ -0.0000733400000000, 0.0002563500000000, -0.0000661000000000 ] - [ 0.0009712300000000, -0.0003224100000000, 0.0002289100000000 ] - [ 0.0000369800000000, 0.0000534000000000, -0.0000089800000000 ] - [ -0.0005121400000000, -0.0004832200000000, 0.0001817400000000 ] - [ -0.0001701400000000, 0.0001618500000000, 0.0000798700000000 ] - [ 0.0022622200000000, 0.0004375600000000, -0.0045913700000000 ] - [ 0.0002312300000000, 0.0002844700000000, -0.0008547800000000 ] - [ -0.0658154100000000, -0.0595207700000000, 0.0150242400000000 ] - [ 0.0002357200000000, -0.0003823900000000, 0.0008749000000000 ] - [ -0.0004876000000000, 0.0024589800000000, -0.0003624700000000 ] - [ -0.0027737400000000, -0.0072294900000000, 0.0001092300000000 ] - [ -0.0002663400000000, 0.0024387400000000, -0.0048735500000000 ] - [ -0.0006902600000000, -0.0010180800000000, -0.0004607900000000 ] - [ 0.0139572200000000, 0.0023735300000000, -0.0080089600000000 ] - [ 0.0001020900000000, 0.0002397100000000, 0.0006025500000000 ] - [ 0.0029123100000000, -0.0028077200000000, -0.0032663800000000 ] - [ 0.0010544500000000, 0.0018111100000000, -0.0005101100000000 ] - [ -0.0011091900000000, 0.0000595700000000, 0.0005186900000000 ] - [ -0.0008626400000000, 0.0002259300000000, 0.0004872600000000 ] - [ 0.0006060700000000, 0.0000385100000000, 0.0002435800000000 ] - [ 0.0011595800000000, 0.0001764400000000, 0.0002130300000000 ] - [ 0.0006387700000000, -0.0002357300000000, -0.0002620300000000 ] - [ 0.0001972600000000, 0.0003092500000000, -0.0000920000000000 ] - [ -0.0001743700000000, -0.0000632100000000, -0.0005849700000000 ] - [ -0.0004293400000000, 0.0001685800000000, -0.0014519400000000 ] - [ 0.0005854500000000, 0.0004606400000000, 0.0001392600000000 ] - [ 0.0004075600000000, -0.0000788600000000, -0.0001147500000000 ] - [ 0.0029382300000000, -0.0039449100000000, -0.0072136000000000 ] - [ 0.0003785600000000, 0.0004050500000000, -0.0003778200000000 ] - [ -0.0013030800000000, 0.0001168800000000, -0.0004406400000000 ] - [ -0.0006488200000000, 0.0001442600000000, -0.0000767600000000 ] - [ -0.0225234400000000, -0.0023657800000000, 0.0395809200000000 ] - [ -0.0005206400000000, 0.0002314600000000, 0.0005904900000000 ] - [ -0.0009998600000000, 0.0000243200000000, 0.0001680500000000 ] - [ 0.0002993700000000, 0.0001993600000000, 0.0001648200000000 ] - [ -0.0004426200000000, -0.0003346000000000, 0.0003742700000000 ] - [ -0.0004583100000000, 0.0003981800000000, 0.0002937300000000 ] - [ -0.0007659100000000, -0.0006565000000000, 0.0001342800000000 ] - [ -0.0007185000000000, 0.0001114600000000, -0.0053593700000000 ] - [ 0.0008561900000000, -0.0000488200000000, -0.0004891100000000 ] - [ 0.0006636500000000, 0.0001748800000000, -0.0003466800000000 ] - [ 0.0010060100000000, -0.0007427400000000, -0.0006483100000000 ] - [ 0.0019501800000000, 0.0016218800000000, -0.0017987600000000 ] - [ 0.0001001900000000, -0.0013135100000000, 0.0004369000000000 ] - [ 0.0002845600000000, 0.0014050100000000, 0.0007475700000000 ] - [ 0.0966249200000000, 0.0696371700000000, -0.0516137100000000 ] - [ 0.0002173500000000, 0.0000476400000000, -0.0002547500000000 ] - [ 0.0005153400000000, -0.0000757500000000, 0.0001437900000000 ] - [ 0.0002684900000000, 0.0001567200000000, 0.0000143400000000 ] - [ 0.0003148300000000, -0.0003608200000000, 0.0000044300000000 ] - [ -0.0000436500000000, -0.0004267300000000, 0.0003609200000000 ] - [ 0.0004329800000000, 0.0000578000000000, 0.0028152100000000 ] - [ -0.0000878200000000, 0.0001442100000000, 0.0001742700000000 ] - [ -0.0285676300000000, -0.0062053000000000, -0.0147965100000000 ] - [ 0.0006119800000000, 0.0000675100000000, -0.0006073900000000 ] - [ 0.0004289200000000, 0.0003810600000000, -0.0005589300000000 ] - [ 0.0001848100000000, 0.0001813800000000, -0.0001852200000000 ] - [ 0.0021731800000000, -0.0026125200000000, -0.0020776200000000 ] - [ 0.0006685800000000, 0.0007640100000000, -0.0014256000000000 ] - [ -0.0047838200000000, 0.0037904600000000, 0.0043673600000000 ] - [ -0.0001580900000000, -0.0006263400000000, -0.0001989500000000 ] - [ -0.0113639400000000, -0.0045535200000000, 0.0032631100000000 ] - [ 0.0001670800000000, 0.0000280100000000, -0.0001662500000000 ] - [ 0.0005822300000000, -0.0000290600000000, -0.0002965500000000 ] - [ 0.0002206900000000, -0.0003292600000000, -0.0004366300000000 ] - [ -0.0003541500000000, -0.0009225400000000, -0.0000734900000000 ] - [ -0.0045403400000000, 0.0057347200000000, 0.0039508900000000 ] - [ 0.0006842600000000, -0.0003556700000000, 0.0010997900000000 ] - [ 0.0002948700000000, 0.0000195000000000, 0.0003547200000000 ] - [ 0.0004648000000000, 0.0004552900000000, -0.0000876700000000 ] - [ -0.0032450500000000, -0.0034691100000000, 0.0069873500000000 ] - [ -0.0005856100000000, 0.0002721800000000, 0.0004149200000000 ] - [ -0.0010067700000000, 0.0001736700000000, 0.0018049300000000 ] - [ 0.0007612900000000, -0.0008628100000000, -0.0000533400000000 ] - [ 0.0124229500000000, 0.0088186800000000, 0.0039051600000000 ] - [ 0.0137785900000000, -0.0053408000000000, 0.0085104000000000 ] - [ 0.0001447200000000, 0.0002041500000000, -0.0002651500000000 ] - [ 0.0052365300000000, 0.0020529900000000, -0.0002161100000000 ] - [ -0.0000346700000000, -0.0002037800000000, -0.0003634300000000 ] - [ -0.0028353800000000, 0.0009284500000000, 0.0037563800000000 ] - [ -0.0005106700000000, -0.0000379000000000, 0.0006068700000000 ] - [ -0.0011910500000000, -0.0006421200000000, 0.0020539700000000 ] - [ -0.0001746100000000, -0.0004871400000000, 0.0004662200000000 ] - [ -0.0001461700000000, 0.0001417800000000, 0.0004854400000000 ] - [ -0.0001751300000000, -0.0000727600000000, 0.0001709200000000 ] - [ -0.0003963300000000, 0.0000526100000000, 0.0000261300000000 ] - [ -0.0003953200000000, -0.0000633400000000, 0.0000271300000000 ] - [ -0.0014998800000000, 0.0007661600000000, 0.0021512000000000 ] - [ -0.0002552200000000, 0.0004163400000000, 0.0002062400000000 ] - [ -0.0011105500000000, 0.0010495200000000, 0.0008224400000000 ] - [ -0.0006816900000000, -0.0010094500000000, 0.0008228700000000 ] - [ 0.0000895500000000, 0.0002268400000000, 0.0000083200000000 ] - [ 0.0002676700000000, -0.0001287000000000, 0.0001695000000000 ] - [ -0.0005897300000000, -0.0001456300000000, -0.0000125300000000 ] - [ -0.0003745000000000, 0.0001479900000000, 0.0000691700000000 ] - [ -0.0024924600000000, -0.0009754000000000, 0.0015641300000000 ] - [ -0.0000313600000000, 0.0003023600000000, 0.0000140900000000 ] - [ -0.0001692200000000, 0.0000704400000000, -0.0000494000000000 ] - [ 0.0000648400000000, -0.0000916000000000, -0.0000688600000000 ] - [ -0.0001545000000000, -0.0001522100000000, 0.0000160600000000 ] - [ -0.0001620000000000, 0.0001435300000000, 0.0000418700000000 ] - [ 0.0001163800000000, 0.0001114200000000, -0.0000607400000000 ] - [ -0.0002176500000000, -0.0003117100000000, -0.0001750600000000 ] - [ 0.0000729800000000, 0.0006865100000000, 0.0003545200000000 ] - [ -0.0007122100000000, -0.0017652800000000, 0.0011658300000000 ] - [ -0.0004536400000000, 0.0000759100000000, -0.0003605000000000 ] - [ -0.0002558600000000, -0.0004736100000000, -0.0001825100000000 ] - [ 0.0002675600000000, 0.0000631100000000, 0.0000912800000000 ] - [ 0.0007196200000000, -0.0003968400000000, 0.0013247800000000 ] - [ 0.0003885600000000, 0.0000633700000000, 0.0004014800000000 ] - [ 0.0003001500000000, 0.0001236500000000, 0.0002573700000000 ] - [ 0.0001010900000000, 0.0002528600000000, -0.0002298000000000 ] - [ -0.0001546500000000, 0.0000620500000000, -0.0003439700000000 ] - [ -0.0002345500000000, -0.0000172400000000, 0.0004375100000000 ] - [ 0.0000515500000000, -0.0002701800000000, 0.0003117100000000 ] - [ -0.0004127700000000, -0.0000850000000000, 0.0002935000000000 ] - [ -0.0005237200000000, -0.0001418500000000, 0.0005904000000000 ] - [ -0.0005305900000000, 0.0000271500000000, 0.0000520400000000 ] - [ -0.0009327600000000, -0.0003958500000000, 0.0002157800000000 ] - [ 0.0002956700000000, 0.0001480800000000, -0.0003653400000000 ] - [ 0.0002280200000000, -0.0000620100000000, -0.0003201400000000 ] - [ 0.0003514000000000, -0.0000396400000000, -0.0001870600000000 ] - [ 0.0005811700000000, 0.0001153000000000, -0.0002510900000000 ]- atom: 59 displacement: [ 0.0066066504307377, 0.0000000000000000, -0.0075068082489187 ] forces: - [ 0.0000555700000000, 0.0000117500000000, -0.0003538700000000 ] - [ 0.0015539400000000, -0.0006399200000000, -0.0006778500000000 ] - [ -0.0007174000000000, -0.0008685400000000, 0.0008892200000000 ] - [ -0.0004918500000000, 0.0004547500000000, 0.0004730000000000 ] - [ 0.0000682600000000, -0.0001813600000000, 0.0002563100000000 ] - [ 0.0000999500000000, 0.0002259700000000, 0.0006353000000000 ] - [ -0.0000575100000000, 0.0010751400000000, -0.0011789800000000 ] - [ 0.0001972200000000, -0.0009060100000000, -0.0008057800000000 ] - [ -0.0007058100000000, 0.0001238500000000, 0.0003941400000000 ] - [ -0.0003544400000000, -0.0000752600000000, 0.0001866500000000 ] - [ 0.0003155400000000, 0.0001485700000000, -0.0011495800000000 ] - [ 0.0002998200000000, -0.0000450400000000, -0.0001568100000000 ] - [ 0.0007044000000000, 0.0005586400000000, 0.0012286700000000 ] - [ 0.0003300500000000, -0.0002592300000000, -0.0000205900000000 ] - [ -0.0012572800000000, 0.0002919200000000, -0.0001573400000000 ] - [ -0.0003300100000000, -0.0000807100000000, 0.0000783600000000 ] - [ 0.0005198100000000, 0.0005739100000000, -0.0001685900000000 ] - [ 0.0001715400000000, -0.0000648700000000, -0.0000781100000000 ] - [ -0.0027841300000000, -0.0002557100000000, 0.0047330200000000 ] - [ -0.0007591300000000, -0.0000867100000000, 0.0010035000000000 ] - [ 0.0655248600000000, 0.0582791600000000, -0.0155743600000000 ] - [ 0.0002006300000000, 0.0003987500000000, -0.0005179600000000 ] - [ 0.0004798700000000, -0.0021820600000000, 0.0003721500000000 ] - [ 0.0026562400000000, 0.0075483400000000, -0.0000882600000000 ] - [ -0.0002765300000000, -0.0024315300000000, 0.0045432500000000 ] - [ 0.0002440600000000, 0.0010320200000000, 0.0001064200000000 ] - [ -0.0135162500000000, -0.0022339700000000, 0.0077785800000000 ] - [ 0.0004240400000000, -0.0000452700000000, -0.0007573500000000 ] - [ -0.0029161400000000, 0.0029124700000000, 0.0032693200000000 ] - [ -0.0010574500000000, -0.0017228200000000, 0.0005035300000000 ] - [ 0.0005969200000000, 0.0001301900000000, -0.0003599200000000 ] - [ 0.0003429300000000, -0.0000404600000000, -0.0003317200000000 ] - [ -0.0001585800000000, -0.0000338900000000, 0.0001169700000000 ] - [ -0.0007090600000000, -0.0001722300000000, 0.0001521300000000 ] - [ -0.0006343600000000, 0.0005196500000000, 0.0002610900000000 ] - [ -0.0001953700000000, -0.0000241000000000, 0.0000929200000000 ] - [ -0.0002690400000000, 0.0000693300000000, 0.0002262800000000 ] - [ -0.0000102600000000, -0.0001625700000000, 0.0010897100000000 ] - [ -0.0000566400000000, -0.0002712300000000, -0.0002845100000000 ] - [ 0.0001157800000000, 0.0002605900000000, -0.0000328600000000 ] - [ -0.0032006600000000, 0.0038256800000000, 0.0072906300000000 ] - [ -0.0006516600000000, -0.0004806600000000, 0.0005096200000000 ] - [ 0.0005361200000000, 0.0000502700000000, 0.0006004400000000 ] - [ -0.0001256400000000, 0.0000288100000000, 0.0002282400000000 ] - [ 0.0227520700000000, 0.0023740100000000, -0.0402275800000000 ] - [ 0.0007929600000000, -0.0003061000000000, -0.0007233000000000 ] - [ 0.0017938600000000, 0.0001430300000000, -0.0003134800000000 ] - [ 0.0004717300000000, -0.0000287000000000, -0.0003132400000000 ] - [ 0.0001759700000000, 0.0002570600000000, -0.0002450000000000 ] - [ 0.0001927500000000, -0.0004721300000000, -0.0001632800000000 ] - [ -0.0000060800000000, 0.0008330200000000, 0.0000119900000000 ] - [ -0.0000483600000000, 0.0000613800000000, 0.0055217100000000 ] - [ -0.0005841600000000, -0.0000257300000000, 0.0003579200000000 ] - [ -0.0003923900000000, -0.0002517200000000, 0.0002195800000000 ] - [ -0.0002327900000000, 0.0009187800000000, 0.0005014000000000 ] - [ -0.0011759800000000, -0.0014480700000000, 0.0016442700000000 ] - [ -0.0004215900000000, 0.0012364600000000, -0.0002216600000000 ] - [ -0.0006061400000000, -0.0014944400000000, -0.0005374200000000 ] - [ -0.0957457600000000, -0.0681778200000000, 0.0532851500000000 ] - [ -0.0002494600000000, 0.0001576100000000, 0.0002776500000000 ] - [ -0.0006509500000000, 0.0004120000000000, -0.0001533400000000 ] - [ -0.0003943300000000, 0.0001749100000000, -0.0000232100000000 ] - [ -0.0005073700000000, -0.0002876700000000, 0.0008740200000000 ] - [ -0.0001411000000000, -0.0002278100000000, 0.0005206700000000 ] - [ -0.0003764200000000, 0.0001465800000000, -0.0028054000000000 ] - [ 0.0001255700000000, 0.0000578100000000, -0.0001954300000000 ] - [ 0.0289495900000000, 0.0064311800000000, 0.0149110600000000 ] - [ -0.0004320400000000, 0.0001112100000000, 0.0004921400000000 ] - [ -0.0003143000000000, -0.0000530600000000, 0.0005632500000000 ] - [ -0.0000608500000000, 0.0001526000000000, 0.0001892400000000 ] - [ -0.0018074300000000, 0.0025247000000000, 0.0018449900000000 ] - [ -0.0003195900000000, -0.0008678700000000, 0.0012168700000000 ] - [ 0.0044709200000000, -0.0038797900000000, -0.0043309800000000 ] - [ -0.0002105800000000, 0.0005813300000000, 0.0002742000000000 ] - [ 0.0115049900000000, 0.0045103900000000, -0.0032366600000000 ] - [ 0.0002119500000000, 0.0000076200000000, 0.0001094200000000 ] - [ -0.0004058400000000, -0.0006271200000000, -0.0005967800000000 ] - [ -0.0000371300000000, -0.0003262800000000, -0.0004463800000000 ] - [ -0.0000841000000000, 0.0004339800000000, -0.0003165700000000 ] - [ 0.0040264400000000, -0.0061256700000000, -0.0042819500000000 ] - [ -0.0006022500000000, 0.0001375900000000, -0.0011800000000000 ] - [ -0.0002190200000000, -0.0002409700000000, -0.0004232600000000 ] - [ 0.0001696700000000, -0.0001678300000000, 0.0003039400000000 ] - [ 0.0039181800000000, 0.0038282300000000, -0.0068346800000000 ] - [ -0.0000445700000000, 0.0000190500000000, -0.0006279300000000 ] - [ 0.0003747300000000, 0.0001159200000000, -0.0020123100000000 ] - [ -0.0003178700000000, 0.0003719300000000, 0.0004441100000000 ] - [ -0.0119399100000000, -0.0093827200000000, -0.0036530700000000 ] - [ -0.0140602000000000, 0.0054158600000000, -0.0086238000000000 ] - [ -0.0005236700000000, -0.0001709700000000, 0.0003244700000000 ] - [ -0.0053865100000000, -0.0023427400000000, 0.0001629100000000 ] - [ -0.0000399900000000, -0.0000181200000000, 0.0004300900000000 ] - [ 0.0026475700000000, -0.0007432800000000, -0.0036215100000000 ] - [ 0.0003309600000000, 0.0002165000000000, -0.0004923700000000 ] - [ 0.0015643200000000, 0.0005991600000000, -0.0021286000000000 ] - [ 0.0005444300000000, 0.0004389900000000, -0.0005372900000000 ] - [ -0.0001932500000000, -0.0002328900000000, -0.0002797500000000 ] - [ -0.0001620300000000, -0.0000087200000000, 0.0000452500000000 ] - [ 0.0003600900000000, 0.0001537000000000, -0.0000074800000000 ] - [ 0.0003568400000000, 0.0002668400000000, -0.0000084300000000 ] - [ 0.0013803500000000, -0.0004321800000000, -0.0021576800000000 ] - [ 0.0001335700000000, -0.0000871800000000, -0.0002118100000000 ] - [ 0.0009314300000000, -0.0017140000000000, 0.0000600000000000 ] - [ 0.0004976400000000, 0.0003561100000000, 0.0000622100000000 ] - [ -0.0000590400000000, -0.0000210300000000, -0.0000318200000000 ] - [ -0.0002429000000000, 0.0003397000000000, -0.0001925500000000 ] - [ 0.0007699900000000, 0.0003232100000000, -0.0001090000000000 ] - [ 0.0005591700000000, 0.0000310900000000, -0.0001897800000000 ] - [ 0.0026247200000000, 0.0013082900000000, -0.0015490500000000 ] - [ 0.0001509300000000, 0.0000297600000000, -0.0000074100000000 ] - [ 0.0005009700000000, -0.0001547400000000, -0.0001594300000000 ] - [ 0.0002700300000000, 0.0000085600000000, -0.0001474600000000 ] - [ -0.0002155700000000, 0.0001041300000000, 0.0000530600000000 ] - [ -0.0002108000000000, -0.0001884700000000, 0.0000280700000000 ] - [ 0.0002586600000000, -0.0000736500000000, 0.0000044100000000 ] - [ 0.0005935900000000, 0.0003471900000000, 0.0001160400000000 ] - [ 0.0001115900000000, -0.0013469900000000, -0.0012375200000000 ] - [ 0.0009019800000000, 0.0011198900000000, -0.0020554600000000 ] - [ 0.0000162300000000, -0.0005604000000000, -0.0000284800000000 ] - [ -0.0001903700000000, -0.0000201900000000, -0.0002066800000000 ] - [ -0.0001923100000000, -0.0002849100000000, -0.0001587400000000 ] - [ -0.0006448600000000, 0.0001775100000000, -0.0013859600000000 ] - [ 0.0002397400000000, 0.0002289000000000, -0.0001960300000000 ] - [ 0.0003323000000000, 0.0001673400000000, -0.0000479000000000 ] - [ -0.0007410700000000, 0.0000395200000000, 0.0000050300000000 ] - [ -0.0004792900000000, 0.0002284100000000, 0.0001306400000000 ] - [ 0.0006659100000000, -0.0004687700000000, -0.0000514600000000 ] - [ 0.0003912600000000, -0.0002217500000000, 0.0000762600000000 ] - [ 0.0000341900000000, 0.0001226300000000, -0.0002363800000000 ] - [ 0.0001483100000000, 0.0001811600000000, -0.0005386400000000 ] - [ 0.0004569100000000, -0.0002478600000000, 0.0000124900000000 ] - [ 0.0008585300000000, 0.0001749800000000, -0.0001471800000000 ] - [ -0.0004836100000000, 0.0000316300000000, 0.0004772200000000 ] - [ -0.0004162600000000, 0.0002391200000000, 0.0004391700000000 ] - [ 0.0000168500000000, -0.0000133900000000, 0.0001162500000000 ] - [ -0.0002127200000000, -0.0001604200000000, 0.0001764500000000 ]- atom: 61 displacement: [ 0.0099999989202427, 0.0000000000000000, 0.0000046470576681 ] forces: - [ -0.0012375700000000, 0.0003454300000000, -0.0013126500000000 ] - [ -0.0003583200000000, -0.0003446100000000, -0.0003898100000000 ] - [ -0.0005181500000000, -0.0001489700000000, -0.0002436200000000 ] - [ -0.0001031300000000, 0.0001275200000000, -0.0001103400000000 ] - [ 0.0005448700000000, -0.0017580200000000, 0.0003094200000000 ] - [ 0.0002429700000000, 0.0017239600000000, 0.0001385000000000 ] - [ 0.0011447600000000, -0.0003120300000000, 0.0003552600000000 ] - [ 0.0000686700000000, 0.0001339000000000, 0.0000852900000000 ] - [ -0.0017177400000000, 0.0000103300000000, 0.0021002800000000 ] - [ -0.0001308900000000, -0.0000115400000000, 0.0003819100000000 ] - [ 0.0012127900000000, -0.0012474200000000, 0.0005802300000000 ] - [ 0.0007342500000000, 0.0012491300000000, 0.0009804700000000 ] - [ -0.0016436700000000, -0.0003299700000000, -0.0001171200000000 ] - [ -0.0002159900000000, 0.0002473500000000, -0.0001717900000000 ] - [ -0.0000228000000000, 0.0001947700000000, 0.0003842100000000 ] - [ -0.0002527000000000, -0.0000148600000000, -0.0001135100000000 ] - [ 0.0052966000000000, -0.0001583600000000, 0.0008505800000000 ] - [ 0.0094918400000000, 0.0060173900000000, -0.0073220800000000 ] - [ -0.0019483600000000, 0.0005461800000000, 0.0004641000000000 ] - [ -0.0012956200000000, -0.0002060900000000, 0.0001226700000000 ] - [ -0.0013852900000000, -0.0000830500000000, -0.0038332600000000 ] - [ -0.0002208900000000, 0.0003039400000000, -0.0009699100000000 ] - [ -0.0002054500000000, -0.0021664000000000, -0.0044687500000000 ] - [ -0.0000843300000000, 0.0012930500000000, -0.0010163900000000 ] - [ -0.0076141700000000, 0.0030457400000000, -0.0153040900000000 ] - [ 0.0004766400000000, -0.0002642500000000, -0.0002598500000000 ] - [ -0.0000807700000000, -0.0000756600000000, -0.0005396000000000 ] - [ 0.0000098400000000, 0.0003939700000000, -0.0000930100000000 ] - [ -0.0012171900000000, -0.0006594700000000, 0.0003373000000000 ] - [ -0.0004658600000000, 0.0002582200000000, 0.0000489400000000 ] - [ 0.1846379400000000, -0.0167778200000000, -0.0250686000000000 ] - [ 0.0005611800000000, 0.0009145300000000, 0.0002209000000000 ] - [ -0.0012017600000000, -0.0002662500000000, 0.0033936700000000 ] - [ 0.0003478500000000, 0.0001717300000000, 0.0014293900000000 ] - [ -0.0020120000000000, -0.0014559000000000, 0.0015837500000000 ] - [ -0.0004113000000000, 0.0011016500000000, 0.0008728600000000 ] - [ -0.0031535900000000, 0.0016591400000000, 0.0002943500000000 ] - [ -0.0009576900000000, -0.0007481500000000, -0.0001409600000000 ] - [ 0.0105553000000000, -0.0057946000000000, 0.0023994700000000 ] - [ 0.0009116000000000, 0.0010991100000000, 0.0000148900000000 ] - [ -0.0023346100000000, -0.0001578200000000, -0.0024050000000000 ] - [ -0.0007518600000000, -0.0006077600000000, -0.0001497200000000 ] - [ 0.0518849100000000, -0.0182921400000000, -0.0097797400000000 ] - [ 0.0009527000000000, 0.0011206800000000, -0.0001219500000000 ] - [ 0.0002927500000000, 0.0025021600000000, -0.0027596100000000 ] - [ 0.0006741700000000, -0.0009632900000000, -0.0009965400000000 ] - [ 0.0015790500000000, -0.0027361500000000, -0.0134695800000000 ] - [ -0.0004464500000000, 0.0015990400000000, -0.0003719000000000 ] - [ -0.0093475300000000, 0.0000621700000000, 0.0046049600000000 ] - [ -0.0000224100000000, 0.0003697300000000, 0.0002689900000000 ] - [ -0.0019161400000000, 0.0001266900000000, -0.0002348200000000 ] - [ -0.0011418000000000, 0.0002583800000000, -0.0001419600000000 ] - [ -0.0005678800000000, -0.0003561200000000, 0.0013253500000000 ] - [ 0.0000729500000000, 0.0001827900000000, 0.0003864600000000 ] - [ 0.0000155900000000, -0.0001491400000000, 0.0005427300000000 ] - [ 0.0001288200000000, 0.0004327500000000, 0.0004631900000000 ] - [ 0.0022125900000000, 0.0022247900000000, 0.0040118700000000 ] - [ -0.0002050400000000, -0.0004418300000000, 0.0002492200000000 ] - [ 0.0011259700000000, 0.0001256700000000, 0.0018139300000000 ] - [ 0.0001619000000000, 0.0002784000000000, 0.0006188700000000 ] - [ -0.2990487600000000, 0.0836692900000000, 0.0706501800000000 ] - [ -0.0007228500000000, -0.0002158300000000, -0.0000030300000000 ] - [ -0.0027201600000000, 0.0021697600000000, 0.0021614700000000 ] - [ -0.0004454000000000, -0.0020130300000000, 0.0017793900000000 ] - [ 0.0034872200000000, -0.0016359300000000, 0.0035446300000000 ] - [ 0.0003011400000000, 0.0005924700000000, 0.0004018900000000 ] - [ -0.0006217700000000, -0.0001885800000000, 0.0006928300000000 ] - [ -0.0004590500000000, 0.0000958000000000, 0.0000543700000000 ] - [ -0.0028389600000000, 0.0002404600000000, 0.0044063600000000 ] - [ -0.0003229500000000, -0.0006457700000000, 0.0003069100000000 ] - [ 0.0006570600000000, -0.0006101700000000, 0.0019996700000000 ] - [ 0.0003211900000000, -0.0005289000000000, 0.0004666800000000 ] - [ 0.0001950000000000, 0.0001785000000000, 0.0000839700000000 ] - [ -0.0000007400000000, -0.0001814500000000, 0.0000160200000000 ] - [ 0.0005834300000000, 0.0005600200000000, 0.0019242900000000 ] - [ 0.0003495700000000, 0.0003176300000000, 0.0005213800000000 ] - [ -0.0114295500000000, -0.0027470400000000, -0.0004863900000000 ] - [ -0.0024318100000000, -0.0021357500000000, -0.0000884000000000 ] - [ 0.0003738800000000, 0.0005661200000000, 0.0004667100000000 ] - [ 0.0001406400000000, -0.0009114900000000, 0.0007192000000000 ] - [ 0.0396720100000000, -0.0303041100000000, -0.0017852100000000 ] - [ -0.0010322800000000, -0.0000274800000000, -0.0002673200000000 ] - [ 0.0007265700000000, 0.0000236000000000, 0.0004065400000000 ] - [ 0.0005831300000000, 0.0000379500000000, 0.0004277300000000 ] - [ 0.0004018900000000, 0.0004264200000000, -0.0003772000000000 ] - [ 0.0002138100000000, -0.0001487400000000, -0.0004719700000000 ] - [ -0.0003177500000000, 0.0010770100000000, 0.0015282500000000 ] - [ 0.0002295300000000, -0.0010858600000000, 0.0007903100000000 ] - [ -0.0007551200000000, -0.0024210900000000, 0.0043994500000000 ] - [ -0.0005644100000000, 0.0001158600000000, 0.0001956500000000 ] - [ 0.0022531900000000, 0.0005557300000000, 0.0046537300000000 ] - [ 0.0004780600000000, -0.0004340100000000, 0.0006925400000000 ] - [ 0.0009399200000000, -0.0000364800000000, 0.0002101800000000 ] - [ 0.0003412500000000, 0.0001822100000000, 0.0000428900000000 ] - [ 0.0011703600000000, 0.0001992400000000, -0.0003353100000000 ] - [ 0.0004261900000000, 0.0000084400000000, -0.0001263100000000 ] - [ 0.0004599000000000, 0.0007998600000000, -0.0003178500000000 ] - [ 0.0003643400000000, -0.0009591300000000, -0.0004717500000000 ] - [ 0.0007344000000000, 0.0006363100000000, -0.0012644500000000 ] - [ -0.0001160800000000, -0.0000623100000000, -0.0003369500000000 ] - [ 0.0007122500000000, -0.0000132500000000, -0.0000936000000000 ] - [ 0.0007132500000000, -0.0000548400000000, -0.0000531100000000 ] - [ 0.0002584100000000, -0.0001417100000000, 0.0001389900000000 ] - [ 0.0001211500000000, -0.0006344700000000, 0.0002907400000000 ] - [ 0.0030421300000000, -0.0007758600000000, -0.0007866000000000 ] - [ 0.0000519800000000, 0.0000883500000000, -0.0001058300000000 ] - [ -0.0002870400000000, 0.0008699600000000, -0.0008999100000000 ] - [ 0.0001862900000000, -0.0001119500000000, -0.0002170400000000 ] - [ 0.0003379700000000, 0.0001392500000000, -0.0001861700000000 ] - [ 0.0003325500000000, 0.0003547300000000, -0.0003464800000000 ] - [ 0.0004992800000000, 0.0004603700000000, -0.0013453900000000 ] - [ 0.0004776500000000, -0.0002674600000000, -0.0008079900000000 ] - [ -0.0043574000000000, 0.0027455000000000, 0.0004435600000000 ] - [ -0.0008910500000000, -0.0009878100000000, -0.0004954800000000 ] - [ 0.0023189000000000, -0.0019350700000000, -0.0035869900000000 ] - [ 0.0002547800000000, -0.0001757400000000, -0.0005592400000000 ] - [ 0.0009038900000000, 0.0000813800000000, -0.0003751900000000 ] - [ 0.0004351600000000, -0.0003270100000000, -0.0003823800000000 ] - [ 0.0020392200000000, 0.0020935600000000, -0.0022784400000000 ] - [ -0.0002019900000000, -0.0006357600000000, -0.0003980600000000 ] - [ 0.0016001000000000, -0.0004820600000000, 0.0003905000000000 ] - [ 0.0006862800000000, 0.0000324500000000, 0.0002071600000000 ] - [ -0.0048386300000000, -0.0086932100000000, -0.0227955300000000 ] - [ -0.0000292900000000, -0.0002090100000000, 0.0001385800000000 ] - [ 0.0121087900000000, 0.0076076700000000, 0.0092829000000000 ] - [ -0.0004846100000000, -0.0008226500000000, -0.0001237000000000 ] - [ 0.0010079200000000, -0.0001788200000000, -0.0004127900000000 ] - [ 0.0004841500000000, -0.0006712800000000, -0.0000658200000000 ] - [ 0.0007653900000000, 0.0002338400000000, -0.0008729500000000 ] - [ 0.0001179400000000, 0.0001226600000000, -0.0002319500000000 ] - [ 0.0004972000000000, 0.0001637200000000, -0.0015871500000000 ] - [ 0.0000500000000000, -0.0004474900000000, -0.0006831800000000 ] - [ 0.0145203000000000, -0.0019907700000000, -0.0130733200000000 ] - [ -0.0002516200000000, -0.0001170400000000, -0.0000578900000000 ] - [ 0.0060769800000000, -0.0136412400000000, 0.0048885900000000 ] - [ -0.0009838900000000, -0.0004310400000000, 0.0001022300000000 ]- atom: 61 displacement: [ -0.0099999989202427, 0.0000000000000000, -0.0000046470576681 ] forces: - [ 0.0009682700000000, -0.0003470700000000, 0.0013815000000000 ] - [ 0.0001028100000000, 0.0003377300000000, 0.0004718500000000 ] - [ 0.0008070400000000, 0.0001201200000000, 0.0001760000000000 ] - [ 0.0003933500000000, -0.0001529800000000, 0.0000428400000000 ] - [ -0.0003953600000000, 0.0016563600000000, -0.0003773400000000 ] - [ 0.0000002700000000, -0.0017135400000000, -0.0002251800000000 ] - [ -0.0014231700000000, 0.0002816400000000, -0.0002854200000000 ] - [ -0.0003590100000000, -0.0001581800000000, -0.0000169600000000 ] - [ 0.0014411000000000, -0.0000169000000000, -0.0020054500000000 ] - [ -0.0001281200000000, 0.0000106900000000, -0.0002955700000000 ] - [ -0.0009019600000000, 0.0012094800000000, -0.0006566000000000 ] - [ -0.0004358300000000, -0.0012585300000000, -0.0010372900000000 ] - [ 0.0018845000000000, 0.0003218200000000, 0.0000319600000000 ] - [ 0.0004695200000000, -0.0002471500000000, 0.0000864600000000 ] - [ -0.0002666300000000, -0.0002196000000000, -0.0003046700000000 ] - [ -0.0000393700000000, -0.0000131500000000, 0.0001849200000000 ] - [ -0.0051479100000000, 0.0002919500000000, -0.0007645600000000 ] - [ -0.0093142300000000, -0.0058803700000000, 0.0072118900000000 ] - [ 0.0014101500000000, -0.0003593100000000, -0.0003038200000000 ] - [ 0.0007662700000000, 0.0003970100000000, 0.0000383700000000 ] - [ 0.0018210500000000, 0.0000861300000000, 0.0041800800000000 ] - [ 0.0006626100000000, -0.0002913300000000, 0.0013243600000000 ] - [ 0.0002035600000000, 0.0024391600000000, 0.0044533400000000 ] - [ 0.0000800700000000, -0.0010002500000000, 0.0010113900000000 ] - [ 0.0071247600000000, -0.0030408800000000, 0.0148514000000000 ] - [ -0.0009201100000000, 0.0002772700000000, -0.0001003200000000 ] - [ 0.0006053700000000, 0.0002610600000000, 0.0003776000000000 ] - [ 0.0005138800000000, -0.0002014800000000, -0.0000634200000000 ] - [ 0.0012069700000000, 0.0007422000000000, -0.0003331000000000 ] - [ 0.0004620700000000, -0.0001626600000000, -0.0000485700000000 ] - [ -0.1740757600000000, 0.0151715700000000, 0.0232817800000000 ] - [ -0.0010765700000000, -0.0006873600000000, -0.0000712900000000 ] - [ 0.0016214500000000, 0.0002688100000000, -0.0030098300000000 ] - [ 0.0000947400000000, -0.0001617400000000, -0.0010561700000000 ] - [ 0.0019873300000000, 0.0017164900000000, -0.0015648600000000 ] - [ 0.0004058500000000, -0.0008036600000000, -0.0008632800000000 ] - [ 0.0026729400000000, -0.0016361600000000, -0.0006476300000000 ] - [ 0.0005076100000000, 0.0007486900000000, -0.0002221900000000 ] - [ -0.0099063200000000, 0.0059022500000000, -0.0024274700000000 ] - [ -0.0003725300000000, -0.0008740000000000, -0.0001600600000000 ] - [ 0.0020539500000000, 0.0000795000000000, 0.0025225900000000 ] - [ 0.0004799800000000, 0.0005285900000000, 0.0002814800000000 ] - [ -0.0533243300000000, 0.0201851700000000, 0.0108381500000000 ] - [ -0.0017271200000000, -0.0009327600000000, 0.0002628200000000 ] - [ -0.0000194800000000, -0.0025636200000000, 0.0026083600000000 ] - [ -0.0003999400000000, 0.0008820700000000, 0.0008587400000000 ] - [ -0.0007693800000000, 0.0028792400000000, 0.0131600000000000 ] - [ 0.0012156000000000, -0.0014021200000000, 0.0002184400000000 ] - [ 0.0089788900000000, -0.0001321200000000, -0.0044452700000000 ] - [ -0.0002439100000000, -0.0004379400000000, -0.0001381400000000 ] - [ 0.0011284900000000, 0.0000447000000000, 0.0003806300000000 ] - [ 0.0003621700000000, -0.0000852500000000, 0.0002919300000000 ] - [ 0.0008199800000000, 0.0002754500000000, -0.0014349700000000 ] - [ 0.0001899500000000, -0.0002559000000000, -0.0005056000000000 ] - [ 0.0007588600000000, 0.0003185000000000, -0.0006874300000000 ] - [ 0.0006368100000000, -0.0002624900000000, -0.0006069100000000 ] - [ -0.0025469000000000, -0.0023009700000000, -0.0037986400000000 ] - [ -0.0001304900000000, 0.0003538700000000, -0.0000410900000000 ] - [ -0.0011550700000000, 0.0000749400000000, -0.0017716000000000 ] - [ -0.0001943700000000, -0.0000730900000000, -0.0005866500000000 ] - [ 0.2880297900000000, -0.0829794400000000, -0.0693752100000000 ] - [ 0.0005916400000000, 0.0005417600000000, 0.0000026700000000 ] - [ 0.0024803900000000, -0.0027935900000000, -0.0012755200000000 ] - [ 0.0002412000000000, 0.0013328300000000, -0.0008843200000000 ] - [ -0.0034492400000000, 0.0018483000000000, -0.0035591900000000 ] - [ -0.0002698600000000, -0.0003856500000000, -0.0004310100000000 ] - [ 0.0007918300000000, 0.0003678600000000, -0.0007977700000000 ] - [ 0.0006298500000000, 0.0000830500000000, -0.0001806400000000 ] - [ 0.0029345900000000, 0.0001040900000000, -0.0043522600000000 ] - [ 0.0004266500000000, 0.0009661200000000, -0.0003015000000000 ] - [ -0.0003228200000000, 0.0005275700000000, -0.0021845300000000 ] - [ 0.0000152500000000, 0.0004400800000000, -0.0006683500000000 ] - [ -0.0005559600000000, -0.0002303800000000, -0.0000172900000000 ] - [ -0.0003604200000000, 0.0001316400000000, 0.0000526900000000 ] - [ -0.0001960000000000, -0.0005154700000000, -0.0019728800000000 ] - [ 0.0000314800000000, -0.0002793700000000, -0.0005737300000000 ] - [ 0.0115456100000000, 0.0016318500000000, -0.0004783500000000 ] - [ 0.0025967900000000, 0.0014631900000000, -0.0007782400000000 ] - [ -0.0007935300000000, -0.0010488500000000, -0.0008444100000000 ] - [ -0.0005714600000000, 0.0004148700000000, -0.0010966500000000 ] - [ -0.0401570600000000, 0.0305945700000000, 0.0018596200000000 ] - [ 0.0011146900000000, -0.0001994600000000, 0.0001937100000000 ] - [ -0.0000832400000000, 0.0002615100000000, -0.0001929100000000 ] - [ 0.0000522900000000, 0.0002560800000000, -0.0002210800000000 ] - [ -0.0010366500000000, -0.0001344700000000, 0.0001702400000000 ] - [ -0.0008556400000000, 0.0004276800000000, 0.0002576200000000 ] - [ 0.0007385300000000, -0.0015584200000000, -0.0011389000000000 ] - [ 0.0002064900000000, 0.0005856500000000, -0.0004023000000000 ] - [ 0.0003885600000000, 0.0024540700000000, -0.0043271200000000 ] - [ 0.0001814300000000, -0.0000760500000000, -0.0001402100000000 ] - [ -0.0023211600000000, -0.0007679600000000, -0.0045309300000000 ] - [ -0.0005622100000000, 0.0002078700000000, -0.0006136800000000 ] - [ -0.0011126500000000, 0.0002184200000000, -0.0000747800000000 ] - [ -0.0005161200000000, -0.0000023300000000, 0.0000753000000000 ] - [ -0.0008032500000000, -0.0002321100000000, 0.0002611300000000 ] - [ -0.0000612200000000, -0.0000626300000000, 0.0000592100000000 ] - [ -0.0007909000000000, -0.0008779200000000, 0.0005171100000000 ] - [ -0.0006890000000000, 0.0008735500000000, 0.0006700100000000 ] - [ -0.0007431700000000, -0.0004127500000000, 0.0012767500000000 ] - [ 0.0000849600000000, 0.0002655500000000, 0.0003601900000000 ] - [ -0.0008168900000000, 0.0003512500000000, 0.0000894700000000 ] - [ -0.0008318700000000, 0.0003904900000000, 0.0000511500000000 ] - [ -0.0004497300000000, -0.0005119700000000, 0.0007345400000000 ] - [ -0.0003127700000000, -0.0000250500000000, 0.0005838300000000 ] - [ -0.0029690600000000, 0.0009660000000000, 0.0007501900000000 ] - [ -0.0000272900000000, 0.0001204900000000, 0.0000781000000000 ] - [ 0.0004594900000000, -0.0006824400000000, 0.0007682300000000 ] - [ -0.0000051600000000, 0.0002866900000000, 0.0000743500000000 ] - [ -0.0002071000000000, 0.0002017600000000, 0.0001861300000000 ] - [ -0.0002158100000000, -0.0000169100000000, 0.0003472700000000 ] - [ -0.0001577800000000, -0.0005367800000000, 0.0011253700000000 ] - [ -0.0001338000000000, 0.0001691600000000, 0.0005994900000000 ] - [ 0.0039527600000000, -0.0027314900000000, -0.0004194200000000 ] - [ 0.0005217400000000, 0.0009014300000000, 0.0005294200000000 ] - [ -0.0019211400000000, 0.0019560200000000, 0.0035047800000000 ] - [ 0.0001252600000000, 0.0002136800000000, 0.0005022100000000 ] - [ -0.0007067700000000, -0.0007338600000000, -0.0004987000000000 ] - [ -0.0002416100000000, -0.0003307000000000, -0.0004903100000000 ] - [ -0.0024405000000000, -0.0025543700000000, 0.0018707800000000 ] - [ -0.0002289300000000, 0.0001363200000000, 0.0000157700000000 ] - [ -0.0015025300000000, 0.0002589900000000, -0.0004705400000000 ] - [ -0.0005963000000000, -0.0002511500000000, -0.0002738700000000 ] - [ 0.0056767900000000, 0.0089344000000000, 0.0227659700000000 ] - [ 0.0006715100000000, 0.0004821500000000, 0.0000765700000000 ] - [ -0.0123870500000000, -0.0070725300000000, -0.0092929200000000 ] - [ -0.0001558900000000, 0.0010954700000000, -0.0000829100000000 ] - [ -0.0005671000000000, -0.0003116100000000, 0.0007868300000000 ] - [ -0.0000505800000000, 0.0001726500000000, 0.0004441800000000 ] - [ -0.0011403400000000, -0.0001906000000000, 0.0009212000000000 ] - [ -0.0004922100000000, -0.0000805300000000, 0.0002789500000000 ] - [ -0.0005806300000000, -0.0003817800000000, 0.0016435700000000 ] - [ -0.0001322700000000, 0.0002247500000000, 0.0007539800000000 ] - [ -0.0144492900000000, 0.0021452000000000, 0.0128245100000000 ] - [ 0.0000694600000000, 0.0002914100000000, 0.0001796200000000 ] - [ -0.0054655100000000, 0.0131308100000000, -0.0048102200000000 ] - [ 0.0013141200000000, 0.0003514700000000, -0.0001615800000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009177600000000, 0.0004319600000000, 0.0009977900000000 ] - [ -0.0004974800000000, -0.0003674100000000, -0.0000428700000000 ] - [ 0.0003168000000000, 0.0003253000000000, 0.0000064500000000 ] - [ 0.0001540200000000, -0.0003272700000000, -0.0000752000000000 ] - [ -0.0015470500000000, 0.0015895400000000, 0.0000306900000000 ] - [ 0.0014599200000000, -0.0017318800000000, 0.0000833900000000 ] - [ -0.0005548100000000, 0.0006916500000000, -0.0008016100000000 ] - [ -0.0001493000000000, -0.0004404000000000, 0.0000960300000000 ] - [ 0.0010330300000000, 0.0004798400000000, -0.0008897600000000 ] - [ -0.0002354400000000, -0.0004465100000000, 0.0000828500000000 ] - [ -0.0012004800000000, 0.0000753800000000, 0.0016345600000000 ] - [ 0.0005729700000000, -0.0015940000000000, -0.0015905800000000 ] - [ 0.0000481500000000, 0.0003704000000000, 0.0001528300000000 ] - [ 0.0003433400000000, -0.0003928100000000, -0.0000580400000000 ] - [ -0.0001641300000000, -0.0000224200000000, -0.0008080700000000 ] - [ -0.0001708100000000, -0.0003653100000000, 0.0006834200000000 ] - [ -0.0110738900000000, -0.0065732500000000, -0.0101812400000000 ] - [ -0.0023429300000000, -0.0123981300000000, 0.0087854700000000 ] - [ 0.0005116700000000, 0.0001461400000000, -0.0002318900000000 ] - [ -0.0003216300000000, -0.0002187700000000, 0.0000984600000000 ] - [ 0.0000865400000000, 0.0012360800000000, 0.0003747300000000 ] - [ 0.0004255500000000, -0.0011079300000000, 0.0006810900000000 ] - [ -0.0014339100000000, 0.0022361400000000, 0.0002174900000000 ] - [ 0.0002797700000000, -0.0014437000000000, 0.0004451800000000 ] - [ 0.0036410400000000, 0.0027804200000000, 0.0078371400000000 ] - [ -0.0009951300000000, -0.0017114800000000, -0.0006474100000000 ] - [ 0.0003119200000000, 0.0003581900000000, 0.0004244100000000 ] - [ 0.0003413500000000, -0.0002508700000000, -0.0006118300000000 ] - [ 0.0003242200000000, 0.0011243000000000, -0.0002284700000000 ] - [ 0.0001672600000000, -0.0007894000000000, -0.0000114500000000 ] - [ -0.0142789000000000, 0.0299520900000000, 0.0053732700000000 ] - [ -0.0003554600000000, -0.0048224200000000, 0.0006226200000000 ] - [ 0.0008997400000000, 0.0004666500000000, -0.0002993900000000 ] - [ 0.0003162100000000, -0.0003749100000000, -0.0004028200000000 ] - [ 0.0009247200000000, 0.0018502900000000, -0.0004461000000000 ] - [ 0.0002628000000000, -0.0012020500000000, -0.0003358900000000 ] - [ 0.0013197900000000, -0.0002230100000000, -0.0006509900000000 ] - [ -0.0002202000000000, -0.0001211200000000, -0.0001485000000000 ] - [ -0.0041351900000000, 0.0140099100000000, 0.0035749500000000 ] - [ -0.0004316300000000, -0.0047338600000000, -0.0004835700000000 ] - [ 0.0009379200000000, -0.0001539900000000, 0.0011206400000000 ] - [ -0.0003577900000000, 0.0000731700000000, -0.0001605800000000 ] - [ -0.0213765600000000, 0.0943031800000000, 0.0312612700000000 ] - [ -0.0018088800000000, -0.0045017800000000, 0.0010770100000000 ] - [ -0.0000528200000000, -0.0011196700000000, 0.0011328500000000 ] - [ 0.0001644200000000, -0.0007674700000000, -0.0004430100000000 ] - [ 0.0000084200000000, 0.0037999100000000, -0.0014733600000000 ] - [ 0.0012681700000000, -0.0032665700000000, -0.0003149100000000 ] - [ 0.0039574300000000, -0.0006363300000000, -0.0019106400000000 ] - [ -0.0003827200000000, -0.0008876800000000, 0.0002975400000000 ] - [ 0.0003541900000000, 0.0003545800000000, 0.0000876400000000 ] - [ -0.0004094900000000, -0.0002409800000000, 0.0001771500000000 ] - [ 0.0004376200000000, 0.0007248100000000, -0.0004727100000000 ] - [ 0.0004730500000000, -0.0006550900000000, -0.0006104700000000 ] - [ -0.0000605600000000, 0.0004643500000000, -0.0001258800000000 ] - [ 0.0008793400000000, -0.0003242100000000, -0.0003089500000000 ] - [ -0.0004285700000000, -0.0028695400000000, -0.0011674100000000 ] - [ -0.0000655100000000, 0.0010902700000000, 0.0001620800000000 ] - [ -0.0002359500000000, 0.0001015800000000, -0.0005094000000000 ] - [ 0.0002072300000000, 0.0005394200000000, 0.0001958100000000 ] - [ 0.0856519300000000, -0.1904963500000000, -0.0724757600000000 ] - [ -0.0004361700000000, 0.0031135100000000, 0.0002279700000000 ] - [ 0.0025498000000000, -0.0018325500000000, 0.0019871000000000 ] - [ -0.0009869600000000, 0.0029858600000000, -0.0008698700000000 ] - [ -0.0016954600000000, 0.0006237700000000, -0.0018122100000000 ] - [ 0.0003413200000000, 0.0004138400000000, 0.0002567100000000 ] - [ 0.0004269700000000, 0.0001560700000000, -0.0006670900000000 ] - [ 0.0001307700000000, 0.0003005500000000, 0.0004084100000000 ] - [ -0.0000058100000000, -0.0037520800000000, -0.0008724200000000 ] - [ 0.0008758800000000, 0.0023995200000000, -0.0002577100000000 ] - [ 0.0003781700000000, -0.0011393300000000, -0.0001693200000000 ] - [ 0.0000380000000000, 0.0008944200000000, -0.0004448900000000 ] - [ -0.0001789400000000, -0.0004927700000000, -0.0000563900000000 ] - [ -0.0003011300000000, 0.0004440600000000, 0.0002329900000000 ] - [ 0.0001161200000000, -0.0004240800000000, -0.0003452800000000 ] - [ 0.0001648800000000, 0.0002839300000000, -0.0000998300000000 ] - [ 0.0048080100000000, 0.0520336600000000, 0.0109530100000000 ] - [ 0.0018785800000000, 0.0047218000000000, -0.0016408400000000 ] - [ -0.0002065800000000, -0.0007327000000000, -0.0003567600000000 ] - [ -0.0003049900000000, 0.0003472100000000, -0.0005052700000000 ] - [ -0.0245534400000000, 0.0070360600000000, -0.0003380900000000 ] - [ 0.0007716900000000, 0.0011818900000000, 0.0001846000000000 ] - [ 0.0001330600000000, 0.0000919200000000, 0.0001825600000000 ] - [ 0.0003048400000000, 0.0002805800000000, -0.0000906600000000 ] - [ -0.0000307600000000, 0.0000541100000000, -0.0000625400000000 ] - [ -0.0007055400000000, 0.0003282000000000, 0.0000666200000000 ] - [ 0.0013065000000000, -0.0002715000000000, 0.0011214300000000 ] - [ -0.0000918400000000, 0.0004473500000000, -0.0003185500000000 ] - [ -0.0005506200000000, 0.0002202600000000, -0.0023246300000000 ] - [ 0.0001016100000000, 0.0006412900000000, 0.0000797400000000 ] - [ 0.0005743500000000, -0.0009508000000000, 0.0006348200000000 ] - [ -0.0004659900000000, 0.0007054800000000, -0.0002574700000000 ] - [ -0.0006018400000000, 0.0001396900000000, 0.0001544800000000 ] - [ -0.0000440500000000, 0.0001106700000000, -0.0000065600000000 ] - [ -0.0003023300000000, -0.0004927500000000, 0.0001853000000000 ] - [ 0.0002229300000000, 0.0003867700000000, -0.0001268400000000 ] - [ -0.0001523600000000, -0.0004367100000000, -0.0000222700000000 ] - [ -0.0006394400000000, 0.0005215300000000, 0.0005562700000000 ] - [ -0.0005499400000000, -0.0007756100000000, 0.0003458000000000 ] - [ -0.0000644400000000, 0.0005065000000000, 0.0003080500000000 ] - [ -0.0002856700000000, 0.0002566700000000, 0.0000667600000000 ] - [ -0.0002416900000000, 0.0002577100000000, 0.0000189800000000 ] - [ -0.0000170800000000, -0.0009051000000000, 0.0005770500000000 ] - [ -0.0003417000000000, 0.0001925300000000, 0.0004874000000000 ] - [ -0.0014477900000000, -0.0001277600000000, 0.0002336100000000 ] - [ 0.0000751600000000, 0.0004720400000000, -0.0001406100000000 ] - [ 0.0003696300000000, -0.0015497100000000, 0.0001386000000000 ] - [ -0.0000590500000000, 0.0009788700000000, 0.0007056400000000 ] - [ -0.0001269700000000, 0.0001800200000000, 0.0000246500000000 ] - [ 0.0000953800000000, 0.0001835500000000, 0.0001406900000000 ] - [ -0.0001790100000000, -0.0004048600000000, 0.0006366600000000 ] - [ 0.0001175300000000, 0.0002923300000000, -0.0001162600000000 ] - [ 0.0007360500000000, 0.0006484400000000, -0.0090906500000000 ] - [ -0.0001387700000000, 0.0051790700000000, 0.0040181300000000 ] - [ -0.0006057300000000, 0.0003381400000000, 0.0009637400000000 ] - [ 0.0002369200000000, 0.0004592500000000, 0.0001397000000000 ] - [ -0.0002427700000000, -0.0008876200000000, -0.0004209700000000 ] - [ 0.0001137200000000, 0.0000522700000000, -0.0004470200000000 ] - [ -0.0017749500000000, -0.0022964300000000, 0.0010605200000000 ] - [ -0.0002143100000000, 0.0005985000000000, -0.0002628400000000 ] - [ -0.0007852100000000, -0.0001612700000000, -0.0001665800000000 ] - [ 0.0000611300000000, 0.0000028400000000, -0.0001155800000000 ] - [ -0.0051011300000000, -0.0008100600000000, 0.0238064500000000 ] - [ 0.0003933800000000, 0.0021805900000000, -0.0009201100000000 ] - [ 0.0044926300000000, -0.0035143900000000, 0.0004932900000000 ] - [ -0.0002493900000000, 0.0023383000000000, 0.0004102400000000 ] - [ -0.0000855100000000, -0.0008646400000000, 0.0002971700000000 ] - [ -0.0000243400000000, 0.0005506700000000, 0.0004597000000000 ] - [ -0.0005857500000000, -0.0003772500000000, 0.0004842900000000 ] - [ -0.0003009700000000, 0.0002342400000000, 0.0001410100000000 ] - [ 0.0002959800000000, -0.0004071400000000, -0.0000306100000000 ] - [ -0.0004101700000000, 0.0001851800000000, 0.0004112900000000 ] - [ -0.0084676900000000, -0.0026765800000000, 0.0070077100000000 ] - [ 0.0000814300000000, 0.0009747400000000, -0.0002958900000000 ] - [ -0.0142931700000000, 0.0123161800000000, -0.0049329900000000 ] - [ 0.0029439800000000, 0.0040440900000000, -0.0008195900000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011721700000000, -0.0004405800000000, -0.0009096900000000 ] - [ 0.0002381000000000, 0.0003692600000000, 0.0001290900000000 ] - [ -0.0000231600000000, -0.0003531100000000, -0.0000748400000000 ] - [ 0.0001386500000000, 0.0002993700000000, 0.0000046400000000 ] - [ 0.0017453400000000, -0.0016324400000000, -0.0001079900000000 ] - [ -0.0011904400000000, 0.0017223300000000, -0.0001687700000000 ] - [ 0.0002556500000000, -0.0007212300000000, 0.0008620500000000 ] - [ -0.0001437200000000, 0.0004129200000000, -0.0000243600000000 ] - [ -0.0012861700000000, -0.0004819400000000, 0.0009690600000000 ] - [ -0.0000187300000000, 0.0004424200000000, 0.0000018900000000 ] - [ 0.0014842400000000, -0.0000881300000000, -0.0016982700000000 ] - [ -0.0002884500000000, 0.0015622900000000, 0.0015275900000000 ] - [ 0.0002183400000000, -0.0003714900000000, -0.0002385200000000 ] - [ -0.0000889400000000, 0.0003888900000000, -0.0000267700000000 ] - [ -0.0001281300000000, -0.0000011400000000, 0.0008758600000000 ] - [ -0.0001214600000000, 0.0003353600000000, -0.0006163600000000 ] - [ 0.0109780700000000, 0.0066956600000000, 0.0100992400000000 ] - [ 0.0022930800000000, 0.0125131200000000, -0.0088153800000000 ] - [ -0.0010268200000000, 0.0000428500000000, 0.0003861400000000 ] - [ -0.0002004800000000, 0.0004031900000000, 0.0000453500000000 ] - [ 0.0003650200000000, -0.0012281000000000, 0.0000069700000000 ] - [ 0.0000179900000000, 0.0011128200000000, -0.0003148800000000 ] - [ 0.0014316800000000, -0.0019569800000000, -0.0002105400000000 ] - [ -0.0002785400000000, 0.0017294600000000, -0.0004399500000000 ] - [ -0.0040872800000000, -0.0027551000000000, -0.0081612100000000 ] - [ 0.0005535300000000, 0.0017191500000000, 0.0002891200000000 ] - [ 0.0002107800000000, -0.0001688400000000, -0.0005775000000000 ] - [ 0.0001793200000000, 0.0004370300000000, 0.0004648800000000 ] - [ -0.0003208500000000, -0.0010289600000000, 0.0002252200000000 ] - [ -0.0001653900000000, 0.0008842700000000, 0.0000115400000000 ] - [ 0.0130025400000000, -0.0295792800000000, -0.0050865900000000 ] - [ -0.0001774900000000, 0.0049864400000000, -0.0004584000000000 ] - [ -0.0004395000000000, -0.0004691600000000, 0.0006482400000000 ] - [ 0.0001304500000000, 0.0003878700000000, 0.0007644700000000 ] - [ -0.0009105900000000, -0.0015498600000000, 0.0004424100000000 ] - [ -0.0002614700000000, 0.0014764800000000, 0.0003341700000000 ] - [ -0.0017514700000000, 0.0002109400000000, 0.0002889900000000 ] - [ -0.0002246000000000, 0.0001363400000000, -0.0002183100000000 ] - [ 0.0046279100000000, -0.0138478700000000, -0.0036786800000000 ] - [ 0.0009458100000000, 0.0048954900000000, 0.0003190800000000 ] - [ -0.0012037500000000, 0.0000835700000000, -0.0009831900000000 ] - [ 0.0000889200000000, -0.0001527900000000, 0.0002909600000000 ] - [ 0.0170376100000000, -0.0888530300000000, -0.0277200700000000 ] - [ 0.0010453800000000, 0.0046724400000000, -0.0009297100000000 ] - [ 0.0003237600000000, 0.0010468000000000, -0.0012554200000000 ] - [ 0.0001056300000000, 0.0006878000000000, 0.0003152100000000 ] - [ 0.0007581500000000, -0.0035936800000000, 0.0014161100000000 ] - [ -0.0004958500000000, 0.0034310600000000, 0.0001636100000000 ] - [ -0.0041383700000000, 0.0005640700000000, 0.0020062400000000 ] - [ 0.0001051800000000, 0.0008115300000000, -0.0001632700000000 ] - [ -0.0011247700000000, -0.0001853400000000, 0.0000645200000000 ] - [ -0.0003644900000000, 0.0004133400000000, -0.0000289400000000 ] - [ -0.0001629300000000, -0.0008010200000000, 0.0003396700000000 ] - [ -0.0001951700000000, 0.0005799500000000, 0.0004733400000000 ] - [ 0.0008347200000000, -0.0002962600000000, -0.0000257200000000 ] - [ -0.0001006300000000, 0.0004963600000000, 0.0001583100000000 ] - [ 0.0000958000000000, 0.0027805600000000, 0.0013723500000000 ] - [ -0.0002716200000000, -0.0011744600000000, 0.0000440300000000 ] - [ 0.0001966900000000, 0.0001001100000000, 0.0005257000000000 ] - [ -0.0002374400000000, -0.0003309500000000, -0.0001729000000000 ] - [ -0.0810708000000000, 0.1843588700000000, 0.0684266500000000 ] - [ 0.0003127900000000, -0.0027742000000000, -0.0002344500000000 ] - [ -0.0027040400000000, 0.0011411200000000, -0.0011043400000000 ] - [ 0.0008093700000000, -0.0036416100000000, 0.0017578400000000 ] - [ 0.0017192400000000, -0.0004150500000000, 0.0017786500000000 ] - [ -0.0003115600000000, -0.0002056700000000, -0.0002813600000000 ] - [ -0.0002459500000000, 0.0000202600000000, 0.0005530100000000 ] - [ 0.0000515100000000, -0.0001191100000000, -0.0005235200000000 ] - [ 0.0001374900000000, 0.0040894400000000, 0.0008439400000000 ] - [ -0.0007384900000000, -0.0020564800000000, 0.0002625600000000 ] - [ -0.0000455300000000, 0.0010617900000000, -0.0000488000000000 ] - [ 0.0002969100000000, -0.0009796400000000, 0.0002355200000000 ] - [ -0.0001911400000000, 0.0004394000000000, 0.0001273000000000 ] - [ -0.0000663400000000, -0.0004887600000000, -0.0001610400000000 ] - [ 0.0002616100000000, 0.0004580600000000, 0.0002808000000000 ] - [ 0.0002113400000000, -0.0002434700000000, 0.0000445300000000 ] - [ -0.0045947600000000, -0.0515138200000000, -0.0116514700000000 ] - [ -0.0016937800000000, -0.0053919100000000, 0.0007619300000000 ] - [ -0.0002349500000000, 0.0002443300000000, -0.0000344900000000 ] - [ -0.0001363500000000, -0.0008387100000000, 0.0001147700000000 ] - [ 0.0243440700000000, -0.0072199100000000, 0.0002812100000000 ] - [ -0.0006983000000000, -0.0014013200000000, -0.0002537700000000 ] - [ 0.0004982200000000, 0.0002028000000000, 0.0000269900000000 ] - [ 0.0003242900000000, 0.0000133500000000, 0.0003025100000000 ] - [ -0.0006049100000000, 0.0002381000000000, -0.0001455000000000 ] - [ 0.0000682400000000, -0.0000405100000000, -0.0002821000000000 ] - [ -0.0008657200000000, -0.0002159800000000, -0.0007370400000000 ] - [ 0.0005297300000000, -0.0009401400000000, 0.0007023400000000 ] - [ 0.0001767400000000, -0.0001897500000000, 0.0023729600000000 ] - [ -0.0004783300000000, -0.0005995400000000, -0.0000286500000000 ] - [ -0.0006668000000000, 0.0007224000000000, -0.0005963500000000 ] - [ 0.0003890700000000, -0.0009239600000000, 0.0003229100000000 ] - [ 0.0004196800000000, 0.0000382800000000, -0.0000335300000000 ] - [ -0.0001391800000000, 0.0000704400000000, 0.0001257900000000 ] - [ 0.0006654000000000, 0.0004473800000000, -0.0002554400000000 ] - [ 0.0001433800000000, -0.0004279700000000, 0.0000545500000000 ] - [ -0.0001875800000000, 0.0003426500000000, 0.0002343700000000 ] - [ 0.0003010200000000, -0.0005996300000000, -0.0003442000000000 ] - [ 0.0005067700000000, 0.0009787200000000, -0.0003210200000000 ] - [ 0.0000249300000000, -0.0003036500000000, -0.0002849200000000 ] - [ 0.0001633600000000, 0.0000763300000000, -0.0000722500000000 ] - [ 0.0001166200000000, 0.0000796800000000, -0.0000230100000000 ] - [ -0.0001680600000000, 0.0002481700000000, 0.0003081200000000 ] - [ 0.0001580000000000, -0.0008506900000000, 0.0003964900000000 ] - [ 0.0014501500000000, 0.0003476300000000, -0.0002564800000000 ] - [ -0.0000413300000000, -0.0002656800000000, 0.0001176500000000 ] - [ -0.0001860000000000, 0.0017297700000000, -0.0002531400000000 ] - [ 0.0002358600000000, -0.0007960000000000, -0.0008032300000000 ] - [ 0.0002549200000000, 0.0001538900000000, -0.0000199400000000 ] - [ 0.0000293100000000, 0.0001535700000000, -0.0001347500000000 ] - [ 0.0005118100000000, 0.0003145600000000, -0.0008440000000000 ] - [ 0.0002101800000000, -0.0003644400000000, -0.0000927900000000 ] - [ -0.0011075800000000, -0.0007167600000000, 0.0092481200000000 ] - [ -0.0002348800000000, -0.0051920100000000, -0.0038960500000000 ] - [ 0.0009634600000000, -0.0002793800000000, -0.0009942700000000 ] - [ 0.0001416900000000, -0.0004237100000000, -0.0001997600000000 ] - [ 0.0004250500000000, 0.0002299300000000, -0.0004606600000000 ] - [ 0.0000680400000000, -0.0007108400000000, -0.0004367900000000 ] - [ 0.0013150200000000, 0.0017858600000000, -0.0014375800000000 ] - [ -0.0002244600000000, -0.0010837700000000, -0.0001283700000000 ] - [ 0.0008602600000000, -0.0000554200000000, 0.0001026800000000 ] - [ 0.0000182800000000, -0.0002261400000000, 0.0000520500000000 ] - [ 0.0057439900000000, 0.0009663200000000, -0.0234963000000000 ] - [ 0.0002337400000000, -0.0018804600000000, 0.0011335500000000 ] - [ -0.0051714600000000, 0.0037453600000000, -0.0007650000000000 ] - [ -0.0003789200000000, -0.0020402900000000, -0.0006226400000000 ] - [ 0.0005208800000000, 0.0003718600000000, 0.0000930800000000 ] - [ 0.0004607700000000, -0.0010355700000000, -0.0000683700000000 ] - [ 0.0002062400000000, 0.0004187500000000, -0.0004282600000000 ] - [ -0.0000767500000000, -0.0001993700000000, -0.0000819700000000 ] - [ -0.0003772800000000, 0.0001871700000000, 0.0001087600000000 ] - [ 0.0003280700000000, -0.0004068600000000, -0.0003403800000000 ] - [ 0.0081340500000000, 0.0029169300000000, -0.0067971300000000 ] - [ -0.0002576800000000, -0.0007943900000000, 0.0004074000000000 ] - [ 0.0148845600000000, -0.0124441100000000, 0.0048943300000000 ] - [ -0.0025346300000000, -0.0040662500000000, 0.0007418900000000 ]- atom: 61 displacement: [ -0.0066066504307377, 0.0000000000000000, 0.0075068082489187 ] forces: - [ 0.0002740800000000, -0.0000220500000000, 0.0010925600000000 ] - [ -0.0001956200000000, 0.0001319200000000, 0.0002803100000000 ] - [ 0.0003459100000000, 0.0001231100000000, -0.0002488400000000 ] - [ 0.0002528700000000, -0.0001462100000000, -0.0000633300000000 ] - [ -0.0004849900000000, 0.0010036600000000, 0.0010541200000000 ] - [ 0.0002713700000000, -0.0013917200000000, 0.0000892100000000 ] - [ -0.0012139100000000, 0.0000923400000000, -0.0019137400000000 ] - [ -0.0002563900000000, -0.0001198600000000, -0.0000166800000000 ] - [ 0.0021442100000000, -0.0000005800000000, -0.0013937900000000 ] - [ -0.0000044100000000, -0.0000298900000000, -0.0001818100000000 ] - [ -0.0000557200000000, 0.0022101500000000, -0.0005315100000000 ] - [ 0.0000070600000000, -0.0018033200000000, -0.0007801900000000 ] - [ 0.0012630800000000, 0.0003207500000000, 0.0000820000000000 ] - [ 0.0003313300000000, -0.0002265800000000, 0.0000366900000000 ] - [ -0.0004725800000000, -0.0007198000000000, -0.0010338200000000 ] - [ -0.0001144000000000, 0.0003277100000000, -0.0002805200000000 ] - [ -0.0047900600000000, -0.0021417600000000, 0.0002764800000000 ] - [ -0.0095205400000000, -0.0021314600000000, 0.0094310900000000 ] - [ 0.0008876700000000, -0.0001613900000000, -0.0003625500000000 ] - [ 0.0004204100000000, 0.0002661800000000, -0.0001234100000000 ] - [ -0.0001907800000000, 0.0000302500000000, 0.0018829800000000 ] - [ 0.0000686900000000, -0.0003777300000000, 0.0007376400000000 ] - [ -0.0014586500000000, 0.0015645400000000, 0.0020757500000000 ] - [ -0.0004008800000000, -0.0005228400000000, 0.0006825700000000 ] - [ 0.0009702800000000, 0.0002779500000000, 0.0120792600000000 ] - [ -0.0008439500000000, -0.0001149500000000, 0.0002708300000000 ] - [ 0.0006340300000000, 0.0004152800000000, -0.0003663300000000 ] - [ 0.0004794200000000, -0.0003056100000000, -0.0005908700000000 ] - [ 0.0009741700000000, 0.0006260000000000, -0.0005960200000000 ] - [ 0.0004143600000000, -0.0002343500000000, -0.0001489500000000 ] - [ -0.1290411100000000, 0.0134407400000000, 0.0334432400000000 ] - [ -0.0008869400000000, -0.0008682300000000, 0.0004240900000000 ] - [ 0.0032357700000000, 0.0006517900000000, -0.0030928700000000 ] - [ 0.0005900600000000, -0.0004431800000000, -0.0008393000000000 ] - [ 0.0032223900000000, 0.0020308700000000, -0.0016254100000000 ] - [ 0.0006483600000000, -0.0007890700000000, -0.0008235200000000 ] - [ 0.0030286300000000, -0.0018000000000000, -0.0008029100000000 ] - [ 0.0004295400000000, 0.0005971000000000, -0.0003674000000000 ] - [ -0.0104806900000000, 0.0094683800000000, -0.0120237400000000 ] - [ -0.0002605600000000, -0.0011075000000000, -0.0003712600000000 ] - [ 0.0010963900000000, -0.0000549300000000, 0.0015495000000000 ] - [ 0.0000654800000000, 0.0002276200000000, 0.0001839500000000 ] - [ -0.0440178400000000, 0.0392002700000000, 0.0503968200000000 ] - [ -0.0011874200000000, -0.0008058700000000, 0.0005510100000000 ] - [ -0.0000003000000000, -0.0003565500000000, 0.0006497200000000 ] - [ -0.0002413100000000, -0.0003668000000000, 0.0001322000000000 ] - [ -0.0032531700000000, -0.0000667900000000, 0.0109694200000000 ] - [ 0.0005713300000000, -0.0007875000000000, 0.0003698700000000 ] - [ 0.0131548700000000, -0.0002329100000000, -0.0056230300000000 ] - [ -0.0001969700000000, -0.0004217000000000, -0.0000134900000000 ] - [ 0.0007793200000000, 0.0000865300000000, 0.0001019500000000 ] - [ 0.0000717700000000, -0.0000756700000000, 0.0000415400000000 ] - [ 0.0023366700000000, 0.0005099000000000, -0.0026156600000000 ] - [ 0.0003435900000000, -0.0002894800000000, -0.0005598300000000 ] - [ 0.0009315400000000, 0.0002382100000000, -0.0005775100000000 ] - [ 0.0008983200000000, -0.0000942600000000, -0.0004710700000000 ] - [ -0.0009089100000000, -0.0019064800000000, -0.0026487500000000 ] - [ -0.0000682800000000, 0.0002741700000000, -0.0000988700000000 ] - [ -0.0001715000000000, -0.0000651100000000, -0.0004953000000000 ] - [ 0.0002337000000000, 0.0003224000000000, -0.0000452000000000 ] - [ 0.2439085800000000, -0.1091146000000000, -0.1218415500000000 ] - [ 0.0003732700000000, 0.0005849600000000, -0.0001631100000000 ] - [ 0.0025426800000000, -0.0012054400000000, -0.0011972300000000 ] - [ 0.0008210700000000, 0.0003217300000000, -0.0010388300000000 ] - [ -0.0021080800000000, 0.0011267200000000, -0.0027700600000000 ] - [ -0.0000141100000000, -0.0001256200000000, -0.0003312400000000 ] - [ 0.0005417600000000, -0.0000212000000000, -0.0000821700000000 ] - [ 0.0004658800000000, 0.0003659400000000, 0.0002021600000000 ] - [ 0.0052562700000000, 0.0007668300000000, -0.0017714300000000 ] - [ 0.0005417900000000, 0.0008903100000000, -0.0002516300000000 ] - [ 0.0003990600000000, 0.0000529200000000, -0.0010448800000000 ] - [ 0.0002096700000000, 0.0002844000000000, -0.0004016300000000 ] - [ -0.0004683500000000, -0.0002168600000000, 0.0002757800000000 ] - [ -0.0003432800000000, 0.0002368200000000, 0.0002047100000000 ] - [ 0.0003684500000000, -0.0002865600000000, -0.0010904200000000 ] - [ 0.0002414100000000, -0.0001180500000000, -0.0003467100000000 ] - [ 0.0079745500000000, 0.0039859900000000, -0.0064995000000000 ] - [ 0.0019605700000000, 0.0011000100000000, -0.0016017000000000 ] - [ -0.0001487100000000, -0.0006851200000000, -0.0005065200000000 ] - [ -0.0002450600000000, 0.0003025100000000, -0.0007813400000000 ] - [ -0.0288766000000000, 0.0208568500000000, -0.0058750200000000 ] - [ 0.0006475100000000, -0.0000656500000000, -0.0000846700000000 ] - [ 0.0000425100000000, 0.0002399700000000, 0.0001095800000000 ] - [ 0.0001634200000000, 0.0001512600000000, 0.0001207300000000 ] - [ -0.0008223400000000, -0.0000247500000000, 0.0001547200000000 ] - [ -0.0007504800000000, 0.0003352500000000, 0.0001795200000000 ] - [ 0.0013405100000000, -0.0003740200000000, 0.0000281800000000 ] - [ 0.0004552700000000, -0.0002612300000000, -0.0002678000000000 ] - [ 0.0017058800000000, -0.0001576300000000, -0.0018326600000000 ] - [ 0.0001870100000000, 0.0003306300000000, -0.0002594700000000 ] - [ -0.0004298600000000, -0.0002200300000000, -0.0031065900000000 ] - [ -0.0000123900000000, 0.0000996700000000, -0.0002653900000000 ] - [ -0.0006253400000000, 0.0002030200000000, 0.0001424400000000 ] - [ -0.0002415000000000, 0.0000224300000000, 0.0001754300000000 ] - [ -0.0005849300000000, -0.0002741400000000, 0.0002669500000000 ] - [ -0.0000057600000000, -0.0000022400000000, 0.0000690500000000 ] - [ -0.0008804600000000, -0.0008112300000000, 0.0004169000000000 ] - [ -0.0007919000000000, 0.0008409800000000, 0.0006276600000000 ] - [ -0.0020292700000000, -0.0009386500000000, 0.0016540700000000 ] - [ -0.0000919600000000, 0.0002836100000000, 0.0003215100000000 ] - [ -0.0006063300000000, 0.0003036400000000, 0.0001660300000000 ] - [ -0.0006343900000000, 0.0003622700000000, 0.0001383600000000 ] - [ -0.0005097600000000, -0.0004629300000000, 0.0008921900000000 ] - [ -0.0003589500000000, -0.0000446900000000, 0.0005799500000000 ] - [ -0.0042923900000000, 0.0011695000000000, 0.0000031200000000 ] - [ -0.0000660600000000, 0.0001487100000000, 0.0000152200000000 ] - [ -0.0004403600000000, -0.0011144700000000, 0.0027817700000000 ] - [ -0.0000891900000000, 0.0002988500000000, 0.0002123400000000 ] - [ -0.0003788700000000, 0.0000822800000000, 0.0002911200000000 ] - [ -0.0002578200000000, 0.0000274500000000, 0.0003964300000000 ] - [ -0.0006889200000000, -0.0003916400000000, 0.0013093600000000 ] - [ -0.0005181600000000, 0.0002003500000000, 0.0006324400000000 ] - [ 0.0038853000000000, -0.0074775800000000, 0.0024578000000000 ] - [ 0.0004018900000000, 0.0011915400000000, 0.0002420300000000 ] - [ -0.0030688300000000, 0.0025187300000000, 0.0043801300000000 ] - [ -0.0000879600000000, 0.0002077200000000, 0.0004990500000000 ] - [ -0.0004872000000000, -0.0006516800000000, -0.0003475200000000 ] - [ -0.0001304300000000, -0.0002809800000000, -0.0004033100000000 ] - [ -0.0037369000000000, -0.0033629900000000, 0.0024115400000000 ] - [ -0.0003591700000000, 0.0001492500000000, -0.0000255700000000 ] - [ -0.0012546400000000, 0.0002284100000000, -0.0004011100000000 ] - [ -0.0003397500000000, -0.0002154000000000, -0.0001645000000000 ] - [ -0.0079937400000000, 0.0233005800000000, 0.0432268400000000 ] - [ 0.0005014100000000, 0.0004063300000000, -0.0001727900000000 ] - [ -0.0066220200000000, -0.0049335000000000, -0.0105700500000000 ] - [ -0.0001181400000000, 0.0008918800000000, -0.0002907100000000 ] - [ -0.0011744900000000, -0.0000497600000000, 0.0011932500000000 ] - [ -0.0001400000000000, 0.0001907600000000, 0.0004958100000000 ] - [ -0.0015307700000000, -0.0005052000000000, 0.0015717900000000 ] - [ -0.0005216200000000, -0.0000225200000000, 0.0003930400000000 ] - [ -0.0009151200000000, -0.0004261600000000, 0.0012854300000000 ] - [ -0.0003855100000000, 0.0002067500000000, 0.0005067300000000 ] - [ -0.0246541700000000, 0.0034949300000000, 0.0160939500000000 ] - [ -0.0000076900000000, 0.0003048900000000, -0.0000674200000000 ] - [ -0.0049449800000000, 0.0116009600000000, -0.0078455100000000 ] - [ 0.0011901900000000, 0.0007182700000000, -0.0005824000000000 ]- atom: 61 displacement: [ 0.0066066504307377, 0.0000000000000000, -0.0075068082489187 ] forces: - [ -0.0005306000000000, 0.0000173800000000, -0.0010098600000000 ] - [ -0.0000576000000000, -0.0001336500000000, -0.0001929400000000 ] - [ -0.0000571900000000, -0.0001522600000000, 0.0001807100000000 ] - [ 0.0000386200000000, 0.0001185700000000, -0.0000044100000000 ] - [ 0.0006815100000000, -0.0010549400000000, -0.0011359300000000 ] - [ -0.0000269500000000, 0.0013959000000000, -0.0001749600000000 ] - [ 0.0009358800000000, -0.0001225200000000, 0.0019984300000000 ] - [ -0.0000357100000000, 0.0000928700000000, 0.0000851900000000 ] - [ -0.0024017100000000, -0.0000043500000000, 0.0014898500000000 ] - [ -0.0002533300000000, 0.0000289400000000, 0.0002709400000000 ] - [ 0.0003558800000000, -0.0022605200000000, 0.0004554100000000 ] - [ 0.0002876800000000, 0.0017937400000000, 0.0007125500000000 ] - [ -0.0010057600000000, -0.0003263700000000, -0.0001731500000000 ] - [ -0.0000754300000000, 0.0002257700000000, -0.0001245400000000 ] - [ 0.0001743400000000, 0.0006876200000000, 0.0011043600000000 ] - [ -0.0001806700000000, -0.0003548100000000, 0.0003524600000000 ] - [ 0.0048661600000000, 0.0022653100000000, -0.0001886900000000 ] - [ 0.0095865600000000, 0.0021948700000000, -0.0094312000000000 ] - [ -0.0014164800000000, 0.0003527200000000, 0.0005212300000000 ] - [ -0.0009477500000000, -0.0000725800000000, 0.0002812600000000 ] - [ 0.0006405500000000, -0.0000218700000000, -0.0015108700000000 ] - [ 0.0003775500000000, 0.0003895500000000, -0.0003750900000000 ] - [ 0.0014605700000000, -0.0012937800000000, -0.0020852600000000 ] - [ 0.0003976000000000, 0.0008126500000000, -0.0006826300000000 ] - [ -0.0014663800000000, -0.0002486200000000, -0.0124910100000000 ] - [ 0.0003977400000000, 0.0001266200000000, -0.0006371200000000 ] - [ -0.0001055500000000, -0.0002296800000000, 0.0002099700000000 ] - [ 0.0000480900000000, 0.0004968700000000, 0.0004377900000000 ] - [ -0.0009753400000000, -0.0005390100000000, 0.0005998500000000 ] - [ -0.0004145200000000, 0.0003292200000000, 0.0001488000000000 ] - [ 0.1350510200000000, -0.0142984300000000, -0.0333885500000000 ] - [ 0.0003688800000000, 0.0010840000000000, -0.0002838800000000 ] - [ -0.0028054000000000, -0.0006384000000000, 0.0034769600000000 ] - [ -0.0001441600000000, 0.0004412700000000, 0.0012108400000000 ] - [ -0.0032398800000000, -0.0017686000000000, 0.0016216000000000 ] - [ -0.0006517600000000, 0.0010860800000000, 0.0008261900000000 ] - [ -0.0034932800000000, 0.0018242300000000, 0.0004325100000000 ] - [ -0.0008769500000000, -0.0005981100000000, -0.0000018700000000 ] - [ 0.0109716500000000, -0.0092685800000000, 0.0119113500000000 ] - [ 0.0007843500000000, 0.0013160100000000, 0.0002263200000000 ] - [ -0.0013761600000000, -0.0000184800000000, -0.0014204300000000 ] - [ -0.0003403600000000, -0.0003051700000000, -0.0000510600000000 ] - [ 0.0416258500000000, -0.0354171100000000, -0.0489058500000000 ] - [ 0.0004070200000000, 0.0009822400000000, -0.0004000000000000 ] - [ 0.0002760900000000, 0.0002868500000000, -0.0007886600000000 ] - [ 0.0005163300000000, 0.0002906600000000, -0.0002659900000000 ] - [ 0.0040451400000000, 0.0002357700000000, -0.0111250800000000 ] - [ 0.0002027000000000, 0.0009678100000000, -0.0005165000000000 ] - [ -0.0135335700000000, 0.0001599500000000, 0.0057758000000000 ] - [ -0.0000676200000000, 0.0003473800000000, 0.0001372800000000 ] - [ -0.0015596000000000, 0.0000829900000000, 0.0000445500000000 ] - [ -0.0008452100000000, 0.0002458400000000, 0.0001046500000000 ] - [ -0.0020793500000000, -0.0005853500000000, 0.0024899000000000 ] - [ -0.0000813300000000, 0.0002149700000000, 0.0004350100000000 ] - [ -0.0001547800000000, -0.0000654400000000, 0.0004335100000000 ] - [ -0.0001257000000000, 0.0002659800000000, 0.0003238700000000 ] - [ 0.0005802800000000, 0.0018258400000000, 0.0028666700000000 ] - [ -0.0002669800000000, -0.0003641700000000, 0.0003025100000000 ] - [ 0.0001285000000000, 0.0002630700000000, 0.0005216300000000 ] - [ -0.0002715300000000, -0.0001181900000000, 0.0000691200000000 ] - [ -0.2491101400000000, 0.1067898400000000, 0.1202547200000000 ] - [ -0.0004872300000000, -0.0002568200000000, 0.0001583600000000 ] - [ -0.0027414900000000, 0.0005575300000000, 0.0020703400000000 ] - [ -0.0010094700000000, -0.0009933200000000, 0.0019259200000000 ] - [ 0.0021384400000000, -0.0009138900000000, 0.0027493000000000 ] - [ 0.0000456400000000, 0.0003337000000000, 0.0003072400000000 ] - [ -0.0003702800000000, 0.0002025600000000, -0.0000349800000000 ] - [ -0.0002951500000000, -0.0001889000000000, -0.0003263500000000 ] - [ -0.0051373900000000, -0.0004273400000000, 0.0017657700000000 ] - [ -0.0004103900000000, -0.0005577600000000, 0.0002510600000000 ] - [ -0.0000706800000000, -0.0001230400000000, 0.0008412300000000 ] - [ 0.0001239200000000, -0.0003716100000000, 0.0002005200000000 ] - [ 0.0001052800000000, 0.0001770400000000, -0.0002046200000000 ] - [ -0.0000180200000000, -0.0002786100000000, -0.0001331100000000 ] - [ 0.0000184500000000, 0.0003235000000000, 0.0010289400000000 ] - [ 0.0001384800000000, 0.0001559400000000, 0.0002915300000000 ] - [ -0.0078159600000000, -0.0050581400000000, 0.0055085800000000 ] - [ -0.0017814600000000, -0.0017594100000000, 0.0007210900000000 ] - [ -0.0002846000000000, 0.0001952500000000, 0.0001250300000000 ] - [ -0.0001846700000000, -0.0007937900000000, 0.0003992600000000 ] - [ 0.0287444000000000, -0.0208346900000000, 0.0057155700000000 ] - [ -0.0005567500000000, -0.0001586000000000, 0.0000172400000000 ] - [ 0.0006003700000000, 0.0000420400000000, 0.0001040100000000 ] - [ 0.0004750600000000, 0.0001352500000000, 0.0000932200000000 ] - [ 0.0001891500000000, 0.0003191100000000, -0.0003650000000000 ] - [ 0.0001166200000000, -0.0000435100000000, -0.0003888200000000 ] - [ -0.0009136500000000, -0.0001142500000000, 0.0003596700000000 ] - [ -0.0000239700000000, -0.0002310800000000, 0.0006555400000000 ] - [ -0.0020825800000000, 0.0001910800000000, 0.0018974500000000 ] - [ -0.0005666600000000, -0.0002947800000000, 0.0003154500000000 ] - [ 0.0003410400000000, 0.0000023500000000, 0.0031855300000000 ] - [ -0.0000765300000000, -0.0003230600000000, 0.0003383100000000 ] - [ 0.0004557000000000, -0.0000231200000000, -0.0000317700000000 ] - [ 0.0000694400000000, 0.0001564800000000, -0.0000688500000000 ] - [ 0.0009490900000000, 0.0002266800000000, -0.0003365000000000 ] - [ 0.0003685100000000, -0.0000526300000000, -0.0001360700000000 ] - [ 0.0005491600000000, 0.0007403400000000, -0.0002063700000000 ] - [ 0.0004554300000000, -0.0009428100000000, -0.0004269600000000 ] - [ 0.0020017200000000, 0.0011419400000000, -0.0016383100000000 ] - [ 0.0000663500000000, -0.0000711900000000, -0.0002997400000000 ] - [ 0.0004808400000000, 0.0000366000000000, -0.0001684100000000 ] - [ 0.0005079400000000, -0.0000251900000000, -0.0001389600000000 ] - [ 0.0003184700000000, -0.0001921500000000, -0.0000172700000000 ] - [ 0.0001688800000000, -0.0006127500000000, 0.0002984200000000 ] - [ 0.0043567800000000, -0.0009659400000000, -0.0000159000000000 ] - [ 0.0000972300000000, 0.0000549000000000, -0.0000367700000000 ] - [ 0.0006264700000000, 0.0012895900000000, -0.0029099300000000 ] - [ 0.0002677200000000, -0.0001230700000000, -0.0003266400000000 ] - [ 0.0004966200000000, 0.0002554000000000, -0.0002892100000000 ] - [ 0.0003704100000000, 0.0003090600000000, -0.0003945400000000 ] - [ 0.0010269700000000, 0.0003139500000000, -0.0015185700000000 ] - [ 0.0008571500000000, -0.0002935100000000, -0.0008367500000000 ] - [ -0.0042380500000000, 0.0074103300000000, -0.0023828400000000 ] - [ -0.0007682300000000, -0.0012768500000000, -0.0002067900000000 ] - [ 0.0034747200000000, -0.0025060100000000, -0.0044723200000000 ] - [ 0.0004590600000000, -0.0001666400000000, -0.0005467400000000 ] - [ 0.0006798300000000, -0.0000028400000000, -0.0005305800000000 ] - [ 0.0003213300000000, -0.0003769100000000, -0.0004761300000000 ] - [ 0.0033351800000000, 0.0029028300000000, -0.0028169700000000 ] - [ -0.0000727100000000, -0.0006447100000000, -0.0003542000000000 ] - [ 0.0013509200000000, -0.0004525100000000, 0.0003452100000000 ] - [ 0.0004268500000000, -0.0000045900000000, 0.0000931100000000 ] - [ 0.0085199600000000, -0.0224898800000000, -0.0423399100000000 ] - [ 0.0001310000000000, -0.0001151900000000, 0.0003747800000000 ] - [ 0.0060410800000000, 0.0052924600000000, 0.0104730200000000 ] - [ -0.0005274600000000, -0.0006174600000000, 0.0000739400000000 ] - [ 0.0016150700000000, -0.0004383500000000, -0.0008093200000000 ] - [ 0.0005719300000000, -0.0006841000000000, -0.0001136700000000 ] - [ 0.0011669400000000, 0.0005426900000000, -0.0015265000000000 ] - [ 0.0001419300000000, 0.0000619500000000, -0.0003363200000000 ] - [ 0.0008302700000000, 0.0002044500000000, -0.0012203800000000 ] - [ 0.0002964700000000, -0.0004277500000000, -0.0004472800000000 ] - [ 0.0249496100000000, -0.0033866000000000, -0.0164326000000000 ] - [ -0.0001777800000000, -0.0001280300000000, 0.0002046600000000 ] - [ 0.0053887500000000, -0.0118295700000000, 0.0079095700000000 ] - [ -0.0008492600000000, -0.0007804300000000, 0.0005157800000000 ]- atom: 63 displacement: [ 0.0099999989202427, 0.0000000000000000, 0.0000046470576681 ] forces: - [ -0.0000113300000000, 0.0015332200000000, 0.0002236500000000 ] - [ 0.0008026600000000, -0.0015721500000000, -0.0000254900000000 ] - [ 0.0005028300000000, 0.0001030600000000, -0.0001362800000000 ] - [ 0.0004663600000000, -0.0000189100000000, 0.0002399600000000 ] - [ -0.0001099100000000, -0.0002152700000000, -0.0003727300000000 ] - [ -0.0013370400000000, 0.0004858300000000, -0.0009075500000000 ] - [ -0.0005239100000000, 0.0000207900000000, -0.0001353600000000 ] - [ -0.0004271400000000, -0.0000646900000000, -0.0002101300000000 ] - [ -0.0010171700000000, -0.0001328500000000, 0.0001317300000000 ] - [ -0.0005609800000000, 0.0001999300000000, -0.0000210000000000 ] - [ 0.0007426700000000, -0.0003677700000000, -0.0006287800000000 ] - [ 0.0001154900000000, 0.0002653000000000, -0.0001126600000000 ] - [ -0.0011379100000000, 0.0000420200000000, 0.0016517100000000 ] - [ 0.0002126000000000, -0.0000376100000000, 0.0002156400000000 ] - [ 0.0019537500000000, -0.0008265000000000, 0.0004329300000000 ] - [ 0.0000692900000000, 0.0002920300000000, 0.0002519700000000 ] - [ 0.0763697400000000, -0.0572968000000000, 0.0679127800000000 ] - [ 0.0016825000000000, 0.0014772200000000, -0.0006214700000000 ] - [ -0.0007632700000000, -0.0001641600000000, -0.0000868100000000 ] - [ -0.0005028000000000, 0.0002373000000000, 0.0000477100000000 ] - [ -0.0044191800000000, 0.0004667400000000, -0.0138248000000000 ] - [ 0.0009638400000000, -0.0002940300000000, 0.0003365800000000 ] - [ 0.0003251800000000, 0.0018831900000000, -0.0027642800000000 ] - [ -0.0006298100000000, -0.0008347300000000, -0.0015408400000000 ] - [ -0.0024047000000000, -0.0008570700000000, -0.0037890300000000 ] - [ -0.0007305700000000, 0.0001856500000000, -0.0012828700000000 ] - [ -0.0013116600000000, -0.0003429600000000, -0.0000708100000000 ] - [ -0.0002264700000000, 0.0004108300000000, -0.0001402900000000 ] - [ -0.0009456500000000, 0.0003641500000000, 0.0002436400000000 ] - [ -0.0004738900000000, 0.0000397300000000, -0.0000235100000000 ] - [ 0.0061228300000000, 0.0020443400000000, 0.0017430800000000 ] - [ 0.0006323400000000, 0.0019606700000000, -0.0009275700000000 ] - [ -0.0005390900000000, -0.0000817900000000, 0.0004209800000000 ] - [ -0.0011382300000000, -0.0002084900000000, 0.0005349100000000 ] - [ -0.0007048200000000, -0.0004181200000000, 0.0014393900000000 ] - [ -0.0003533500000000, 0.0009014600000000, 0.0005154100000000 ] - [ -0.0004929400000000, 0.0007130500000000, 0.0008472100000000 ] - [ -0.0002127900000000, -0.0007145400000000, 0.0017012000000000 ] - [ 0.0067234200000000, -0.0063475100000000, 0.0018401700000000 ] - [ 0.0038600600000000, 0.0092552700000000, 0.0033940200000000 ] - [ -0.0000040500000000, -0.0019816400000000, -0.0025742900000000 ] - [ -0.0000939500000000, 0.0005890200000000, -0.0004266900000000 ] - [ -0.0038533500000000, -0.0072781800000000, -0.0024494800000000 ] - [ -0.0009632600000000, 0.0013528200000000, -0.0016088900000000 ] - [ -0.0019082900000000, -0.0000525300000000, -0.0027908700000000 ] - [ -0.0001299800000000, 0.0006446100000000, -0.0001258900000000 ] - [ 0.0492730500000000, -0.0216931100000000, -0.0088884500000000 ] - [ 0.0017367900000000, 0.0014462500000000, -0.0001977700000000 ] - [ -0.0005251700000000, -0.0001453700000000, 0.0011119400000000 ] - [ 0.0003204200000000, 0.0001276400000000, 0.0000866900000000 ] - [ -0.0006682800000000, 0.0004229000000000, 0.0002562500000000 ] - [ -0.0008148800000000, -0.0002273500000000, 0.0006286400000000 ] - [ -0.0000064600000000, -0.0004850100000000, 0.0006428400000000 ] - [ -0.0008771300000000, 0.0000932400000000, 0.0013752900000000 ] - [ -0.0001728900000000, 0.0001782900000000, -0.0001488400000000 ] - [ -0.0007175900000000, -0.0001434100000000, -0.0003089200000000 ] - [ 0.0002491300000000, 0.0005373600000000, 0.0016427800000000 ] - [ 0.0000871200000000, 0.0002788000000000, 0.0008660700000000 ] - [ 0.0028968500000000, 0.0013000000000000, 0.0031232200000000 ] - [ 0.0000029500000000, -0.0001536600000000, 0.0000974300000000 ] - [ -0.0026466900000000, 0.0027858400000000, 0.0012254700000000 ] - [ -0.0003929400000000, -0.0007302300000000, 0.0009057300000000 ] - [ -0.1699188800000000, 0.1361958500000000, -0.0608374000000000 ] - [ -0.0005833700000000, -0.0010311800000000, 0.0004726900000000 ] - [ 0.0010312700000000, 0.0002169300000000, 0.0015363900000000 ] - [ 0.0002554300000000, -0.0001486500000000, 0.0003693600000000 ] - [ 0.0010167200000000, 0.0002642900000000, 0.0003609800000000 ] - [ 0.0002755700000000, -0.0000675100000000, -0.0000312100000000 ] - [ -0.0114413700000000, -0.0044058200000000, 0.0003905100000000 ] - [ -0.0024339500000000, -0.0016085100000000, 0.0002791200000000 ] - [ 0.0016115600000000, -0.0032735600000000, 0.0036396500000000 ] - [ 0.0002217000000000, 0.0005867200000000, 0.0004232800000000 ] - [ 0.0006458500000000, -0.0000223300000000, -0.0001087200000000 ] - [ -0.0000051100000000, -0.0001343200000000, -0.0000130100000000 ] - [ -0.0000165400000000, 0.0009485200000000, 0.0039138900000000 ] - [ -0.0000810600000000, -0.0001232000000000, 0.0000149100000000 ] - [ 0.0057003100000000, 0.0017419500000000, 0.0087379500000000 ] - [ -0.0004389900000000, -0.0013470000000000, 0.0000393700000000 ] - [ -0.0005350300000000, -0.0010757900000000, 0.0004312300000000 ] - [ -0.0001114300000000, 0.0005426300000000, 0.0008579400000000 ] - [ 0.0027989400000000, 0.0012585300000000, 0.0016879500000000 ] - [ 0.0006566300000000, -0.0004376400000000, 0.0007388900000000 ] - [ 0.0006447700000000, -0.0001486900000000, 0.0000855200000000 ] - [ 0.0010250200000000, 0.0003264800000000, -0.0001744400000000 ] - [ -0.0001296200000000, 0.0001180700000000, -0.0000028900000000 ] - [ 0.0001087300000000, 0.0003312300000000, 0.0001841900000000 ] - [ 0.0006385700000000, -0.0010432800000000, 0.0006161200000000 ] - [ 0.0007947500000000, 0.0002625900000000, 0.0013273500000000 ] - [ 0.0004786800000000, -0.0001695100000000, 0.0019168200000000 ] - [ -0.0000890400000000, -0.0003643600000000, 0.0005180000000000 ] - [ 0.0423335000000000, -0.0312129400000000, 0.0079937200000000 ] - [ -0.0011329000000000, -0.0002327000000000, -0.0001990400000000 ] - [ -0.0008357500000000, 0.0004465900000000, 0.0004329800000000 ] - [ -0.0002445800000000, -0.0000689000000000, 0.0001536800000000 ] - [ 0.0005274100000000, 0.0000839100000000, -0.0000717100000000 ] - [ 0.0003468600000000, -0.0001020600000000, -0.0000133700000000 ] - [ -0.0001082800000000, 0.0002235300000000, -0.0007976700000000 ] - [ -0.0001888300000000, -0.0005930900000000, -0.0003290600000000 ] - [ 0.0003416000000000, 0.0004469100000000, -0.0004564000000000 ] - [ 0.0007610200000000, -0.0000204500000000, -0.0006525500000000 ] - [ 0.0002953800000000, 0.0002416200000000, -0.0002434800000000 ] - [ 0.0001504500000000, -0.0000791800000000, -0.0001619200000000 ] - [ 0.0003408200000000, -0.0005614500000000, 0.0004484900000000 ] - [ 0.0003385000000000, -0.0004304400000000, 0.0005303200000000 ] - [ 0.0003260000000000, -0.0002095900000000, -0.0008098400000000 ] - [ -0.0003289100000000, 0.0002161300000000, -0.0003414100000000 ] - [ -0.0007429400000000, 0.0007400600000000, -0.0003925900000000 ] - [ 0.0004934600000000, -0.0009081800000000, -0.0018810600000000 ] - [ 0.0008656600000000, 0.0005001700000000, -0.0000651400000000 ] - [ 0.0003954000000000, 0.0001460600000000, 0.0000009000000000 ] - [ 0.0007520400000000, 0.0002915400000000, -0.0007874600000000 ] - [ 0.0003600900000000, -0.0002793300000000, -0.0002076300000000 ] - [ -0.0015676500000000, 0.0002000200000000, 0.0000907900000000 ] - [ 0.0068500900000000, -0.0154261600000000, -0.0008680100000000 ] - [ 0.0005034200000000, -0.0001982100000000, -0.0004745600000000 ] - [ 0.0004333800000000, -0.0000285500000000, -0.0002036500000000 ] - [ 0.0003669600000000, -0.0005047300000000, -0.0005043400000000 ] - [ 0.0003701100000000, -0.0000334500000000, -0.0006155100000000 ] - [ 0.0000640300000000, 0.0002134400000000, -0.0006282900000000 ] - [ -0.0001730600000000, -0.0005017900000000, -0.0002541700000000 ] - [ 0.0002557900000000, -0.0004823800000000, -0.0005539000000000 ] - [ 0.0003512000000000, 0.0002735400000000, -0.0011773600000000 ] - [ 0.0050218500000000, 0.0078797800000000, 0.0008361300000000 ] - [ 0.0004620500000000, -0.0021135500000000, 0.0009781500000000 ] - [ -0.0067400300000000, -0.0102418400000000, -0.0138964200000000 ] - [ -0.0008736100000000, -0.0004513100000000, -0.0002502200000000 ] - [ 0.0005253800000000, 0.0000990200000000, -0.0003401700000000 ] - [ 0.0005747600000000, -0.0008729300000000, -0.0003481600000000 ] - [ -0.0000348100000000, 0.0002254900000000, -0.0005655300000000 ] - [ 0.0002760000000000, 0.0002607400000000, -0.0011109000000000 ] - [ 0.0004634500000000, -0.0000559600000000, 0.0001030600000000 ] - [ 0.0010074000000000, -0.0000419400000000, 0.0001973900000000 ] - [ -0.0006178200000000, -0.0002521600000000, -0.0011564000000000 ] - [ -0.0003383100000000, -0.0001245800000000, 0.0005518600000000 ] - [ -0.0011343100000000, -0.0018329600000000, 0.0002272100000000 ] - [ -0.0045747400000000, -0.0009723000000000, 0.0014941000000000 ]- atom: 63 displacement: [ -0.0099999989202427, 0.0000000000000000, -0.0000046470576681 ] forces: - [ -0.0002384000000000, -0.0015454900000000, -0.0001374200000000 ] - [ -0.0009663400000000, 0.0016531600000000, 0.0001011100000000 ] - [ -0.0002125800000000, -0.0001303100000000, 0.0000703000000000 ] - [ -0.0001782800000000, -0.0000072700000000, -0.0003114400000000 ] - [ 0.0003668200000000, 0.0002120100000000, 0.0002902800000000 ] - [ 0.0016049500000000, -0.0004918000000000, 0.0008328300000000 ] - [ 0.0002323000000000, -0.0000467700000000, 0.0002043700000000 ] - [ 0.0001356300000000, 0.0000380000000000, 0.0002794100000000 ] - [ 0.0007651000000000, 0.0001306900000000, -0.0000485400000000 ] - [ 0.0003074900000000, -0.0002061600000000, 0.0001045800000000 ] - [ -0.0004581400000000, 0.0003436500000000, 0.0005587300000000 ] - [ 0.0001739800000000, -0.0002938100000000, 0.0000423500000000 ] - [ 0.0014044800000000, -0.0000425300000000, -0.0017387000000000 ] - [ 0.0000442800000000, 0.0000319400000000, -0.0002992700000000 ] - [ -0.0022932700000000, 0.0008239800000000, -0.0003038200000000 ] - [ -0.0003620000000000, -0.0003240000000000, -0.0001827300000000 ] - [ -0.0775844900000000, 0.0596812600000000, -0.0704720200000000 ] - [ -0.0017021500000000, -0.0014114300000000, 0.0006236200000000 ] - [ 0.0002363000000000, 0.0003533100000000, 0.0002429000000000 ] - [ -0.0000195300000000, -0.0000532700000000, 0.0001069400000000 ] - [ 0.0048988900000000, -0.0004735400000000, 0.0142541700000000 ] - [ -0.0005223000000000, 0.0002961000000000, 0.0000285400000000 ] - [ -0.0003226100000000, -0.0016039600000000, 0.0027705100000000 ] - [ 0.0006335900000000, 0.0011237700000000, 0.0015446300000000 ] - [ 0.0019737900000000, 0.0008754200000000, 0.0034313600000000 ] - [ 0.0002882000000000, -0.0001820700000000, 0.0009218200000000 ] - [ 0.0018418900000000, 0.0005340600000000, -0.0000853700000000 ] - [ 0.0007533900000000, -0.0002272100000000, -0.0000122600000000 ] - [ 0.0009473300000000, -0.0002696500000000, -0.0002414800000000 ] - [ 0.0004756300000000, 0.0000511100000000, 0.0000234700000000 ] - [ -0.0067373400000000, -0.0019107000000000, -0.0016406100000000 ] - [ -0.0011803000000000, -0.0017413800000000, 0.0010941100000000 ] - [ 0.0009851100000000, 0.0000864700000000, -0.0000641700000000 ] - [ 0.0015939800000000, 0.0002198800000000, -0.0001820900000000 ] - [ 0.0007092500000000, 0.0007152300000000, -0.0014520200000000 ] - [ 0.0003588700000000, -0.0006259500000000, -0.0005222500000000 ] - [ 0.0000565400000000, -0.0007159300000000, -0.0012116400000000 ] - [ -0.0002275400000000, 0.0007250600000000, -0.0020680100000000 ] - [ -0.0063214100000000, 0.0065469800000000, -0.0020091600000000 ] - [ -0.0033905700000000, -0.0091592900000000, -0.0035852200000000 ] - [ -0.0002655700000000, 0.0019141200000000, 0.0027143700000000 ] - [ -0.0001758300000000, -0.0006698600000000, 0.0005588400000000 ] - [ 0.0031015000000000, 0.0075058600000000, 0.0026150400000000 ] - [ 0.0001868700000000, -0.0011910700000000, 0.0017827100000000 ] - [ 0.0021836400000000, -0.0000224100000000, 0.0026703100000000 ] - [ 0.0003992000000000, -0.0007235300000000, -0.0000025500000000 ] - [ -0.0480173600000000, 0.0199501400000000, 0.0082493100000000 ] - [ -0.0009648500000000, -0.0012932400000000, 0.0000611500000000 ] - [ 0.0002575600000000, 0.0000693100000000, -0.0009954200000000 ] - [ -0.0005836400000000, -0.0002070900000000, 0.0000376400000000 ] - [ -0.0001030700000000, -0.0002536100000000, -0.0001070800000000 ] - [ 0.0000382300000000, 0.0004006400000000, -0.0004794200000000 ] - [ 0.0002677600000000, 0.0004120500000000, -0.0007740300000000 ] - [ 0.0011597400000000, -0.0001708600000000, -0.0015228000000000 ] - [ 0.0009500000000000, -0.0000077400000000, 0.0000006200000000 ] - [ 0.0015001700000000, 0.0003141900000000, 0.0001640400000000 ] - [ -0.0005845000000000, -0.0006181300000000, -0.0014406400000000 ] - [ -0.0004249000000000, -0.0003633000000000, -0.0006599500000000 ] - [ -0.0029365600000000, -0.0010921100000000, -0.0031055000000000 ] - [ -0.0000384700000000, 0.0003590400000000, -0.0000705100000000 ] - [ 0.0025504700000000, -0.0024702700000000, -0.0012328500000000 ] - [ 0.0002858900000000, 0.0010669100000000, -0.0009224700000000 ] - [ 0.1704388800000000, -0.1372514400000000, 0.0646769400000000 ] - [ 0.0003977900000000, 0.0003838000000000, 0.0004059500000000 ] - [ -0.0010000900000000, -0.0000186800000000, -0.0015719100000000 ] - [ -0.0002276100000000, 0.0003591300000000, -0.0003997700000000 ] - [ -0.0008424300000000, -0.0000851100000000, -0.0004824200000000 ] - [ -0.0000969900000000, 0.0002484200000000, -0.0000948700000000 ] - [ 0.0115392100000000, 0.0050051300000000, -0.0004192700000000 ] - [ 0.0025872600000000, 0.0019611500000000, -0.0002823300000000 ] - [ -0.0012754700000000, 0.0031746000000000, -0.0038406100000000 ] - [ 0.0001110100000000, -0.0006653800000000, -0.0006308000000000 ] - [ -0.0010153200000000, -0.0000271800000000, 0.0001779600000000 ] - [ -0.0003619800000000, 0.0000890500000000, 0.0000839200000000 ] - [ 0.0003908600000000, -0.0009144600000000, -0.0039749500000000 ] - [ 0.0004657600000000, 0.0001634800000000, -0.0000725800000000 ] - [ -0.0056142300000000, -0.0024469800000000, -0.0098259000000000 ] - [ 0.0006330800000000, 0.0007016800000000, -0.0009236700000000 ] - [ 0.0001031700000000, 0.0005906000000000, -0.0008189900000000 ] - [ -0.0003289500000000, -0.0010405500000000, -0.0012457800000000 ] - [ -0.0027349000000000, -0.0014840700000000, -0.0017758600000000 ] - [ -0.0005784900000000, 0.0002200200000000, -0.0008134900000000 ] - [ -0.0000103100000000, 0.0004384700000000, 0.0001242800000000 ] - [ -0.0003904900000000, -0.0000375800000000, 0.0003861100000000 ] - [ -0.0005060900000000, 0.0001737800000000, -0.0002071200000000 ] - [ -0.0007487600000000, -0.0000455000000000, -0.0003979600000000 ] - [ -0.0002086800000000, 0.0005549100000000, -0.0002326100000000 ] - [ -0.0003602900000000, -0.0007593700000000, -0.0009489300000000 ] - [ -0.0008684100000000, 0.0002068500000000, -0.0018636300000000 ] - [ -0.0002912300000000, 0.0004057600000000, -0.0004668400000000 ] - [ -0.0417359600000000, 0.0304161500000000, -0.0078753100000000 ] - [ 0.0010590900000000, 0.0000186200000000, 0.0002744000000000 ] - [ 0.0006596700000000, -0.0002693000000000, -0.0003107100000000 ] - [ 0.0000652900000000, 0.0002501200000000, -0.0000343500000000 ] - [ -0.0001616100000000, -0.0001289800000000, -0.0000006300000000 ] - [ 0.0000181100000000, 0.0000523400000000, -0.0000547600000000 ] - [ -0.0002271100000000, -0.0003088700000000, 0.0010086300000000 ] - [ -0.0001446700000000, 0.0005169000000000, 0.0005371700000000 ] - [ -0.0003671200000000, -0.0002373900000000, 0.0004904200000000 ] - [ -0.0007969200000000, 0.0002319100000000, 0.0006901600000000 ] - [ -0.0004151600000000, 0.0000915100000000, 0.0002400400000000 ] - [ -0.0002767600000000, 0.0004176500000000, 0.0001598900000000 ] - [ -0.0005308800000000, -0.0000955200000000, 0.0004305800000000 ] - [ -0.0005312400000000, -0.0002245400000000, 0.0003459300000000 ] - [ -0.0002983400000000, 0.0004185800000000, 0.0007938800000000 ] - [ 0.0003606400000000, -0.0000137900000000, 0.0003156700000000 ] - [ 0.0009390700000000, -0.0005609800000000, 0.0002679100000000 ] - [ -0.0003205000000000, 0.0010982500000000, 0.0017906600000000 ] - [ -0.0007477000000000, -0.0001667800000000, 0.0000682600000000 ] - [ -0.0002788400000000, 0.0001907700000000, 0.0000023500000000 ] - [ -0.0004199900000000, -0.0003878800000000, 0.0005908000000000 ] - [ -0.0000259700000000, 0.0001901300000000, 0.0000061500000000 ] - [ 0.0012160000000000, -0.0002449100000000, -0.0000183500000000 ] - [ -0.0074794400000000, 0.0157537800000000, 0.0009764600000000 ] - [ -0.0001297800000000, 0.0002438800000000, 0.0004311600000000 ] - [ -0.0000608200000000, 0.0000705600000000, 0.0001577700000000 ] - [ -0.0001832500000000, -0.0001542300000000, -0.0003736600000000 ] - [ -0.0001815400000000, -0.0006236900000000, -0.0002596100000000 ] - [ -0.0004985800000000, -0.0007082900000000, 0.0002495100000000 ] - [ -0.0002602200000000, 0.0000132600000000, -0.0001266400000000 ] - [ -0.0001796600000000, 0.0002653300000000, 0.0004791200000000 ] - [ -0.0002715700000000, -0.0004956500000000, 0.0011026200000000 ] - [ -0.0044807800000000, -0.0077084000000000, -0.0006381300000000 ] - [ 0.0001676400000000, 0.0024420900000000, -0.0007835400000000 ] - [ 0.0060052000000000, 0.0106646300000000, 0.0138489300000000 ] - [ 0.0002381300000000, 0.0007378000000000, 0.0000307800000000 ] - [ -0.0000930200000000, -0.0005933500000000, 0.0007268000000000 ] - [ -0.0001495000000000, 0.0003903700000000, 0.0007377900000000 ] - [ -0.0003493500000000, -0.0001863000000000, 0.0006266800000000 ] - [ -0.0006635600000000, -0.0002260200000000, 0.0011774200000000 ] - [ -0.0005487600000000, -0.0001636200000000, -0.0000375600000000 ] - [ -0.0011000000000000, -0.0001796800000000, -0.0001327600000000 ] - [ 0.0004442900000000, 0.0004346900000000, 0.0012877900000000 ] - [ 0.0001575800000000, 0.0002990300000000, -0.0004157800000000 ] - [ 0.0015151900000000, 0.0018062100000000, -0.0002947900000000 ] - [ 0.0049995700000000, 0.0008744700000000, -0.0015526300000000 ]- atom: 63 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012951400000000, -0.0021509800000000, -0.0000113600000000 ] - [ -0.0024481500000000, 0.0017165500000000, -0.0006631200000000 ] - [ 0.0001214100000000, -0.0000410900000000, 0.0007617100000000 ] - [ -0.0000749400000000, -0.0001763500000000, -0.0006419700000000 ] - [ -0.0002575900000000, -0.0005566100000000, -0.0001894600000000 ] - [ 0.0015284900000000, 0.0004431100000000, 0.0009379600000000 ] - [ -0.0000233000000000, -0.0000034800000000, -0.0001654300000000 ] - [ 0.0000910700000000, -0.0000403000000000, 0.0004570700000000 ] - [ -0.0004026200000000, 0.0004906000000000, 0.0000694600000000 ] - [ 0.0003622400000000, -0.0004794200000000, 0.0000806800000000 ] - [ 0.0000210400000000, 0.0016430900000000, 0.0005169100000000 ] - [ 0.0001240200000000, -0.0010934100000000, -0.0000912700000000 ] - [ 0.0015079800000000, 0.0008071800000000, -0.0009630600000000 ] - [ -0.0002885400000000, -0.0006037900000000, -0.0000453300000000 ] - [ -0.0003429000000000, 0.0028733100000000, -0.0011402600000000 ] - [ -0.0003171600000000, -0.0013760900000000, 0.0001384600000000 ] - [ -0.0573598200000000, 0.0732946000000000, -0.0595426000000000 ] - [ -0.0011543500000000, -0.0076261100000000, -0.0011057400000000 ] - [ -0.0002767900000000, 0.0009568400000000, 0.0001998500000000 ] - [ -0.0000288700000000, -0.0006782900000000, 0.0001201900000000 ] - [ 0.0044282800000000, 0.0027504800000000, 0.0097007700000000 ] - [ -0.0006317600000000, -0.0018002100000000, -0.0007958000000000 ] - [ 0.0002753000000000, -0.0016133900000000, 0.0018426500000000 ] - [ -0.0006400600000000, 0.0010119300000000, -0.0002271500000000 ] - [ -0.0000800600000000, 0.0012602300000000, 0.0004082000000000 ] - [ 0.0005161500000000, -0.0011153100000000, 0.0008026500000000 ] - [ 0.0008420100000000, 0.0013677500000000, -0.0003255400000000 ] - [ 0.0004460300000000, -0.0008635800000000, 0.0001002500000000 ] - [ 0.0005024700000000, 0.0003258700000000, -0.0000452500000000 ] - [ 0.0000435000000000, -0.0004764900000000, -0.0000078700000000 ] - [ -0.0071896800000000, -0.0057964400000000, -0.0068582700000000 ] - [ 0.0008630100000000, -0.0104707900000000, 0.0029266400000000 ] - [ 0.0000384000000000, -0.0014361400000000, -0.0001342700000000 ] - [ 0.0013794300000000, 0.0015140700000000, 0.0001062800000000 ] - [ 0.0001441200000000, 0.0026377200000000, -0.0006336100000000 ] - [ 0.0000415000000000, -0.0023598700000000, -0.0002486300000000 ] - [ 0.0001689100000000, -0.0019211400000000, -0.0004668700000000 ] - [ -0.0007553100000000, 0.0017684000000000, -0.0002903000000000 ] - [ -0.0167719800000000, -0.0042641100000000, 0.0027961600000000 ] - [ -0.0007158000000000, -0.0124471100000000, -0.0048265500000000 ] - [ -0.0003610000000000, 0.0033188800000000, 0.0008483700000000 ] - [ -0.0000852900000000, -0.0017266100000000, 0.0004094000000000 ] - [ -0.0003062100000000, 0.0066215600000000, -0.0042831400000000 ] - [ 0.0004336200000000, -0.0039105500000000, 0.0018674700000000 ] - [ 0.0012128900000000, 0.0010735200000000, 0.0011302700000000 ] - [ 0.0001672000000000, -0.0013486700000000, -0.0001471800000000 ] - [ -0.0167289600000000, 0.0823576900000000, 0.0203975900000000 ] - [ -0.0009999900000000, -0.0051919400000000, -0.0006040500000000 ] - [ 0.0010075500000000, 0.0001635100000000, -0.0019177200000000 ] - [ -0.0020931900000000, -0.0002577900000000, 0.0017401800000000 ] - [ 0.0003355400000000, -0.0003845300000000, 0.0001611000000000 ] - [ -0.0012403900000000, 0.0005464100000000, -0.0002332600000000 ] - [ -0.0023744800000000, 0.0003737900000000, 0.0013470600000000 ] - [ 0.0019174200000000, -0.0003931900000000, -0.0020610600000000 ] - [ 0.0002068500000000, -0.0002268700000000, -0.0001632200000000 ] - [ 0.0012778900000000, 0.0004470500000000, 0.0002154800000000 ] - [ -0.0002276300000000, -0.0002765100000000, -0.0005003000000000 ] - [ -0.0002824400000000, 0.0001231300000000, -0.0001053100000000 ] - [ -0.0019252200000000, -0.0018459200000000, -0.0017104200000000 ] - [ 0.0002657500000000, 0.0010150400000000, 0.0001299700000000 ] - [ 0.0024222700000000, -0.0013036500000000, 0.0010045200000000 ] - [ -0.0017425400000000, 0.0034876900000000, -0.0006005200000000 ] - [ 0.1354563200000000, -0.2448104300000000, 0.0386270000000000 ] - [ -0.0008028500000000, 0.0039115500000000, 0.0007518600000000 ] - [ 0.0000656200000000, -0.0009448800000000, -0.0003648200000000 ] - [ -0.0004217800000000, 0.0008837600000000, -0.0003996800000000 ] - [ -0.0004985300000000, -0.0003917200000000, -0.0001769400000000 ] - [ 0.0000858900000000, 0.0005212400000000, -0.0001162200000000 ] - [ 0.0022976400000000, 0.0513818800000000, -0.0040334500000000 ] - [ 0.0018596600000000, 0.0052396400000000, -0.0003175100000000 ] - [ -0.0010349600000000, 0.0015835300000000, -0.0025490700000000 ] - [ 0.0005231900000000, 0.0003083800000000, 0.0004763400000000 ] - [ -0.0006661500000000, -0.0005614700000000, -0.0000031700000000 ] - [ -0.0001887000000000, 0.0005211900000000, 0.0001270800000000 ] - [ -0.0000176700000000, -0.0021450400000000, -0.0030813700000000 ] - [ 0.0002755200000000, 0.0010409600000000, 0.0004934000000000 ] - [ -0.0019636000000000, -0.0080372200000000, -0.0019277600000000 ] - [ 0.0011180800000000, 0.0030030500000000, -0.0006710800000000 ] - [ -0.0002356300000000, 0.0011266800000000, -0.0010535400000000 ] - [ 0.0003543700000000, -0.0015017200000000, 0.0008044700000000 ] - [ 0.0000791200000000, -0.0016711600000000, 0.0005529700000000 ] - [ -0.0010171600000000, 0.0009414200000000, -0.0008036500000000 ] - [ -0.0000793900000000, 0.0005924600000000, -0.0000958200000000 ] - [ 0.0006335600000000, -0.0003717000000000, 0.0004352100000000 ] - [ -0.0002916700000000, 0.0004088800000000, -0.0000267800000000 ] - [ -0.0005875300000000, -0.0001903900000000, -0.0003876300000000 ] - [ -0.0001373900000000, 0.0008953200000000, 0.0001850700000000 ] - [ 0.0001594800000000, -0.0013063400000000, -0.0004944700000000 ] - [ -0.0004671200000000, -0.0006592700000000, -0.0001514400000000 ] - [ -0.0002739500000000, 0.0008859900000000, -0.0005005900000000 ] - [ -0.0304358000000000, 0.0078085500000000, -0.0048456500000000 ] - [ 0.0011588200000000, 0.0014474200000000, 0.0006366100000000 ] - [ 0.0003668100000000, -0.0006517900000000, -0.0000714000000000 ] - [ -0.0001216900000000, 0.0005951700000000, -0.0000338700000000 ] - [ 0.0000975000000000, -0.0005489300000000, 0.0000578100000000 ] - [ 0.0001177100000000, 0.0004747400000000, -0.0001376600000000 ] - [ -0.0002709600000000, -0.0017197800000000, 0.0000605200000000 ] - [ 0.0000261800000000, 0.0015619100000000, 0.0005610800000000 ] - [ 0.0009559400000000, 0.0003991300000000, -0.0000424200000000 ] - [ -0.0012088400000000, 0.0001222400000000, 0.0008031500000000 ] - [ 0.0001246500000000, -0.0004055700000000, -0.0000236700000000 ] - [ -0.0003720800000000, 0.0006933500000000, 0.0001064500000000 ] - [ -0.0001941800000000, -0.0002370800000000, 0.0005219800000000 ] - [ -0.0003255100000000, -0.0002357400000000, 0.0002943300000000 ] - [ -0.0008977800000000, 0.0008179500000000, 0.0011045100000000 ] - [ 0.0010138700000000, 0.0000294500000000, -0.0004911400000000 ] - [ 0.0036428900000000, 0.0004775700000000, -0.0029098900000000 ] - [ -0.0012060100000000, 0.0013723200000000, 0.0026845600000000 ] - [ -0.0003437800000000, -0.0003879700000000, 0.0000771300000000 ] - [ 0.0000549200000000, 0.0005518300000000, -0.0000602200000000 ] - [ 0.0000115400000000, -0.0015138600000000, 0.0004241200000000 ] - [ 0.0000454700000000, 0.0012874100000000, -0.0003136300000000 ] - [ 0.0020446600000000, 0.0038510100000000, 0.0011265100000000 ] - [ -0.0150570100000000, 0.0172889800000000, 0.0005895400000000 ] - [ 0.0000571700000000, 0.0006715100000000, 0.0006741100000000 ] - [ 0.0002394300000000, -0.0005264600000000, -0.0005312700000000 ] - [ -0.0002033100000000, -0.0002824500000000, -0.0005636800000000 ] - [ 0.0002700100000000, -0.0002798200000000, -0.0002691700000000 ] - [ -0.0005704800000000, -0.0013891400000000, 0.0004089000000000 ] - [ 0.0003200000000000, 0.0009855300000000, -0.0006822500000000 ] - [ -0.0005779500000000, 0.0004781200000000, 0.0001314200000000 ] - [ 0.0009183800000000, -0.0006336700000000, -0.0000425200000000 ] - [ 0.0059810400000000, -0.0009214500000000, 0.0030054900000000 ] - [ -0.0004507200000000, 0.0038513800000000, -0.0011082100000000 ] - [ -0.0062475700000000, 0.0138521400000000, 0.0265155600000000 ] - [ 0.0003618300000000, 0.0029618600000000, 0.0004805300000000 ] - [ 0.0006936900000000, -0.0016395600000000, -0.0001242100000000 ] - [ -0.0002765400000000, 0.0010652500000000, 0.0008375500000000 ] - [ 0.0000767900000000, 0.0006382100000000, -0.0004418800000000 ] - [ -0.0004339400000000, -0.0005451400000000, 0.0007793200000000 ] - [ 0.0001547600000000, 0.0002218200000000, 0.0001743800000000 ] - [ -0.0009703800000000, -0.0004726900000000, -0.0002235500000000 ] - [ -0.0001686100000000, 0.0007045600000000, 0.0028313400000000 ] - [ 0.0008968500000000, 0.0017339500000000, -0.0032839700000000 ] - [ 0.0014307500000000, 0.0038403300000000, 0.0007264400000000 ] - [ -0.0008133200000000, 0.0138195300000000, -0.0141829000000000 ]- atom: 63 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0015598100000000, 0.0021493300000000, 0.0000988800000000 ] - [ 0.0022413400000000, -0.0016697900000000, 0.0007393100000000 ] - [ 0.0001695500000000, 0.0000117700000000, -0.0008319600000000 ] - [ 0.0003655200000000, 0.0001513300000000, 0.0005722200000000 ] - [ 0.0005137300000000, 0.0005475000000000, 0.0001059200000000 ] - [ -0.0012763100000000, -0.0004379200000000, -0.0010179500000000 ] - [ -0.0002686700000000, -0.0000246300000000, 0.0002314800000000 ] - [ -0.0003825700000000, 0.0000143700000000, -0.0003887500000000 ] - [ 0.0001414600000000, -0.0004941400000000, 0.0000172400000000 ] - [ -0.0006180100000000, 0.0004748900000000, 0.0000034700000000 ] - [ 0.0002782500000000, -0.0016643700000000, -0.0005914400000000 ] - [ 0.0001675400000000, 0.0010640100000000, 0.0000236000000000 ] - [ -0.0012504300000000, -0.0008107700000000, 0.0008813200000000 ] - [ 0.0005439400000000, 0.0005992000000000, -0.0000378900000000 ] - [ 0.0000582900000000, -0.0028994800000000, 0.0012038200000000 ] - [ 0.0000283100000000, 0.0013493900000000, -0.0000729200000000 ] - [ 0.0554502300000000, -0.0723650300000000, 0.0572572700000000 ] - [ 0.0011600300000000, 0.0077239700000000, 0.0011327800000000 ] - [ -0.0002513800000000, -0.0007668900000000, -0.0000352900000000 ] - [ -0.0004945300000000, 0.0008694900000000, 0.0000368200000000 ] - [ -0.0039856700000000, -0.0027574800000000, -0.0093553600000000 ] - [ 0.0010698900000000, 0.0018056700000000, 0.0011536200000000 ] - [ -0.0002804000000000, 0.0018866100000000, -0.0018499200000000 ] - [ 0.0006395000000000, -0.0007183900000000, 0.0002222700000000 ] - [ -0.0003839800000000, -0.0012564600000000, -0.0007995300000000 ] - [ -0.0009592700000000, 0.0011235900000000, -0.0011648700000000 ] - [ -0.0003218100000000, -0.0011808700000000, 0.0001629400000000 ] - [ 0.0000774500000000, 0.0010515900000000, -0.0002547200000000 ] - [ -0.0005071100000000, -0.0002337900000000, 0.0000466200000000 ] - [ -0.0000420300000000, 0.0005725900000000, 0.0000051200000000 ] - [ 0.0066566200000000, 0.0059556700000000, 0.0070061500000000 ] - [ -0.0013793300000000, 0.0106589500000000, -0.0027664100000000 ] - [ 0.0004053000000000, 0.0014390100000000, 0.0004994000000000 ] - [ -0.0009370500000000, -0.0014955200000000, 0.0002621000000000 ] - [ -0.0001449400000000, -0.0023564400000000, 0.0006352700000000 ] - [ -0.0000408700000000, 0.0026374700000000, 0.0002471800000000 ] - [ -0.0006105300000000, 0.0019234700000000, 0.0001039200000000 ] - [ 0.0003060100000000, -0.0017529100000000, -0.0000724200000000 ] - [ 0.0173835600000000, 0.0043978500000000, -0.0029509500000000 ] - [ 0.0012645100000000, 0.0126322300000000, 0.0046701900000000 ] - [ 0.0000922300000000, -0.0033952300000000, -0.0007186300000000 ] - [ -0.0001852400000000, 0.0016493300000000, -0.0002810100000000 ] - [ -0.0005090200000000, -0.0065354800000000, 0.0044542600000000 ] - [ -0.0012056500000000, 0.0040776400000000, -0.0017130400000000 ] - [ -0.0009456500000000, -0.0011435400000000, -0.0012687800000000 ] - [ 0.0000985200000000, 0.0012691500000000, 0.0000153100000000 ] - [ 0.0214752500000000, -0.0886211300000000, -0.0230000700000000 ] - [ 0.0017618300000000, 0.0053497500000000, 0.0004618300000000 ] - [ -0.0012708900000000, -0.0002417000000000, 0.0020434600000000 ] - [ 0.0018216100000000, 0.0001802900000000, -0.0016056500000000 ] - [ -0.0011082400000000, 0.0005528000000000, -0.0000129500000000 ] - [ 0.0004637800000000, -0.0003737400000000, 0.0003828200000000 ] - [ 0.0026474700000000, -0.0004522000000000, -0.0014772200000000 ] - [ -0.0016440100000000, 0.0003198900000000, 0.0019237000000000 ] - [ 0.0005664600000000, 0.0003971300000000, 0.0000117400000000 ] - [ -0.0005033800000000, -0.0002745200000000, -0.0003620400000000 ] - [ -0.0001042300000000, 0.0001939300000000, 0.0007103200000000 ] - [ -0.0000521500000000, -0.0002130600000000, 0.0003109700000000 ] - [ 0.0018964200000000, 0.0020484500000000, 0.0017524800000000 ] - [ -0.0002939600000000, -0.0008105000000000, -0.0000938300000000 ] - [ -0.0025462200000000, 0.0016689600000000, -0.0010033600000000 ] - [ 0.0016162900000000, -0.0031445600000000, 0.0005969800000000 ] - [ -0.1380235700000000, 0.2505033900000000, -0.0327878200000000 ] - [ 0.0006139900000000, -0.0045700300000000, 0.0001196800000000 ] - [ -0.0000378500000000, 0.0011521500000000, 0.0003356700000000 ] - [ 0.0004498000000000, -0.0006761400000000, 0.0003668700000000 ] - [ 0.0006756500000000, 0.0005689200000000, 0.0000602200000000 ] - [ 0.0000946600000000, -0.0003411200000000, -0.0000144000000000 ] - [ -0.0020980100000000, -0.0521682400000000, 0.0041550800000000 ] - [ -0.0017311600000000, -0.0048744800000000, 0.0003143400000000 ] - [ 0.0013680400000000, -0.0016634700000000, 0.0023479600000000 ] - [ -0.0001886300000000, -0.0003942400000000, -0.0006776500000000 ] - [ 0.0003001500000000, 0.0005154600000000, 0.0000732300000000 ] - [ -0.0001767200000000, -0.0005601200000000, -0.0000545300000000 ] - [ 0.0004011200000000, 0.0021976200000000, 0.0030265600000000 ] - [ 0.0001089700000000, -0.0009984600000000, -0.0005456900000000 ] - [ 0.0022242000000000, 0.0073834500000000, 0.0011457100000000 ] - [ -0.0009322800000000, -0.0036621300000000, -0.0002067500000000 ] - [ -0.0001912600000000, -0.0016178300000000, 0.0006757600000000 ] - [ -0.0007881700000000, 0.0010005200000000, -0.0011834100000000 ] - [ 0.0000387700000000, 0.0014687300000000, -0.0006129400000000 ] - [ 0.0010980400000000, -0.0011610800000000, 0.0007338200000000 ] - [ 0.0007233400000000, -0.0003094800000000, 0.0003052800000000 ] - [ 0.0000063800000000, 0.0006600300000000, -0.0002291400000000 ] - [ -0.0003405200000000, -0.0001115800000000, -0.0001719900000000 ] - [ -0.0000491500000000, 0.0004761400000000, 0.0001795900000000 ] - [ 0.0005681800000000, -0.0013844400000000, 0.0002004900000000 ] - [ 0.0002748600000000, 0.0008079400000000, 0.0008800400000000 ] - [ 0.0000929700000000, 0.0007030300000000, 0.0002109500000000 ] - [ -0.0001071000000000, -0.0008433400000000, 0.0005529700000000 ] - [ 0.0306359000000000, -0.0079796800000000, 0.0048902800000000 ] - [ -0.0012353600000000, -0.0016658300000000, -0.0005598000000000 ] - [ -0.0005447500000000, 0.0008306000000000, 0.0001908100000000 ] - [ -0.0000535800000000, -0.0004168600000000, 0.0001473700000000 ] - [ 0.0002718400000000, 0.0005074600000000, -0.0001296200000000 ] - [ 0.0002492800000000, -0.0005287500000000, 0.0000718900000000 ] - [ -0.0000640200000000, 0.0016351400000000, 0.0001455300000000 ] - [ -0.0003573000000000, -0.0016396500000000, -0.0003576100000000 ] - [ -0.0009756600000000, -0.0001825500000000, 0.0000764300000000 ] - [ 0.0011842400000000, 0.0000891800000000, -0.0007657200000000 ] - [ -0.0002410800000000, 0.0007418000000000, 0.0000190600000000 ] - [ 0.0002406700000000, -0.0003519100000000, -0.0001048800000000 ] - [ 0.0000097700000000, -0.0004245100000000, 0.0003558500000000 ] - [ 0.0001408000000000, -0.0004272900000000, 0.0005814300000000 ] - [ 0.0009281800000000, -0.0006158200000000, -0.0011364600000000 ] - [ -0.0009818600000000, 0.0001742800000000, 0.0004537600000000 ] - [ -0.0034796700000000, -0.0002899500000000, 0.0028016700000000 ] - [ 0.0013777700000000, -0.0011944100000000, -0.0027896000000000 ] - [ 0.0004682500000000, 0.0007260000000000, -0.0000775100000000 ] - [ 0.0000572300000000, -0.0002142300000000, 0.0000636600000000 ] - [ 0.0003279000000000, 0.0014182500000000, -0.0006305600000000 ] - [ 0.0002896300000000, -0.0013797900000000, 0.0001118100000000 ] - [ -0.0024362500000000, -0.0039071900000000, -0.0010662400000000 ] - [ 0.0144028500000000, -0.0172350700000000, -0.0005204000000000 ] - [ 0.0003172800000000, -0.0006222100000000, -0.0007158800000000 ] - [ 0.0001368900000000, 0.0005683000000000, 0.0004843600000000 ] - [ 0.0003881100000000, -0.0003805400000000, -0.0003127800000000 ] - [ -0.0000824700000000, -0.0003823400000000, -0.0006083100000000 ] - [ 0.0001344800000000, 0.0008932200000000, -0.0007905600000000 ] - [ -0.0007483500000000, -0.0014769400000000, 0.0003003700000000 ] - [ 0.0006574000000000, -0.0006976600000000, -0.0002120700000000 ] - [ -0.0008342600000000, 0.0004124300000000, -0.0000309500000000 ] - [ -0.0053601900000000, 0.0012700400000000, -0.0028227600000000 ] - [ 0.0010800700000000, -0.0035473300000000, 0.0013041000000000 ] - [ 0.0056955500000000, -0.0134981000000000, -0.0268751700000000 ] - [ -0.0010006200000000, -0.0026672200000000, -0.0006899500000000 ] - [ -0.0002581600000000, 0.0011467700000000, 0.0005045800000000 ] - [ 0.0007040500000000, -0.0015582000000000, -0.0004564300000000 ] - [ -0.0004652800000000, -0.0005943100000000, 0.0004996200000000 ] - [ 0.0000545800000000, 0.0005839200000000, -0.0007274700000000 ] - [ -0.0002397200000000, -0.0004406700000000, -0.0001146000000000 ] - [ 0.0008841500000000, 0.0002491200000000, 0.0002836000000000 ] - [ -0.0000177800000000, -0.0005224400000000, -0.0027015600000000 ] - [ -0.0010764900000000, -0.0015474400000000, 0.0033881600000000 ] - [ -0.0010607200000000, -0.0038602500000000, -0.0008118300000000 ] - [ 0.0012045000000000, -0.0137553400000000, 0.0138786500000000 ]- atom: 63 displacement: [ -0.0066066504307377, 0.0000000000000000, 0.0075068082489187 ] forces: - [ -0.0001587200000000, -0.0008737100000000, 0.0003256000000000 ] - [ -0.0012495400000000, 0.0006749500000000, 0.0014032000000000 ] - [ -0.0000448000000000, 0.0002892300000000, -0.0003527500000000 ] - [ -0.0000485000000000, -0.0003348000000000, -0.0004850700000000 ] - [ 0.0000930600000000, -0.0000014300000000, 0.0002038900000000 ] - [ 0.0005327900000000, 0.0000274100000000, 0.0006700400000000 ] - [ -0.0001355900000000, -0.0000416100000000, -0.0001555800000000 ] - [ -0.0001429300000000, 0.0000146300000000, -0.0000228700000000 ] - [ 0.0004125600000000, 0.0001319600000000, 0.0000627800000000 ] - [ 0.0001597700000000, -0.0001785800000000, 0.0000621300000000 ] - [ -0.0001168500000000, 0.0003781700000000, -0.0007936900000000 ] - [ 0.0001047100000000, -0.0002787400000000, -0.0001691200000000 ] - [ 0.0016762200000000, 0.0000659400000000, -0.0008832300000000 ] - [ 0.0002339100000000, -0.0000219700000000, -0.0001393400000000 ] - [ -0.0013573600000000, 0.0006144600000000, 0.0003446900000000 ] - [ -0.0002222400000000, -0.0001914700000000, -0.0000887300000000 ] - [ 0.0029181300000000, -0.0074291800000000, 0.0349578300000000 ] - [ -0.0019783100000000, -0.0010600900000000, 0.0021415900000000 ] - [ 0.0001401800000000, 0.0002956500000000, -0.0010200000000000 ] - [ -0.0000696700000000, -0.0000571600000000, -0.0001041000000000 ] - [ -0.0006399100000000, 0.0016586900000000, 0.0088625900000000 ] - [ -0.0003005200000000, -0.0002304500000000, 0.0002905200000000 ] - [ -0.0006372200000000, -0.0005658700000000, 0.0012473200000000 ] - [ -0.0011364100000000, -0.0000435800000000, 0.0005193000000000 ] - [ -0.0008169800000000, 0.0006621800000000, 0.0003685000000000 ] - [ -0.0003503400000000, -0.0003128400000000, 0.0002250200000000 ] - [ 0.0010239300000000, 0.0003900500000000, -0.0003314100000000 ] - [ 0.0004948300000000, -0.0001736400000000, -0.0001794900000000 ] - [ 0.0006821900000000, 0.0001102800000000, -0.0003728500000000 ] - [ 0.0003053300000000, -0.0000854600000000, -0.0001439500000000 ] - [ -0.0096118200000000, -0.0065676300000000, -0.0026864500000000 ] - [ -0.0018962000000000, 0.0033609600000000, 0.0004601500000000 ] - [ 0.0011884200000000, 0.0001283200000000, -0.0003506700000000 ] - [ 0.0017874200000000, -0.0000249100000000, -0.0003387800000000 ] - [ 0.0018631700000000, 0.0007453300000000, -0.0015818300000000 ] - [ 0.0007778100000000, -0.0004853600000000, -0.0005143000000000 ] - [ 0.0010277700000000, -0.0009637600000000, -0.0009652200000000 ] - [ 0.0010596600000000, 0.0005680600000000, -0.0018126700000000 ] - [ -0.0010754900000000, 0.0072064100000000, 0.0004624800000000 ] - [ -0.0019110700000000, -0.0078247800000000, -0.0016937800000000 ] - [ -0.0009170700000000, 0.0005725300000000, -0.0002798700000000 ] - [ -0.0002221700000000, -0.0003846400000000, 0.0001971400000000 ] - [ -0.0012716300000000, 0.0002502500000000, 0.0056123700000000 ] - [ -0.0005888500000000, -0.0003487400000000, 0.0021442300000000 ] - [ 0.0006899200000000, 0.0002176000000000, 0.0008695600000000 ] - [ 0.0001235600000000, -0.0004581000000000, -0.0000988600000000 ] - [ -0.0368007000000000, 0.0279540500000000, 0.0448056500000000 ] - [ -0.0006147300000000, -0.0013718900000000, 0.0014030500000000 ] - [ 0.0012275600000000, -0.0000722100000000, -0.0018557400000000 ] - [ 0.0005987100000000, -0.0002518100000000, -0.0005882500000000 ] - [ 0.0001145500000000, -0.0000751700000000, -0.0000003000000000 ] - [ 0.0001595500000000, 0.0000861000000000, -0.0002797900000000 ] - [ 0.0012174400000000, 0.0007394600000000, -0.0009212200000000 ] - [ 0.0013896200000000, -0.0005375200000000, -0.0012263600000000 ] - [ 0.0006394300000000, 0.0000526100000000, -0.0001453700000000 ] - [ 0.0010807100000000, 0.0002076400000000, -0.0002019100000000 ] - [ 0.0000018600000000, -0.0003789300000000, -0.0003913000000000 ] - [ 0.0000065400000000, 0.0001709500000000, -0.0000436300000000 ] - [ -0.0009575300000000, -0.0006008900000000, -0.0016122200000000 ] - [ 0.0001106600000000, 0.0003361900000000, 0.0000000500000000 ] - [ 0.0029377000000000, -0.0003988300000000, -0.0013119200000000 ] - [ 0.0011613800000000, -0.0002241100000000, -0.0012120800000000 ] - [ 0.0648437600000000, -0.0622922800000000, -0.0898667400000000 ] - [ 0.0002542900000000, 0.0003745200000000, -0.0001821200000000 ] - [ 0.0004464700000000, -0.0001682800000000, 0.0000805100000000 ] - [ 0.0000144900000000, 0.0002619000000000, -0.0001246600000000 ] - [ -0.0001243700000000, -0.0000475900000000, -0.0000248200000000 ] - [ 0.0001003800000000, 0.0002158400000000, -0.0000004900000000 ] - [ 0.0076378600000000, -0.0051206300000000, -0.0062818300000000 ] - [ 0.0019784600000000, 0.0022529100000000, -0.0011179600000000 ] - [ -0.0003847300000000, 0.0015230400000000, -0.0023998700000000 ] - [ 0.0003471000000000, -0.0000636400000000, -0.0004799500000000 ] - [ -0.0006632900000000, -0.0000849700000000, 0.0001798900000000 ] - [ -0.0002961300000000, 0.0001362700000000, 0.0001400800000000 ] - [ 0.0023578800000000, -0.0012890000000000, -0.0007660900000000 ] - [ 0.0004212300000000, 0.0002212000000000, -0.0000627600000000 ] - [ 0.0033366500000000, -0.0005603600000000, -0.0030906500000000 ] - [ 0.0008101300000000, 0.0005186500000000, -0.0010911600000000 ] - [ 0.0001053400000000, 0.0001450900000000, -0.0004652600000000 ] - [ 0.0008405200000000, -0.0000192600000000, 0.0000509500000000 ] - [ 0.0004530800000000, 0.0000382900000000, -0.0010641200000000 ] - [ 0.0000895400000000, 0.0000393900000000, -0.0004688700000000 ] - [ 0.0001105000000000, 0.0003024100000000, 0.0001157400000000 ] - [ -0.0000516500000000, 0.0000556100000000, 0.0003364900000000 ] - [ -0.0003974400000000, 0.0001790300000000, -0.0000369100000000 ] - [ -0.0005183100000000, 0.0001328500000000, 0.0001318000000000 ] - [ 0.0001810400000000, 0.0001930100000000, 0.0000348700000000 ] - [ 0.0004786700000000, -0.0006630000000000, -0.0002348600000000 ] - [ -0.0000035100000000, -0.0000221200000000, -0.0005415900000000 ] - [ -0.0000693600000000, 0.0002856500000000, -0.0002265500000000 ] - [ -0.0222252700000000, 0.0160793000000000, -0.0116525900000000 ] - [ 0.0005426200000000, 0.0001343100000000, -0.0001349100000000 ] - [ 0.0005169900000000, -0.0000632600000000, 0.0009690900000000 ] - [ 0.0000065100000000, 0.0001779800000000, 0.0001037500000000 ] - [ -0.0000622300000000, -0.0003410200000000, 0.0003288400000000 ] - [ 0.0000755500000000, 0.0000752600000000, 0.0000360500000000 ] - [ -0.0007885200000000, -0.0003540100000000, 0.0010184400000000 ] - [ -0.0003838200000000, 0.0004892900000000, 0.0004946200000000 ] - [ -0.0007862600000000, -0.0003157900000000, 0.0002352700000000 ] - [ -0.0009405700000000, 0.0002608700000000, 0.0004775200000000 ] - [ -0.0005119000000000, 0.0002220800000000, 0.0004135400000000 ] - [ -0.0003211700000000, 0.0003712000000000, 0.0001488800000000 ] - [ -0.0003145100000000, -0.0002837300000000, 0.0005534400000000 ] - [ -0.0003776600000000, -0.0002009700000000, 0.0004977900000000 ] - [ -0.0012809100000000, 0.0008305800000000, 0.0011680500000000 ] - [ -0.0004795200000000, 0.0001084900000000, 0.0003688100000000 ] - [ -0.0002724300000000, -0.0011313400000000, 0.0001637900000000 ] - [ -0.0006181600000000, 0.0012412300000000, 0.0011272700000000 ] - [ -0.0004216200000000, -0.0000631300000000, 0.0001798800000000 ] - [ -0.0001335800000000, 0.0001891500000000, 0.0000781200000000 ] - [ -0.0007967200000000, -0.0002901800000000, 0.0005380500000000 ] - [ -0.0001358500000000, 0.0001445500000000, 0.0000636900000000 ] - [ 0.0005272900000000, -0.0007774500000000, -0.0007266600000000 ] - [ -0.0081445400000000, 0.0134100500000000, -0.0024786800000000 ] - [ -0.0003252600000000, 0.0004710600000000, 0.0008667800000000 ] - [ -0.0003383700000000, 0.0002174900000000, 0.0005670500000000 ] - [ -0.0002205500000000, -0.0003417200000000, -0.0003216900000000 ] - [ -0.0001356400000000, -0.0004326500000000, -0.0002461600000000 ] - [ -0.0009686500000000, -0.0008866300000000, 0.0005429900000000 ] - [ -0.0006349000000000, -0.0002729100000000, 0.0001039700000000 ] - [ -0.0004725900000000, 0.0002080700000000, 0.0001438900000000 ] - [ -0.0005000900000000, -0.0003648000000000, 0.0005153700000000 ] - [ -0.0035303300000000, -0.0049856500000000, -0.0036368000000000 ] - [ 0.0001798600000000, 0.0020840900000000, -0.0011469900000000 ] - [ -0.0023164800000000, 0.0288031300000000, 0.0261933600000000 ] - [ -0.0001245500000000, -0.0002318200000000, -0.0009168400000000 ] - [ -0.0008392400000000, -0.0007692400000000, 0.0008414600000000 ] - [ -0.0003834700000000, 0.0005178600000000, 0.0007181300000000 ] - [ -0.0007940800000000, -0.0003704700000000, 0.0008201700000000 ] - [ -0.0012410800000000, 0.0001952300000000, 0.0012587900000000 ] - [ -0.0003475200000000, -0.0001433200000000, 0.0000819400000000 ] - [ -0.0007330000000000, -0.0001308000000000, -0.0000426000000000 ] - [ 0.0001975300000000, 0.0010054700000000, 0.0026972500000000 ] - [ -0.0003805200000000, -0.0004448900000000, 0.0010257600000000 ] - [ 0.0019012500000000, 0.0033232700000000, -0.0014674100000000 ] - [ 0.0043674800000000, -0.0089688900000000, 0.0026015200000000 ]- atom: 63 displacement: [ 0.0066066504307377, 0.0000000000000000, -0.0075068082489187 ] forces: - [ -0.0000959100000000, 0.0008659400000000, -0.0002438800000000 ] - [ 0.0010281200000000, -0.0006485000000000, -0.0013158500000000 ] - [ 0.0003332300000000, -0.0003149600000000, 0.0002846400000000 ] - [ 0.0003375500000000, 0.0003060800000000, 0.0004150400000000 ] - [ 0.0001632000000000, -0.0000033300000000, -0.0002872600000000 ] - [ -0.0002797800000000, -0.0000279500000000, -0.0007514300000000 ] - [ -0.0001534800000000, 0.0000147200000000, 0.0002254700000000 ] - [ -0.0001486800000000, -0.0000410300000000, 0.0000908000000000 ] - [ -0.0006706500000000, -0.0001354200000000, 0.0000239600000000 ] - [ -0.0004166600000000, 0.0001741800000000, 0.0000223000000000 ] - [ 0.0004121100000000, -0.0004082600000000, 0.0007206000000000 ] - [ 0.0001871700000000, 0.0002546600000000, 0.0001012200000000 ] - [ -0.0014197200000000, -0.0000686200000000, 0.0007953600000000 ] - [ 0.0000236900000000, 0.0000183200000000, 0.0000546600000000 ] - [ 0.0009022500000000, -0.0005968800000000, -0.0000503100000000 ] - [ -0.0000703500000000, 0.0001636800000000, 0.0001590600000000 ] - [ -0.0026365500000000, 0.0070642000000000, -0.0340380900000000 ] - [ 0.0019831500000000, 0.0011477500000000, -0.0021530100000000 ] - [ -0.0006686800000000, -0.0001121600000000, 0.0011674900000000 ] - [ -0.0004547800000000, 0.0002423900000000, 0.0002594900000000 ] - [ 0.0010887100000000, -0.0016589700000000, -0.0084743800000000 ] - [ 0.0007424600000000, 0.0002351300000000, 0.0000709800000000 ] - [ 0.0006386500000000, 0.0008438900000000, -0.0012451400000000 ] - [ 0.0011317700000000, 0.0003311000000000, -0.0005203800000000 ] - [ 0.0003655500000000, -0.0006572000000000, -0.0007362900000000 ] - [ -0.0000939600000000, 0.0003191300000000, -0.0005844300000000 ] - [ -0.0004955600000000, -0.0002048100000000, 0.0001735000000000 ] - [ 0.0000321300000000, 0.0003547600000000, 0.0000295100000000 ] - [ -0.0006815400000000, -0.0000193800000000, 0.0003724600000000 ] - [ -0.0003037300000000, 0.0001784700000000, 0.0001414400000000 ] - [ 0.0091173600000000, 0.0067348300000000, 0.0028144600000000 ] - [ 0.0013582000000000, -0.0031285500000000, -0.0003037300000000 ] - [ -0.0007449600000000, -0.0001190800000000, 0.0007168600000000 ] - [ -0.0013373500000000, 0.0000267600000000, 0.0007027400000000 ] - [ -0.0018545400000000, -0.0004631400000000, 0.0015786800000000 ] - [ -0.0007744900000000, 0.0007716900000000, 0.0005149300000000 ] - [ -0.0014737400000000, 0.0009777700000000, 0.0006006300000000 ] - [ -0.0014951100000000, -0.0005670700000000, 0.0014440100000000 ] - [ 0.0015573800000000, -0.0070029500000000, -0.0005922200000000 ] - [ 0.0024329800000000, 0.0080008100000000, 0.0015484000000000 ] - [ 0.0006379000000000, -0.0006403100000000, 0.0004123000000000 ] - [ -0.0000529100000000, 0.0003071900000000, -0.0000644400000000 ] - [ 0.0004764400000000, -0.0001253900000000, -0.0054503100000000 ] - [ -0.0001880200000000, 0.0005224700000000, -0.0019913000000000 ] - [ -0.0004165500000000, -0.0002905500000000, -0.0010001700000000 ] - [ 0.0001448300000000, 0.0003825000000000, -0.0000307500000000 ] - [ 0.0383856600000000, -0.0301213300000000, -0.0450887900000000 ] - [ 0.0013888100000000, 0.0015423100000000, -0.0015475300000000 ] - [ -0.0015052200000000, -0.0000019000000000, 0.0019922200000000 ] - [ -0.0008599700000000, 0.0001751600000000, 0.0007125200000000 ] - [ -0.0008888900000000, 0.0002435900000000, 0.0001444200000000 ] - [ -0.0009349400000000, 0.0000855700000000, 0.0004273100000000 ] - [ -0.0009506300000000, -0.0008093700000000, 0.0007949900000000 ] - [ -0.0011176500000000, 0.0004561500000000, 0.0010969400000000 ] - [ 0.0001364000000000, 0.0001205400000000, -0.0000055000000000 ] - [ -0.0003052000000000, -0.0000372400000000, 0.0000560000000000 ] - [ -0.0003355700000000, 0.0003007100000000, 0.0005988000000000 ] - [ -0.0003389300000000, -0.0002493800000000, 0.0002509500000000 ] - [ 0.0009257700000000, 0.0008077400000000, 0.0016396000000000 ] - [ -0.0001368200000000, -0.0001238100000000, 0.0000316000000000 ] - [ -0.0030784200000000, 0.0007496700000000, 0.0013143400000000 ] - [ -0.0012885700000000, 0.0005596300000000, 0.0012070800000000 ] - [ -0.0659092500000000, 0.0647182500000000, 0.0899764900000000 ] - [ -0.0004437600000000, -0.0010338200000000, 0.0010595800000000 ] - [ -0.0004117300000000, 0.0003720400000000, -0.0001096200000000 ] - [ 0.0000166200000000, -0.0000579000000000, 0.0000930100000000 ] - [ 0.0002978300000000, 0.0002273100000000, -0.0000918400000000 ] - [ 0.0000770100000000, -0.0000339000000000, -0.0001370900000000 ] - [ -0.0075419700000000, 0.0056328700000000, 0.0062604800000000 ] - [ -0.0018617000000000, -0.0019125600000000, 0.0011151600000000 ] - [ 0.0007195500000000, -0.0016073700000000, 0.0021953200000000 ] - [ -0.0000095100000000, -0.0000241000000000, 0.0002750200000000 ] - [ 0.0002998900000000, 0.0000373600000000, -0.0001109800000000 ] - [ -0.0000636700000000, -0.0001693100000000, -0.0000662600000000 ] - [ -0.0019754800000000, 0.0013267900000000, 0.0007063600000000 ] - [ -0.0000453600000000, -0.0001781400000000, 0.0000156900000000 ] - [ -0.0031245700000000, -0.0000972200000000, 0.0022372800000000 ] - [ -0.0006231700000000, -0.0011813300000000, 0.0002148700000000 ] - [ -0.0005397000000000, -0.0006380900000000, 0.0000827000000000 ] - [ -0.0012710100000000, -0.0004773000000000, -0.0004327600000000 ] - [ -0.0003597700000000, -0.0002481900000000, 0.0009889300000000 ] - [ -0.0000061200000000, -0.0002604600000000, 0.0003905000000000 ] - [ 0.0005365200000000, -0.0000227500000000, 0.0000952200000000 ] - [ 0.0006887600000000, 0.0002343600000000, -0.0001280500000000 ] - [ -0.0002360300000000, 0.0001207500000000, -0.0001606900000000 ] - [ -0.0001242600000000, 0.0001511200000000, -0.0003401500000000 ] - [ 0.0002514200000000, -0.0006870300000000, 0.0003479400000000 ] - [ -0.0000409400000000, 0.0001648600000000, 0.0006177800000000 ] - [ -0.0003754500000000, 0.0000643800000000, 0.0005967900000000 ] - [ -0.0003145400000000, -0.0002452400000000, 0.0002829200000000 ] - [ 0.0222853800000000, -0.0164501400000000, 0.0118483800000000 ] - [ -0.0006290500000000, -0.0003545300000000, 0.0002012800000000 ] - [ -0.0006886000000000, 0.0002436300000000, -0.0008320200000000 ] - [ -0.0001789200000000, 0.0000014100000000, -0.0000005500000000 ] - [ 0.0004244300000000, 0.0003009900000000, -0.0003981200000000 ] - [ 0.0002856000000000, -0.0001347700000000, -0.0000987600000000 ] - [ 0.0004530500000000, 0.0002751400000000, -0.0008117900000000 ] - [ 0.0000488900000000, -0.0005735100000000, -0.0002903000000000 ] - [ 0.0007572300000000, 0.0005218400000000, -0.0002072300000000 ] - [ 0.0009118800000000, -0.0000487500000000, -0.0004457200000000 ] - [ 0.0003996300000000, 0.0001166300000000, -0.0004138600000000 ] - [ 0.0001875600000000, -0.0000294400000000, -0.0001465700000000 ] - [ 0.0001227100000000, -0.0003755700000000, 0.0003219200000000 ] - [ 0.0001855400000000, -0.0004582400000000, 0.0003767600000000 ] - [ 0.0013151100000000, -0.0006259100000000, -0.0012000500000000 ] - [ 0.0005030500000000, 0.0000970500000000, -0.0003957600000000 ] - [ 0.0004556100000000, 0.0013048700000000, -0.0003010500000000 ] - [ 0.0007947700000000, -0.0010548800000000, -0.0012606300000000 ] - [ 0.0005423800000000, 0.0004023100000000, -0.0001779200000000 ] - [ 0.0002365600000000, 0.0001485900000000, -0.0000748100000000 ] - [ 0.0011263900000000, 0.0002041800000000, -0.0007417800000000 ] - [ 0.0004700600000000, -0.0002295400000000, -0.0002672000000000 ] - [ -0.0008857800000000, 0.0007430100000000, 0.0007999300000000 ] - [ 0.0076657800000000, -0.0133258600000000, 0.0025225400000000 ] - [ 0.0007056800000000, -0.0004313300000000, -0.0009213500000000 ] - [ 0.0007105800000000, -0.0001736900000000, -0.0006122900000000 ] - [ 0.0004107200000000, -0.0003177400000000, -0.0005524700000000 ] - [ 0.0003267300000000, -0.0002261200000000, -0.0006263600000000 ] - [ 0.0005363700000000, 0.0003952500000000, -0.0009250200000000 ] - [ 0.0001996000000000, -0.0002234500000000, -0.0004823800000000 ] - [ 0.0005591900000000, -0.0004287800000000, -0.0002178300000000 ] - [ 0.0005850700000000, 0.0001452100000000, -0.0005890000000000 ] - [ 0.0041495100000000, 0.0052492300000000, 0.0038098000000000 ] - [ 0.0004627200000000, -0.0017937600000000, 0.0013539300000000 ] - [ 0.0017110100000000, -0.0289454300000000, -0.0267631100000000 ] - [ -0.0005105800000000, 0.0005208100000000, 0.0007100500000000 ] - [ 0.0012658700000000, 0.0002698000000000, -0.0004596200000000 ] - [ 0.0008124500000000, -0.0010089600000000, -0.0003353600000000 ] - [ 0.0004149000000000, 0.0004095800000000, -0.0007661900000000 ] - [ 0.0008518600000000, -0.0001483000000000, -0.0011981700000000 ] - [ 0.0002607800000000, -0.0000768200000000, -0.0000087200000000 ] - [ 0.0006419600000000, -0.0000900700000000, 0.0001085400000000 ] - [ -0.0003812100000000, -0.0008302900000000, -0.0026086200000000 ] - [ 0.0002007700000000, 0.0006172200000000, -0.0008998900000000 ] - [ -0.0015472300000000, -0.0034021600000000, 0.0014147900000000 ] - [ -0.0040286500000000, 0.0089140000000000, -0.0026445400000000 ]- atom: 67 displacement: [ 0.0099999989202427, 0.0000000000000000, 0.0000046470576681 ] forces: - [ -0.0000268600000000, -0.0004044100000000, -0.0005267300000000 ] - [ -0.0004841100000000, 0.0009936400000000, -0.0016115200000000 ] - [ -0.0006666400000000, -0.0002765700000000, 0.0006189000000000 ] - [ -0.0005573200000000, 0.0001141600000000, 0.0005485000000000 ] - [ 0.0000239400000000, -0.0002407400000000, 0.0004946100000000 ] - [ -0.0004134200000000, 0.0001979500000000, 0.0016197000000000 ] - [ 0.0021128900000000, 0.0013399600000000, -0.0009393300000000 ] - [ 0.0023719200000000, -0.0012572900000000, -0.0009683400000000 ] - [ -0.0017496500000000, 0.0009638200000000, 0.0009499600000000 ] - [ -0.0005339000000000, -0.0004288000000000, 0.0003943700000000 ] - [ 0.0038663600000000, -0.0000247300000000, 0.0010280100000000 ] - [ 0.0004926500000000, -0.0000781200000000, -0.0002688700000000 ] - [ 0.0008407400000000, 0.0000179800000000, -0.0007033700000000 ] - [ 0.0003363000000000, -0.0000839300000000, -0.0003362900000000 ] - [ -0.0011312000000000, 0.0001265500000000, 0.0001746200000000 ] - [ -0.0005258000000000, -0.0000765800000000, 0.0001471000000000 ] - [ -0.0000853600000000, 0.0011795700000000, -0.0008854500000000 ] - [ 0.0000358600000000, -0.0000670700000000, -0.0002070200000000 ] - [ -0.0006581100000000, 0.0010669400000000, 0.0067270800000000 ] - [ -0.0007301900000000, -0.0002466700000000, 0.0013566200000000 ] - [ -0.0070453000000000, -0.0128807700000000, -0.0021882700000000 ] - [ -0.0003882400000000, 0.0019057800000000, -0.0006262100000000 ] - [ 0.0001037900000000, -0.0030451500000000, 0.0007601200000000 ] - [ -0.0069557000000000, 0.0082263500000000, -0.0012849900000000 ] - [ -0.0040893800000000, -0.0016684200000000, 0.0057011900000000 ] - [ 0.0009211400000000, 0.0022060300000000, 0.0007562500000000 ] - [ 0.0299136600000000, 0.0018189500000000, -0.0115414900000000 ] - [ 0.0010107700000000, -0.0002114400000000, -0.0008550800000000 ] - [ -0.0009796600000000, 0.0031579700000000, 0.0027622200000000 ] - [ 0.0016075100000000, -0.0021172200000000, 0.0018439300000000 ] - [ 0.0005753100000000, -0.0001217200000000, -0.0018419600000000 ] - [ 0.0005304200000000, -0.0001698400000000, -0.0015530300000000 ] - [ -0.0002589800000000, 0.0002944500000000, 0.0004120800000000 ] - [ -0.0035705200000000, -0.0010449200000000, -0.0005764300000000 ] - [ -0.0021127200000000, 0.0007044100000000, -0.0009702400000000 ] - [ -0.0005585600000000, -0.0004445100000000, -0.0002149300000000 ] - [ -0.0005562500000000, 0.0001305800000000, -0.0003704700000000 ] - [ -0.0009438400000000, -0.0004145700000000, -0.0007649700000000 ] - [ -0.0008715700000000, -0.0003151700000000, 0.0005083500000000 ] - [ -0.0006297400000000, 0.0001598600000000, 0.0004845800000000 ] - [ -0.0035001500000000, 0.0008880000000000, 0.0031904200000000 ] - [ -0.0010468400000000, -0.0004086700000000, 0.0009232900000000 ] - [ 0.0012324600000000, 0.0000698800000000, 0.0009710000000000 ] - [ 0.0000723900000000, -0.0000979400000000, 0.0004431600000000 ] - [ 0.1063589900000000, 0.0044173400000000, -0.0191523500000000 ] - [ 0.0014055100000000, -0.0003772400000000, -0.0009390400000000 ] - [ -0.0027293100000000, -0.0000310300000000, -0.0016627100000000 ] - [ -0.0001295800000000, 0.0000233400000000, -0.0007273300000000 ] - [ 0.0002984500000000, 0.0016097500000000, -0.0011813000000000 ] - [ 0.0001669500000000, -0.0021271800000000, -0.0017521800000000 ] - [ 0.0000177300000000, 0.0007463400000000, -0.0001591700000000 ] - [ -0.0002315900000000, -0.0008822000000000, 0.0000664600000000 ] - [ -0.0009576200000000, 0.0003563500000000, 0.0004407900000000 ] - [ -0.0011714000000000, -0.0003408800000000, -0.0002456900000000 ] - [ -0.0002005600000000, 0.0010692400000000, 0.0006032400000000 ] - [ -0.0042067900000000, -0.0119131400000000, 0.0046842600000000 ] - [ 0.0009120200000000, 0.0019741900000000, -0.0006521200000000 ] - [ 0.0007006900000000, -0.0037285000000000, -0.0018464400000000 ] - [ 0.0536811200000000, 0.0133897100000000, 0.0093746300000000 ] - [ -0.0005380100000000, -0.0001335000000000, 0.0002470200000000 ] - [ -0.0007655700000000, 0.0005050100000000, -0.0000178300000000 ] - [ -0.0005985100000000, 0.0002131500000000, 0.0000225400000000 ] - [ 0.0008338800000000, -0.0009171300000000, 0.0009759500000000 ] - [ 0.0000934000000000, -0.0003386700000000, 0.0006173500000000 ] - [ 0.0020606200000000, 0.0001942500000000, -0.0018461100000000 ] - [ 0.0002611700000000, -0.0002147500000000, -0.0003514000000000 ] - [ -0.2230125500000000, -0.0101298200000000, 0.0834333000000000 ] - [ -0.0009032800000000, 0.0001294700000000, 0.0006573600000000 ] - [ 0.0010804700000000, 0.0006802500000000, 0.0001899600000000 ] - [ 0.0005005400000000, 0.0001250900000000, 0.0001767000000000 ] - [ 0.0001524600000000, 0.0036749300000000, -0.0006408100000000 ] - [ 0.0008690900000000, -0.0028678300000000, 0.0012874900000000 ] - [ -0.0051217400000000, -0.0037092400000000, -0.0035836200000000 ] - [ -0.0007996200000000, 0.0007882300000000, 0.0002546200000000 ] - [ 0.0043646000000000, 0.0011870000000000, -0.0028255400000000 ] - [ 0.0006336200000000, -0.0003469700000000, -0.0001899300000000 ] - [ -0.0006521000000000, -0.0007844800000000, -0.0002903600000000 ] - [ -0.0000595100000000, -0.0002988700000000, -0.0004517100000000 ] - [ 0.0004014500000000, 0.0008040100000000, -0.0005565600000000 ] - [ 0.0023317200000000, -0.0011020600000000, -0.0012237300000000 ] - [ -0.0002719900000000, 0.0001770200000000, -0.0026898000000000 ] - [ -0.0004173000000000, -0.0002783300000000, -0.0008486300000000 ] - [ -0.0000647200000000, -0.0000422800000000, 0.0004099300000000 ] - [ -0.0035613800000000, 0.0005059400000000, 0.0016379600000000 ] - [ -0.0000234900000000, -0.0000693100000000, -0.0008829400000000 ] - [ 0.0006985300000000, 0.0017449100000000, -0.0059907900000000 ] - [ -0.0006924300000000, 0.0007075100000000, 0.0004107900000000 ] - [ 0.0210918600000000, -0.0210170900000000, -0.0218507200000000 ] - [ 0.0087938000000000, 0.0139793300000000, -0.0203389300000000 ] - [ -0.0008774300000000, -0.0003228900000000, 0.0003425000000000 ] - [ 0.0033666800000000, 0.0017634000000000, 0.0035414600000000 ] - [ 0.0004575100000000, -0.0003817000000000, 0.0008469100000000 ] - [ 0.0023392400000000, -0.0003897600000000, -0.0026659200000000 ] - [ 0.0007073600000000, 0.0001930300000000, -0.0008709100000000 ] - [ 0.0004489800000000, -0.0006295400000000, -0.0020232600000000 ] - [ 0.0003761400000000, 0.0009204100000000, -0.0010145500000000 ] - [ 0.0004227400000000, 0.0001344900000000, 0.0006280700000000 ] - [ -0.0000417800000000, 0.0001278200000000, 0.0003045200000000 ] - [ 0.0005956800000000, -0.0000740200000000, -0.0000670100000000 ] - [ 0.0014474200000000, 0.0008155400000000, 0.0003981800000000 ] - [ -0.0004460000000000, 0.0004506100000000, -0.0010265400000000 ] - [ 0.0000247200000000, 0.0000300000000000, -0.0001563600000000 ] - [ 0.0003030000000000, -0.0016097100000000, -0.0001448700000000 ] - [ -0.0009412500000000, 0.0032250900000000, -0.0007871600000000 ] - [ 0.0002908900000000, -0.0003611000000000, 0.0006530900000000 ] - [ 0.0003340700000000, 0.0005107600000000, 0.0007877600000000 ] - [ 0.0010322900000000, 0.0001948400000000, -0.0006069000000000 ] - [ 0.0010299500000000, 0.0001378700000000, -0.0004119200000000 ] - [ 0.0145977000000000, 0.0084691900000000, -0.0203580900000000 ] - [ -0.0001088100000000, 0.0000018400000000, -0.0000226200000000 ] - [ 0.0012781200000000, -0.0004703400000000, 0.0003115200000000 ] - [ 0.0003641600000000, 0.0000676000000000, -0.0001687600000000 ] - [ 0.0000121100000000, 0.0001883700000000, -0.0000553100000000 ] - [ 0.0001277100000000, -0.0003916000000000, -0.0001695100000000 ] - [ 0.0002750800000000, -0.0004810000000000, -0.0000017500000000 ] - [ 0.0021336500000000, 0.0019123200000000, 0.0011462800000000 ] - [ -0.0001513100000000, -0.0013005500000000, -0.0010320400000000 ] - [ -0.0004433000000000, -0.0002680800000000, -0.0005068700000000 ] - [ 0.0011255900000000, -0.0016100500000000, 0.0008101300000000 ] - [ 0.0000137800000000, 0.0006508800000000, -0.0000177700000000 ] - [ -0.0001620500000000, -0.0001965500000000, 0.0002092300000000 ] - [ -0.0004708400000000, 0.0000115900000000, 0.0001143800000000 ] - [ 0.0004792600000000, 0.0001977500000000, -0.0005094100000000 ] - [ 0.0005139300000000, 0.0002335100000000, -0.0002722100000000 ] - [ 0.0000938600000000, 0.0003388000000000, 0.0017071600000000 ] - [ -0.0003580100000000, 0.0003236300000000, 0.0006744300000000 ] - [ 0.0010908500000000, -0.0008324700000000, 0.0000818200000000 ] - [ 0.0006101000000000, -0.0000654700000000, 0.0002661400000000 ] - [ 0.0001116400000000, -0.0000572600000000, -0.0000839000000000 ] - [ 0.0003325500000000, 0.0002175100000000, -0.0000672500000000 ] - [ 0.0002871200000000, -0.0003302100000000, -0.0001856000000000 ] - [ 0.0031863800000000, 0.0018032900000000, 0.0000647700000000 ] - [ -0.0007129700000000, -0.0004522100000000, 0.0013734800000000 ] - [ -0.0007147600000000, 0.0007539700000000, 0.0013538000000000 ] - [ 0.0000403500000000, -0.0000208800000000, 0.0004168600000000 ] - [ 0.0000001900000000, -0.0002181600000000, 0.0010203400000000 ]- atom: 67 displacement: [ -0.0099999989202427, 0.0000000000000000, -0.0000046470576681 ] forces: - [ -0.0002339200000000, 0.0004043600000000, 0.0006151800000000 ] - [ 0.0002161400000000, -0.0010068200000000, 0.0017091500000000 ] - [ 0.0009655400000000, 0.0002520800000000, -0.0006968700000000 ] - [ 0.0008547100000000, -0.0001418000000000, -0.0006242600000000 ] - [ 0.0002358000000000, 0.0002400600000000, -0.0005830000000000 ] - [ 0.0006756100000000, -0.0002051300000000, -0.0017143500000000 ] - [ -0.0024092300000000, -0.0013801200000000, 0.0010246700000000 ] - [ -0.0026658100000000, 0.0012437800000000, 0.0010516600000000 ] - [ 0.0015019400000000, -0.0009699500000000, -0.0008676500000000 ] - [ 0.0002815200000000, 0.0004260800000000, -0.0003116500000000 ] - [ -0.0035251600000000, -0.0000078400000000, -0.0009526800000000 ] - [ -0.0002027200000000, 0.0000522500000000, 0.0002031300000000 ] - [ -0.0006003300000000, -0.0000248100000000, 0.0006168600000000 ] - [ -0.0000846500000000, 0.0000835000000000, 0.0002517100000000 ] - [ 0.0008466400000000, -0.0001548700000000, -0.0001099900000000 ] - [ 0.0002366200000000, 0.0000505100000000, -0.0000810600000000 ] - [ 0.0000836800000000, -0.0010995500000000, 0.0008864300000000 ] - [ -0.0000369000000000, 0.0001619400000000, 0.0002068500000000 ] - [ 0.0001665300000000, -0.0008765300000000, -0.0066123600000000 ] - [ 0.0002117400000000, 0.0004460000000000, -0.0012194800000000 ] - [ 0.0074877500000000, 0.0129759100000000, 0.0025608100000000 ] - [ 0.0008324500000000, -0.0019095700000000, 0.0009932400000000 ] - [ -0.0001052000000000, 0.0033602700000000, -0.0007604900000000 ] - [ 0.0069833400000000, -0.0079836000000000, 0.0012942100000000 ] - [ 0.0036808700000000, 0.0016742900000000, -0.0060948900000000 ] - [ -0.0013726300000000, -0.0022172000000000, -0.0011217400000000 ] - [ -0.0296572800000000, -0.0017099000000000, 0.0121933600000000 ] - [ -0.0004826900000000, 0.0004119400000000, 0.0007175400000000 ] - [ 0.0010624300000000, -0.0031275200000000, -0.0028097100000000 ] - [ -0.0015901000000000, 0.0022396300000000, -0.0018507000000000 ] - [ -0.0011039700000000, 0.0003149900000000, 0.0020026300000000 ] - [ -0.0010666600000000, 0.0003590800000000, 0.0017086600000000 ] - [ 0.0007088200000000, -0.0002843400000000, -0.0000385200000000 ] - [ 0.0040195400000000, 0.0010531900000000, 0.0009592600000000 ] - [ 0.0021080100000000, -0.0004292300000000, 0.0009689000000000 ] - [ 0.0005580300000000, 0.0007300100000000, 0.0002150500000000 ] - [ 0.0001049500000000, -0.0001191400000000, -0.0000043800000000 ] - [ 0.0004878100000000, 0.0004238200000000, 0.0003736200000000 ] - [ 0.0014016100000000, 0.0005050600000000, -0.0006684400000000 ] - [ 0.0011577300000000, 0.0000345900000000, -0.0006420200000000 ] - [ 0.0032606000000000, -0.0009821300000000, -0.0030905900000000 ] - [ 0.0007861800000000, 0.0003384500000000, -0.0008013100000000 ] - [ -0.0020184500000000, 0.0001047100000000, -0.0008315400000000 ] - [ -0.0008464800000000, 0.0002700400000000, -0.0002933400000000 ] - [ -0.1140038400000000, -0.0052011600000000, 0.0234626000000000 ] - [ -0.0011481200000000, 0.0003069200000000, 0.0008186500000000 ] - [ 0.0035300900000000, 0.0002015900000000, 0.0015238000000000 ] - [ 0.0009010700000000, 0.0001456000000000, 0.0005831800000000 ] - [ -0.0005712100000000, -0.0016824700000000, 0.0013154000000000 ] - [ -0.0004387700000000, 0.0020508400000000, 0.0018815300000000 ] - [ -0.0008086600000000, -0.0005956600000000, 0.0003121900000000 ] - [ -0.0005342400000000, 0.0010541500000000, -0.0000299800000000 ] - [ 0.0012339600000000, -0.0004335200000000, -0.0005751800000000 ] - [ 0.0014493700000000, 0.0002680100000000, 0.0001099100000000 ] - [ 0.0009861200000000, -0.0009124900000000, -0.0007593800000000 ] - [ 0.0050159800000000, 0.0121316700000000, -0.0048549500000000 ] - [ -0.0012665300000000, -0.0020890500000000, 0.0008621500000000 ] - [ -0.0010459300000000, 0.0036816200000000, 0.0020689200000000 ] - [ -0.0549239900000000, -0.0134027700000000, -0.0095608700000000 ] - [ 0.0005090600000000, 0.0003343700000000, -0.0002182800000000 ] - [ 0.0006510300000000, -0.0001708500000000, 0.0000188900000000 ] - [ 0.0004919000000000, 0.0001257800000000, -0.0000248900000000 ] - [ -0.0010274200000000, 0.0002613000000000, -0.0001021800000000 ] - [ -0.0002799500000000, -0.0003246000000000, 0.0002587500000000 ] - [ -0.0020536000000000, 0.0000225900000000, 0.0018263000000000 ] - [ -0.0002353000000000, 0.0004228500000000, 0.0003193100000000 ] - [ 0.2326844600000000, 0.0111300000000000, -0.0893951100000000 ] - [ 0.0010892300000000, 0.0000493200000000, -0.0007936500000000 ] - [ -0.0009727400000000, -0.0003471400000000, -0.0001865100000000 ] - [ -0.0003676000000000, 0.0002175600000000, -0.0001788200000000 ] - [ 0.0001825900000000, -0.0037879900000000, 0.0004357300000000 ] - [ -0.0005399500000000, 0.0028079800000000, -0.0015067200000000 ] - [ 0.0047089900000000, 0.0037869800000000, 0.0038018500000000 ] - [ 0.0004376600000000, -0.0008422400000000, -0.0001899800000000 ] - [ -0.0040347700000000, -0.0011592300000000, 0.0028151400000000 ] - [ -0.0002503300000000, 0.0003895700000000, 0.0001328100000000 ] - [ 0.0008412500000000, 0.0001268000000000, -0.0005804100000000 ] - [ 0.0002469600000000, -0.0003631200000000, -0.0004234400000000 ] - [ -0.0008426000000000, -0.0013098200000000, 0.0001772000000000 ] - [ -0.0027782300000000, 0.0006160300000000, 0.0008496900000000 ] - [ 0.0003556000000000, -0.0003998100000000, 0.0026534400000000 ] - [ 0.0005010400000000, 0.0000597600000000, 0.0007774500000000 ] - [ 0.0007107200000000, 0.0003339100000000, -0.0002097600000000 ] - [ 0.0042181500000000, -0.0002502800000000, -0.0012527100000000 ] - [ -0.0006180100000000, 0.0003658100000000, 0.0006872100000000 ] - [ -0.0013422300000000, -0.0014558200000000, 0.0057992500000000 ] - [ 0.0011357000000000, -0.0012139800000000, -0.0000336200000000 ] - [ -0.0208473000000000, 0.0208024200000000, 0.0225761700000000 ] - [ -0.0092206900000000, -0.0141203600000000, 0.0206012600000000 ] - [ 0.0005010600000000, 0.0003669200000000, -0.0002952200000000 ] - [ -0.0034813300000000, -0.0020124000000000, -0.0035148000000000 ] - [ -0.0005382900000000, 0.0001622800000000, -0.0007710800000000 ] - [ -0.0025401700000000, 0.0005730300000000, 0.0028103900000000 ] - [ -0.0008931600000000, -0.0000139800000000, 0.0009973100000000 ] - [ -0.0001013500000000, 0.0005767000000000, 0.0019749900000000 ] - [ -0.0000180100000000, -0.0009776200000000, 0.0009539200000000 ] - [ -0.0007550500000000, -0.0002228300000000, -0.0004202900000000 ] - [ -0.0002918100000000, -0.0002111100000000, -0.0000979400000000 ] - [ -0.0006311800000000, 0.0002741000000000, 0.0001002200000000 ] - [ -0.0014856100000000, -0.0006200700000000, -0.0003677800000000 ] - [ 0.0003044500000000, -0.0001076200000000, 0.0010563000000000 ] - [ -0.0001520400000000, 0.0003170100000000, 0.0001598200000000 ] - [ -0.0005071100000000, 0.0009695600000000, 0.0010245500000000 ] - [ 0.0007437400000000, -0.0038963800000000, 0.0016666000000000 ] - [ -0.0002600300000000, 0.0005681000000000, -0.0006860000000000 ] - [ -0.0003066900000000, -0.0002996100000000, -0.0008168700000000 ] - [ -0.0008594400000000, -0.0000169500000000, 0.0004837500000000 ] - [ -0.0008600000000000, 0.0000399000000000, 0.0003093200000000 ] - [ -0.0143773300000000, -0.0081313900000000, 0.0201823700000000 ] - [ 0.0002228200000000, 0.0003395700000000, 0.0000232200000000 ] - [ -0.0009501100000000, 0.0003964600000000, -0.0005177500000000 ] - [ -0.0000339200000000, -0.0001424900000000, -0.0000401400000000 ] - [ -0.0003769800000000, -0.0002333700000000, 0.0001257700000000 ] - [ -0.0004948900000000, 0.0003407800000000, 0.0002375300000000 ] - [ 0.0001105000000000, 0.0005202700000000, -0.0000598100000000 ] - [ -0.0017402200000000, -0.0018698900000000, -0.0012086000000000 ] - [ 0.0003394400000000, 0.0006663600000000, 0.0001723400000000 ] - [ 0.0006173800000000, -0.0004154500000000, -0.0003465600000000 ] - [ -0.0015514900000000, 0.0011186700000000, -0.0011926800000000 ] - [ -0.0004484600000000, -0.0011466700000000, -0.0003647200000000 ] - [ 0.0002560100000000, -0.0000220800000000, -0.0002785600000000 ] - [ 0.0005862500000000, -0.0002367800000000, -0.0001416900000000 ] - [ 0.0001599500000000, 0.0000855200000000, 0.0007252800000000 ] - [ 0.0001180800000000, 0.0000634700000000, 0.0004743500000000 ] - [ -0.0007352100000000, -0.0000543700000000, -0.0019247200000000 ] - [ -0.0002848800000000, -0.0000432800000000, -0.0008875300000000 ] - [ -0.0006606200000000, 0.0003425100000000, 0.0003031100000000 ] - [ -0.0001753000000000, -0.0004317800000000, 0.0001174100000000 ] - [ -0.0004915200000000, 0.0000996900000000, 0.0001376200000000 ] - [ -0.0007066300000000, -0.0001759800000000, 0.0001193700000000 ] - [ -0.0003783700000000, 0.0001123200000000, 0.0002641500000000 ] - [ -0.0032853500000000, -0.0020301300000000, 0.0000136100000000 ] - [ 0.0005394600000000, 0.0006298600000000, -0.0012558500000000 ] - [ 0.0005381600000000, -0.0005730300000000, -0.0012250200000000 ] - [ 0.0003262400000000, -0.0000242300000000, -0.0004885300000000 ] - [ 0.0003657100000000, 0.0001889000000000, -0.0010954100000000 ]- atom: 67 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002414600000000, -0.0003318200000000, -0.0000156300000000 ] - [ 0.0003456800000000, 0.0004563800000000, -0.0000265000000000 ] - [ 0.0000274100000000, -0.0000590900000000, -0.0001488800000000 ] - [ 0.0002284600000000, -0.0000393900000000, 0.0000539400000000 ] - [ 0.0001562400000000, -0.0003914000000000, 0.0000864100000000 ] - [ 0.0000976600000000, 0.0004155200000000, -0.0004352600000000 ] - [ 0.0003062200000000, -0.0029986400000000, 0.0004666600000000 ] - [ -0.0005278100000000, -0.0017004500000000, -0.0002500600000000 ] - [ -0.0001440700000000, 0.0004090400000000, 0.0001537200000000 ] - [ -0.0002458400000000, -0.0003143800000000, 0.0000399600000000 ] - [ 0.0001878500000000, 0.0016285100000000, -0.0002739800000000 ] - [ 0.0001126900000000, -0.0006140200000000, -0.0000643000000000 ] - [ -0.0001772800000000, 0.0004150900000000, -0.0004440000000000 ] - [ 0.0001876800000000, -0.0003520100000000, 0.0000576700000000 ] - [ -0.0002208200000000, 0.0002154900000000, 0.0000898500000000 ] - [ -0.0001334300000000, -0.0002058000000000, 0.0000292700000000 ] - [ 0.0001616400000000, 0.0010595700000000, -0.0000326300000000 ] - [ -0.0000863700000000, -0.0007879700000000, 0.0000638400000000 ] - [ -0.0008244700000000, 0.0021315100000000, 0.0007523600000000 ] - [ -0.0000231300000000, -0.0011445500000000, -0.0000219300000000 ] - [ -0.0023715400000000, -0.0013204900000000, -0.0000945300000000 ] - [ 0.0007726200000000, -0.0016566400000000, 0.0003760100000000 ] - [ -0.0005976300000000, -0.0019685600000000, -0.0003467800000000 ] - [ 0.0054569300000000, -0.0015087000000000, 0.0021576300000000 ] - [ -0.0040356700000000, 0.0007464200000000, 0.0024404800000000 ] - [ -0.0002591400000000, -0.0016350700000000, -0.0007009700000000 ] - [ 0.0016044700000000, 0.0185668200000000, -0.0014631700000000 ] - [ 0.0001663100000000, -0.0021586200000000, 0.0000097500000000 ] - [ 0.0041957100000000, -0.0022179900000000, -0.0028204500000000 ] - [ -0.0003444300000000, -0.0016963200000000, 0.0011941900000000 ] - [ 0.0000988800000000, -0.0002131900000000, 0.0009407100000000 ] - [ -0.0003726900000000, 0.0002488800000000, -0.0011122800000000 ] - [ 0.0007267700000000, -0.0006051100000000, 0.0001743100000000 ] - [ -0.0010664700000000, 0.0006354100000000, 0.0004188100000000 ] - [ 0.0004710800000000, 0.0014268200000000, -0.0000075200000000 ] - [ -0.0003192900000000, -0.0008268300000000, -0.0000078800000000 ] - [ -0.0002823500000000, -0.0006303800000000, -0.0004177700000000 ] - [ -0.0001108000000000, 0.0006887900000000, 0.0003966700000000 ] - [ 0.0002106200000000, -0.0001928400000000, 0.0001245800000000 ] - [ 0.0002494400000000, 0.0002533500000000, -0.0000330900000000 ] - [ -0.0006289300000000, 0.0016545200000000, -0.0006416400000000 ] - [ -0.0000086700000000, -0.0010182400000000, 0.0002792700000000 ] - [ 0.0007149200000000, 0.0005109200000000, 0.0007290600000000 ] - [ -0.0005831800000000, -0.0004272500000000, -0.0000884600000000 ] - [ 0.0045115700000000, 0.0399838100000000, -0.0016488400000000 ] - [ 0.0001365300000000, -0.0018115000000000, -0.0001419900000000 ] - [ -0.0002022500000000, 0.0003319300000000, -0.0000509000000000 ] - [ 0.0007436500000000, -0.0001742800000000, -0.0002505000000000 ] - [ 0.0006234700000000, -0.0002442200000000, -0.0000046200000000 ] - [ -0.0007647600000000, -0.0006547700000000, -0.0001414900000000 ] - [ -0.0009114800000000, -0.0012325800000000, 0.0002312800000000 ] - [ -0.0014637900000000, 0.0005652100000000, 0.0050399400000000 ] - [ 0.0001302200000000, 0.0000556400000000, 0.0000377600000000 ] - [ -0.0000701200000000, -0.0002803500000000, -0.0001403100000000 ] - [ 0.0008303200000000, -0.0013348600000000, -0.0003463000000000 ] - [ -0.0007243800000000, -0.0002900800000000, 0.0010072800000000 ] - [ 0.0009743200000000, 0.0014619200000000, -0.0001030100000000 ] - [ -0.0008311900000000, 0.0018991600000000, 0.0009292600000000 ] - [ 0.0106378200000000, -0.0075390600000000, 0.0008932500000000 ] - [ 0.0001279800000000, 0.0008734000000000, 0.0001121400000000 ] - [ -0.0003412700000000, 0.0002375500000000, -0.0003956700000000 ] - [ -0.0000570100000000, 0.0003776100000000, 0.0003749800000000 ] - [ 0.0000866500000000, -0.0008135200000000, 0.0004131600000000 ] - [ -0.0002491000000000, 0.0000995800000000, 0.0004677900000000 ] - [ 0.0015049100000000, -0.0020729900000000, 0.0001815700000000 ] - [ -0.0002944300000000, 0.0008979800000000, -0.0001153200000000 ] - [ -0.0108312500000000, -0.0578422100000000, 0.0023184000000000 ] - [ 0.0001246800000000, 0.0013546600000000, -0.0000933700000000 ] - [ 0.0001950500000000, 0.0002214500000000, -0.0000374700000000 ] - [ -0.0000300400000000, 0.0001868600000000, 0.0000109000000000 ] - [ 0.0009261100000000, 0.0003903500000000, -0.0000546900000000 ] - [ -0.0009740200000000, 0.0011228300000000, -0.0005469800000000 ] - [ -0.0028928600000000, 0.0034202800000000, 0.0119217400000000 ] - [ -0.0002266400000000, 0.0013303300000000, -0.0002028800000000 ] - [ 0.0007614500000000, -0.0005082000000000, -0.0004583600000000 ] - [ -0.0000424300000000, 0.0007234200000000, 0.0001877400000000 ] - [ -0.0002673500000000, -0.0010725800000000, -0.0005521000000000 ] - [ 0.0002508200000000, 0.0001748500000000, -0.0004173100000000 ] - [ 0.0000876600000000, 0.0006738800000000, -0.0003293400000000 ] - [ -0.0014712100000000, -0.0016687900000000, -0.0005188400000000 ] - [ 0.0001388600000000, -0.0001031200000000, -0.0017967600000000 ] - [ 0.0002130000000000, 0.0001886800000000, 0.0002388300000000 ] - [ 0.0002941200000000, 0.0010515500000000, -0.0000315900000000 ] - [ 0.0002084700000000, -0.0004374600000000, -0.0102432900000000 ] - [ -0.0003539300000000, 0.0007614600000000, 0.0002223800000000 ] - [ -0.0001895700000000, -0.0002341900000000, -0.0011431100000000 ] - [ 0.0003421300000000, 0.0011854800000000, 0.0003615500000000 ] - [ -0.0227939600000000, 0.0053877900000000, 0.0177351300000000 ] - [ 0.0165367900000000, 0.0057680100000000, -0.0195207100000000 ] - [ -0.0004978300000000, 0.0012310500000000, 0.0000749500000000 ] - [ 0.0004786400000000, -0.0000910000000000, 0.0004561000000000 ] - [ -0.0003074800000000, 0.0002085900000000, -0.0001741600000000 ] - [ 0.0003993300000000, -0.0004265500000000, 0.0000586800000000 ] - [ -0.0001882200000000, 0.0004477200000000, 0.0000605700000000 ] - [ -0.0006866300000000, -0.0013090300000000, 0.0007487500000000 ] - [ 0.0003144100000000, 0.0008914700000000, -0.0004199900000000 ] - [ -0.0003458600000000, -0.0008689500000000, -0.0001323000000000 ] - [ -0.0000711100000000, 0.0005302500000000, 0.0002573600000000 ] - [ -0.0001257600000000, 0.0001362100000000, -0.0000047600000000 ] - [ 0.0003419600000000, 0.0002209500000000, 0.0000152700000000 ] - [ 0.0007151100000000, -0.0014712100000000, -0.0009227700000000 ] - [ -0.0002631000000000, 0.0010575300000000, 0.0001040800000000 ] - [ -0.0010926200000000, 0.0009496300000000, 0.0010824400000000 ] - [ 0.0005616700000000, 0.0000522300000000, -0.0006176300000000 ] - [ -0.0003360400000000, 0.0003004700000000, -0.0001177100000000 ] - [ 0.0002117000000000, 0.0001569700000000, 0.0000840100000000 ] - [ 0.0001389700000000, 0.0001176800000000, -0.0001181600000000 ] - [ 0.0001943500000000, 0.0001159200000000, -0.0001382100000000 ] - [ 0.0021724100000000, -0.0026214700000000, -0.0028003400000000 ] - [ 0.0002653200000000, 0.0010541300000000, -0.0001084000000000 ] - [ 0.0003625100000000, -0.0008010000000000, 0.0000463400000000 ] - [ 0.0000873100000000, 0.0005258700000000, -0.0002353800000000 ] - [ -0.0002244000000000, 0.0003234800000000, 0.0000525900000000 ] - [ -0.0001020600000000, -0.0003944500000000, -0.0000533300000000 ] - [ -0.0002133200000000, 0.0003734600000000, 0.0000513900000000 ] - [ 0.0014512000000000, 0.0000544200000000, 0.0001282100000000 ] - [ 0.0003022700000000, 0.0013068600000000, 0.0004515500000000 ] - [ 0.0004340300000000, 0.0002781800000000, -0.0013594100000000 ] - [ -0.0010824800000000, -0.0006711900000000, -0.0003010400000000 ] - [ 0.0001885000000000, 0.0003986700000000, -0.0002570000000000 ] - [ 0.0002794900000000, 0.0002261900000000, 0.0001174100000000 ] - [ -0.0008623400000000, -0.0002112900000000, -0.0015259400000000 ] - [ 0.0001284200000000, 0.0001261100000000, -0.0003107000000000 ] - [ 0.0003562200000000, 0.0002569400000000, 0.0002078700000000 ] - [ -0.0003198800000000, -0.0000021500000000, -0.0002535800000000 ] - [ -0.0003168300000000, 0.0003309200000000, 0.0002155200000000 ] - [ 0.0001759300000000, -0.0005375500000000, 0.0001806400000000 ] - [ 0.0002679900000000, 0.0000445000000000, 0.0002092300000000 ] - [ -0.0001768900000000, 0.0001368200000000, 0.0000937900000000 ] - [ -0.0000847900000000, -0.0000051500000000, -0.0002264200000000 ] - [ -0.0003578800000000, 0.0002536500000000, -0.0000440600000000 ] - [ 0.0005518600000000, -0.0001848800000000, 0.0000786500000000 ] - [ -0.0007501300000000, 0.0003628900000000, -0.0005915100000000 ] - [ 0.0004539700000000, 0.0003602100000000, 0.0009806100000000 ] - [ 0.0002311400000000, 0.0005167300000000, -0.0003084300000000 ] - [ 0.0000636200000000, -0.0006089700000000, 0.0002784500000000 ]- atom: 67 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000140700000000, 0.0003258600000000, 0.0000974200000000 ] - [ -0.0006026200000000, -0.0004542800000000, 0.0001039400000000 ] - [ 0.0002600500000000, 0.0000303800000000, 0.0000828200000000 ] - [ 0.0000595700000000, 0.0000147500000000, -0.0001210600000000 ] - [ 0.0001002300000000, 0.0003863700000000, -0.0001688200000000 ] - [ 0.0001580100000000, -0.0004183500000000, 0.0003570300000000 ] - [ -0.0005925900000000, 0.0029157800000000, -0.0004037100000000 ] - [ 0.0002482700000000, 0.0018022000000000, 0.0003143100000000 ] - [ -0.0001170300000000, -0.0004120100000000, -0.0000678300000000 ] - [ -0.0000134900000000, 0.0003104300000000, 0.0000451000000000 ] - [ 0.0000975900000000, -0.0016528100000000, 0.0001875300000000 ] - [ 0.0001779900000000, 0.0005870200000000, -0.0000083400000000 ] - [ 0.0004377300000000, -0.0004190800000000, 0.0003573800000000 ] - [ 0.0000710700000000, 0.0003486200000000, -0.0001418900000000 ] - [ -0.0000739100000000, -0.0002408200000000, -0.0000204000000000 ] - [ -0.0001589700000000, 0.0001791700000000, 0.0000404700000000 ] - [ -0.0001625300000000, -0.0009604800000000, 0.0000327500000000 ] - [ 0.0000855100000000, 0.0008793000000000, -0.0000645000000000 ] - [ 0.0002958200000000, -0.0019474300000000, -0.0005802200000000 ] - [ -0.0005007000000000, 0.0013345800000000, 0.0001787500000000 ] - [ 0.0027845500000000, 0.0012505000000000, 0.0004408400000000 ] - [ -0.0003270600000000, 0.0016675800000000, -0.0000158000000000 ] - [ 0.0006049200000000, 0.0022328900000000, 0.0003481200000000 ] - [ -0.0054927500000000, 0.0018395600000000, -0.0021687600000000 ] - [ 0.0035644000000000, -0.0007448900000000, -0.0027482100000000 ] - [ -0.0001761000000000, 0.0016538800000000, 0.0003364200000000 ] - [ -0.0010167800000000, -0.0184217500000000, 0.0022373100000000 ] - [ 0.0003567300000000, 0.0023449600000000, -0.0001550500000000 ] - [ -0.0041933300000000, 0.0023097500000000, 0.0028259800000000 ] - [ 0.0003477200000000, 0.0017851000000000, -0.0011789600000000 ] - [ -0.0006178100000000, 0.0003967100000000, -0.0007937500000000 ] - [ -0.0001503700000000, -0.0000545800000000, 0.0012569400000000 ] - [ -0.0002849300000000, 0.0006121700000000, 0.0001906400000000 ] - [ 0.0015044600000000, -0.0006204200000000, -0.0000508900000000 ] - [ -0.0004746100000000, -0.0011438600000000, 0.0000078600000000 ] - [ 0.0003149000000000, 0.0011083400000000, 0.0000083100000000 ] - [ -0.0001639500000000, 0.0006384100000000, 0.0000515100000000 ] - [ -0.0003395900000000, -0.0006720000000000, -0.0007690400000000 ] - [ 0.0003052600000000, 0.0003764800000000, -0.0002764100000000 ] - [ 0.0002707000000000, -0.0000591600000000, -0.0001196300000000 ] - [ 0.0003453800000000, -0.0017236300000000, 0.0007871600000000 ] - [ -0.0002648000000000, 0.0009404400000000, -0.0001456300000000 ] - [ -0.0014874600000000, -0.0003434700000000, -0.0005785700000000 ] - [ -0.0001915300000000, 0.0005992600000000, 0.0002395200000000 ] - [ -0.0037876200000000, -0.0399425200000000, 0.0014741500000000 ] - [ 0.0001452100000000, 0.0017330500000000, 0.0000071700000000 ] - [ 0.0009626100000000, -0.0001615500000000, -0.0001047700000000 ] - [ 0.0000303900000000, 0.0003448500000000, 0.0001011700000000 ] - [ -0.0008945800000000, 0.0001670700000000, 0.0001308700000000 ] - [ 0.0004939800000000, 0.0005794700000000, 0.0002667600000000 ] - [ 0.0001376300000000, 0.0014031800000000, -0.0000798200000000 ] - [ 0.0006878500000000, -0.0003996400000000, -0.0049032700000000 ] - [ 0.0001351100000000, -0.0001342200000000, -0.0001648500000000 ] - [ 0.0003375800000000, 0.0002053000000000, 0.0000125000000000 ] - [ -0.0000610200000000, 0.0015069500000000, 0.0002018300000000 ] - [ 0.0014945600000000, 0.0004551700000000, -0.0011453500000000 ] - [ -0.0013036800000000, -0.0015307400000000, 0.0003041400000000 ] - [ 0.0005040400000000, -0.0019928000000000, -0.0007331400000000 ] - [ -0.0104321000000000, 0.0078781000000000, -0.0008217900000000 ] - [ -0.0001649600000000, -0.0006688700000000, -0.0000832200000000 ] - [ 0.0002193300000000, 0.0001034200000000, 0.0003916100000000 ] - [ -0.0000598700000000, -0.0000424300000000, -0.0003777100000000 ] - [ -0.0002690000000000, 0.0001518600000000, 0.0004681000000000 ] - [ 0.0000595100000000, -0.0007561900000000, 0.0004083900000000 ] - [ -0.0014727200000000, 0.0022777700000000, -0.0002188600000000 ] - [ 0.0003314400000000, -0.0006979600000000, 0.0000885600000000 ] - [ 0.0104085700000000, 0.0577952800000000, -0.0033698200000000 ] - [ 0.0000449600000000, -0.0011738800000000, -0.0000277000000000 ] - [ -0.0000676200000000, 0.0001203600000000, 0.0000390400000000 ] - [ 0.0001530500000000, 0.0001484200000000, -0.0000072400000000 ] - [ -0.0005958000000000, -0.0004520000000000, -0.0001536900000000 ] - [ 0.0013064200000000, -0.0012203400000000, 0.0003525600000000 ] - [ 0.0025128100000000, -0.0034898600000000, -0.0119560900000000 ] - [ -0.0001393200000000, -0.0013746000000000, 0.0002672000000000 ] - [ -0.0003617400000000, 0.0005574200000000, 0.0003928000000000 ] - [ 0.0004233700000000, -0.0006832900000000, -0.0002414100000000 ] - [ 0.0004530000000000, 0.0004132200000000, -0.0003307300000000 ] - [ -0.0000614900000000, -0.0008320100000000, -0.0004572500000000 ] - [ -0.0005186700000000, -0.0011622000000000, -0.0000542600000000 ] - [ 0.0010479200000000, 0.0011691300000000, 0.0001312100000000 ] - [ -0.0000566100000000, -0.0001169600000000, 0.0017193300000000 ] - [ -0.0001336600000000, -0.0004108100000000, -0.0003232000000000 ] - [ 0.0003404500000000, -0.0007593200000000, 0.0002374200000000 ] - [ 0.0004046800000000, 0.0007292400000000, 0.0104042100000000 ] - [ -0.0002850800000000, -0.0004748900000000, -0.0004368900000000 ] - [ -0.0004466600000000, 0.0005210700000000, 0.0009166500000000 ] - [ 0.0000821600000000, -0.0016735100000000, 0.0000242800000000 ] - [ 0.0231494500000000, -0.0059632300000000, -0.0172118200000000 ] - [ -0.0170044500000000, -0.0056971000000000, 0.0196856700000000 ] - [ 0.0001052400000000, -0.0011930200000000, -0.0000089700000000 ] - [ -0.0005452600000000, -0.0001191300000000, -0.0003679200000000 ] - [ 0.0002238800000000, -0.0004309400000000, 0.0002521000000000 ] - [ -0.0005655600000000, 0.0006051200000000, 0.0000555700000000 ] - [ 0.0000164600000000, -0.0002662200000000, 0.0000630000000000 ] - [ 0.0010570500000000, 0.0012679400000000, -0.0008283300000000 ] - [ 0.0000506800000000, -0.0009321500000000, 0.0003439600000000 ] - [ 0.0000110600000000, 0.0007833700000000, 0.0003356200000000 ] - [ -0.0002660000000000, -0.0006142700000000, -0.0000483300000000 ] - [ 0.0000896600000000, 0.0000644700000000, 0.0000304200000000 ] - [ -0.0003703700000000, -0.0000170500000000, 0.0000123800000000 ] - [ -0.0008315000000000, 0.0018085600000000, 0.0009123400000000 ] - [ 0.0001482500000000, -0.0007183000000000, -0.0001092000000000 ] - [ 0.0009091000000000, -0.0016119300000000, -0.0002110100000000 ] - [ -0.0007448200000000, -0.0007101600000000, 0.0014826200000000 ] - [ 0.0003608000000000, -0.0000872600000000, 0.0000917200000000 ] - [ -0.0001790500000000, 0.0000460800000000, -0.0001104100000000 ] - [ 0.0000416200000000, 0.0000641100000000, -0.0000079800000000 ] - [ -0.0000158700000000, 0.0000627100000000, 0.0000161500000000 ] - [ -0.0019699100000000, 0.0029734300000000, 0.0027232800000000 ] - [ -0.0001410000000000, -0.0007135100000000, 0.0001082900000000 ] - [ -0.0000265600000000, 0.0007177300000000, -0.0002494900000000 ] - [ 0.0002446000000000, -0.0005955900000000, 0.0000252700000000 ] - [ -0.0001387900000000, -0.0003685700000000, 0.0000158600000000 ] - [ -0.0002625500000000, 0.0003453300000000, 0.0001223800000000 ] - [ 0.0006024300000000, -0.0003323100000000, -0.0001111300000000 ] - [ -0.0010651900000000, -0.0000160100000000, -0.0001801300000000 ] - [ -0.0001162500000000, -0.0019713000000000, -0.0013338300000000 ] - [ -0.0002505000000000, -0.0009428600000000, 0.0004812100000000 ] - [ 0.0006524700000000, 0.0001819300000000, -0.0000802800000000 ] - [ -0.0006230700000000, -0.0008940000000000, -0.0001251200000000 ] - [ -0.0001929100000000, -0.0004460300000000, -0.0001837200000000 ] - [ 0.0009487400000000, -0.0000106800000000, 0.0014544200000000 ] - [ 0.0005092800000000, 0.0001649200000000, 0.0005201100000000 ] - [ 0.0002811600000000, 0.0000327400000000, 0.0000010600000000 ] - [ -0.0003150800000000, 0.0002930200000000, 0.0000483200000000 ] - [ -0.0003244500000000, -0.0000460400000000, -0.0004253300000000 ] - [ 0.0002581900000000, 0.0000467200000000, 0.0002022000000000 ] - [ 0.0001721500000000, -0.0005426800000000, 0.0001732100000000 ] - [ -0.0001968900000000, -0.0000933100000000, -0.0000466300000000 ] - [ -0.0002933700000000, 0.0000473800000000, 0.0002788300000000 ] - [ 0.0002786800000000, -0.0004732300000000, 0.0001291900000000 ] - [ -0.0006261700000000, -0.0000319200000000, -0.0000018600000000 ] - [ 0.0005733200000000, -0.0001798400000000, 0.0007258200000000 ] - [ -0.0006299000000000, -0.0001818300000000, -0.0008421700000000 ] - [ 0.0001310100000000, -0.0005605600000000, 0.0002422800000000 ] - [ 0.0003019400000000, 0.0005642500000000, -0.0003491600000000 ]- atom: 67 displacement: [ -0.0066066504307377, 0.0000000000000000, 0.0075068082489187 ] forces: - [ -0.0005164600000000, 0.0002277700000000, 0.0006366000000000 ] - [ -0.0009240600000000, -0.0005160100000000, 0.0016012300000000 ] - [ 0.0012063000000000, 0.0000754700000000, -0.0010229700000000 ] - [ 0.0011699100000000, -0.0000459600000000, -0.0010410200000000 ] - [ 0.0004371700000000, 0.0004293100000000, -0.0008076700000000 ] - [ 0.0011648600000000, -0.0003799400000000, -0.0023258800000000 ] - [ -0.0021383700000000, -0.0002211400000000, 0.0027689300000000 ] - [ -0.0023893500000000, 0.0002526100000000, 0.0027241200000000 ] - [ 0.0022091600000000, -0.0011441600000000, -0.0007919600000000 ] - [ 0.0005657500000000, 0.0004857200000000, -0.0002804100000000 ] - [ -0.0010668400000000, -0.0002831600000000, 0.0030808400000000 ] - [ -0.0002880100000000, 0.0000493500000000, 0.0002877700000000 ] - [ -0.0015788300000000, -0.0002735000000000, -0.0001689900000000 ] - [ -0.0005023400000000, 0.0003391100000000, 0.0001338100000000 ] - [ 0.0007520500000000, -0.0001275400000000, -0.0003948800000000 ] - [ 0.0002521300000000, 0.0000420600000000, -0.0002400900000000 ] - [ -0.0003784100000000, -0.0012970900000000, -0.0007974200000000 ] - [ -0.0000700700000000, 0.0002500800000000, -0.0001363600000000 ] - [ 0.0023430700000000, -0.0005434400000000, -0.0089587600000000 ] - [ 0.0008093600000000, 0.0005161100000000, -0.0018427700000000 ] - [ 0.0054474600000000, 0.0075826900000000, 0.0031813200000000 ] - [ 0.0009026700000000, -0.0022807500000000, 0.0012369200000000 ] - [ 0.0003594800000000, 0.0040524500000000, 0.0013890400000000 ] - [ 0.0103522200000000, -0.0093842900000000, 0.0043269200000000 ] - [ 0.0076374100000000, 0.0018238300000000, -0.0092224200000000 ] - [ -0.0013827200000000, -0.0032031100000000, -0.0013058400000000 ] - [ -0.0313646900000000, -0.0052744400000000, 0.1461284000000000 ] - [ -0.0004228400000000, 0.0004469400000000, 0.0019937700000000 ] - [ 0.0065657500000000, -0.0075263100000000, -0.0054962900000000 ] - [ -0.0002402900000000, 0.0044666700000000, -0.0014589100000000 ] - [ -0.0018458400000000, 0.0009658700000000, 0.0008103600000000 ] - [ -0.0014935300000000, -0.0004737200000000, 0.0008419700000000 ] - [ 0.0007689700000000, -0.0001120000000000, 0.0006299600000000 ] - [ 0.0037222800000000, 0.0011797800000000, 0.0029061700000000 ] - [ 0.0006374000000000, -0.0007685900000000, 0.0007676000000000 ] - [ 0.0001208800000000, 0.0005886300000000, 0.0000680200000000 ] - [ -0.0007175000000000, -0.0000113400000000, -0.0007227700000000 ] - [ -0.0012544100000000, 0.0002264400000000, -0.0016954800000000 ] - [ 0.0010432500000000, 0.0006949100000000, -0.0013028400000000 ] - [ 0.0011358400000000, -0.0001721000000000, -0.0011549300000000 ] - [ 0.0051536300000000, 0.0003780700000000, -0.0017148100000000 ] - [ 0.0014290000000000, 0.0003049700000000, -0.0009213500000000 ] - [ -0.0023707500000000, 0.0006507000000000, -0.0018285400000000 ] - [ -0.0006726300000000, -0.0000097900000000, -0.0006110000000000 ] - [ -0.0956961400000000, -0.0051002800000000, 0.0552288400000000 ] - [ -0.0013286900000000, 0.0002384600000000, 0.0014475900000000 ] - [ 0.0019320300000000, 0.0002356700000000, 0.0005665200000000 ] - [ 0.0006930000000000, 0.0001767200000000, 0.0002975100000000 ] - [ -0.0015801300000000, -0.0007430000000000, 0.0013567600000000 ] - [ -0.0016188400000000, 0.0013474200000000, 0.0016064200000000 ] - [ -0.0019680400000000, -0.0020747100000000, 0.0007470400000000 ] - [ -0.0006585500000000, 0.0009355500000000, -0.0082029200000000 ] - [ 0.0012017900000000, -0.0002861300000000, -0.0008191700000000 ] - [ 0.0014757700000000, 0.0005541200000000, -0.0003372300000000 ] - [ 0.0018303900000000, -0.0019008000000000, -0.0009919500000000 ] - [ 0.0072000500000000, 0.0156646700000000, -0.0055352100000000 ] - [ -0.0030500400000000, -0.0043412700000000, 0.0008006900000000 ] - [ -0.0018343000000000, 0.0053864000000000, 0.0027538000000000 ] - [ -0.0275870600000000, -0.0072773500000000, -0.0139027700000000 ] - [ 0.0005235700000000, 0.0004303300000000, -0.0005245900000000 ] - [ 0.0009788900000000, -0.0005098600000000, 0.0004749700000000 ] - [ 0.0003874800000000, 0.0004886100000000, 0.0003170200000000 ] - [ -0.0003886200000000, -0.0000319500000000, 0.0003913000000000 ] - [ -0.0001916200000000, -0.0003634200000000, 0.0004117400000000 ] - [ -0.0047595000000000, 0.0005679600000000, 0.0018884800000000 ] - [ -0.0006609000000000, 0.0006833400000000, 0.0003032800000000 ] - [ 0.2206146500000000, 0.0095143400000000, -0.2915115000000000 ] - [ 0.0012997500000000, 0.0000407600000000, -0.0015256500000000 ] - [ -0.0005036300000000, -0.0002392800000000, 0.0000578800000000 ] - [ -0.0002437600000000, 0.0002534000000000, -0.0000133300000000 ] - [ -0.0001134600000000, -0.0024951800000000, -0.0007885100000000 ] - [ -0.0009695600000000, 0.0034969500000000, -0.0025515900000000 ] - [ 0.0003648100000000, 0.0133517400000000, 0.0136890700000000 ] - [ 0.0004690000000000, -0.0015160800000000, -0.0008443400000000 ] - [ -0.0025469400000000, -0.0007977700000000, 0.0010994400000000 ] - [ -0.0004073800000000, 0.0004764800000000, 0.0001763300000000 ] - [ 0.0008681700000000, 0.0000688500000000, 0.0006069200000000 ] - [ 0.0002684200000000, -0.0002837200000000, -0.0003115400000000 ] - [ -0.0011052800000000, -0.0013764900000000, -0.0000614100000000 ] - [ -0.0043375400000000, -0.0003153500000000, -0.0000286500000000 ] - [ -0.0000302400000000, -0.0006334700000000, 0.0040875100000000 ] - [ 0.0004195500000000, 0.0002024300000000, 0.0009838200000000 ] - [ 0.0008332900000000, 0.0008509500000000, -0.0007211200000000 ] - [ 0.0042104500000000, -0.0032898600000000, 0.0121435100000000 ] - [ -0.0009980700000000, 0.0005520500000000, 0.0008770300000000 ] - [ -0.0022148100000000, -0.0020872500000000, 0.0067384100000000 ] - [ 0.0010191300000000, -0.0014655700000000, -0.0004289000000000 ] - [ -0.0371867400000000, 0.0302703600000000, 0.0248993200000000 ] - [ -0.0259385600000000, -0.0248952600000000, 0.0322108700000000 ] - [ 0.0004525900000000, 0.0007319700000000, -0.0005015600000000 ] - [ -0.0018228200000000, -0.0012245300000000, -0.0025612300000000 ] - [ -0.0003564200000000, 0.0001848700000000, -0.0009270300000000 ] - [ -0.0037589500000000, 0.0004036400000000, 0.0035690100000000 ] - [ -0.0013147500000000, 0.0000174900000000, 0.0014188800000000 ] - [ -0.0014304000000000, 0.0004972700000000, 0.0032066300000000 ] - [ -0.0004370300000000, -0.0015035600000000, 0.0012293200000000 ] - [ 0.0003220800000000, 0.0003319700000000, 0.0002484900000000 ] - [ -0.0000436700000000, -0.0001266100000000, 0.0000955800000000 ] - [ -0.0005439400000000, 0.0001795200000000, 0.0000871900000000 ] - [ -0.0012907400000000, -0.0005746000000000, -0.0004577200000000 ] - [ -0.0004407400000000, 0.0001383000000000, 0.0029785900000000 ] - [ -0.0002306900000000, 0.0008323200000000, 0.0002761700000000 ] - [ -0.0017451900000000, 0.0025801600000000, 0.0008061400000000 ] - [ 0.0002091000000000, -0.0048202700000000, 0.0012676100000000 ] - [ 0.0005089700000000, 0.0002505200000000, -0.0002424400000000 ] - [ 0.0007725500000000, -0.0004627200000000, -0.0001074800000000 ] - [ -0.0008083400000000, -0.0000373000000000, 0.0007769100000000 ] - [ -0.0009432000000000, 0.0000143600000000, 0.0006499000000000 ] - [ -0.0190077200000000, -0.0104465300000000, 0.0208800800000000 ] - [ 0.0000741700000000, 0.0005482200000000, -0.0001939700000000 ] - [ -0.0008064300000000, 0.0005276100000000, -0.0008071400000000 ] - [ 0.0000114700000000, -0.0001440000000000, -0.0001169700000000 ] - [ -0.0003382700000000, -0.0002377000000000, 0.0003387800000000 ] - [ -0.0005379300000000, 0.0006151500000000, 0.0006816200000000 ] - [ 0.0003245700000000, 0.0001151300000000, -0.0004431800000000 ] - [ -0.0004056300000000, -0.0013006500000000, -0.0018679500000000 ] - [ 0.0006163600000000, 0.0028203600000000, 0.0012401900000000 ] - [ -0.0004792600000000, -0.0024552100000000, 0.0014630000000000 ] - [ -0.0003036300000000, 0.0006600000000000, -0.0012951700000000 ] - [ -0.0000492800000000, -0.0007201800000000, -0.0004705100000000 ] - [ 0.0009825500000000, 0.0002017600000000, 0.0001091900000000 ] - [ 0.0026359700000000, -0.0005856300000000, 0.0024184900000000 ] - [ 0.0003160600000000, -0.0002026900000000, 0.0015550400000000 ] - [ 0.0000704800000000, 0.0000946000000000, 0.0007774600000000 ] - [ -0.0001216000000000, -0.0000967000000000, -0.0008794700000000 ] - [ -0.0000284600000000, 0.0001546400000000, -0.0005335000000000 ] - [ -0.0002774700000000, 0.0003065000000000, 0.0004987100000000 ] - [ -0.0000345400000000, -0.0004904800000000, 0.0002636100000000 ] - [ -0.0003146700000000, 0.0000029800000000, 0.0003966900000000 ] - [ -0.0004855300000000, -0.0003653800000000, 0.0007588400000000 ] - [ -0.0010823000000000, 0.0002686700000000, -0.0000091000000000 ] - [ -0.0047916600000000, -0.0026547200000000, -0.0006334700000000 ] - [ 0.0012894700000000, -0.0002372100000000, -0.0009346400000000 ] - [ 0.0013100000000000, 0.0001422200000000, -0.0009251900000000 ] - [ 0.0004613800000000, -0.0003060300000000, -0.0001877900000000 ] - [ 0.0006336100000000, 0.0006278200000000, -0.0002276500000000 ]- atom: 67 displacement: [ 0.0066066504307377, 0.0000000000000000, -0.0075068082489187 ] forces: - [ 0.0002589500000000, -0.0002324400000000, -0.0005521900000000 ] - [ 0.0006628400000000, 0.0005157200000000, -0.0015184000000000 ] - [ -0.0009118600000000, -0.0001020000000000, 0.0009551600000000 ] - [ -0.0008743300000000, 0.0000182000000000, 0.0009725700000000 ] - [ -0.0001814700000000, -0.0004303900000000, 0.0007213100000000 ] - [ -0.0009115200000000, 0.0003738800000000, 0.0022359900000000 ] - [ 0.0018447000000000, 0.0001739300000000, -0.0026989900000000 ] - [ 0.0020967000000000, -0.0002631300000000, -0.0026581700000000 ] - [ -0.0024704800000000, 0.0011460400000000, 0.0008712600000000 ] - [ -0.0008225300000000, -0.0004913400000000, 0.0003612500000000 ] - [ 0.0013545200000000, 0.0002561600000000, -0.0031554600000000 ] - [ 0.0005787200000000, -0.0000754400000000, -0.0003552100000000 ] - [ 0.0018371900000000, 0.0002687100000000, 0.0000844700000000 ] - [ 0.0007601100000000, -0.0003422900000000, -0.0002174100000000 ] - [ -0.0010422100000000, 0.0001012800000000, 0.0004633500000000 ] - [ -0.0005421800000000, -0.0000686700000000, 0.0003083100000000 ] - [ 0.0003694800000000, 0.0013857100000000, 0.0007997900000000 ] - [ 0.0000652100000000, -0.0001569000000000, 0.0001382300000000 ] - [ -0.0028509400000000, 0.0007346100000000, 0.0091341400000000 ] - [ -0.0013243500000000, -0.0003278600000000, 0.0019931200000000 ] - [ -0.0050400200000000, -0.0076321900000000, -0.0028223900000000 ] - [ -0.0004597100000000, 0.0022782200000000, -0.0008675400000000 ] - [ -0.0003636100000000, -0.0037569600000000, -0.0013577300000000 ] - [ -0.0103596400000000, 0.0096829700000000, -0.0042769600000000 ] - [ -0.0080755700000000, -0.0018451700000000, 0.0088859500000000 ] - [ 0.0009241500000000, 0.0031892800000000, 0.0009407500000000 ] - [ 0.0318172600000000, 0.0056881200000000, -0.1544570300000000 ] - [ 0.0009466500000000, -0.0002618000000000, -0.0021509400000000 ] - [ -0.0065466900000000, 0.0076201000000000, 0.0054945700000000 ] - [ 0.0002560200000000, -0.0043779600000000, 0.0014615400000000 ] - [ 0.0013100800000000, -0.0007817600000000, -0.0006453000000000 ] - [ 0.0009615500000000, 0.0006631200000000, -0.0006725500000000 ] - [ -0.0003209100000000, 0.0001243900000000, -0.0002684300000000 ] - [ -0.0032789500000000, -0.0011819500000000, -0.0025717900000000 ] - [ -0.0006275500000000, 0.0010524600000000, -0.0007748300000000 ] - [ -0.0001178200000000, -0.0003024600000000, -0.0000701100000000 ] - [ 0.0002762000000000, 0.0000213400000000, 0.0003576500000000 ] - [ 0.0008125000000000, -0.0002224600000000, 0.0013305400000000 ] - [ -0.0005233700000000, -0.0005046400000000, 0.0011435400000000 ] - [ -0.0006118500000000, 0.0003575100000000, 0.0009952300000000 ] - [ -0.0054117200000000, -0.0004352000000000, 0.0018618300000000 ] - [ -0.0016946100000000, -0.0003796500000000, 0.0010541200000000 ] - [ 0.0015719100000000, -0.0004790900000000, 0.0019691700000000 ] - [ -0.0001103300000000, 0.0001829300000000, 0.0007590600000000 ] - [ 0.0867774700000000, 0.0042533000000000, -0.0513877200000000 ] - [ 0.0015927600000000, -0.0003145800000000, -0.0015708800000000 ] - [ -0.0011655700000000, -0.0000655400000000, -0.0007135700000000 ] - [ 0.0000823200000000, -0.0000054800000000, -0.0004421900000000 ] - [ 0.0013146600000000, 0.0006612100000000, -0.0012260700000000 ] - [ 0.0013543600000000, -0.0014191400000000, -0.0014756500000000 ] - [ 0.0011927500000000, 0.0022429300000000, -0.0005981900000000 ] - [ -0.0001121800000000, -0.0007720900000000, 0.0083135600000000 ] - [ -0.0009297100000000, 0.0002097000000000, 0.0006860700000000 ] - [ -0.0012037500000000, -0.0006292400000000, 0.0002026200000000 ] - [ -0.0010536000000000, 0.0020729800000000, 0.0008395900000000 ] - [ -0.0064324000000000, -0.0155701300000000, 0.0054082700000000 ] - [ 0.0026766900000000, 0.0042031000000000, -0.0005967000000000 ] - [ 0.0014808100000000, -0.0054154500000000, -0.0025207300000000 ] - [ 0.0276484500000000, 0.0075051900000000, 0.0137982600000000 ] - [ -0.0005515900000000, -0.0002227500000000, 0.0005516300000000 ] - [ -0.0010844200000000, 0.0008434100000000, -0.0004786900000000 ] - [ -0.0005072300000000, -0.0001520700000000, -0.0003208100000000 ] - [ 0.0002067800000000, -0.0006287800000000, 0.0004892000000000 ] - [ 0.0000058800000000, -0.0002958300000000, 0.0004675900000000 ] - [ 0.0047663300000000, -0.0003479100000000, -0.0019202900000000 ] - [ 0.0006897900000000, -0.0004732800000000, -0.0003351600000000 ] - [ -0.2104545500000000, -0.0088089200000000, 0.2953572500000000 ] - [ -0.0011147500000000, 0.0001397400000000, 0.0013935700000000 ] - [ 0.0006353400000000, 0.0005800300000000, -0.0000575100000000 ] - [ 0.0003644200000000, 0.0000836200000000, 0.0000151500000000 ] - [ 0.0004457200000000, 0.0024315000000000, 0.0005694100000000 ] - [ 0.0013016800000000, -0.0035662600000000, 0.0023257900000000 ] - [ -0.0008285300000000, -0.0135384000000000, -0.0136998200000000 ] - [ -0.0008354400000000, 0.0014747000000000, 0.0009187000000000 ] - [ 0.0029480400000000, 0.0008377700000000, -0.0011760800000000 ] - [ 0.0007849900000000, -0.0004366400000000, -0.0002326900000000 ] - [ -0.0006726300000000, -0.0007244600000000, -0.0014883800000000 ] - [ -0.0000804200000000, -0.0003750100000000, -0.0005689800000000 ] - [ 0.0006689500000000, 0.0008820100000000, -0.0003262700000000 ] - [ 0.0038830300000000, -0.0001927200000000, -0.0003723300000000 ] - [ 0.0001193100000000, 0.0004112000000000, -0.0041139900000000 ] - [ -0.0003299700000000, -0.0004202300000000, -0.0010509400000000 ] - [ -0.0001915400000000, -0.0005673100000000, 0.0009326000000000 ] - [ -0.0036573800000000, 0.0036480100000000, -0.0119519900000000 ] - [ 0.0003609300000000, -0.0002589700000000, -0.0010804100000000 ] - [ 0.0015805400000000, 0.0023890300000000, -0.0069777300000000 ] - [ -0.0005792600000000, 0.0009690000000000, 0.0008067100000000 ] - [ 0.0370433200000000, -0.0302585000000000, -0.0241032100000000 ] - [ 0.0251715000000000, 0.0244675500000000, -0.0317153500000000 ] - [ -0.0008257100000000, -0.0006888500000000, 0.0005501900000000 ] - [ 0.0017463800000000, 0.0010059800000000, 0.0026376000000000 ] - [ 0.0002725800000000, -0.0004044400000000, 0.0009950000000000 ] - [ 0.0035770100000000, -0.0002263300000000, -0.0034515500000000 ] - [ 0.0011333600000000, 0.0001633700000000, -0.0013014500000000 ] - [ 0.0017884700000000, -0.0005519500000000, -0.0032788800000000 ] - [ 0.0007985000000000, 0.0014537700000000, -0.0012978100000000 ] - [ -0.0006592300000000, -0.0004078200000000, -0.0000375100000000 ] - [ -0.0002928500000000, 0.0000342300000000, 0.0001026900000000 ] - [ 0.0005113200000000, 0.0000238800000000, -0.0000566200000000 ] - [ 0.0012640700000000, 0.0007835100000000, 0.0004923700000000 ] - [ 0.0003051100000000, 0.0002069100000000, -0.0029787700000000 ] - [ 0.0001028600000000, -0.0004919600000000, -0.0002774200000000 ] - [ 0.0015555900000000, -0.0032422900000000, 0.0000737900000000 ] - [ -0.0004107800000000, 0.0041877700000000, -0.0003866300000000 ] - [ -0.0004859600000000, -0.0000382400000000, 0.0002108600000000 ] - [ -0.0007395800000000, 0.0006643900000000, 0.0000801000000000 ] - [ 0.0009861100000000, 0.0002166500000000, -0.0008911400000000 ] - [ 0.0011214700000000, 0.0001656500000000, -0.0007732400000000 ] - [ 0.0195889000000000, 0.0108864400000000, -0.0213178500000000 ] - [ 0.0000362000000000, -0.0002110700000000, 0.0001998300000000 ] - [ 0.0011434100000000, -0.0006117400000000, 0.0006048900000000 ] - [ 0.0003209700000000, 0.0000569800000000, -0.0000808800000000 ] - [ -0.0000278200000000, 0.0001876200000000, -0.0002687500000000 ] - [ 0.0001743800000000, -0.0006577900000000, -0.0006100900000000 ] - [ 0.0000550100000000, -0.0000716400000000, 0.0003892700000000 ] - [ 0.0007688200000000, 0.0013401300000000, 0.0018247300000000 ] - [ -0.0004297800000000, -0.0034823000000000, -0.0021216800000000 ] - [ 0.0006597400000000, 0.0017929200000000, -0.0023329900000000 ] - [ -0.0001426700000000, -0.0011515500000000, 0.0009132900000000 ] - [ -0.0003783700000000, 0.0002304900000000, 0.0000878500000000 ] - [ -0.0008990800000000, -0.0004226200000000, -0.0001791500000000 ] - [ -0.0025565800000000, 0.0003660200000000, -0.0024912400000000 ] - [ 0.0003233600000000, 0.0004946900000000, -0.0013430100000000 ] - [ 0.0005678400000000, 0.0001928000000000, -0.0005640900000000 ] - [ -0.0005150400000000, 0.0003848900000000, 0.0006647900000000 ] - [ -0.0006052400000000, 0.0001344800000000, 0.0003204100000000 ] - [ 0.0007115000000000, -0.0007990600000000, -0.0001135200000000 ] - [ 0.0004602300000000, 0.0000038500000000, 0.0001204200000000 ] - [ -0.0000633600000000, 0.0000374100000000, -0.0003451800000000 ] - [ 0.0001010700000000, 0.0004035500000000, -0.0006980300000000 ] - [ 0.0009995200000000, -0.0004903600000000, 0.0000874300000000 ] - [ 0.0047322100000000, 0.0024532300000000, 0.0007103700000000 ] - [ -0.0014707800000000, 0.0004232700000000, 0.0010556700000000 ] - [ -0.0014909500000000, 0.0000328600000000, 0.0010373800000000 ] - [ -0.0000932500000000, 0.0002671800000000, 0.0001134200000000 ] - [ -0.0002613300000000, -0.0006741300000000, 0.0001500200000000 ]- atom: 73 displacement: [ 0.0099999989202427, 0.0000000000000000, 0.0000046470576681 ] forces: - [ -0.0005242800000000, -0.0007058500000000, -0.0000240400000000 ] - [ -0.0009059800000000, 0.0007297600000000, 0.0000155700000000 ] - [ 0.0002502100000000, 0.0003163000000000, 0.0009056100000000 ] - [ 0.0001999600000000, -0.0000623600000000, 0.0001328100000000 ] - [ -0.0003152600000000, 0.0000532500000000, 0.0002607800000000 ] - [ -0.0003222900000000, -0.0000737000000000, 0.0002789800000000 ] - [ 0.0018269100000000, -0.0005885100000000, 0.0001048000000000 ] - [ 0.0002778900000000, 0.0002756000000000, 0.0000176300000000 ] - [ -0.0019012200000000, -0.0000719500000000, -0.0002782600000000 ] - [ -0.0003697700000000, 0.0000539400000000, 0.0000455700000000 ] - [ 0.0004079300000000, -0.0000265800000000, -0.0001949700000000 ] - [ 0.0002195600000000, 0.0000041300000000, -0.0002042800000000 ] - [ -0.0000300900000000, -0.0002155000000000, -0.0015685100000000 ] - [ 0.0001836000000000, 0.0001876900000000, -0.0001779100000000 ] - [ -0.0002664300000000, -0.0000056800000000, 0.0001877000000000 ] - [ -0.0002483000000000, -0.0000065700000000, 0.0001162900000000 ] - [ -0.0006883700000000, 0.0004483100000000, -0.0001407200000000 ] - [ -0.0003908300000000, -0.0000839900000000, 0.0000204600000000 ] - [ 0.0041723600000000, -0.0076793600000000, 0.0041647300000000 ] - [ 0.0008129500000000, 0.0011306500000000, 0.0012429000000000 ] - [ -0.0042203300000000, -0.0010267600000000, 0.0034008000000000 ] - [ -0.0000087300000000, 0.0003591700000000, 0.0004029800000000 ] - [ -0.0002480000000000, -0.0011410700000000, 0.0020850100000000 ] - [ -0.0007302000000000, 0.0011085600000000, 0.0011512900000000 ] - [ -0.0016591500000000, 0.0000853400000000, 0.0015855800000000 ] - [ -0.0003919700000000, 0.0002401400000000, 0.0002010700000000 ] - [ 0.0314462800000000, 0.0311190300000000, 0.0090210400000000 ] - [ 0.0029272900000000, 0.0005043800000000, -0.0002475600000000 ] - [ 0.0820413600000000, -0.0493651500000000, -0.0531293000000000 ] - [ 0.0025495200000000, 0.0008451600000000, 0.0006051100000000 ] - [ -0.0008099600000000, -0.0004682700000000, -0.0005100800000000 ] - [ -0.0004469700000000, 0.0003616600000000, -0.0001340600000000 ] - [ -0.0009542000000000, 0.0003149500000000, -0.0019265600000000 ] - [ -0.0009384400000000, -0.0004605500000000, -0.0018532200000000 ] - [ -0.0003900900000000, -0.0000780000000000, -0.0016889300000000 ] - [ -0.0000251600000000, 0.0003671800000000, -0.0007016700000000 ] - [ -0.0000829800000000, -0.0005650000000000, -0.0009963800000000 ] - [ -0.0004143600000000, 0.0005161900000000, -0.0014462300000000 ] - [ -0.0007534300000000, -0.0000290500000000, 0.0002281200000000 ] - [ -0.0001922200000000, 0.0002052300000000, 0.0000805400000000 ] - [ -0.0012843400000000, 0.0003850300000000, 0.0021010600000000 ] - [ -0.0004945700000000, -0.0001887200000000, 0.0007461800000000 ] - [ -0.0009696000000000, 0.0000408300000000, 0.0001860000000000 ] - [ -0.0006446900000000, 0.0001179600000000, 0.0001556700000000 ] - [ 0.0013721700000000, 0.0011299900000000, 0.0034037900000000 ] - [ 0.0006539100000000, -0.0002726900000000, -0.0001571200000000 ] - [ -0.0018381700000000, -0.0001042200000000, -0.0006982600000000 ] - [ 0.0001975300000000, 0.0000952000000000, -0.0001315100000000 ] - [ -0.0001724600000000, -0.0001913600000000, -0.0010990100000000 ] - [ -0.0001278900000000, -0.0002446000000000, -0.0006792500000000 ] - [ 0.0009692600000000, -0.0000892600000000, -0.0008066500000000 ] - [ 0.0007054900000000, 0.0003781800000000, -0.0052550900000000 ] - [ -0.0003452400000000, -0.0002156200000000, -0.0005315200000000 ] - [ -0.0002847800000000, 0.0002250600000000, -0.0004756700000000 ] - [ -0.0028186700000000, 0.0076242400000000, 0.0032385800000000 ] - [ -0.0014320000000000, -0.0057546500000000, 0.0040312300000000 ] - [ 0.0002016600000000, -0.0001499700000000, -0.0008963500000000 ] - [ -0.0000518600000000, -0.0003219100000000, -0.0003175200000000 ] - [ 0.0023038100000000, -0.0013871300000000, -0.0040954700000000 ] - [ -0.0001858500000000, 0.0001525100000000, -0.0001041200000000 ] - [ 0.0003165300000000, 0.0001732700000000, -0.0000523700000000 ] - [ 0.0001149200000000, 0.0000500800000000, -0.0000577800000000 ] - [ 0.0007380000000000, -0.0008092900000000, 0.0005323100000000 ] - [ 0.0000866200000000, -0.0003355100000000, 0.0004441600000000 ] - [ 0.0008449700000000, 0.0001621100000000, -0.0011175200000000 ] - [ 0.0001858100000000, 0.0000283100000000, -0.0003392500000000 ] - [ -0.0048044300000000, -0.0026222800000000, -0.0035991900000000 ] - [ -0.0005313400000000, 0.0000456600000000, 0.0002707600000000 ] - [ 0.0010542700000000, 0.0006536000000000, -0.0001546800000000 ] - [ 0.0003088200000000, 0.0001270000000000, -0.0000329200000000 ] - [ 0.0010011400000000, 0.0014639800000000, -0.0019811900000000 ] - [ 0.0003689700000000, -0.0004554900000000, -0.0003330900000000 ] - [ -0.1206929200000000, 0.0284131500000000, 0.0560309900000000 ] - [ -0.0009470800000000, -0.0002919700000000, 0.0000132900000000 ] - [ 0.0012607700000000, -0.0004455600000000, -0.0015637100000000 ] - [ 0.0003549600000000, -0.0001237800000000, -0.0003334800000000 ] - [ 0.0004363800000000, -0.0002393900000000, -0.0004640300000000 ] - [ 0.0002558700000000, -0.0002637400000000, -0.0004384000000000 ] - [ 0.0001650700000000, 0.0003050000000000, -0.0007361500000000 ] - [ 0.0004366800000000, -0.0002268700000000, -0.0009671900000000 ] - [ 0.0007039800000000, -0.0001116700000000, -0.0005082300000000 ] - [ 0.0002407100000000, -0.0001558800000000, -0.0002018900000000 ] - [ -0.0009239100000000, 0.0011513100000000, 0.0000954900000000 ] - [ -0.0022498900000000, -0.0072834900000000, 0.0023934800000000 ] - [ -0.0003748000000000, -0.0014327600000000, -0.0019590300000000 ] - [ -0.0003669100000000, 0.0015605800000000, -0.0014948500000000 ] - [ -0.0000039400000000, 0.0001104800000000, -0.0000106100000000 ] - [ 0.0000854000000000, -0.0010485400000000, -0.0006369000000000 ] - [ -0.0000341100000000, 0.0005342000000000, -0.0014220200000000 ] - [ -0.0002000600000000, 0.0000394500000000, -0.0000915600000000 ] - [ 0.0026676000000000, 0.0001028900000000, -0.0001329500000000 ] - [ 0.0001102900000000, -0.0001836200000000, 0.0000287000000000 ] - [ 0.0001853700000000, 0.0009676400000000, -0.0018469200000000 ] - [ 0.0001060500000000, -0.0000417500000000, -0.0005945500000000 ] - [ 0.0047280200000000, 0.0031426600000000, -0.0099061000000000 ] - [ -0.0002430200000000, -0.0003389800000000, -0.0003490600000000 ] - [ 0.0000708100000000, -0.0001662100000000, 0.0012067100000000 ] - [ -0.0001078700000000, 0.0001403900000000, 0.0004647500000000 ] - [ 0.0006350800000000, 0.0002696400000000, 0.0006159400000000 ] - [ 0.0005201400000000, 0.0002727000000000, 0.0005163400000000 ] - [ -0.0042284500000000, 0.0010746700000000, 0.0017724600000000 ] - [ -0.0007713500000000, 0.0002184100000000, 0.0001542600000000 ] - [ 0.0071538500000000, -0.0151701700000000, -0.0037835700000000 ] - [ -0.0014842500000000, 0.0019151100000000, 0.0001593400000000 ] - [ 0.0003573500000000, 0.0004235100000000, 0.0008194600000000 ] - [ 0.0003445200000000, -0.0000939200000000, 0.0004993700000000 ] - [ 0.0004038000000000, 0.0001723500000000, -0.0002521600000000 ] - [ 0.0002865700000000, 0.0000499000000000, -0.0000936000000000 ] - [ 0.0058771300000000, 0.0148349400000000, -0.0017883300000000 ] - [ -0.0010869500000000, -0.0025827200000000, 0.0003484200000000 ] - [ 0.0005548700000000, -0.0002230800000000, 0.0007172100000000 ] - [ 0.0004392800000000, -0.0004738000000000, 0.0004695700000000 ] - [ 0.0001290700000000, 0.0000712400000000, -0.0000267500000000 ] - [ 0.0001295600000000, -0.0002359700000000, -0.0000846900000000 ] - [ 0.0003178300000000, 0.0002524000000000, 0.0009427500000000 ] - [ 0.0001671000000000, 0.0003405000000000, 0.0007873300000000 ] - [ -0.0047054500000000, 0.0006767500000000, 0.0009071400000000 ] - [ -0.0012363600000000, -0.0015803400000000, 0.0006886400000000 ] - [ 0.0000250800000000, -0.0002178900000000, 0.0005438600000000 ] - [ -0.0002276800000000, -0.0003524300000000, 0.0001282800000000 ] - [ -0.0006811300000000, 0.0003215600000000, 0.0003756600000000 ] - [ -0.0000346400000000, -0.0005405800000000, 0.0011819700000000 ] - [ 0.0007835800000000, 0.0001280600000000, 0.0000319100000000 ] - [ 0.0005315700000000, 0.0000975200000000, 0.0000665000000000 ] - [ 0.0004409600000000, 0.0004444800000000, 0.0004413400000000 ] - [ -0.0002372500000000, 0.0001190300000000, -0.0000045600000000 ] - [ 0.0003175500000000, -0.0000886400000000, 0.0007063800000000 ] - [ 0.0003480100000000, -0.0003630000000000, 0.0003828700000000 ] - [ -0.0002501400000000, 0.0000060100000000, 0.0003083800000000 ] - [ -0.0002484100000000, -0.0002284300000000, 0.0005605700000000 ] - [ 0.0025982200000000, -0.0014925500000000, 0.0008726300000000 ] - [ 0.0023987400000000, 0.0013784200000000, 0.0003157100000000 ] - [ -0.0002784000000000, 0.0002124600000000, 0.0004971100000000 ] - [ -0.0002358600000000, 0.0000425500000000, 0.0003012900000000 ] - [ 0.0003783600000000, 0.0001783400000000, 0.0000266100000000 ] - [ 0.0003798200000000, -0.0002536000000000, 0.0000916800000000 ]- atom: 73 displacement: [ -0.0099999989202427, 0.0000000000000000, -0.0000046470576681 ] forces: - [ 0.0002705600000000, 0.0007067300000000, 0.0001120000000000 ] - [ 0.0006484600000000, -0.0007339100000000, 0.0000722500000000 ] - [ 0.0000454000000000, -0.0003427800000000, -0.0009716900000000 ] - [ 0.0000952200000000, 0.0000345600000000, -0.0002035800000000 ] - [ 0.0005691900000000, -0.0000536000000000, -0.0003483700000000 ] - [ 0.0005775300000000, 0.0000716000000000, -0.0003667000000000 ] - [ -0.0021197000000000, 0.0005549200000000, -0.0000421700000000 ] - [ -0.0005704200000000, -0.0002969000000000, 0.0000536200000000 ] - [ 0.0016349100000000, 0.0000663000000000, 0.0003651100000000 ] - [ 0.0001145500000000, -0.0000527300000000, 0.0000431500000000 ] - [ -0.0001082100000000, -0.0000031200000000, 0.0001303400000000 ] - [ 0.0000758700000000, -0.0000317100000000, 0.0001340500000000 ] - [ 0.0002062500000000, 0.0002127100000000, 0.0013955700000000 ] - [ 0.0000707600000000, -0.0001865400000000, 0.0000881400000000 ] - [ -0.0000275800000000, -0.0000237700000000, -0.0001185700000000 ] - [ -0.0000462700000000, -0.0000209000000000, -0.0000466700000000 ] - [ 0.0006891800000000, -0.0003562600000000, 0.0001430100000000 ] - [ 0.0003913200000000, 0.0001822600000000, -0.0000200400000000 ] - [ -0.0046493000000000, 0.0078087900000000, -0.0040114200000000 ] - [ -0.0013245300000000, -0.0009336500000000, -0.0010870600000000 ] - [ 0.0046662700000000, 0.0010230200000000, -0.0030500100000000 ] - [ 0.0004522500000000, -0.0003514000000000, -0.0000380700000000 ] - [ 0.0002454200000000, 0.0014281100000000, -0.0020836900000000 ] - [ 0.0007192800000000, -0.0008209500000000, -0.0011516900000000 ] - [ 0.0012027500000000, -0.0000840300000000, -0.0019422600000000 ] - [ -0.0000540900000000, -0.0002297300000000, -0.0005661500000000 ] - [ -0.0315005600000000, -0.0312572100000000, -0.0092734600000000 ] - [ -0.0023950400000000, -0.0003054300000000, 0.0000919700000000 ] - [ -0.0807113300000000, 0.0471656800000000, 0.0508278000000000 ] - [ -0.0025383600000000, -0.0007383400000000, -0.0006038200000000 ] - [ 0.0002942400000000, 0.0006553700000000, 0.0006618700000000 ] - [ -0.0000731000000000, -0.0001758400000000, 0.0002867400000000 ] - [ 0.0013944600000000, -0.0003064100000000, 0.0022876300000000 ] - [ 0.0013868100000000, 0.0004627500000000, 0.0022255500000000 ] - [ 0.0003907600000000, 0.0003576500000000, 0.0016912500000000 ] - [ 0.0000241800000000, -0.0000751300000000, 0.0007034300000000 ] - [ -0.0003636200000000, 0.0005729800000000, 0.0006286900000000 ] - [ -0.0000374900000000, -0.0005167100000000, 0.0010739300000000 ] - [ 0.0012722700000000, 0.0002148000000000, -0.0003793400000000 ] - [ 0.0007113500000000, -0.0000190500000000, -0.0002320200000000 ] - [ 0.0010101700000000, -0.0004646400000000, -0.0019675200000000 ] - [ 0.0002230500000000, 0.0001155900000000, -0.0006149600000000 ] - [ 0.0001951800000000, 0.0001279500000000, -0.0000357600000000 ] - [ -0.0001288100000000, 0.0000543900000000, -0.0000056500000000 ] - [ -0.0011568500000000, -0.0012227300000000, -0.0035206300000000 ] - [ -0.0003824700000000, 0.0001981700000000, 0.0000264300000000 ] - [ 0.0026163200000000, 0.0002740400000000, 0.0005504700000000 ] - [ 0.0005748400000000, 0.0000765600000000, -0.0000167600000000 ] - [ -0.0000925100000000, 0.0001129000000000, 0.0012274500000000 ] - [ -0.0001407500000000, 0.0001707000000000, 0.0008071700000000 ] - [ -0.0017506700000000, 0.0002601600000000, 0.0009640900000000 ] - [ -0.0014913900000000, -0.0001953200000000, 0.0053736400000000 ] - [ 0.0006139000000000, 0.0001386200000000, 0.0004002600000000 ] - [ 0.0005546700000000, -0.0002979400000000, 0.0003444700000000 ] - [ 0.0035678100000000, -0.0074282900000000, -0.0033663400000000 ] - [ 0.0022074900000000, 0.0059414900000000, -0.0041870000000000 ] - [ -0.0005327500000000, 0.0000712100000000, 0.0011068500000000 ] - [ -0.0002830700000000, 0.0002321100000000, 0.0005285800000000 ] - [ -0.0023388800000000, 0.0016157500000000, 0.0041421900000000 ] - [ 0.0001544200000000, 0.0000524200000000, 0.0001266700000000 ] - [ -0.0004477300000000, 0.0001626300000000, 0.0000458900000000 ] - [ -0.0002499400000000, 0.0002855500000000, 0.0000537700000000 ] - [ -0.0009224800000000, 0.0001555900000000, 0.0003551300000000 ] - [ -0.0002677800000000, -0.0003217600000000, 0.0004439300000000 ] - [ -0.0008055800000000, 0.0000453600000000, 0.0010943600000000 ] - [ -0.0001476600000000, 0.0001745300000000, 0.0003214100000000 ] - [ 0.0050366100000000, 0.0027692100000000, 0.0034374900000000 ] - [ 0.0007139200000000, 0.0001317900000000, -0.0003814200000000 ] - [ -0.0009318800000000, -0.0003181900000000, 0.0001599700000000 ] - [ -0.0001845600000000, 0.0002058100000000, 0.0000398700000000 ] - [ -0.0006654900000000, -0.0015507400000000, 0.0017729000000000 ] - [ -0.0000299800000000, 0.0003687700000000, 0.0001197000000000 ] - [ 0.1193223800000000, -0.0257313700000000, -0.0532598000000000 ] - [ 0.0005755600000000, 0.0002407500000000, 0.0000583100000000 ] - [ -0.0008845300000000, 0.0004854800000000, 0.0015089700000000 ] - [ 0.0000209300000000, 0.0001615100000000, 0.0002768700000000 ] - [ -0.0002545600000000, -0.0004149700000000, -0.0004256200000000 ] - [ -0.0000754800000000, -0.0003949000000000, -0.0004486900000000 ] - [ -0.0006060400000000, -0.0007944600000000, 0.0003459900000000 ] - [ -0.0008745100000000, -0.0002580000000000, 0.0005761000000000 ] - [ -0.0006224100000000, -0.0001075800000000, 0.0004415900000000 ] - [ -0.0001657800000000, -0.0000661900000000, 0.0001405800000000 ] - [ 0.0015524800000000, -0.0008672500000000, 0.0001180600000000 ] - [ 0.0029018200000000, 0.0075854400000000, -0.0021835300000000 ] - [ -0.0002539400000000, 0.0017165200000000, 0.0017378600000000 ] - [ -0.0002657400000000, -0.0012605500000000, 0.0012857000000000 ] - [ 0.0004482700000000, -0.0005979000000000, 0.0004008600000000 ] - [ 0.0003773300000000, 0.0005492300000000, 0.0010183400000000 ] - [ -0.0003326600000000, -0.0004872400000000, 0.0014690200000000 ] - [ -0.0001746300000000, -0.0000068000000000, 0.0001499700000000 ] - [ -0.0027538800000000, -0.0003224100000000, 0.0001963000000000 ] - [ -0.0001901300000000, -0.0000391600000000, 0.0000315500000000 ] - [ -0.0003702700000000, -0.0007786700000000, 0.0019452900000000 ] - [ -0.0002888600000000, 0.0002192600000000, 0.0006996600000000 ] - [ -0.0042606200000000, -0.0031445700000000, 0.0096641000000000 ] - [ 0.0006113000000000, 0.0002845900000000, 0.0002778100000000 ] - [ -0.0004038600000000, 0.0000933400000000, -0.0009969200000000 ] - [ -0.0002311400000000, -0.0002343400000000, -0.0002550700000000 ] - [ -0.0006715500000000, -0.0000688100000000, -0.0005965800000000 ] - [ -0.0005439000000000, -0.0000576300000000, -0.0004954500000000 ] - [ 0.0040810400000000, -0.0007604100000000, -0.0017381600000000 ] - [ 0.0006397900000000, 0.0001200600000000, -0.0001604300000000 ] - [ -0.0071792900000000, 0.0142908500000000, 0.0046706000000000 ] - [ 0.0012984000000000, -0.0025684100000000, 0.0007301700000000 ] - [ -0.0003320300000000, -0.0002123300000000, -0.0008412400000000 ] - [ -0.0003052800000000, 0.0002949200000000, -0.0005175300000000 ] - [ -0.0002168400000000, 0.0000080100000000, 0.0001362500000000 ] - [ -0.0001002700000000, 0.0001287100000000, -0.0000199500000000 ] - [ -0.0056807000000000, -0.0143507600000000, 0.0018293600000000 ] - [ 0.0012074300000000, 0.0028932500000000, -0.0003405500000000 ] - [ -0.0002143000000000, 0.0001300900000000, -0.0009274100000000 ] - [ -0.0001060300000000, 0.0003934900000000, -0.0006798400000000 ] - [ -0.0004963900000000, -0.0001143000000000, 0.0000993800000000 ] - [ -0.0004973100000000, 0.0001927400000000, 0.0001566600000000 ] - [ 0.0000618300000000, -0.0002171600000000, -0.0010023900000000 ] - [ 0.0001968600000000, -0.0003023600000000, -0.0008341100000000 ] - [ 0.0048666900000000, -0.0013565700000000, -0.0018537800000000 ] - [ 0.0014119800000000, 0.0009125500000000, -0.0015724600000000 ] - [ -0.0004651600000000, -0.0002655700000000, -0.0009319700000000 ] - [ -0.0002141600000000, -0.0001373500000000, -0.0005179600000000 ] - [ 0.0007622900000000, -0.0005450100000000, -0.0004273700000000 ] - [ 0.0001196900000000, 0.0003206600000000, -0.0012410100000000 ] - [ -0.0001480400000000, 0.0001626500000000, 0.0001783500000000 ] - [ 0.0001017200000000, 0.0001920600000000, 0.0001461700000000 ] - [ -0.0010740800000000, -0.0001495700000000, -0.0006518900000000 ] - [ -0.0003915700000000, 0.0001772000000000, -0.0002026000000000 ] - [ 0.0001223000000000, -0.0003955900000000, -0.0003183900000000 ] - [ 0.0000948500000000, -0.0001275600000000, 0.0000061600000000 ] - [ -0.0001181200000000, 0.0000311000000000, -0.0002590800000000 ] - [ -0.0001291700000000, 0.0002644000000000, -0.0004982900000000 ] - [ -0.0026634800000000, 0.0012674700000000, -0.0008052900000000 ] - [ -0.0024858500000000, -0.0016036000000000, -0.0002702800000000 ] - [ 0.0000880500000000, -0.0000313300000000, -0.0003887000000000 ] - [ 0.0000502800000000, 0.0001353900000000, -0.0001978500000000 ] - [ -0.0000087200000000, -0.0002273000000000, -0.0000982400000000 ] - [ -0.0000088300000000, 0.0002024800000000, -0.0001635400000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011797300000000, -0.0002396400000000, 0.0003543400000000 ] - [ 0.0014581000000000, -0.0001944500000000, 0.0000466900000000 ] - [ 0.0010081100000000, 0.0005733300000000, -0.0015471600000000 ] - [ 0.0000002300000000, -0.0006298700000000, 0.0002729000000000 ] - [ 0.0007516200000000, 0.0000028500000000, -0.0003990800000000 ] - [ -0.0001991900000000, -0.0000146200000000, -0.0000000500000000 ] - [ -0.0009042400000000, 0.0023228200000000, 0.0018601600000000 ] - [ -0.0002801900000000, -0.0020552600000000, -0.0008290200000000 ] - [ 0.0002553600000000, 0.0020484000000000, 0.0003229900000000 ] - [ -0.0000279600000000, -0.0012495000000000, 0.0000486700000000 ] - [ -0.0006069400000000, 0.0005394400000000, -0.0012002200000000 ] - [ 0.0000990800000000, -0.0005061300000000, 0.0002970300000000 ] - [ -0.0009046000000000, 0.0029106900000000, -0.0001604700000000 ] - [ 0.0000365300000000, -0.0014618500000000, 0.0001121900000000 ] - [ -0.0001313100000000, 0.0003564700000000, 0.0001457300000000 ] - [ -0.0000556100000000, -0.0003970200000000, -0.0002883300000000 ] - [ 0.0001088400000000, 0.0005222400000000, -0.0002573600000000 ] - [ -0.0000115000000000, -0.0005657400000000, -0.0000087300000000 ] - [ -0.0054888200000000, 0.0080709900000000, 0.0026775700000000 ] - [ 0.0019312500000000, -0.0051699800000000, -0.0017779500000000 ] - [ 0.0020551200000000, 0.0046030000000000, 0.0006774800000000 ] - [ 0.0003433700000000, -0.0023380200000000, 0.0000397500000000 ] - [ -0.0002354700000000, 0.0007208100000000, 0.0004400000000000 ] - [ 0.0018622500000000, -0.0017417000000000, -0.0004915500000000 ] - [ 0.0010187500000000, 0.0018535000000000, -0.0015992700000000 ] - [ -0.0001727900000000, -0.0018121100000000, -0.0002091300000000 ] - [ 0.0311678100000000, 0.1435574200000000, 0.0409190400000000 ] - [ -0.0000435900000000, -0.0070826800000000, 0.0024422800000000 ] - [ -0.0431343600000000, 0.0623037700000000, 0.0406552600000000 ] - [ -0.0016883400000000, -0.0076669500000000, 0.0010204400000000 ] - [ -0.0007051500000000, 0.0007294000000000, 0.0007235100000000 ] - [ -0.0001080400000000, -0.0005672800000000, -0.0004956400000000 ] - [ 0.0024031300000000, -0.0005161000000000, 0.0031179200000000 ] - [ -0.0024053500000000, -0.0002726600000000, -0.0022814000000000 ] - [ -0.0004405000000000, 0.0027151700000000, -0.0002063500000000 ] - [ -0.0001540400000000, -0.0023114700000000, 0.0000172100000000 ] - [ -0.0026503000000000, -0.0006814400000000, -0.0027719700000000 ] - [ 0.0011602700000000, 0.0002148200000000, 0.0020525100000000 ] - [ 0.0006071400000000, 0.0005945800000000, -0.0007593200000000 ] - [ 0.0001953700000000, -0.0003939600000000, 0.0000825700000000 ] - [ 0.0001442000000000, 0.0006914200000000, -0.0002385400000000 ] - [ 0.0008319600000000, -0.0007596700000000, -0.0006545200000000 ] - [ -0.0004661100000000, 0.0008777300000000, -0.0003001500000000 ] - [ -0.0002766300000000, -0.0006064800000000, 0.0001453000000000 ] - [ 0.0088106500000000, 0.0022308900000000, -0.0051535800000000 ] - [ -0.0009633300000000, -0.0010454700000000, 0.0007942700000000 ] - [ 0.0006705400000000, 0.0007618100000000, 0.0002133800000000 ] - [ 0.0004666700000000, -0.0005620500000000, -0.0002393500000000 ] - [ -0.0004501700000000, 0.0015957700000000, 0.0001222700000000 ] - [ -0.0000986300000000, -0.0016645000000000, 0.0000677800000000 ] - [ -0.0065732800000000, -0.0098912900000000, 0.0016908800000000 ] - [ 0.0006363700000000, -0.0022850400000000, 0.0127033800000000 ] - [ 0.0005638100000000, 0.0013828700000000, -0.0003325900000000 ] - [ -0.0002221100000000, -0.0013554500000000, -0.0002808400000000 ] - [ 0.0044377500000000, -0.0111538700000000, -0.0039759000000000 ] - [ -0.0032661500000000, -0.0087891400000000, 0.0068996900000000 ] - [ -0.0007475600000000, -0.0012340600000000, 0.0000911200000000 ] - [ -0.0002414600000000, 0.0013875200000000, 0.0006187200000000 ] - [ -0.0042801000000000, -0.0014090500000000, 0.0014005600000000 ] - [ 0.0006978500000000, 0.0010623300000000, -0.0001625900000000 ] - [ 0.0001458700000000, -0.0003025400000000, -0.0000840800000000 ] - [ -0.0002210100000000, 0.0006370300000000, 0.0002112300000000 ] - [ -0.0000884800000000, -0.0008678800000000, 0.0003692400000000 ] - [ -0.0002051000000000, 0.0002131000000000, 0.0005458100000000 ] - [ -0.0003779000000000, -0.0005831600000000, 0.0004855000000000 ] - [ -0.0005614500000000, 0.0008403100000000, 0.0001025900000000 ] - [ -0.0036557600000000, 0.0035747500000000, 0.0146944400000000 ] - [ 0.0009029700000000, 0.0014400400000000, -0.0013271300000000 ] - [ -0.0001452700000000, -0.0002971700000000, 0.0001449000000000 ] - [ 0.0000299900000000, 0.0005713300000000, -0.0000520400000000 ] - [ 0.0010338800000000, -0.0015250700000000, -0.0006303000000000 ] - [ -0.0005706400000000, 0.0015393400000000, -0.0000499400000000 ] - [ 0.0247372800000000, -0.2589876100000000, -0.1108285600000000 ] - [ -0.0004496800000000, 0.0046385600000000, 0.0007510900000000 ] - [ -0.0004972900000000, -0.0010454700000000, 0.0000726700000000 ] - [ -0.0000321400000000, 0.0009603100000000, 0.0004904000000000 ] - [ -0.0000145600000000, -0.0008564700000000, -0.0001077500000000 ] - [ 0.0001668100000000, 0.0001752800000000, -0.0005189300000000 ] - [ -0.0004501800000000, -0.0001238300000000, -0.0001052000000000 ] - [ -0.0009510700000000, -0.0003994600000000, 0.0000920600000000 ] - [ -0.0000782600000000, -0.0006487100000000, 0.0004816800000000 ] - [ -0.0000637500000000, 0.0003961200000000, -0.0000253400000000 ] - [ 0.0010052000000000, 0.0059211300000000, -0.0015732500000000 ] - [ -0.0023249700000000, 0.0150257500000000, -0.0061713900000000 ] - [ -0.0014669000000000, 0.0029292300000000, 0.0022147900000000 ] - [ 0.0008210700000000, -0.0000419700000000, -0.0029797500000000 ] - [ 0.0007210700000000, 0.0000053700000000, -0.0000863300000000 ] - [ -0.0025131400000000, 0.0016493900000000, 0.0019138900000000 ] - [ -0.0013326000000000, -0.0025361600000000, 0.0022508700000000 ] - [ -0.0001105400000000, 0.0010686800000000, -0.0003963800000000 ] - [ -0.0004587300000000, -0.0011721900000000, -0.0005565300000000 ] - [ -0.0000643300000000, 0.0005557700000000, 0.0000244700000000 ] - [ 0.0005069100000000, -0.0012041800000000, -0.0000973800000000 ] - [ -0.0010481700000000, 0.0010071600000000, 0.0011921500000000 ] - [ -0.0030031100000000, -0.0091824300000000, 0.0037585100000000 ] - [ 0.0004992600000000, 0.0034927700000000, -0.0008956400000000 ] - [ -0.0004099900000000, -0.0014222600000000, -0.0004142000000000 ] - [ 0.0003193400000000, 0.0012857600000000, 0.0007206800000000 ] - [ -0.0006589400000000, -0.0005746700000000, -0.0003367200000000 ] - [ 0.0007238000000000, 0.0008016800000000, 0.0004865800000000 ] - [ 0.0026918800000000, 0.0008316200000000, -0.0075399000000000 ] - [ -0.0010055500000000, 0.0053591400000000, 0.0008075500000000 ] - [ -0.0155726300000000, 0.0168964800000000, 0.0045499100000000 ] - [ 0.0001367300000000, 0.0035552000000000, -0.0003750200000000 ] - [ 0.0007442300000000, -0.0005663900000000, 0.0004473600000000 ] - [ -0.0004328600000000, 0.0007767700000000, -0.0003897000000000 ] - [ -0.0002743900000000, -0.0002813600000000, 0.0004751200000000 ] - [ 0.0003026700000000, 0.0004353200000000, -0.0001548000000000 ] - [ 0.0135784500000000, 0.0126013700000000, -0.0038087200000000 ] - [ 0.0004630800000000, 0.0042253700000000, -0.0006547400000000 ] - [ 0.0007802300000000, -0.0012965100000000, 0.0005245000000000 ] - [ -0.0002596000000000, 0.0013089400000000, -0.0008088900000000 ] - [ -0.0003983800000000, 0.0000191400000000, 0.0001923800000000 ] - [ -0.0000859000000000, 0.0000278200000000, 0.0000784900000000 ] - [ -0.0002049300000000, -0.0003950000000000, -0.0010793500000000 ] - [ 0.0008311200000000, 0.0008590800000000, 0.0008046300000000 ] - [ 0.0010195400000000, 0.0134244200000000, 0.0121645300000000 ] - [ 0.0019199500000000, 0.0035234900000000, -0.0033348800000000 ] - [ -0.0002792600000000, -0.0018246300000000, -0.0000364700000000 ] - [ 0.0001269000000000, 0.0011987300000000, -0.0004513900000000 ] - [ 0.0034070200000000, 0.0012241100000000, 0.0014604900000000 ] - [ -0.0022301900000000, 0.0002897600000000, -0.0029303100000000 ] - [ 0.0002864400000000, -0.0002878400000000, 0.0005248000000000 ] - [ 0.0002543600000000, 0.0005288800000000, -0.0000180300000000 ] - [ -0.0002615300000000, -0.0003310300000000, -0.0004921000000000 ] - [ -0.0002834400000000, 0.0005736400000000, 0.0001493400000000 ] - [ 0.0005999800000000, -0.0015918000000000, 0.0002288500000000 ] - [ 0.0000516400000000, 0.0010088100000000, 0.0004178900000000 ] - [ 0.0002331800000000, -0.0003437300000000, 0.0011886500000000 ] - [ -0.0001993400000000, 0.0005587700000000, -0.0008466000000000 ] - [ -0.0051894200000000, 0.0023293400000000, -0.0013965100000000 ] - [ 0.0043647500000000, 0.0022003400000000, 0.0003042200000000 ] - [ 0.0001122000000000, -0.0004939700000000, -0.0006244100000000 ] - [ -0.0000938200000000, 0.0006278900000000, 0.0004372000000000 ] - [ 0.0004133900000000, 0.0000357800000000, -0.0001785500000000 ] - [ -0.0000146200000000, 0.0000288000000000, 0.0001452900000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009259200000000, 0.0002366400000000, -0.0002649300000000 ] - [ -0.0017016000000000, 0.0001926200000000, 0.0000425000000000 ] - [ -0.0007148400000000, -0.0006086000000000, 0.0014668100000000 ] - [ 0.0002934200000000, 0.0006022000000000, -0.0003423100000000 ] - [ -0.0004942000000000, -0.0000061500000000, 0.0003090800000000 ] - [ 0.0004561600000000, 0.0000143200000000, -0.0000895200000000 ] - [ 0.0006175700000000, -0.0023780500000000, -0.0017355300000000 ] - [ -0.0000162200000000, 0.0020190100000000, 0.0008922300000000 ] - [ -0.0005024900000000, -0.0020462600000000, -0.0002262700000000 ] - [ -0.0002277200000000, 0.0012458400000000, 0.0000406400000000 ] - [ 0.0008983200000000, -0.0005669400000000, 0.0011272000000000 ] - [ 0.0001950800000000, 0.0004757200000000, -0.0003665000000000 ] - [ 0.0011569300000000, -0.0029077900000000, 0.0000799500000000 ] - [ 0.0002195000000000, 0.0014556500000000, -0.0001983000000000 ] - [ -0.0001642700000000, -0.0003839500000000, -0.0000776800000000 ] - [ -0.0002387300000000, 0.0003668200000000, 0.0003577900000000 ] - [ -0.0001066800000000, -0.0004269800000000, 0.0002557700000000 ] - [ 0.0000126700000000, 0.0006546500000000, 0.0000083400000000 ] - [ 0.0049394100000000, -0.0077576200000000, -0.0025496800000000 ] - [ -0.0024474000000000, 0.0053425900000000, 0.0019272100000000 ] - [ -0.0015970000000000, -0.0045724400000000, -0.0003062700000000 ] - [ 0.0001086900000000, 0.0023391600000000, 0.0003264100000000 ] - [ 0.0002386900000000, -0.0004438500000000, -0.0004426800000000 ] - [ -0.0018546600000000, 0.0020278800000000, 0.0004809100000000 ] - [ -0.0014486600000000, -0.0018463400000000, 0.0012207200000000 ] - [ -0.0002732300000000, 0.0018184900000000, -0.0001616200000000 ] - [ -0.0286513800000000, -0.1353185300000000, -0.0377664600000000 ] - [ 0.0005486600000000, 0.0072662600000000, -0.0025965500000000 ] - [ 0.0451648500000000, -0.0632537000000000, -0.0425757500000000 ] - [ 0.0016673700000000, 0.0077368400000000, -0.0010079700000000 ] - [ 0.0001835300000000, -0.0005435900000000, -0.0005699400000000 ] - [ -0.0004102700000000, 0.0007540700000000, 0.0006442100000000 ] - [ -0.0019534300000000, 0.0005223000000000, -0.0027415500000000 ] - [ 0.0028437600000000, 0.0002769600000000, 0.0026496600000000 ] - [ 0.0004374000000000, -0.0024281000000000, 0.0002085000000000 ] - [ 0.0001521800000000, 0.0025889200000000, -0.0000137900000000 ] - [ 0.0022031500000000, 0.0006849800000000, 0.0024034300000000 ] - [ -0.0016022600000000, -0.0002061700000000, -0.0024091000000000 ] - [ -0.0000858900000000, -0.0004104800000000, 0.0006031700000000 ] - [ 0.0003274300000000, 0.0005826000000000, -0.0002337500000000 ] - [ -0.0004011000000000, -0.0007643500000000, 0.0003515600000000 ] - [ -0.0010994900000000, 0.0006797400000000, 0.0007825000000000 ] - [ -0.0003038100000000, -0.0007053400000000, 0.0004485100000000 ] - [ -0.0004963000000000, 0.0007750600000000, 0.0000029500000000 ] - [ -0.0085073900000000, -0.0023053000000000, 0.0049939600000000 ] - [ 0.0012319700000000, 0.0009662900000000, -0.0009272300000000 ] - [ 0.0001041200000000, -0.0005898800000000, -0.0003614000000000 ] - [ 0.0003106000000000, 0.0007313500000000, 0.0000900800000000 ] - [ 0.0001786500000000, -0.0016695600000000, 0.0000082500000000 ] - [ -0.0001709500000000, 0.0015869000000000, 0.0000655300000000 ] - [ 0.0057779900000000, 0.0100508000000000, -0.0015127000000000 ] - [ -0.0014279300000000, 0.0024750400000000, -0.0124261300000000 ] - [ -0.0002934100000000, -0.0014591900000000, 0.0002027900000000 ] - [ 0.0004920700000000, 0.0012762500000000, 0.0001531000000000 ] - [ -0.0036466600000000, 0.0112912800000000, 0.0038206800000000 ] - [ 0.0040307700000000, 0.0089421700000000, -0.0070306000000000 ] - [ 0.0004047500000000, 0.0011471700000000, 0.0001243900000000 ] - [ -0.0000986400000000, -0.0014742800000000, -0.0004021800000000 ] - [ 0.0042094400000000, 0.0016084300000000, -0.0013553800000000 ] - [ -0.0007333800000000, -0.0008543900000000, 0.0001838500000000 ] - [ -0.0002682300000000, 0.0006363200000000, 0.0000777900000000 ] - [ 0.0000902200000000, -0.0003010900000000, -0.0002150600000000 ] - [ -0.0000942200000000, 0.0002097800000000, 0.0005184700000000 ] - [ 0.0000215600000000, -0.0008674300000000, 0.0003415200000000 ] - [ 0.0003999800000000, 0.0007886400000000, -0.0004925900000000 ] - [ 0.0005910300000000, -0.0006284500000000, -0.0001206600000000 ] - [ 0.0038511700000000, -0.0033359200000000, -0.0145295000000000 ] - [ -0.0007178000000000, -0.0012595900000000, 0.0012153000000000 ] - [ 0.0002815900000000, 0.0006336700000000, -0.0001418500000000 ] - [ 0.0000942900000000, -0.0002371100000000, 0.0000575400000000 ] - [ -0.0006958200000000, 0.0014379900000000, 0.0004180100000000 ] - [ 0.0009023700000000, -0.0016202300000000, -0.0001595800000000 ] - [ -0.0294628200000000, 0.2516383200000000, 0.1093398200000000 ] - [ 0.0000821700000000, -0.0046776000000000, -0.0006780100000000 ] - [ 0.0008639300000000, 0.0010810000000000, -0.0001201500000000 ] - [ 0.0004055600000000, -0.0009211000000000, -0.0005441000000000 ] - [ 0.0001950600000000, 0.0001985300000000, -0.0007798800000000 ] - [ 0.0000158400000000, -0.0008307100000000, -0.0003691400000000 ] - [ 0.0000082200000000, -0.0003612200000000, -0.0002831200000000 ] - [ 0.0005006400000000, -0.0000941600000000, -0.0004759500000000 ] - [ 0.0001532800000000, 0.0004271200000000, -0.0005381200000000 ] - [ 0.0001445300000000, -0.0006166900000000, -0.0000303000000000 ] - [ -0.0003743300000000, -0.0056683100000000, 0.0017743700000000 ] - [ 0.0028744100000000, -0.0143663300000000, 0.0062736400000000 ] - [ 0.0008373700000000, -0.0026271100000000, -0.0024222800000000 ] - [ -0.0014512500000000, 0.0003204300000000, 0.0027462400000000 ] - [ -0.0002819200000000, -0.0004902400000000, 0.0004767600000000 ] - [ 0.0029537600000000, -0.0021330800000000, -0.0015167600000000 ] - [ 0.0009526900000000, 0.0025601900000000, -0.0021833700000000 ] - [ -0.0002623300000000, -0.0010323000000000, 0.0004522300000000 ] - [ 0.0003773400000000, 0.0009474200000000, 0.0006119800000000 ] - [ -0.0000196500000000, -0.0007757000000000, 0.0000361600000000 ] - [ -0.0006918500000000, 0.0013688600000000, 0.0002268200000000 ] - [ 0.0008634100000000, -0.0008257200000000, -0.0010833200000000 ] - [ 0.0032850300000000, 0.0090964200000000, -0.0037307100000000 ] - [ -0.0001253500000000, -0.0035342600000000, 0.0008206900000000 ] - [ 0.0000709200000000, 0.0013213700000000, 0.0006199100000000 ] - [ -0.0006560700000000, -0.0013697500000000, -0.0005089300000000 ] - [ 0.0006222200000000, 0.0007791700000000, 0.0003533600000000 ] - [ -0.0007589800000000, -0.0005966900000000, -0.0004679400000000 ] - [ -0.0027895400000000, -0.0005300800000000, 0.0074641100000000 ] - [ 0.0008783600000000, -0.0050112200000000, -0.0008181800000000 ] - [ 0.0156025100000000, -0.0176182100000000, -0.0036241300000000 ] - [ -0.0003062600000000, -0.0042139200000000, 0.0012598200000000 ] - [ -0.0007131200000000, 0.0007750400000000, -0.0004669100000000 ] - [ 0.0004587300000000, -0.0005643100000000, 0.0003661200000000 ] - [ 0.0004559800000000, 0.0004612000000000, -0.0005746800000000 ] - [ -0.0001182900000000, -0.0002558900000000, 0.0000433400000000 ] - [ -0.0131963100000000, -0.0121636300000000, 0.0038344700000000 ] - [ -0.0003290100000000, -0.0038789200000000, 0.0006576800000000 ] - [ -0.0004443100000000, 0.0012095300000000, -0.0007351100000000 ] - [ 0.0005950300000000, -0.0013907300000000, 0.0005941500000000 ] - [ 0.0000255700000000, -0.0000726600000000, -0.0001213100000000 ] - [ -0.0002847400000000, -0.0000742600000000, -0.0000053500000000 ] - [ 0.0005810600000000, 0.0004310300000000, 0.0010199400000000 ] - [ -0.0004523800000000, -0.0008227500000000, -0.0008636500000000 ] - [ -0.0008207800000000, -0.0141575400000000, -0.0132758100000000 ] - [ -0.0017231900000000, -0.0041691500000000, 0.0024189100000000 ] - [ -0.0001590500000000, 0.0013370500000000, -0.0003538400000000 ] - [ -0.0005664300000000, -0.0016835900000000, 0.0000604900000000 ] - [ -0.0033214600000000, -0.0014408300000000, -0.0015176700000000 ] - [ 0.0023041100000000, -0.0005166800000000, 0.0028556000000000 ] - [ 0.0003390700000000, 0.0005856500000000, -0.0003159900000000 ] - [ 0.0003769300000000, -0.0002371100000000, 0.0002324000000000 ] - [ -0.0003714600000000, 0.0006184700000000, 0.0002737200000000 ] - [ -0.0003480400000000, -0.0002794800000000, -0.0003599800000000 ] - [ -0.0001609400000000, 0.0011062000000000, 0.0001634700000000 ] - [ 0.0003892800000000, -0.0014937200000000, -0.0000282600000000 ] - [ -0.0006047700000000, 0.0003818100000000, -0.0011350500000000 ] - [ -0.0001701400000000, -0.0005194100000000, 0.0008929100000000 ] - [ 0.0051090500000000, -0.0025472200000000, 0.0014528700000000 ] - [ -0.0044300300000000, -0.0024169200000000, -0.0002443800000000 ] - [ -0.0002949100000000, 0.0006729100000000, 0.0007403800000000 ] - [ -0.0000878400000000, -0.0004479100000000, -0.0003283600000000 ] - [ -0.0000448600000000, -0.0000762200000000, 0.0001043600000000 ] - [ 0.0003831100000000, -0.0000781100000000, -0.0002162500000000 ]- atom: 73 displacement: [ -0.0066066504307377, 0.0000000000000000, 0.0075068082489187 ] forces: - [ -0.0000707400000000, 0.0005360200000000, 0.0004697800000000 ] - [ 0.0006351000000000, -0.0006393100000000, 0.0004364500000000 ] - [ 0.0006469900000000, -0.0004674000000000, -0.0019480300000000 ] - [ 0.0003262600000000, 0.0001258900000000, -0.0003778600000000 ] - [ 0.0007022200000000, -0.0000321500000000, -0.0004405000000000 ] - [ 0.0006404600000000, 0.0000557000000000, -0.0004794200000000 ] - [ -0.0014555100000000, 0.0013393700000000, 0.0008118400000000 ] - [ -0.0006106800000000, -0.0012771400000000, 0.0001250800000000 ] - [ 0.0012274300000000, 0.0003529900000000, 0.0008590900000000 ] - [ 0.0001311900000000, -0.0002216900000000, 0.0000624200000000 ] - [ -0.0009451900000000, -0.0000688900000000, -0.0009701100000000 ] - [ -0.0000991700000000, 0.0000412300000000, 0.0000375200000000 ] - [ -0.0009003100000000, 0.0005815700000000, 0.0019034400000000 ] - [ -0.0001505800000000, -0.0003889900000000, 0.0001640100000000 ] - [ -0.0000152700000000, 0.0000574100000000, -0.0004321400000000 ] - [ -0.0000041600000000, -0.0001249000000000, -0.0002398200000000 ] - [ 0.0004562200000000, -0.0003247900000000, -0.0002469900000000 ] - [ 0.0003077900000000, 0.0000737700000000, -0.0001915000000000 ] - [ -0.0005612700000000, 0.0119589100000000, -0.0047836300000000 ] - [ 0.0007383300000000, -0.0022273700000000, -0.0013516400000000 ] - [ 0.0067721800000000, 0.0021307300000000, -0.0018548500000000 ] - [ 0.0007581500000000, -0.0008507000000000, 0.0001646700000000 ] - [ 0.0011329900000000, 0.0018692500000000, -0.0022483100000000 ] - [ 0.0024922500000000, -0.0020012200000000, -0.0009532700000000 ] - [ 0.0030550300000000, 0.0003263600000000, -0.0034279000000000 ] - [ 0.0001037100000000, -0.0006962100000000, -0.0007646100000000 ] - [ -0.0152487800000000, 0.0060068300000000, 0.0179237400000000 ] - [ -0.0014922200000000, -0.0009255500000000, 0.0017997900000000 ] - [ -0.0909907500000000, 0.0640480700000000, 0.0826608200000000 ] - [ -0.0016286800000000, -0.0014411600000000, 0.0007814000000000 ] - [ -0.0003145400000000, 0.0006941400000000, -0.0001599400000000 ] - [ -0.0003359400000000, -0.0003378200000000, -0.0000587600000000 ] - [ 0.0008735600000000, -0.0001719400000000, 0.0022268400000000 ] - [ 0.0002066300000000, 0.0002712500000000, 0.0013696700000000 ] - [ -0.0008581200000000, 0.0004489200000000, 0.0004785600000000 ] - [ -0.0002882400000000, -0.0004889600000000, 0.0001843600000000 ] - [ -0.0018146600000000, -0.0000087800000000, -0.0010629200000000 ] - [ -0.0009012600000000, 0.0001759000000000, 0.0002097700000000 ] - [ 0.0011561200000000, 0.0002970100000000, -0.0009138300000000 ] - [ 0.0006461400000000, -0.0000956500000000, -0.0004859400000000 ] - [ 0.0025314000000000, -0.0002198400000000, -0.0027456700000000 ] - [ 0.0008676200000000, 0.0000639200000000, -0.0008843000000000 ] - [ 0.0000780300000000, 0.0002588200000000, -0.0003908800000000 ] - [ -0.0001694200000000, -0.0000732200000000, -0.0001300900000000 ] - [ 0.0067243700000000, -0.0002281400000000, -0.0067696400000000 ] - [ -0.0003784600000000, 0.0004640500000000, 0.0004259300000000 ] - [ 0.0023269500000000, 0.0003956000000000, 0.0004945500000000 ] - [ 0.0005707700000000, 0.0000049300000000, -0.0000645000000000 ] - [ -0.0012243800000000, 0.0005912900000000, 0.0005346300000000 ] - [ -0.0006353100000000, -0.0003084700000000, 0.0004098200000000 ] - [ -0.0054348600000000, -0.0058591500000000, 0.0043475600000000 ] - [ -0.0030899600000000, 0.0034272900000000, 0.0087706000000000 ] - [ 0.0004941100000000, 0.0003394400000000, -0.0003716700000000 ] - [ 0.0004017200000000, -0.0001746300000000, -0.0002194100000000 ] - [ 0.0031109800000000, -0.0060704600000000, -0.0021661600000000 ] - [ 0.0006087000000000, 0.0016877200000000, -0.0000328600000000 ] - [ -0.0011295400000000, -0.0002812500000000, 0.0013668200000000 ] - [ -0.0005663400000000, 0.0008533600000000, 0.0008137900000000 ] - [ -0.0054860700000000, 0.0013156700000000, 0.0036436700000000 ] - [ 0.0000601800000000, 0.0001157800000000, -0.0001816700000000 ] - [ -0.0002701500000000, 0.0000917800000000, 0.0003012200000000 ] - [ -0.0001917600000000, 0.0003906900000000, 0.0001911100000000 ] - [ -0.0007453600000000, -0.0000372200000000, 0.0004330900000000 ] - [ -0.0002427700000000, -0.0002558300000000, 0.0005101900000000 ] - [ -0.0020059200000000, -0.0000264800000000, 0.0015031100000000 ] - [ -0.0005198600000000, 0.0003267400000000, 0.0003333300000000 ] - [ 0.0006085900000000, 0.0108793300000000, 0.0135644400000000 ] - [ 0.0006660400000000, -0.0000626200000000, -0.0010099300000000 ] - [ -0.0008151400000000, -0.0003191600000000, 0.0002122900000000 ] - [ -0.0001684100000000, 0.0002577700000000, 0.0000720900000000 ] - [ -0.0014034400000000, -0.0019481800000000, 0.0016099500000000 ] - [ -0.0004107000000000, 0.0009335500000000, -0.0001778300000000 ] - [ 0.1180247400000000, -0.0978092500000000, -0.1232580100000000 ] - [ 0.0002999400000000, 0.0006809500000000, -0.0004460500000000 ] - [ -0.0016843900000000, 0.0003859400000000, 0.0019019300000000 ] - [ -0.0001924300000000, 0.0003428300000000, 0.0004225200000000 ] - [ -0.0001627000000000, -0.0004539600000000, -0.0000885500000000 ] - [ -0.0000036400000000, -0.0002923900000000, -0.0003635100000000 ] - [ -0.0010467900000000, -0.0009604200000000, 0.0004594300000000 ] - [ -0.0017880200000000, -0.0005196100000000, 0.0008476000000000 ] - [ -0.0007797000000000, -0.0002253900000000, 0.0008333200000000 ] - [ -0.0001399400000000, 0.0000288700000000, 0.0002295300000000 ] - [ 0.0013791000000000, 0.0005831400000000, -0.0021637000000000 ] - [ 0.0016219700000000, 0.0071163700000000, -0.0067256700000000 ] - [ -0.0009125400000000, 0.0017867900000000, 0.0007559200000000 ] - [ -0.0009079600000000, -0.0018091200000000, -0.0010042500000000 ] - [ 0.0000116400000000, -0.0010058300000000, 0.0004319400000000 ] - [ -0.0022856700000000, 0.0024417400000000, 0.0023923500000000 ] - [ -0.0018960500000000, -0.0013934000000000, 0.0032869700000000 ] - [ -0.0002660600000000, 0.0000982400000000, 0.0001626200000000 ] - [ -0.0024830600000000, -0.0005485500000000, -0.0007497600000000 ] - [ -0.0002014700000000, 0.0000807200000000, -0.0001537100000000 ] - [ -0.0017784900000000, -0.0010705300000000, 0.0032289600000000 ] - [ -0.0009605400000000, 0.0004601700000000, 0.0011029100000000 ] - [ -0.0099846800000000, -0.0048610200000000, 0.0115197600000000 ] - [ 0.0002322700000000, 0.0008201400000000, -0.0000663200000000 ] - [ 0.0001167300000000, -0.0001802500000000, -0.0002254300000000 ] - [ 0.0001350300000000, 0.0002690500000000, 0.0002352500000000 ] - [ -0.0002974700000000, -0.0000604500000000, -0.0002503400000000 ] - [ -0.0001243600000000, 0.0000975600000000, -0.0001270700000000 ] - [ 0.0029828000000000, -0.0072946300000000, 0.0015448100000000 ] - [ 0.0000226200000000, 0.0030937100000000, -0.0002230800000000 ] - [ -0.0054540000000000, 0.0097557800000000, 0.0001610400000000 ] - [ 0.0008688600000000, -0.0009938200000000, -0.0000935000000000 ] - [ 0.0007369500000000, -0.0003279600000000, 0.0000624800000000 ] - [ 0.0001895100000000, 0.0002007500000000, -0.0001585700000000 ] - [ -0.0002684700000000, -0.0000323900000000, 0.0005809300000000 ] - [ -0.0001062300000000, 0.0001268600000000, 0.0002108700000000 ] - [ -0.0001482900000000, -0.0058170400000000, -0.0034338700000000 ] - [ 0.0009175600000000, 0.0025491900000000, -0.0006847700000000 ] - [ 0.0001954300000000, -0.0001540200000000, -0.0004708400000000 ] - [ 0.0000336500000000, 0.0003955200000000, -0.0005245200000000 ] - [ -0.0004826400000000, -0.0000571600000000, 0.0002587700000000 ] - [ -0.0004406200000000, 0.0002363600000000, 0.0002984500000000 ] - [ 0.0005723400000000, -0.0003902100000000, -0.0008659200000000 ] - [ 0.0007414400000000, 0.0000682000000000, -0.0004915600000000 ] - [ 0.0043662400000000, 0.0094376500000000, 0.0022048200000000 ] - [ 0.0011581300000000, -0.0000866900000000, -0.0024492500000000 ] - [ 0.0004269900000000, -0.0004418300000000, -0.0004497700000000 ] - [ 0.0000686500000000, 0.0001798000000000, -0.0004253400000000 ] - [ 0.0022924100000000, 0.0005161400000000, 0.0001311400000000 ] - [ 0.0006859800000000, -0.0003909700000000, -0.0014348900000000 ] - [ -0.0000499500000000, 0.0000375500000000, 0.0005461500000000 ] - [ 0.0001329100000000, 0.0002276700000000, 0.0002860800000000 ] - [ -0.0005721200000000, -0.0001019500000000, -0.0004684000000000 ] - [ -0.0002671900000000, 0.0002665000000000, -0.0000990600000000 ] - [ 0.0005868400000000, -0.0005268200000000, 0.0002876800000000 ] - [ 0.0001967800000000, -0.0000068900000000, 0.0002369800000000 ] - [ 0.0001980900000000, -0.0000380600000000, 0.0004515400000000 ] - [ 0.0000368300000000, -0.0000186000000000, -0.0000815500000000 ] - [ -0.0024682300000000, 0.0010739500000000, -0.0008272300000000 ] - [ -0.0009939900000000, -0.0006640300000000, -0.0003467200000000 ] - [ 0.0008260400000000, -0.0002257400000000, 0.0002829000000000 ] - [ 0.0003459100000000, 0.0003234700000000, 0.0000457400000000 ] - [ 0.0001534600000000, -0.0002907600000000, 0.0000612000000000 ] - [ 0.0001055400000000, 0.0002343800000000, 0.0000178100000000 ]- atom: 73 displacement: [ 0.0066066504307377, 0.0000000000000000, -0.0075068082489187 ] forces: - [ -0.0001850200000000, -0.0005394000000000, -0.0003863000000000 ] - [ -0.0008991900000000, 0.0006352400000000, -0.0003509600000000 ] - [ -0.0003560400000000, 0.0004472900000000, 0.0018933400000000 ] - [ -0.0000336600000000, -0.0001525400000000, 0.0003070800000000 ] - [ -0.0004479600000000, 0.0000308700000000, 0.0003562800000000 ] - [ -0.0003830500000000, -0.0000612000000000, 0.0003932100000000 ] - [ 0.0011846100000000, -0.0014165700000000, -0.0006823400000000 ] - [ 0.0003200000000000, 0.0012596800000000, -0.0000501700000000 ] - [ -0.0014886700000000, -0.0003655600000000, -0.0007868600000000 ] - [ -0.0003876800000000, 0.0002233800000000, 0.0000213200000000 ] - [ 0.0012383100000000, 0.0000410100000000, 0.0009071900000000 ] - [ 0.0003909800000000, -0.0000656900000000, -0.0001076300000000 ] - [ 0.0011647300000000, -0.0005939700000000, -0.0019889000000000 ] - [ 0.0004066900000000, 0.0003912900000000, -0.0002499700000000 ] - [ -0.0002731900000000, -0.0000854900000000, 0.0005031600000000 ] - [ -0.0002868400000000, 0.0001009800000000, 0.0003103000000000 ] - [ -0.0004578600000000, 0.0004134600000000, 0.0002483600000000 ] - [ -0.0003095700000000, 0.0000225800000000, 0.0001929400000000 ] - [ 0.0000822000000000, -0.0119296500000000, 0.0049477500000000 ] - [ -0.0012641400000000, 0.0024356700000000, 0.0015119100000000 ] - [ -0.0063236800000000, -0.0021333800000000, 0.0022156600000000 ] - [ -0.0003148000000000, 0.0008643200000000, 0.0001997300000000 ] - [ -0.0011363900000000, -0.0015839900000000, 0.0022511400000000 ] - [ -0.0025065400000000, 0.0022836500000000, 0.0009544500000000 ] - [ -0.0035192000000000, -0.0003231900000000, 0.0030767000000000 ] - [ -0.0005504000000000, 0.0007068900000000, 0.0004038800000000 ] - [ 0.0156272100000000, -0.0064011900000000, -0.0183280500000000 ] - [ 0.0020232200000000, 0.0011313000000000, -0.0019610800000000 ] - [ 0.0950748600000000, -0.0686155800000000, -0.0862722700000000 ] - [ 0.0016392900000000, 0.0015648300000000, -0.0007934400000000 ] - [ -0.0002113700000000, -0.0005098800000000, 0.0003147400000000 ] - [ -0.0001898000000000, 0.0005250600000000, 0.0002170200000000 ] - [ -0.0004325800000000, 0.0001841000000000, -0.0018650900000000 ] - [ 0.0002537200000000, -0.0002611100000000, -0.0009875000000000 ] - [ 0.0008638000000000, -0.0001766200000000, -0.0004751700000000 ] - [ 0.0002889400000000, 0.0007822400000000, -0.0001809100000000 ] - [ 0.0013806600000000, 0.0000204400000000, 0.0007005200000000 ] - [ 0.0004539100000000, -0.0001663000000000, -0.0005875200000000 ] - [ -0.0006334200000000, -0.0001107700000000, 0.0007611300000000 ] - [ -0.0001212200000000, 0.0002806000000000, 0.0003289200000000 ] - [ -0.0028121200000000, 0.0001379900000000, 0.0028892700000000 ] - [ -0.0011406500000000, -0.0001342800000000, 0.0010147300000000 ] - [ -0.0008580200000000, -0.0000891400000000, 0.0005401100000000 ] - [ -0.0006054000000000, 0.0002484600000000, 0.0002792200000000 ] - [ -0.0065018300000000, 0.0001302000000000, 0.0066521000000000 ] - [ 0.0006506500000000, -0.0005346500000000, -0.0005569900000000 ] - [ -0.0015528000000000, -0.0002268600000000, -0.0006421800000000 ] - [ 0.0002036500000000, 0.0001690300000000, -0.0000828400000000 ] - [ 0.0009570100000000, -0.0006731700000000, -0.0004023700000000 ] - [ 0.0003665000000000, 0.0002416600000000, -0.0002770800000000 ] - [ 0.0046839900000000, 0.0060831900000000, -0.0042231200000000 ] - [ 0.0023189200000000, -0.0032572200000000, -0.0087150000000000 ] - [ -0.0002209600000000, -0.0004222600000000, 0.0002439000000000 ] - [ -0.0001272200000000, 0.0001026900000000, 0.0000926800000000 ] - [ -0.0023531700000000, 0.0062623200000000, 0.0020301400000000 ] - [ 0.0001910200000000, -0.0014491000000000, -0.0001824000000000 ] - [ 0.0008012100000000, 0.0002001100000000, -0.0011607700000000 ] - [ 0.0002315300000000, -0.0009438100000000, -0.0006061700000000 ] - [ 0.0054349200000000, -0.0010692300000000, -0.0035879500000000 ] - [ -0.0000971400000000, 0.0000860500000000, 0.0002023700000000 ] - [ 0.0001529800000000, 0.0002441100000000, -0.0003068900000000 ] - [ 0.0000758900000000, -0.0000568200000000, -0.0001970500000000 ] - [ 0.0005603300000000, -0.0006172200000000, 0.0004458900000000 ] - [ 0.0000586900000000, -0.0004034800000000, 0.0003682100000000 ] - [ 0.0020533800000000, 0.0002372300000000, -0.0015319200000000 ] - [ 0.0005542400000000, -0.0001195200000000, -0.0003545100000000 ] - [ -0.0003426500000000, -0.0106122400000000, -0.0136058800000000 ] - [ -0.0004931900000000, 0.0002372200000000, 0.0008908800000000 ] - [ 0.0009422200000000, 0.0006565100000000, -0.0002105500000000 ] - [ 0.0002932300000000, 0.0000759500000000, -0.0000674600000000 ] - [ 0.0017371800000000, 0.0018596600000000, -0.0018207400000000 ] - [ 0.0007485000000000, -0.0010187500000000, -0.0000343300000000 ] - [ -0.1227329900000000, 0.1032977700000000, 0.1273570400000000 ] - [ -0.0006682800000000, -0.0007453500000000, 0.0005144200000000 ] - [ 0.0020649700000000, -0.0003459300000000, -0.0019612700000000 ] - [ 0.0005754700000000, -0.0003071700000000, -0.0004837800000000 ] - [ 0.0003500500000000, -0.0001991800000000, -0.0007928100000000 ] - [ 0.0001894400000000, -0.0003669300000000, -0.0005157000000000 ] - [ 0.0006128700000000, 0.0004648700000000, -0.0008459600000000 ] - [ 0.0013585900000000, 0.0000366200000000, -0.0012387800000000 ] - [ 0.0008702300000000, 0.0000068000000000, -0.0009043000000000 ] - [ 0.0002237800000000, -0.0002509400000000, -0.0002937400000000 ] - [ -0.0007518100000000, -0.0003024900000000, 0.0023911500000000 ] - [ -0.0009536000000000, -0.0068926500000000, 0.0069501800000000 ] - [ 0.0002803600000000, -0.0015115500000000, -0.0009724400000000 ] - [ 0.0002718000000000, 0.0021199800000000, 0.0008265100000000 ] - [ 0.0004258000000000, 0.0005103300000000, -0.0000490900000000 ] - [ 0.0027417800000000, -0.0029393600000000, -0.0020164000000000 ] - [ 0.0015246900000000, 0.0014428500000000, -0.0032406900000000 ] - [ -0.0001096600000000, -0.0000623600000000, -0.0001090800000000 ] - [ 0.0023990400000000, 0.0003300500000000, 0.0008111300000000 ] - [ 0.0001195700000000, -0.0003033600000000, 0.0002253000000000 ] - [ 0.0016043200000000, 0.0012685000000000, -0.0031331000000000 ] - [ 0.0007879500000000, -0.0002853500000000, -0.0009802300000000 ] - [ 0.0106521400000000, 0.0049084000000000, -0.0118742000000000 ] - [ 0.0001331800000000, -0.0008776100000000, 0.0000000200000000 ] - [ -0.0004519500000000, 0.0000944300000000, 0.0004331100000000 ] - [ -0.0004758200000000, -0.0003697200000000, -0.0000321000000000 ] - [ 0.0002569400000000, 0.0002626900000000, 0.0002722900000000 ] - [ 0.0000803900000000, 0.0001018100000000, 0.0001450500000000 ] - [ -0.0031612500000000, 0.0076998200000000, -0.0015406700000000 ] - [ -0.0001392600000000, -0.0027780300000000, 0.0002171300000000 ] - [ 0.0053867600000000, -0.0105397600000000, 0.0007909500000000 ] - [ -0.0010586400000000, 0.0003184100000000, 0.0009819700000000 ] - [ -0.0007128000000000, 0.0005483600000000, -0.0000856500000000 ] - [ -0.0001550100000000, 0.0000054900000000, 0.0001369000000000 ] - [ 0.0004420900000000, 0.0002119500000000, -0.0007004800000000 ] - [ 0.0002815700000000, 0.0000512700000000, -0.0003285000000000 ] - [ 0.0001912200000000, 0.0060866600000000, 0.0035190100000000 ] - [ -0.0007993500000000, -0.0022344100000000, 0.0006924200000000 ] - [ 0.0001336500000000, 0.0000804000000000, 0.0002593500000000 ] - [ 0.0002979000000000, -0.0004769400000000, 0.0003176900000000 ] - [ 0.0001144400000000, 0.0000068000000000, -0.0001893300000000 ] - [ 0.0000707000000000, -0.0002842100000000, -0.0002277800000000 ] - [ -0.0001857200000000, 0.0004303300000000, 0.0008068000000000 ] - [ -0.0003607000000000, -0.0000343800000000, 0.0004256600000000 ] - [ -0.0042373600000000, -0.0102956400000000, -0.0032270800000000 ] - [ -0.0009794200000000, -0.0005779100000000, 0.0015873000000000 ] - [ -0.0008601900000000, -0.0000408700000000, 0.0000630600000000 ] - [ -0.0005013500000000, -0.0006765900000000, 0.0000422600000000 ] - [ -0.0022221700000000, -0.0007435300000000, -0.0001897700000000 ] - [ -0.0005949700000000, 0.0001717700000000, 0.0013867000000000 ] - [ 0.0006837400000000, 0.0002569800000000, -0.0003345900000000 ] - [ 0.0004994600000000, 0.0000646000000000, -0.0000737200000000 ] - [ -0.0000616200000000, 0.0003925400000000, 0.0002535900000000 ] - [ -0.0003691200000000, 0.0000202700000000, -0.0001141100000000 ] - [ -0.0001590000000000, 0.0000437600000000, 0.0000976400000000 ] - [ 0.0002353400000000, -0.0004878700000000, 0.0001473700000000 ] - [ -0.0005727800000000, 0.0000794600000000, -0.0004066100000000 ] - [ -0.0004161900000000, 0.0000577100000000, 0.0001389400000000 ] - [ 0.0023973100000000, -0.0012987000000000, 0.0009076000000000 ] - [ 0.0008809100000000, 0.0004269400000000, 0.0004224800000000 ] - [ -0.0009998000000000, 0.0004078400000000, -0.0001583000000000 ] - [ -0.0005193500000000, -0.0001459300000000, 0.0000782200000000 ] - [ 0.0002156400000000, 0.0002465900000000, -0.0001332200000000 ] - [ 0.0002642600000000, -0.0002757700000000, -0.0000916400000000 ]- atom: 75 displacement: [ 0.0099999989202427, 0.0000000000000000, 0.0000046470576681 ] forces: - [ 0.0005043200000000, 0.0004283400000000, 0.0007138000000000 ] - [ 0.0008605600000000, -0.0004054100000000, 0.0005273500000000 ] - [ 0.0021247400000000, 0.0001107500000000, -0.0002861200000000 ] - [ 0.0004598700000000, 0.0008220200000000, -0.0000823900000000 ] - [ 0.0000474100000000, 0.0002172800000000, -0.0005577900000000 ] - [ -0.0000016200000000, -0.0003420000000000, -0.0006397400000000 ] - [ -0.0012572000000000, 0.0004288800000000, 0.0001122200000000 ] - [ -0.0005045000000000, -0.0003854500000000, 0.0000970000000000 ] - [ -0.0001384600000000, 0.0000166800000000, -0.0002194000000000 ] - [ -0.0001642800000000, 0.0000331700000000, -0.0000544300000000 ] - [ -0.0004778200000000, -0.0001133100000000, -0.0003781500000000 ] - [ -0.0001049800000000, 0.0000322700000000, -0.0001185100000000 ] - [ -0.0001748300000000, -0.0000628000000000, 0.0007919300000000 ] - [ 0.0000938600000000, 0.0000280200000000, 0.0001644400000000 ] - [ -0.0034089500000000, 0.0016978900000000, -0.0008913800000000 ] - [ -0.0000423800000000, -0.0002924400000000, -0.0000345100000000 ] - [ -0.0008266500000000, 0.0007346000000000, -0.0018419000000000 ] - [ 0.0003122000000000, -0.0003982700000000, -0.0005472300000000 ] - [ 0.0009616300000000, -0.0014496800000000, 0.0079612800000000 ] - [ -0.0000828000000000, -0.0002755900000000, 0.0003591800000000 ] - [ 0.1059163200000000, -0.0138033900000000, -0.0816971600000000 ] - [ 0.0010185300000000, 0.0000923400000000, 0.0004474300000000 ] - [ 0.0021816200000000, 0.0060067700000000, -0.0042689200000000 ] - [ 0.0023188200000000, -0.0028600800000000, -0.0010341400000000 ] - [ -0.0026969600000000, 0.0011299000000000, -0.0060421700000000 ] - [ -0.0000938900000000, 0.0001059300000000, -0.0008452900000000 ] - [ -0.0033628400000000, -0.0002539100000000, 0.0039939500000000 ] - [ -0.0002749200000000, 0.0003684900000000, 0.0005761500000000 ] - [ -0.0014487000000000, -0.0000005900000000, 0.0022680800000000 ] - [ -0.0003089700000000, 0.0003466400000000, 0.0006473600000000 ] - [ -0.0006877100000000, 0.0003216100000000, -0.0005833300000000 ] - [ -0.0005006200000000, 0.0003377200000000, -0.0001292700000000 ] - [ -0.0005218800000000, -0.0003708200000000, -0.0000078300000000 ] - [ -0.0005040500000000, 0.0003154300000000, 0.0000683500000000 ] - [ -0.0014554300000000, 0.0003573600000000, 0.0001276900000000 ] - [ -0.0003729600000000, 0.0001482200000000, 0.0000264200000000 ] - [ -0.0007653500000000, -0.0002029800000000, 0.0006083200000000 ] - [ -0.0009289900000000, 0.0002140400000000, 0.0004644100000000 ] - [ -0.0010093200000000, -0.0010307200000000, -0.0031153300000000 ] - [ 0.0004340600000000, 0.0008199400000000, -0.0007174500000000 ] - [ 0.0431982900000000, 0.0117689000000000, 0.0059717500000000 ] - [ 0.0006100700000000, 0.0004801300000000, -0.0005465500000000 ] - [ -0.0016986400000000, -0.0000107600000000, -0.0014478900000000 ] - [ -0.0006123600000000, 0.0000884000000000, -0.0003183600000000 ] - [ -0.0061767500000000, -0.0023236900000000, -0.0072901600000000 ] - [ -0.0003314600000000, 0.0011978300000000, 0.0005068700000000 ] - [ 0.0047961500000000, -0.0003435400000000, -0.0015071000000000 ] - [ 0.0009683700000000, 0.0002620100000000, -0.0000659300000000 ] - [ -0.0007099400000000, -0.0001050800000000, 0.0002443800000000 ] - [ -0.0004712200000000, -0.0000386100000000, 0.0000617600000000 ] - [ -0.0006192300000000, -0.0003469500000000, 0.0008957600000000 ] - [ -0.0010401200000000, 0.0014516800000000, 0.0023040700000000 ] - [ -0.0016124600000000, -0.0006425600000000, 0.0004770800000000 ] - [ -0.0001238100000000, 0.0004425300000000, -0.0002387500000000 ] - [ 0.0001532400000000, -0.0000116500000000, 0.0001115400000000 ] - [ -0.0002933100000000, -0.0003397100000000, 0.0014359900000000 ] - [ 0.0001958100000000, -0.0022811300000000, 0.0031019500000000 ] - [ -0.0006747800000000, -0.0000142000000000, 0.0001878300000000 ] - [ 0.0124836500000000, 0.0065696600000000, -0.0043933800000000 ] - [ -0.0002344400000000, -0.0004629800000000, -0.0002069100000000 ] - [ 0.0003329200000000, 0.0000978600000000, 0.0005769500000000 ] - [ 0.0000942100000000, 0.0001458200000000, 0.0002121000000000 ] - [ -0.0003104000000000, -0.0005267800000000, 0.0031384700000000 ] - [ -0.0003712900000000, -0.0002449900000000, 0.0005065700000000 ] - [ -0.0022951300000000, 0.0091508600000000, 0.0165787600000000 ] - [ -0.0003147300000000, -0.0000937200000000, 0.0001357900000000 ] - [ 0.0042978200000000, 0.0006516700000000, -0.0000205200000000 ] - [ 0.0005286900000000, -0.0001429700000000, -0.0004695700000000 ] - [ -0.0005210000000000, 0.0005297000000000, 0.0020200400000000 ] - [ -0.0003291500000000, -0.0001219100000000, 0.0001737400000000 ] - [ 0.0021198900000000, -0.0079509700000000, -0.0021683800000000 ] - [ -0.0004756500000000, 0.0002600800000000, -0.0000258200000000 ] - [ 0.0008986000000000, -0.0007171000000000, -0.0015265400000000 ] - [ -0.0000102400000000, -0.0002416800000000, -0.0003289600000000 ] - [ -0.1578688500000000, 0.0070804400000000, 0.0970890200000000 ] - [ -0.0002316800000000, -0.0000906400000000, 0.0001296300000000 ] - [ 0.0007725900000000, -0.0000399000000000, 0.0004025200000000 ] - [ 0.0001974600000000, -0.0002499000000000, -0.0001856800000000 ] - [ -0.0019404700000000, -0.0013338500000000, 0.0005226800000000 ] - [ -0.0095104800000000, 0.0029290600000000, 0.0015223500000000 ] - [ 0.0011729200000000, -0.0002323800000000, 0.0015601700000000 ] - [ 0.0002177100000000, -0.0001569600000000, 0.0002413100000000 ] - [ 0.0006388100000000, 0.0000671400000000, -0.0006414500000000 ] - [ 0.0010527800000000, 0.0005777600000000, -0.0022848500000000 ] - [ -0.0004502100000000, 0.0002653600000000, -0.0003113600000000 ] - [ -0.0012577700000000, -0.0004861900000000, -0.0029352400000000 ] - [ 0.0007267700000000, -0.0018230500000000, 0.0004314000000000 ] - [ 0.0000961800000000, 0.0021275600000000, 0.0017711000000000 ] - [ 0.0009932600000000, -0.0002922300000000, 0.0024258100000000 ] - [ -0.0002033100000000, -0.0004278400000000, 0.0003228700000000 ] - [ -0.0043560800000000, -0.0006051700000000, -0.0026023600000000 ] - [ -0.0005108800000000, -0.0001647600000000, -0.0002675000000000 ] - [ 0.0089166700000000, -0.0166029600000000, -0.0259802800000000 ] - [ -0.0007807500000000, 0.0003924000000000, 0.0003124000000000 ] - [ 0.0003338600000000, 0.0011244700000000, -0.0021851300000000 ] - [ 0.0001684000000000, -0.0000978300000000, -0.0001463100000000 ] - [ 0.0001374900000000, -0.0001589500000000, -0.0001442200000000 ] - [ -0.0000110100000000, 0.0000350700000000, -0.0000342600000000 ] - [ 0.0010114000000000, 0.0004619200000000, 0.0003764800000000 ] - [ 0.0002383000000000, -0.0000117900000000, 0.0001473700000000 ] - [ 0.0020661500000000, -0.0006157700000000, -0.0024917700000000 ] - [ 0.0000114200000000, 0.0002144200000000, -0.0003106700000000 ] - [ 0.0001459300000000, -0.0002712100000000, -0.0000488800000000 ] - [ 0.0002199600000000, -0.0004577100000000, 0.0000220300000000 ] - [ 0.0003943100000000, 0.0000979300000000, -0.0001330600000000 ] - [ 0.0003388400000000, -0.0000365100000000, -0.0000346500000000 ] - [ 0.0020193100000000, 0.0013441100000000, 0.0008624900000000 ] - [ 0.0001730600000000, -0.0003163100000000, 0.0001891700000000 ] - [ 0.0010249700000000, 0.0005669900000000, -0.0009637600000000 ] - [ 0.0003621400000000, 0.0002799100000000, -0.0001750300000000 ] - [ 0.0007590500000000, -0.0002549900000000, 0.0000003500000000 ] - [ 0.0003433100000000, 0.0000280800000000, -0.0000553700000000 ] - [ -0.0001986000000000, 0.0006153100000000, 0.0007553200000000 ] - [ -0.0000487300000000, -0.0004053300000000, 0.0006552600000000 ] - [ 0.0005639500000000, 0.0000358300000000, -0.0001381900000000 ] - [ 0.0005716200000000, -0.0000207400000000, -0.0001430800000000 ] - [ 0.0005722400000000, -0.0000759600000000, -0.0014150200000000 ] - [ 0.0002608200000000, -0.0005957800000000, -0.0011087300000000 ] - [ 0.0003890500000000, -0.0001049300000000, -0.0002583700000000 ] - [ 0.0000086600000000, -0.0001976000000000, -0.0002079900000000 ] - [ 0.0001678800000000, -0.0000480500000000, -0.0004956300000000 ] - [ 0.0003130300000000, -0.0002790200000000, -0.0006037200000000 ] - [ 0.0007894400000000, 0.0000315700000000, 0.0015910000000000 ] - [ 0.0003687400000000, -0.0000100900000000, 0.0005035000000000 ] - [ -0.0010468400000000, 0.0001782600000000, 0.0001386100000000 ] - [ -0.0003717400000000, 0.0000715500000000, -0.0001221600000000 ] - [ 0.0013498900000000, -0.0001762100000000, -0.0000052100000000 ] - [ 0.0003864700000000, -0.0004875800000000, 0.0001207700000000 ] - [ 0.0004282700000000, 0.0005592000000000, -0.0004916800000000 ] - [ 0.0004220900000000, -0.0004359200000000, -0.0002467000000000 ] - [ 0.0001819100000000, -0.0000504300000000, 0.0002550800000000 ] - [ 0.0000274200000000, -0.0000936200000000, -0.0000762300000000 ] - [ 0.0004319800000000, -0.0000108300000000, 0.0001393100000000 ] - [ 0.0002198000000000, 0.0000813600000000, 0.0001631100000000 ] - [ 0.0001205600000000, -0.0000011100000000, 0.0002125800000000 ] - [ 0.0001120100000000, -0.0004486400000000, 0.0004313200000000 ]- atom: 75 displacement: [ -0.0099999989202427, 0.0000000000000000, -0.0000046470576681 ] forces: - [ -0.0007580200000000, -0.0004205600000000, -0.0006203400000000 ] - [ -0.0011105600000000, 0.0003915700000000, -0.0004471600000000 ] - [ -0.0018852300000000, -0.0002408100000000, 0.0002853000000000 ] - [ -0.0001777400000000, -0.0008380000000000, 0.0000166700000000 ] - [ 0.0002103500000000, -0.0002211600000000, 0.0004724600000000 ] - [ 0.0002661200000000, 0.0003422500000000, 0.0005631900000000 ] - [ 0.0009556700000000, -0.0004550200000000, -0.0000431600000000 ] - [ 0.0002136200000000, 0.0003568300000000, -0.0000288300000000 ] - [ -0.0001174800000000, -0.0000225400000000, 0.0003092000000000 ] - [ -0.0000924500000000, -0.0000353100000000, 0.0001416900000000 ] - [ 0.0007691800000000, 0.0000826300000000, 0.0003087700000000 ] - [ 0.0003968400000000, -0.0000581700000000, 0.0000489200000000 ] - [ 0.0004253100000000, 0.0000571200000000, -0.0008686500000000 ] - [ 0.0001620200000000, -0.0000307100000000, -0.0002495200000000 ] - [ 0.0030717600000000, -0.0017127300000000, 0.0009449100000000 ] - [ -0.0002502900000000, 0.0002669200000000, 0.0001028700000000 ] - [ 0.0008322400000000, -0.0006462500000000, 0.0018469200000000 ] - [ -0.0003068200000000, 0.0004982700000000, 0.0005457000000000 ] - [ -0.0015155200000000, 0.0016345000000000, -0.0076979200000000 ] - [ -0.0004500100000000, 0.0004699300000000, -0.0002056600000000 ] - [ -0.1027911300000000, 0.0126976300000000, 0.0777153800000000 ] - [ -0.0005692400000000, -0.0000507500000000, -0.0000903400000000 ] - [ -0.0021554400000000, -0.0056786800000000, 0.0041741500000000 ] - [ -0.0021906100000000, 0.0031757500000000, 0.0010112600000000 ] - [ 0.0023532600000000, -0.0012168000000000, 0.0056225800000000 ] - [ -0.0003424800000000, -0.0000591000000000, 0.0004786200000000 ] - [ 0.0038562400000000, 0.0004335500000000, -0.0041337900000000 ] - [ 0.0007971000000000, -0.0001719500000000, -0.0007336100000000 ] - [ 0.0014306800000000, 0.0000852500000000, -0.0022531800000000 ] - [ 0.0003027200000000, -0.0002488800000000, -0.0006421300000000 ] - [ 0.0001712000000000, -0.0001243700000000, 0.0007426400000000 ] - [ -0.0000249900000000, -0.0001556800000000, 0.0002797200000000 ] - [ 0.0009662900000000, 0.0003788900000000, 0.0003748700000000 ] - [ 0.0009505500000000, -0.0003096600000000, 0.0002980200000000 ] - [ 0.0014542300000000, -0.0000799200000000, -0.0001246100000000 ] - [ 0.0003711000000000, 0.0001387000000000, -0.0000263900000000 ] - [ 0.0003163500000000, 0.0002101700000000, -0.0009687300000000 ] - [ 0.0004734100000000, -0.0002044600000000, -0.0008241000000000 ] - [ 0.0015487600000000, 0.0012214600000000, 0.0029615100000000 ] - [ 0.0000908700000000, -0.0006368100000000, 0.0005592500000000 ] - [ -0.0437801000000000, -0.0121216100000000, -0.0059971700000000 ] - [ -0.0008805100000000, -0.0005402400000000, 0.0006713600000000 ] - [ 0.0009421700000000, 0.0001762400000000, 0.0016002500000000 ] - [ -0.0001525900000000, 0.0000851900000000, 0.0004678100000000 ] - [ 0.0063907000000000, 0.0022148100000000, 0.0070802700000000 ] - [ 0.0006006500000000, -0.0012554700000000, -0.0006362400000000 ] - [ -0.0039611900000000, 0.0005083700000000, 0.0013732500000000 ] - [ -0.0001964300000000, -0.0000861400000000, -0.0000837300000000 ] - [ 0.0004371900000000, 0.0000279100000000, -0.0001119700000000 ] - [ 0.0002020700000000, -0.0000354900000000, 0.0000674200000000 ] - [ -0.0001590700000000, 0.0005188200000000, -0.0007413000000000 ] - [ 0.0002586100000000, -0.0012737100000000, -0.0021424000000000 ] - [ 0.0018833000000000, 0.0005661300000000, -0.0006087200000000 ] - [ 0.0003905100000000, -0.0005167700000000, 0.0001098900000000 ] - [ 0.0006203700000000, 0.0001803900000000, -0.0002559800000000 ] - [ 0.0010634400000000, 0.0005084400000000, -0.0015652900000000 ] - [ -0.0005542100000000, 0.0022096400000000, -0.0028560400000000 ] - [ 0.0003188100000000, -0.0001116600000000, -0.0000108700000000 ] - [ -0.0122307300000000, -0.0061909200000000, 0.0043050500000000 ] - [ 0.0001939100000000, 0.0006517200000000, 0.0002329300000000 ] - [ -0.0004610900000000, 0.0002456000000000, -0.0005752800000000 ] - [ -0.0002108600000000, 0.0001949700000000, -0.0002129000000000 ] - [ 0.0001037500000000, -0.0001165200000000, -0.0022639400000000 ] - [ 0.0001795100000000, -0.0004212700000000, 0.0003695100000000 ] - [ 0.0021059400000000, -0.0089460600000000, -0.0166388900000000 ] - [ 0.0003493100000000, 0.0002902200000000, -0.0001606700000000 ] - [ -0.0040953600000000, -0.0004670600000000, -0.0000834100000000 ] - [ -0.0003566600000000, 0.0003186300000000, 0.0003555100000000 ] - [ 0.0006160100000000, -0.0001930300000000, -0.0020171700000000 ] - [ 0.0004455000000000, 0.0004608000000000, -0.0001694600000000 ] - [ -0.0016453400000000, 0.0076663000000000, 0.0019336300000000 ] - [ 0.0007913800000000, -0.0003682900000000, -0.0001486400000000 ] - [ -0.0012524000000000, 0.0006579200000000, 0.0015830100000000 ] - [ -0.0003500500000000, 0.0001830100000000, 0.0003929900000000 ] - [ 0.1558321000000000, -0.0053289900000000, -0.0924191700000000 ] - [ 0.0006170800000000, 0.0001175400000000, -0.0001880600000000 ] - [ -0.0005841000000000, -0.0006158400000000, -0.0012747500000000 ] - [ -0.0000098200000000, -0.0004173600000000, -0.0006885700000000 ] - [ 0.0014964900000000, 0.0008221500000000, -0.0008904800000000 ] - [ 0.0089507100000000, -0.0037274500000000, -0.0019174800000000 ] - [ -0.0011055300000000, 0.0000261500000000, -0.0016363400000000 ] - [ -0.0001344100000000, -0.0000690000000000, -0.0003227700000000 ] - [ 0.0000040600000000, 0.0002225200000000, 0.0008429600000000 ] - [ -0.0004110900000000, -0.0002771900000000, 0.0024757800000000 ] - [ -0.0001974700000000, 0.0000118900000000, 0.0000937700000000 ] - [ 0.0006264900000000, 0.0007735200000000, 0.0027077200000000 ] - [ -0.0002879200000000, 0.0013105300000000, -0.0000391500000000 ] - [ 0.0002977600000000, -0.0025893200000000, -0.0013622500000000 ] - [ -0.0013702500000000, 0.0003416400000000, -0.0023341500000000 ] - [ -0.0001843300000000, 0.0004534900000000, -0.0002616800000000 ] - [ 0.0042519500000000, 0.0003987000000000, 0.0025101600000000 ] - [ 0.0004224900000000, -0.0000600000000000, 0.0003549200000000 ] - [ -0.0091036300000000, 0.0169131600000000, 0.0262037800000000 ] - [ 0.0006043100000000, -0.0002157800000000, -0.0001706600000000 ] - [ 0.0000369100000000, -0.0011576700000000, 0.0020973200000000 ] - [ 0.0001922700000000, 0.0000586600000000, 0.0000728200000000 ] - [ -0.0004663900000000, 0.0000872100000000, 0.0003444800000000 ] - [ -0.0003230700000000, -0.0001226800000000, 0.0002334700000000 ] - [ -0.0010374500000000, -0.0002461000000000, -0.0003506700000000 ] - [ -0.0002743200000000, 0.0002141200000000, -0.0001222600000000 ] - [ -0.0021741500000000, 0.0009494800000000, 0.0024785000000000 ] - [ -0.0001106100000000, 0.0001198500000000, 0.0003043600000000 ] - [ -0.0003375400000000, -0.0003857900000000, 0.0009188500000000 ] - [ -0.0004100700000000, -0.0002025500000000, 0.0008470100000000 ] - [ -0.0003604900000000, 0.0001080500000000, 0.0001047500000000 ] - [ -0.0002969800000000, 0.0002335400000000, 0.0000073400000000 ] - [ -0.0018496800000000, -0.0011671600000000, -0.0009938100000000 ] - [ 0.0000048100000000, 0.0004972000000000, -0.0003104400000000 ] - [ -0.0008847900000000, -0.0002214500000000, 0.0009532300000000 ] - [ -0.0002341200000000, 0.0000608900000000, 0.0001723600000000 ] - [ -0.0004282800000000, 0.0001775400000000, -0.0002055800000000 ] - [ -0.0000059200000000, -0.0001250800000000, -0.0001440500000000 ] - [ -0.0001657800000000, -0.0006608600000000, -0.0006852100000000 ] - [ -0.0003106000000000, 0.0003638400000000, -0.0005886000000000 ] - [ -0.0001892600000000, 0.0000051100000000, 0.0000916400000000 ] - [ -0.0001861400000000, 0.0000592700000000, 0.0000826500000000 ] - [ -0.0003728700000000, -0.0005787400000000, 0.0005380500000000 ] - [ -0.0000626000000000, -0.0000623900000000, 0.0002295800000000 ] - [ -0.0008143800000000, -0.0003850900000000, -0.0001233100000000 ] - [ -0.0004318500000000, -0.0002953800000000, -0.0001717900000000 ] - [ -0.0000743500000000, -0.0001742600000000, 0.0004177900000000 ] - [ -0.0002229100000000, 0.0000608600000000, 0.0005149700000000 ] - [ -0.0001513000000000, 0.0002546500000000, -0.0013857200000000 ] - [ 0.0002733900000000, 0.0002967100000000, -0.0002964900000000 ] - [ 0.0003902600000000, 0.0001058200000000, -0.0003629400000000 ] - [ -0.0002761200000000, 0.0002116100000000, -0.0000844200000000 ] - [ -0.0009241700000000, -0.0003148600000000, 0.0003855600000000 ] - [ 0.0000394900000000, -0.0000067200000000, 0.0002562300000000 ] - [ -0.0008084800000000, -0.0005211400000000, 0.0005456200000000 ] - [ -0.0008083100000000, 0.0004759000000000, 0.0003090400000000 ] - [ -0.0002747900000000, -0.0001706900000000, -0.0001924300000000 ] - [ -0.0001148300000000, -0.0001258800000000, 0.0001492100000000 ] - [ -0.0006062800000000, 0.0001899700000000, -0.0000159000000000 ] - [ -0.0003967700000000, 0.0001004900000000, -0.0000332700000000 ] - [ 0.0002373100000000, -0.0000479400000000, -0.0002821100000000 ] - [ 0.0002419200000000, 0.0004074100000000, -0.0004986900000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003187200000000, -0.0014288800000000, -0.0012875500000000 ] - [ -0.0002428500000000, 0.0004679800000000, 0.0014917000000000 ] - [ 0.0005633200000000, 0.0031861200000000, -0.0000226600000000 ] - [ 0.0013691100000000, -0.0017250100000000, -0.0006026200000000 ] - [ 0.0001545100000000, -0.0003689000000000, 0.0004308100000000 ] - [ -0.0006303800000000, -0.0001403900000000, -0.0008764800000000 ] - [ 0.0010669700000000, 0.0003901600000000, 0.0000211000000000 ] - [ -0.0005312100000000, -0.0003986000000000, 0.0000794800000000 ] - [ -0.0003708700000000, 0.0004136700000000, -0.0001966800000000 ] - [ -0.0001253000000000, -0.0003420600000000, -0.0000925900000000 ] - [ -0.0000406900000000, 0.0003357600000000, -0.0002750900000000 ] - [ 0.0002424800000000, -0.0003325800000000, -0.0000518000000000 ] - [ 0.0008187900000000, 0.0004803600000000, -0.0006647700000000 ] - [ 0.0001849700000000, -0.0003760600000000, -0.0000141000000000 ] - [ 0.0011327700000000, 0.0012272500000000, 0.0008975600000000 ] - [ -0.0003641300000000, -0.0006994500000000, 0.0000319900000000 ] - [ -0.0004859100000000, 0.0012645900000000, 0.0000538000000000 ] - [ -0.0001998800000000, -0.0014498700000000, -0.0003452100000000 ] - [ 0.0012856200000000, 0.0027219300000000, -0.0073126900000000 ] - [ -0.0001494500000000, -0.0013468000000000, 0.0008726100000000 ] - [ -0.0101834800000000, 0.0312597300000000, 0.0177108300000000 ] - [ 0.0007071600000000, -0.0049481800000000, 0.0008733400000000 ] - [ 0.0028407100000000, -0.0110372500000000, 0.0084754000000000 ] - [ -0.0148932300000000, -0.0058486500000000, -0.0003129000000000 ] - [ -0.0019431100000000, 0.0125983300000000, 0.0035211000000000 ] - [ -0.0012569500000000, -0.0048504200000000, -0.0001555200000000 ] - [ 0.0002225900000000, 0.0011778800000000, 0.0001977200000000 ] - [ 0.0008020700000000, -0.0011814300000000, -0.0003829800000000 ] - [ 0.0011912700000000, 0.0018796800000000, -0.0003873000000000 ] - [ 0.0002295100000000, -0.0013735200000000, -0.0004436700000000 ] - [ -0.0006229700000000, -0.0003349400000000, -0.0010823300000000 ] - [ -0.0005444700000000, 0.0000394100000000, 0.0000137500000000 ] - [ 0.0000970300000000, -0.0004043900000000, 0.0000473100000000 ] - [ 0.0000278400000000, 0.0002373800000000, -0.0003666600000000 ] - [ 0.0000416600000000, 0.0011538700000000, -0.0002422200000000 ] - [ 0.0001297500000000, -0.0007564300000000, -0.0001122100000000 ] - [ -0.0005435600000000, -0.0004592100000000, -0.0003413800000000 ] - [ 0.0006449200000000, 0.0003233700000000, -0.0001060100000000 ] - [ -0.0029494000000000, -0.0000217000000000, -0.0009703500000000 ] - [ 0.0006440400000000, -0.0002345800000000, 0.0006368300000000 ] - [ 0.0108502100000000, 0.0781577500000000, 0.0293307800000000 ] - [ -0.0004736500000000, -0.0043544800000000, 0.0015219800000000 ] - [ -0.0012146100000000, 0.0009101100000000, -0.0005170400000000 ] - [ -0.0011874500000000, -0.0005762900000000, 0.0001197400000000 ] - [ -0.0009199400000000, 0.0032315800000000, -0.0006401500000000 ] - [ 0.0006780900000000, -0.0032779700000000, -0.0007441500000000 ] - [ -0.0038841800000000, 0.0024322700000000, -0.0028412800000000 ] - [ 0.0006676100000000, -0.0010165800000000, 0.0000478900000000 ] - [ 0.0001045300000000, 0.0002238300000000, -0.0004033400000000 ] - [ -0.0001304000000000, -0.0003801000000000, 0.0001163700000000 ] - [ -0.0000626800000000, 0.0000005000000000, -0.0003727100000000 ] - [ 0.0005203100000000, -0.0010241800000000, -0.0002797600000000 ] - [ -0.0012877700000000, 0.0004211500000000, 0.0006422300000000 ] - [ 0.0005686300000000, -0.0005429900000000, -0.0002186300000000 ] - [ 0.0002104000000000, 0.0003039600000000, 0.0002716900000000 ] - [ 0.0004486600000000, -0.0001131600000000, -0.0020808300000000 ] - [ -0.0045333200000000, -0.0005456500000000, -0.0062627900000000 ] - [ 0.0027082600000000, 0.0054357300000000, 0.0030879600000000 ] - [ 0.0042017000000000, -0.0039806500000000, -0.0022875100000000 ] - [ 0.0003242400000000, 0.0022957800000000, 0.0003237600000000 ] - [ 0.0004800100000000, -0.0002760600000000, 0.0000672100000000 ] - [ 0.0002371700000000, 0.0004291000000000, 0.0000815400000000 ] - [ 0.0008524600000000, -0.0025106800000000, -0.0004751400000000 ] - [ -0.0002345300000000, 0.0006921600000000, 0.0005786800000000 ] - [ 0.0118632700000000, -0.0019695200000000, 0.0175603100000000 ] - [ -0.0006417700000000, 0.0021898300000000, -0.0008417200000000 ] - [ 0.0012477300000000, -0.0004467700000000, -0.0001182300000000 ] - [ -0.0002790200000000, 0.0007927500000000, 0.0002247200000000 ] - [ 0.0025061300000000, 0.0003776100000000, 0.0023678600000000 ] - [ -0.0000363000000000, 0.0007838500000000, -0.0005030100000000 ] - [ -0.0127415100000000, 0.0107184200000000, 0.0032886500000000 ] - [ 0.0016309900000000, 0.0040993900000000, -0.0025034000000000 ] - [ -0.0006573200000000, -0.0010832100000000, 0.0001162900000000 ] - [ -0.0003292500000000, 0.0009161500000000, 0.0003422700000000 ] - [ 0.0065137700000000, -0.1761414300000000, -0.1002172700000000 ] - [ 0.0000867900000000, 0.0027413300000000, 0.0003912300000000 ] - [ 0.0002815800000000, -0.0010101200000000, -0.0002156800000000 ] - [ 0.0004779400000000, 0.0005395700000000, -0.0004549600000000 ] - [ 0.0002721600000000, 0.0044405500000000, -0.0021933500000000 ] - [ 0.0143494200000000, 0.0526294600000000, 0.0070241000000000 ] - [ 0.0013670700000000, -0.0019172900000000, 0.0002954700000000 ] - [ 0.0007290200000000, 0.0008503500000000, 0.0006701100000000 ] - [ -0.0002396700000000, 0.0006569800000000, 0.0004095500000000 ] - [ 0.0002292700000000, 0.0001392800000000, 0.0003711900000000 ] - [ -0.0002139700000000, 0.0003933700000000, -0.0004933400000000 ] - [ -0.0004678700000000, 0.0006837000000000, 0.0027307700000000 ] - [ -0.0012210400000000, 0.0029087900000000, -0.0002647800000000 ] - [ 0.0031666100000000, -0.0015844100000000, -0.0004217600000000 ] - [ 0.0001236800000000, -0.0032066100000000, -0.0002624100000000 ] - [ 0.0002505000000000, 0.0022174700000000, -0.0007195100000000 ] - [ -0.0010295100000000, -0.0033975100000000, 0.0076187600000000 ] - [ -0.0003066800000000, 0.0007595300000000, -0.0004049600000000 ] - [ -0.0142185000000000, 0.0058413700000000, 0.0206629100000000 ] - [ 0.0002546400000000, 0.0013001700000000, -0.0005802900000000 ] - [ -0.0003277000000000, -0.0025763100000000, 0.0014083900000000 ] - [ 0.0001626300000000, 0.0010285300000000, -0.0001625600000000 ] - [ -0.0003669800000000, -0.0006154000000000, 0.0001053600000000 ] - [ -0.0000745000000000, 0.0005138200000000, 0.0002876500000000 ] - [ 0.0005824100000000, 0.0001162400000000, 0.0001026400000000 ] - [ -0.0001067200000000, 0.0002187200000000, 0.0000592700000000 ] - [ -0.0020160200000000, 0.0004751400000000, 0.0016425100000000 ] - [ -0.0002582600000000, 0.0006076300000000, 0.0000795000000000 ] - [ -0.0001412100000000, -0.0008749900000000, 0.0006579000000000 ] - [ -0.0003128100000000, 0.0003168000000000, 0.0008481800000000 ] - [ 0.0000446400000000, 0.0000757700000000, 0.0002290200000000 ] - [ -0.0001658300000000, 0.0002263100000000, -0.0000359700000000 ] - [ 0.0019800700000000, 0.0001260900000000, -0.0001562700000000 ] - [ -0.0004159100000000, 0.0004409700000000, -0.0003815200000000 ] - [ -0.0001544800000000, -0.0002352900000000, 0.0005136900000000 ] - [ -0.0000384600000000, 0.0003834400000000, -0.0000331000000000 ] - [ 0.0001917200000000, -0.0005560300000000, 0.0001671900000000 ] - [ 0.0001572900000000, 0.0003992700000000, -0.0001478500000000 ] - [ 0.0001357600000000, 0.0008194400000000, 0.0003873300000000 ] - [ 0.0000494400000000, -0.0004398900000000, -0.0003058500000000 ] - [ 0.0001530900000000, 0.0001109800000000, 0.0000879200000000 ] - [ 0.0002069300000000, 0.0001074000000000, 0.0002053600000000 ] - [ -0.0001534500000000, -0.0008934400000000, -0.0008805700000000 ] - [ -0.0001185100000000, 0.0002852500000000, -0.0000987100000000 ] - [ -0.0003083800000000, -0.0007162000000000, 0.0000162800000000 ] - [ -0.0001826300000000, 0.0001349700000000, -0.0002144100000000 ] - [ -0.0001837700000000, 0.0000597900000000, 0.0002754800000000 ] - [ -0.0005884600000000, -0.0000434700000000, -0.0002335200000000 ] - [ 0.0011079300000000, -0.0005368300000000, 0.0007984300000000 ] - [ 0.0003726900000000, 0.0004686600000000, -0.0000115100000000 ] - [ 0.0004749000000000, -0.0000176500000000, 0.0014320700000000 ] - [ -0.0002783100000000, 0.0004720900000000, -0.0001285800000000 ] - [ 0.0004623900000000, -0.0010685600000000, -0.0000168300000000 ] - [ -0.0000154600000000, 0.0003454300000000, 0.0003269100000000 ] - [ 0.0002610400000000, 0.0001646400000000, -0.0000891200000000 ] - [ -0.0007358000000000, 0.0001627900000000, 0.0000228400000000 ] - [ 0.0000724100000000, -0.0000722900000000, -0.0000114100000000 ] - [ 0.0002969700000000, -0.0000641100000000, 0.0007638900000000 ] - [ -0.0002849800000000, 0.0000628200000000, 0.0004007600000000 ] - [ -0.0000085500000000, 0.0002018000000000, 0.0001485600000000 ] - [ 0.0004342300000000, 0.0005210500000000, 0.0002305900000000 ] - [ 0.0001982300000000, -0.0003917600000000, 0.0000545000000000 ]- atom: 75 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000613100000000, 0.0014188300000000, 0.0013788600000000 ] - [ -0.0000167000000000, -0.0004553300000000, -0.0014029500000000 ] - [ -0.0003600700000000, -0.0033005200000000, 0.0000407700000000 ] - [ -0.0010655400000000, 0.0016909200000000, 0.0005281300000000 ] - [ 0.0000999900000000, 0.0003645600000000, -0.0005185200000000 ] - [ 0.0008850200000000, 0.0001422300000000, 0.0007887500000000 ] - [ -0.0013583700000000, -0.0004228900000000, 0.0000479200000000 ] - [ 0.0002364400000000, 0.0003752400000000, -0.0000090800000000 ] - [ 0.0001141800000000, -0.0004169700000000, 0.0002817800000000 ] - [ -0.0001307100000000, 0.0003397900000000, 0.0001769000000000 ] - [ 0.0003349100000000, -0.0003614600000000, 0.0002057600000000 ] - [ 0.0000487600000000, 0.0003041300000000, -0.0000184500000000 ] - [ -0.0005541900000000, -0.0004832800000000, 0.0005678400000000 ] - [ 0.0000717600000000, 0.0003738300000000, -0.0000712700000000 ] - [ -0.0014289200000000, -0.0012467600000000, -0.0008211300000000 ] - [ 0.0000746300000000, 0.0006716500000000, 0.0000388200000000 ] - [ 0.0004742900000000, -0.0011526200000000, -0.0000622000000000 ] - [ 0.0001978200000000, 0.0015344000000000, 0.0003467500000000 ] - [ -0.0018195500000000, -0.0025285200000000, 0.0074468800000000 ] - [ -0.0003725800000000, 0.0015320600000000, -0.0007256000000000 ] - [ 0.0101945700000000, -0.0310207900000000, -0.0168810300000000 ] - [ -0.0002615200000000, 0.0049352700000000, -0.0004943500000000 ] - [ -0.0028876000000000, 0.0113334400000000, -0.0084694800000000 ] - [ 0.0147869300000000, 0.0061701100000000, 0.0003158100000000 ] - [ 0.0015036800000000, -0.0126176700000000, -0.0038552800000000 ] - [ 0.0008011100000000, 0.0048405300000000, -0.0002106400000000 ] - [ 0.0003321500000000, -0.0009876200000000, -0.0003763600000000 ] - [ -0.0002761000000000, 0.0013676300000000, 0.0002303600000000 ] - [ -0.0011801600000000, -0.0017915600000000, 0.0003755200000000 ] - [ -0.0002267400000000, 0.0014727100000000, 0.0004388100000000 ] - [ 0.0000922300000000, 0.0005064700000000, 0.0012328500000000 ] - [ 0.0000177600000000, 0.0001608500000000, 0.0001387900000000 ] - [ 0.0003480900000000, 0.0004096900000000, 0.0003159600000000 ] - [ 0.0004187200000000, -0.0002285000000000, 0.0007272700000000 ] - [ -0.0000384000000000, -0.0008716400000000, 0.0002381300000000 ] - [ -0.0001279400000000, 0.0010380200000000, 0.0001097400000000 ] - [ 0.0001027300000000, 0.0004617400000000, -0.0000252100000000 ] - [ -0.0010875800000000, -0.0003159400000000, -0.0002587700000000 ] - [ 0.0034636100000000, 0.0001980800000000, 0.0008214700000000 ] - [ -0.0001180600000000, 0.0004292100000000, -0.0007847600000000 ] - [ -0.0109369000000000, -0.0739241000000000, -0.0248110800000000 ] - [ 0.0002108200000000, 0.0042788100000000, -0.0013997300000000 ] - [ 0.0004339900000000, -0.0007410700000000, 0.0006661300000000 ] - [ 0.0004048300000000, 0.0007474900000000, 0.0000270100000000 ] - [ 0.0012395500000000, -0.0032855500000000, 0.0005943100000000 ] - [ -0.0004121300000000, 0.0031952300000000, 0.0006132900000000 ] - [ 0.0045791300000000, -0.0022746500000000, 0.0026655700000000 ] - [ 0.0001111400000000, 0.0011873600000000, -0.0001947700000000 ] - [ -0.0003711100000000, -0.0003026000000000, 0.0005281700000000 ] - [ -0.0001401000000000, 0.0003050200000000, 0.0000129700000000 ] - [ -0.0007068600000000, 0.0001676200000000, 0.0005220100000000 ] - [ -0.0012869400000000, 0.0011922900000000, 0.0004142500000000 ] - [ 0.0015549100000000, -0.0004982000000000, -0.0007716000000000 ] - [ -0.0002971900000000, 0.0004682800000000, 0.0000864000000000 ] - [ 0.0005644400000000, -0.0001362100000000, -0.0004235000000000 ] - [ 0.0003298400000000, 0.0002892300000000, 0.0019233900000000 ] - [ 0.0042367800000000, 0.0004411900000000, 0.0065147400000000 ] - [ -0.0030129200000000, -0.0054834800000000, -0.0028394200000000 ] - [ -0.0043066100000000, 0.0041277600000000, 0.0022899400000000 ] - [ -0.0003573500000000, -0.0020842200000000, -0.0003079500000000 ] - [ -0.0006054600000000, 0.0006129900000000, -0.0000712900000000 ] - [ -0.0003594000000000, -0.0000970200000000, -0.0000855300000000 ] - [ -0.0010138100000000, 0.0018361800000000, 0.0013710500000000 ] - [ 0.0000493800000000, -0.0013435000000000, 0.0003025600000000 ] - [ -0.0117905000000000, 0.0020445600000000, -0.0175772500000000 ] - [ 0.0006771600000000, -0.0019787900000000, 0.0008249900000000 ] - [ -0.0011003800000000, 0.0006192800000000, -0.0000052700000000 ] - [ 0.0004588300000000, -0.0006116200000000, -0.0003419200000000 ] - [ -0.0023738900000000, -0.0000298200000000, -0.0023778500000000 ] - [ 0.0001590900000000, -0.0004511300000000, 0.0005044400000000 ] - [ 0.0132529200000000, -0.0108757600000000, -0.0035770300000000 ] - [ -0.0012726600000000, -0.0041611100000000, 0.0022633100000000 ] - [ 0.0002783000000000, 0.0010428200000000, -0.0000353700000000 ] - [ -0.0000398400000000, -0.0009628300000000, -0.0002704800000000 ] - [ -0.0059727200000000, 0.1706693200000000, 0.0947678400000000 ] - [ 0.0002915400000000, -0.0026996500000000, -0.0004526200000000 ] - [ -0.0000924100000000, 0.0003531900000000, -0.0006674300000000 ] - [ -0.0002900600000000, -0.0011899100000000, -0.0004288800000000 ] - [ -0.0007015800000000, -0.0049361700000000, 0.0018060700000000 ] - [ -0.0145720600000000, -0.0519540100000000, -0.0072538200000000 ] - [ -0.0012768300000000, 0.0016977200000000, -0.0003531900000000 ] - [ -0.0006370600000000, -0.0010661700000000, -0.0007233800000000 ] - [ 0.0008702900000000, -0.0003627100000000, -0.0001950000000000 ] - [ 0.0003970300000000, 0.0001464000000000, -0.0001411000000000 ] - [ -0.0004174500000000, -0.0000992500000000, 0.0002835600000000 ] - [ -0.0001592800000000, -0.0003914300000000, -0.0029301100000000 ] - [ 0.0016622000000000, -0.0033932400000000, 0.0006528100000000 ] - [ -0.0027104200000000, 0.0010635100000000, 0.0007900600000000 ] - [ -0.0005014200000000, 0.0032511400000000, 0.0002960500000000 ] - [ -0.0006225300000000, -0.0021712100000000, 0.0007718800000000 ] - [ 0.0009384000000000, 0.0032375900000000, -0.0074833200000000 ] - [ 0.0002225100000000, -0.0009782900000000, 0.0004635600000000 ] - [ 0.0138968100000000, -0.0056205400000000, -0.0203513500000000 ] - [ -0.0004360600000000, -0.0011205800000000, 0.0006974500000000 ] - [ 0.0006950800000000, 0.0025221300000000, -0.0014680500000000 ] - [ 0.0002058800000000, -0.0010758900000000, 0.0000944100000000 ] - [ 0.0000305500000000, 0.0005325500000000, 0.0001121000000000 ] - [ -0.0002588900000000, -0.0005966300000000, -0.0000815600000000 ] - [ -0.0006148300000000, 0.0000936300000000, -0.0000838500000000 ] - [ 0.0000695900000000, -0.0000132700000000, -0.0000415300000000 ] - [ 0.0018728600000000, -0.0001378000000000, -0.0016307400000000 ] - [ 0.0001285100000000, -0.0002699300000000, -0.0000819300000000 ] - [ -0.0000453200000000, 0.0002229900000000, 0.0002289200000000 ] - [ 0.0001284800000000, -0.0009749900000000, 0.0000372600000000 ] - [ -0.0000088900000000, 0.0001314800000000, -0.0002433300000000 ] - [ 0.0002025600000000, -0.0000233700000000, 0.0000176600000000 ] - [ -0.0017986600000000, 0.0000562300000000, 0.0000291700000000 ] - [ 0.0005908400000000, -0.0002628200000000, 0.0002630400000000 ] - [ 0.0002715200000000, 0.0005643500000000, -0.0005028600000000 ] - [ 0.0001631100000000, -0.0000482400000000, 0.0000388500000000 ] - [ 0.0001418500000000, 0.0004712800000000, -0.0003795600000000 ] - [ 0.0001777900000000, -0.0004902600000000, -0.0000562100000000 ] - [ -0.0005009400000000, -0.0008544500000000, -0.0003145600000000 ] - [ -0.0004160600000000, 0.0003851700000000, 0.0003749000000000 ] - [ 0.0002220000000000, -0.0000698800000000, -0.0001402800000000 ] - [ 0.0001689700000000, -0.0000721400000000, -0.0002622800000000 ] - [ 0.0003341700000000, 0.0002406300000000, 0.0000009600000000 ] - [ 0.0002989800000000, -0.0009437200000000, -0.0007796000000000 ] - [ -0.0001335800000000, 0.0002258400000000, -0.0004045000000000 ] - [ -0.0002485900000000, -0.0006207900000000, -0.0001726000000000 ] - [ 0.0002604300000000, -0.0002767000000000, -0.0003414300000000 ] - [ 0.0006661800000000, -0.0001784600000000, 0.0001708800000000 ] - [ -0.0004694500000000, 0.0008258700000000, -0.0005814800000000 ] - [ 0.0002617900000000, -0.0001785800000000, 0.0002275300000000 ] - [ -0.0010833200000000, 0.0003233100000000, -0.0016213200000000 ] - [ -0.0003536700000000, -0.0001804300000000, -0.0000853300000000 ] - [ -0.0000228200000000, 0.0005786000000000, 0.0004056300000000 ] - [ 0.0004448100000000, -0.0008290800000000, 0.0000604600000000 ] - [ -0.0006425100000000, -0.0001275200000000, 0.0001485500000000 ] - [ 0.0003537400000000, -0.0001280900000000, 0.0000374200000000 ] - [ -0.0001557800000000, -0.0001469200000000, 0.0000722200000000 ] - [ -0.0003793100000000, -0.0001583800000000, -0.0006988100000000 ] - [ 0.0001052900000000, 0.0001190800000000, -0.0002848700000000 ] - [ -0.0001686600000000, -0.0000249100000000, -0.0000327200000000 ] - [ -0.0000608100000000, -0.0005647200000000, -0.0003016000000000 ] - [ 0.0001712200000000, 0.0003353300000000, -0.0001213100000000 ]- atom: 75 displacement: [ -0.0066066504307377, 0.0000000000000000, 0.0075068082489187 ] forces: - [ -0.0004467800000000, -0.0015827800000000, -0.0008093300000000 ] - [ -0.0005381000000000, 0.0017116400000000, -0.0004737000000000 ] - [ -0.0018677700000000, -0.0005143800000000, 0.0023285200000000 ] - [ 0.0002213800000000, -0.0015498900000000, 0.0002513400000000 ] - [ -0.0001979800000000, 0.0000921800000000, 0.0000751100000000 ] - [ -0.0008285500000000, -0.0004725100000000, -0.0003891700000000 ] - [ 0.0010940600000000, -0.0002819400000000, 0.0000667300000000 ] - [ 0.0000870900000000, 0.0002628300000000, -0.0000777800000000 ] - [ -0.0003490500000000, 0.0001914700000000, -0.0004251400000000 ] - [ -0.0002209300000000, -0.0001732600000000, -0.0000242800000000 ] - [ 0.0004312900000000, 0.0001808100000000, -0.0000472200000000 ] - [ 0.0003062900000000, -0.0001671600000000, -0.0001108600000000 ] - [ 0.0015927800000000, 0.0002236900000000, -0.0017886300000000 ] - [ 0.0003581400000000, -0.0001178500000000, -0.0002385100000000 ] - [ 0.0018477200000000, -0.0007954300000000, 0.0022987700000000 ] - [ -0.0002305100000000, 0.0000330500000000, 0.0003286700000000 ] - [ -0.0017627300000000, 0.0016178600000000, -0.0003691800000000 ] - [ -0.0007304300000000, -0.0006345300000000, 0.0001884100000000 ] - [ 0.0015337000000000, 0.0023054900000000, -0.0133273300000000 ] - [ -0.0000489800000000, 0.0003890600000000, -0.0001059000000000 ] - [ -0.1208969400000000, 0.0211206700000000, 0.1232563500000000 ] - [ -0.0003292600000000, -0.0008831200000000, 0.0006654300000000 ] - [ -0.0025947200000000, -0.0051350000000000, 0.0113648900000000 ] - [ -0.0046141700000000, 0.0003367800000000, 0.0031393800000000 ] - [ -0.0094762000000000, 0.0062820900000000, 0.0027166700000000 ] - [ -0.0010093100000000, -0.0010706100000000, 0.0002822600000000 ] - [ 0.0049096800000000, 0.0007975000000000, -0.0046513200000000 ] - [ 0.0011192800000000, -0.0005741200000000, -0.0007648400000000 ] - [ 0.0029375600000000, 0.0012107000000000, -0.0034123400000000 ] - [ 0.0007479800000000, -0.0009148600000000, -0.0009146600000000 ] - [ -0.0014347300000000, -0.0015176300000000, -0.0011603500000000 ] - [ -0.0004390100000000, 0.0005101800000000, -0.0001713200000000 ] - [ 0.0006118000000000, 0.0001506600000000, -0.0001593200000000 ] - [ 0.0004612500000000, -0.0001493000000000, -0.0005360400000000 ] - [ 0.0012884200000000, 0.0002557000000000, -0.0005362100000000 ] - [ 0.0003954800000000, -0.0001179900000000, -0.0002023200000000 ] - [ 0.0005887300000000, -0.0002022200000000, -0.0010796500000000 ] - [ 0.0010241000000000, 0.0000632400000000, -0.0007844000000000 ] - [ -0.0023870200000000, 0.0002590100000000, 0.0024801500000000 ] - [ -0.0001515700000000, -0.0000050000000000, 0.0009039300000000 ] - [ -0.0244127100000000, 0.0133509300000000, 0.0411439700000000 ] - [ -0.0008551100000000, -0.0009678200000000, 0.0011074500000000 ] - [ -0.0023714900000000, 0.0003037200000000, 0.0001634400000000 ] - [ -0.0008251500000000, -0.0001287100000000, 0.0002843300000000 ] - [ 0.0070979400000000, 0.0017788300000000, 0.0117581300000000 ] - [ 0.0007707100000000, -0.0015201900000000, -0.0004365100000000 ] - [ -0.0105323200000000, -0.0001201800000000, -0.0032840700000000 ] - [ 0.0001935300000000, -0.0002685900000000, -0.0000962300000000 ] - [ 0.0005725800000000, 0.0000134900000000, -0.0006476700000000 ] - [ 0.0002569200000000, -0.0001842700000000, -0.0001569700000000 ] - [ 0.0006422200000000, 0.0006454500000000, -0.0008876100000000 ] - [ 0.0014859400000000, -0.0021322400000000, -0.0026310700000000 ] - [ 0.0007748900000000, 0.0004959800000000, 0.0000107800000000 ] - [ 0.0002133100000000, -0.0005802700000000, 0.0001377500000000 ] - [ 0.0003578000000000, 0.0004079300000000, -0.0005319400000000 ] - [ 0.0009967200000000, 0.0002781100000000, -0.0034990400000000 ] - [ 0.0025409500000000, -0.0033516800000000, -0.0027313100000000 ] - [ 0.0007521200000000, 0.0009892300000000, -0.0000200500000000 ] - [ -0.0160014600000000, -0.0078331000000000, -0.0009505400000000 ] - [ 0.0001120600000000, 0.0010014600000000, 0.0000083600000000 ] - [ 0.0011458800000000, -0.0000199400000000, -0.0001542500000000 ] - [ 0.0002371700000000, 0.0001328900000000, -0.0000951400000000 ] - [ 0.0029844300000000, -0.0024715300000000, 0.0005357900000000 ] - [ 0.0001217000000000, -0.0000048100000000, 0.0003873100000000 ] - [ 0.0191609200000000, 0.0081614700000000, 0.0130184400000000 ] - [ 0.0002712200000000, 0.0004680400000000, -0.0003787300000000 ] - [ -0.0047783000000000, -0.0005929300000000, -0.0007874000000000 ] - [ -0.0003238700000000, 0.0003995400000000, 0.0003102500000000 ] - [ 0.0036963800000000, 0.0016890800000000, -0.0003158200000000 ] - [ 0.0004294000000000, 0.0003155300000000, -0.0002848800000000 ] - [ -0.0068071200000000, 0.0122333500000000, -0.0016642900000000 ] - [ 0.0008953800000000, 0.0004749900000000, -0.0010203600000000 ] - [ -0.0020378300000000, 0.0004947800000000, 0.0019691200000000 ] - [ -0.0005212400000000, 0.0004998800000000, 0.0005216700000000 ] - [ 0.1708950300000000, -0.0768498600000000, -0.2242183100000000 ] - [ 0.0005859600000000, 0.0003975100000000, -0.0004476800000000 ] - [ 0.0010617800000000, -0.0003815000000000, -0.0003106500000000 ] - [ 0.0003913100000000, 0.0000081500000000, -0.0005360700000000 ] - [ 0.0014277700000000, 0.0013880600000000, -0.0020606200000000 ] - [ 0.0079784800000000, 0.0026767500000000, -0.0082778400000000 ] - [ 0.0023135100000000, -0.0011166500000000, 0.0005459100000000 ] - [ 0.0004014900000000, 0.0001294000000000, -0.0000519400000000 ] - [ -0.0003649900000000, 0.0003761200000000, 0.0008956500000000 ] - [ -0.0009046200000000, -0.0002234000000000, 0.0027934500000000 ] - [ -0.0003122100000000, -0.0001546300000000, 0.0002698800000000 ] - [ 0.0000703800000000, 0.0015582000000000, 0.0050611900000000 ] - [ -0.0002462300000000, 0.0013279100000000, -0.0010065900000000 ] - [ 0.0011135700000000, -0.0024444700000000, -0.0028448200000000 ] - [ 0.0008000500000000, 0.0004356400000000, -0.0043785100000000 ] - [ 0.0000215700000000, 0.0008592400000000, -0.0004451900000000 ] - [ 0.0012972100000000, 0.0023019600000000, 0.0117343600000000 ] - [ 0.0001145000000000, 0.0000798500000000, -0.0000104100000000 ] - [ -0.0215744300000000, 0.0261207200000000, 0.0359228400000000 ] - [ 0.0006104300000000, -0.0001470700000000, -0.0004048500000000 ] - [ -0.0009982500000000, -0.0024342800000000, 0.0036733900000000 ] - [ 0.0001000100000000, 0.0003489500000000, 0.0000867000000000 ] - [ -0.0005884900000000, -0.0002359600000000, 0.0005306500000000 ] - [ -0.0003227000000000, 0.0001232400000000, 0.0003432500000000 ] - [ -0.0004605900000000, -0.0001322400000000, -0.0001721800000000 ] - [ -0.0000483100000000, 0.0002741200000000, 0.0000143600000000 ] - [ -0.0041183500000000, 0.0014145000000000, 0.0037182100000000 ] - [ -0.0004890500000000, 0.0002604600000000, 0.0003760000000000 ] - [ -0.0003913500000000, -0.0007468800000000, 0.0012233800000000 ] - [ -0.0006438500000000, 0.0002761800000000, 0.0013057400000000 ] - [ -0.0004387000000000, 0.0002886400000000, 0.0004502600000000 ] - [ -0.0003697800000000, 0.0002249800000000, 0.0001110300000000 ] - [ -0.0003033300000000, -0.0006198800000000, -0.0017340800000000 ] - [ 0.0000572200000000, 0.0004190000000000, -0.0006447300000000 ] - [ -0.0012303200000000, -0.0004281600000000, 0.0015809300000000 ] - [ -0.0003282900000000, 0.0000114700000000, 0.0003110500000000 ] - [ -0.0001478900000000, -0.0001272600000000, 0.0001492500000000 ] - [ 0.0000665000000000, -0.0000155200000000, -0.0000389100000000 ] - [ 0.0004290100000000, 0.0001731000000000, -0.0003630800000000 ] - [ 0.0004591100000000, -0.0005446000000000, -0.0005659400000000 ] - [ -0.0001414600000000, 0.0001845200000000, 0.0004021500000000 ] - [ -0.0001419700000000, 0.0001323700000000, 0.0003952800000000 ] - [ -0.0010672100000000, -0.0010592100000000, 0.0006811800000000 ] - [ -0.0004578700000000, 0.0002004900000000, 0.0004045700000000 ] - [ -0.0007824900000000, -0.0005451000000000, 0.0001182700000000 ] - [ -0.0004061200000000, -0.0002127100000000, -0.0000740500000000 ] - [ -0.0006625200000000, 0.0000185800000000, 0.0004824600000000 ] - [ -0.0010650500000000, 0.0000629300000000, 0.0005181700000000 ] - [ 0.0012895600000000, -0.0000750400000000, -0.0001203900000000 ] - [ 0.0005066900000000, 0.0002406200000000, -0.0001554700000000 ] - [ 0.0021048800000000, 0.0010152200000000, 0.0027665700000000 ] - [ -0.0002699900000000, 0.0002116500000000, -0.0000027000000000 ] - [ -0.0007040100000000, -0.0004995100000000, 0.0002201400000000 ] - [ 0.0000058000000000, 0.0001029600000000, 0.0002677900000000 ] - [ -0.0008071600000000, -0.0003291800000000, 0.0003160400000000 ] - [ -0.0009836500000000, 0.0004100500000000, 0.0001606500000000 ] - [ -0.0000240500000000, -0.0001987800000000, 0.0001805700000000 ] - [ 0.0002789000000000, -0.0000106800000000, 0.0010188500000000 ] - [ -0.0005035300000000, 0.0003424900000000, 0.0006874300000000 ] - [ -0.0003783800000000, 0.0000427900000000, 0.0002732700000000 ] - [ 0.0006163500000000, 0.0006197900000000, 0.0000340800000000 ] - [ 0.0004345700000000, -0.0006195000000000, 0.0002703300000000 ]- atom: 75 displacement: [ 0.0066066504307377, 0.0000000000000000, -0.0075068082489187 ] forces: - [ 0.0001953200000000, 0.0016034900000000, 0.0009053100000000 ] - [ 0.0002890800000000, -0.0017387400000000, 0.0005514400000000 ] - [ 0.0020419000000000, 0.0003091100000000, -0.0022932000000000 ] - [ 0.0000564800000000, 0.0015389200000000, -0.0003127000000000 ] - [ 0.0004579400000000, -0.0000975200000000, -0.0001576800000000 ] - [ 0.0010978600000000, 0.0004749900000000, 0.0003162600000000 ] - [ -0.0014005000000000, 0.0002556000000000, -0.0000006000000000 ] - [ -0.0003763700000000, -0.0002903000000000, 0.0001453700000000 ] - [ 0.0000919400000000, -0.0001980500000000, 0.0005162500000000 ] - [ -0.0000366700000000, 0.0001717700000000, 0.0001108900000000 ] - [ -0.0001392800000000, -0.0002106200000000, -0.0000203100000000 ] - [ -0.0000156700000000, 0.0001436400000000, 0.0000424000000000 ] - [ -0.0013517700000000, -0.0002301300000000, 0.0017254100000000 ] - [ -0.0001025100000000, 0.0001160500000000, 0.0001555100000000 ] - [ -0.0021739400000000, 0.0007744100000000, -0.0022400900000000 ] - [ -0.0000612900000000, -0.0000571900000000, -0.0002608600000000 ] - [ 0.0017784300000000, -0.0015421200000000, 0.0003708600000000 ] - [ 0.0007386600000000, 0.0007377000000000, -0.0001886900000000 ] - [ -0.0021161600000000, -0.0021178500000000, 0.0136207700000000 ] - [ -0.0004844500000000, -0.0001911500000000, 0.0002590300000000 ] - [ 0.1292528300000000, -0.0233721700000000, -0.1308281400000000 ] - [ 0.0007752600000000, 0.0009268100000000, -0.0003190800000000 ] - [ 0.0026599600000000, 0.0054607200000000, -0.0115587200000000 ] - [ 0.0047912800000000, -0.0000137800000000, -0.0031736000000000 ] - [ 0.0091813800000000, -0.0063557000000000, -0.0030747600000000 ] - [ 0.0005829300000000, 0.0011167100000000, -0.0006450900000000 ] - [ -0.0044292600000000, -0.0006246700000000, 0.0045174300000000 ] - [ -0.0006031300000000, 0.0007752800000000, 0.0006123000000000 ] - [ -0.0029650100000000, -0.0011296600000000, 0.0034341600000000 ] - [ -0.0007577800000000, 0.0010119300000000, 0.0009213700000000 ] - [ 0.0009295800000000, 0.0017223000000000, 0.0013300000000000 ] - [ -0.0000780400000000, -0.0003203700000000, 0.0003262800000000 ] - [ -0.0001710700000000, -0.0001453800000000, 0.0005267100000000 ] - [ -0.0000182700000000, 0.0001556400000000, 0.0009045800000000 ] - [ -0.0012957600000000, 0.0000210900000000, 0.0005458500000000 ] - [ -0.0003994800000000, 0.0004062800000000, 0.0002066800000000 ] - [ -0.0010354900000000, 0.0002143600000000, 0.0007268100000000 ] - [ -0.0014766000000000, -0.0000606700000000, 0.0004318500000000 ] - [ 0.0029369300000000, -0.0000772300000000, -0.0026575400000000 ] - [ 0.0006752700000000, 0.0001984200000000, -0.0010652500000000 ] - [ 0.0243061100000000, -0.0116507300000000, -0.0397288700000000 ] - [ 0.0005804100000000, 0.0009138100000000, -0.0009826900000000 ] - [ 0.0016261300000000, -0.0001392900000000, -0.0000097300000000 ] - [ 0.0000622600000000, 0.0003031100000000, -0.0001362100000000 ] - [ -0.0069009100000000, -0.0018730000000000, -0.0120327600000000 ] - [ -0.0005049700000000, 0.0014736200000000, 0.0003072000000000 ] - [ 0.0114936000000000, 0.0002817000000000, 0.0031764100000000 ] - [ 0.0005816700000000, 0.0004489800000000, -0.0000553800000000 ] - [ -0.0008458900000000, -0.0000898200000000, 0.0007870000000000 ] - [ -0.0005269300000000, 0.0001107700000000, 0.0002895200000000 ] - [ -0.0014265200000000, -0.0004734200000000, 0.0010441200000000 ] - [ -0.0022753900000000, 0.0023105600000000, 0.0027958200000000 ] - [ -0.0005088200000000, -0.0005762600000000, -0.0001361500000000 ] - [ 0.0000500800000000, 0.0005074700000000, -0.0002645000000000 ] - [ 0.0004150600000000, -0.0002379000000000, 0.0003875800000000 ] - [ -0.0002249800000000, -0.0001093300000000, 0.0033783600000000 ] - [ -0.0029215100000000, 0.0033481800000000, 0.0029553600000000 ] - [ -0.0011178800000000, -0.0011196700000000, 0.0002056400000000 ] - [ 0.0164111800000000, 0.0082922500000000, 0.0009606500000000 ] - [ -0.0001456600000000, -0.0008139000000000, 0.0000222500000000 ] - [ -0.0012814400000000, 0.0003595400000000, 0.0001506400000000 ] - [ -0.0003747900000000, 0.0002045300000000, 0.0000954000000000 ] - [ -0.0032046500000000, 0.0018427300000000, 0.0003627200000000 ] - [ -0.0003084300000000, -0.0006626400000000, 0.0004927800000000 ] - [ -0.0191377200000000, -0.0079930400000000, -0.0133148700000000 ] - [ -0.0002346800000000, -0.0002770600000000, 0.0003556400000000 ] - [ 0.0050022100000000, 0.0007794700000000, 0.0006887600000000 ] - [ 0.0005045200000000, -0.0002265600000000, -0.0004293900000000 ] - [ -0.0036220700000000, -0.0013691000000000, 0.0003259500000000 ] - [ -0.0003193800000000, 0.0000144900000000, 0.0002957100000000 ] - [ 0.0074331900000000, -0.0127224600000000, 0.0014682600000000 ] - [ -0.0005792800000000, -0.0005897100000000, 0.0008375600000000 ] - [ 0.0016873500000000, -0.0005480100000000, -0.0019132100000000 ] - [ 0.0001566200000000, -0.0005556000000000, -0.0004552600000000 ] - [ -0.1788987600000000, 0.0777597400000000, 0.2311242400000000 ] - [ -0.0002077600000000, -0.0003723600000000, 0.0003966200000000 ] - [ -0.0008870000000000, -0.0002746600000000, -0.0005714400000000 ] - [ -0.0002120300000000, -0.0006749900000000, -0.0003429700000000 ] - [ -0.0018886900000000, -0.0019052200000000, 0.0016995100000000 ] - [ -0.0085596600000000, -0.0036584400000000, 0.0078595600000000 ] - [ -0.0022705000000000, 0.0009090200000000, -0.0006384500000000 ] - [ -0.0003337800000000, -0.0003572800000000, -0.0000318900000000 ] - [ 0.0010072500000000, -0.0000912400000000, -0.0006916500000000 ] - [ 0.0015467900000000, 0.0005243500000000, -0.0026040100000000 ] - [ -0.0003227000000000, 0.0004420500000000, -0.0004825600000000 ] - [ -0.0006876900000000, -0.0012740900000000, -0.0052960500000000 ] - [ 0.0006986200000000, -0.0018552300000000, 0.0014149100000000 ] - [ -0.0007059900000000, 0.0019846200000000, 0.0032706400000000 ] - [ -0.0012004500000000, -0.0003977200000000, 0.0044897300000000 ] - [ -0.0004116100000000, -0.0008404300000000, 0.0005131900000000 ] - [ -0.0013891500000000, -0.0025558600000000, -0.0120879300000000 ] - [ -0.0001944000000000, -0.0003066400000000, 0.0000848900000000 ] - [ 0.0210883500000000, -0.0254652200000000, -0.0354407000000000 ] - [ -0.0007908900000000, 0.0003203300000000, 0.0005323800000000 ] - [ 0.0013801900000000, 0.0024096000000000, -0.0037700000000000 ] - [ 0.0002700200000000, -0.0004008000000000, -0.0001584800000000 ] - [ 0.0002514100000000, 0.0001432600000000, -0.0003308600000000 ] - [ -0.0000125100000000, -0.0002145900000000, -0.0001380600000000 ] - [ 0.0004322700000000, 0.0003408800000000, 0.0002001800000000 ] - [ 0.0000166700000000, -0.0000715600000000, 0.0000125300000000 ] - [ 0.0040074300000000, -0.0010896300000000, -0.0037313600000000 ] - [ 0.0003762700000000, 0.0000700600000000, -0.0003828700000000 ] - [ 0.0002062800000000, 0.0000924100000000, -0.0003522500000000 ] - [ 0.0004590200000000, -0.0009361800000000, -0.0004359300000000 ] - [ 0.0004673600000000, -0.0000815800000000, -0.0004848400000000 ] - [ 0.0003890100000000, -0.0000088900000000, -0.0001443100000000 ] - [ 0.0004889900000000, 0.0008047600000000, 0.0016231600000000 ] - [ 0.0001291300000000, -0.0002420200000000, 0.0005176800000000 ] - [ 0.0013709900000000, 0.0007721000000000, -0.0015907600000000 ] - [ 0.0004545500000000, 0.0003227600000000, -0.0003095900000000 ] - [ 0.0004811500000000, 0.0000461400000000, -0.0003583500000000 ] - [ 0.0002693100000000, -0.0000704800000000, -0.0001729900000000 ] - [ -0.0008074500000000, -0.0002289800000000, 0.0004345000000000 ] - [ -0.0008323600000000, 0.0005120600000000, 0.0006436300000000 ] - [ 0.0005230400000000, -0.0001460400000000, -0.0004592000000000 ] - [ 0.0005263300000000, -0.0000930500000000, -0.0004559700000000 ] - [ 0.0012657100000000, 0.0004079300000000, -0.0015614900000000 ] - [ 0.0006543600000000, -0.0008543800000000, -0.0012874800000000 ] - [ 0.0003551100000000, 0.0000596000000000, -0.0005058000000000 ] - [ -0.0000288400000000, -0.0002801900000000, -0.0003124800000000 ] - [ 0.0007499700000000, -0.0002423800000000, -0.0005550200000000 ] - [ 0.0011552200000000, -0.0002806300000000, -0.0005802300000000 ] - [ -0.0006688700000000, 0.0003739500000000, 0.0003228700000000 ] - [ 0.0001317100000000, 0.0000413400000000, 0.0003685200000000 ] - [ -0.0027793000000000, -0.0007360900000000, -0.0030193100000000 ] - [ -0.0003631900000000, 0.0000826200000000, -0.0001988400000000 ] - [ 0.0011394200000000, 0.0000136900000000, 0.0001615500000000 ] - [ 0.0004326200000000, -0.0006002700000000, 0.0001135600000000 ] - [ 0.0004307700000000, 0.0003719900000000, -0.0002681800000000 ] - [ 0.0006205300000000, -0.0003661200000000, -0.0001214500000000 ] - [ -0.0000555000000000, -0.0000214800000000, -0.0001136500000000 ] - [ -0.0003576300000000, -0.0002093400000000, -0.0009530200000000 ] - [ 0.0003232800000000, -0.0001649800000000, -0.0005665100000000 ] - [ 0.0001991600000000, 0.0001366300000000, -0.0001620500000000 ] - [ -0.0002552800000000, -0.0006711300000000, -0.0001061400000000 ] - [ -0.0000693000000000, 0.0005726500000000, -0.0003402800000000 ]- atom: 79 displacement: [ 0.0099999989202427, 0.0000000000000000, 0.0000046470576681 ] forces: - [ 0.0012114500000000, 0.0004380400000000, 0.0004187900000000 ] - [ -0.0000187600000000, -0.0002592700000000, 0.0002006000000000 ] - [ 0.0020290000000000, 0.0007543800000000, -0.0000984400000000 ] - [ 0.0002764900000000, -0.0012717300000000, 0.0000314500000000 ] - [ 0.0003636800000000, 0.0001737500000000, -0.0014101000000000 ] - [ 0.0001631600000000, -0.0001317300000000, -0.0003215700000000 ] - [ -0.0015574000000000, -0.0007947000000000, 0.0008168000000000 ] - [ -0.0004602100000000, 0.0002909500000000, 0.0002453900000000 ] - [ -0.0000236200000000, 0.0000432700000000, -0.0002274400000000 ] - [ 0.0000541300000000, -0.0000124900000000, -0.0000783700000000 ] - [ -0.0001893700000000, -0.0001361300000000, -0.0000764200000000 ] - [ -0.0008905800000000, 0.0002943200000000, -0.0003438800000000 ] - [ -0.0000724900000000, 0.0000700200000000, 0.0003531900000000 ] - [ -0.0001041700000000, -0.0001319900000000, 0.0002625600000000 ] - [ -0.0000428100000000, 0.0001869600000000, -0.0001288600000000 ] - [ -0.0028967800000000, -0.0012738000000000, -0.0012772600000000 ] - [ -0.0000927300000000, -0.0003846000000000, -0.0004754600000000 ] - [ -0.0006537900000000, 0.0001815500000000, -0.0021973200000000 ] - [ 0.0001998500000000, 0.0004548400000000, 0.0000623900000000 ] - [ 0.0012429200000000, 0.0011053200000000, 0.0116530000000000 ] - [ 0.0050442200000000, -0.0056030600000000, 0.0010082600000000 ] - [ 0.0090212500000000, 0.0025871400000000, -0.0025663100000000 ] - [ 0.1690826000000000, 0.0839231300000000, 0.0262309700000000 ] - [ 0.0010773900000000, -0.0008959400000000, 0.0006842500000000 ] - [ -0.0015328700000000, -0.0053962400000000, -0.0012045200000000 ] - [ -0.0005897200000000, 0.0034176300000000, -0.0008014900000000 ] - [ -0.0003134100000000, -0.0001868900000000, 0.0009864600000000 ] - [ -0.0013179800000000, 0.0001117800000000, 0.0040688500000000 ] - [ -0.0002650000000000, 0.0009508200000000, 0.0016097500000000 ] - [ -0.0017028500000000, -0.0009409200000000, 0.0018971100000000 ] - [ -0.0011675000000000, 0.0003854100000000, -0.0005852900000000 ] - [ -0.0008045500000000, -0.0000643200000000, -0.0002528700000000 ] - [ -0.0006550300000000, 0.0000825500000000, 0.0001535500000000 ] - [ -0.0001225000000000, -0.0001059200000000, 0.0000956700000000 ] - [ -0.0007610500000000, 0.0004692300000000, -0.0000654600000000 ] - [ -0.0010381600000000, -0.0000476000000000, -0.0000909800000000 ] - [ -0.0016060400000000, 0.0001729900000000, 0.0003535000000000 ] - [ -0.0005008600000000, -0.0001161700000000, 0.0000565500000000 ] - [ -0.0004228900000000, 0.0012558400000000, -0.0027110000000000 ] - [ -0.0000689000000000, -0.0003987300000000, -0.0010577000000000 ] - [ 0.0012391300000000, -0.0005462800000000, 0.0002358200000000 ] - [ 0.0418821400000000, 0.0016501900000000, -0.0000948200000000 ] - [ -0.0016572700000000, 0.0000811900000000, -0.0011075100000000 ] - [ -0.0012061500000000, 0.0002318500000000, -0.0008016300000000 ] - [ -0.0006492600000000, -0.0012892700000000, 0.0002663600000000 ] - [ -0.0030511900000000, 0.0091294000000000, 0.0043003400000000 ] - [ 0.0021832300000000, 0.0010341800000000, -0.0002235800000000 ] - [ 0.0011045300000000, -0.0007488800000000, -0.0006844600000000 ] - [ -0.0010759400000000, 0.0000260800000000, 0.0001855000000000 ] - [ -0.0005695800000000, -0.0001175100000000, 0.0001644500000000 ] - [ -0.0014653100000000, 0.0015608300000000, 0.0021625200000000 ] - [ -0.0005928900000000, -0.0003074900000000, 0.0006361000000000 ] - [ -0.0011911900000000, 0.0004422300000000, -0.0000356000000000 ] - [ -0.0001619900000000, -0.0005838100000000, -0.0002699900000000 ] - [ 0.0000780800000000, 0.0000065400000000, 0.0018890300000000 ] - [ 0.0004476700000000, -0.0003677100000000, -0.0000542600000000 ] - [ 0.0011991700000000, 0.0094403400000000, 0.0053382800000000 ] - [ -0.0009493100000000, -0.0008545400000000, -0.0004534800000000 ] - [ 0.0000829200000000, 0.0016382100000000, -0.0000733100000000 ] - [ 0.0014343100000000, -0.0069981600000000, -0.0044506000000000 ] - [ 0.0005211400000000, 0.0001870900000000, 0.0006167800000000 ] - [ 0.0002883400000000, 0.0000864700000000, 0.0002745600000000 ] - [ -0.0004171300000000, -0.0003527700000000, 0.0005854600000000 ] - [ 0.0000218800000000, 0.0002404900000000, 0.0019422600000000 ] - [ -0.0010603200000000, 0.0013793900000000, -0.0002401300000000 ] - [ -0.0039662000000000, -0.0138045300000000, 0.0127736600000000 ] - [ 0.0007102800000000, 0.0003983500000000, -0.0007043400000000 ] - [ 0.0026520600000000, -0.0011764700000000, -0.0032995700000000 ] - [ -0.0004761300000000, -0.0009185400000000, 0.0010303200000000 ] - [ 0.0000760700000000, 0.0004808400000000, 0.0003320400000000 ] - [ 0.0000926200000000, 0.0094796300000000, -0.0046210400000000 ] - [ -0.0013457400000000, 0.0003812800000000, 0.0001258800000000 ] - [ 0.0002076100000000, -0.0002482000000000, -0.0007252500000000 ] - [ 0.0004720200000000, -0.0007496200000000, -0.0014860200000000 ] - [ -0.0015319200000000, 0.0005178800000000, 0.0006712300000000 ] - [ -0.0090046100000000, 0.0146208900000000, 0.0028830500000000 ] - [ 0.0005193600000000, 0.0000216700000000, -0.0001110300000000 ] - [ 0.0006640600000000, -0.0002740300000000, 0.0004176000000000 ] - [ -0.2427875100000000, -0.1218452400000000, -0.0139740500000000 ] - [ -0.0008624500000000, 0.0000992300000000, -0.0003673600000000 ] - [ 0.0013428400000000, 0.0006012800000000, 0.0015971900000000 ] - [ 0.0009928800000000, -0.0005158700000000, 0.0010072800000000 ] - [ 0.0007656900000000, 0.0001051100000000, -0.0021464100000000 ] - [ 0.0004374300000000, 0.0003769400000000, -0.0004982400000000 ] - [ -0.0010976900000000, -0.0005133800000000, -0.0029986600000000 ] - [ -0.0004908200000000, 0.0002997800000000, -0.0000829400000000 ] - [ 0.0128193300000000, -0.0029993800000000, 0.0005285700000000 ] - [ 0.0001446800000000, 0.0003724700000000, 0.0002744900000000 ] - [ 0.0003201800000000, 0.0014728300000000, -0.0001601000000000 ] - [ -0.0002975700000000, -0.0029355900000000, 0.0011696900000000 ] - [ -0.0015353900000000, 0.0003073900000000, -0.0012132800000000 ] - [ -0.0013862800000000, -0.0001620900000000, 0.0000803600000000 ] - [ -0.0009991400000000, -0.0000357300000000, 0.0003165200000000 ] - [ 0.0208353600000000, 0.0229343900000000, -0.0307808500000000 ] - [ -0.0000434300000000, -0.0005318800000000, -0.0005114800000000 ] - [ 0.0000492100000000, 0.0027124800000000, -0.0035159400000000 ] - [ 0.0000108300000000, -0.0000844800000000, 0.0000071900000000 ] - [ 0.0002601400000000, 0.0000774800000000, 0.0000725700000000 ] - [ 0.0007390300000000, 0.0001163800000000, 0.0003578200000000 ] - [ 0.0003026400000000, 0.0003045600000000, 0.0002484400000000 ] - [ -0.0000504900000000, 0.0001759700000000, -0.0001755500000000 ] - [ 0.0021817600000000, -0.0013797300000000, -0.0027421700000000 ] - [ 0.0001893300000000, -0.0006855900000000, -0.0003237900000000 ] - [ -0.0000484400000000, 0.0002044000000000, -0.0000784000000000 ] - [ 0.0007512800000000, -0.0001625800000000, 0.0000342200000000 ] - [ 0.0002840700000000, 0.0001403700000000, -0.0000063200000000 ] - [ 0.0014246800000000, -0.0007754500000000, 0.0010075200000000 ] - [ 0.0003188100000000, 0.0004970300000000, 0.0003588600000000 ] - [ 0.0003211800000000, 0.0004121000000000, -0.0002425600000000 ] - [ 0.0008552200000000, 0.0004717400000000, -0.0011712700000000 ] - [ 0.0003385900000000, -0.0001286600000000, 0.0000100600000000 ] - [ 0.0006154500000000, -0.0000817000000000, -0.0000229200000000 ] - [ 0.0000596400000000, -0.0000792600000000, 0.0011144700000000 ] - [ -0.0001879300000000, 0.0003293500000000, 0.0004197500000000 ] - [ 0.0007877900000000, -0.0000663500000000, -0.0002573700000000 ] - [ 0.0004049900000000, 0.0000569000000000, -0.0000861000000000 ] - [ 0.0004058100000000, -0.0008089000000000, -0.0015656100000000 ] - [ 0.0004569700000000, 0.0001614000000000, -0.0009209800000000 ] - [ 0.0002437100000000, -0.0001716100000000, -0.0002424600000000 ] - [ 0.0002397700000000, -0.0001034700000000, -0.0002427100000000 ] - [ 0.0006518400000000, -0.0003985200000000, -0.0004283000000000 ] - [ 0.0001545000000000, 0.0000120600000000, -0.0002156800000000 ] - [ 0.0006634900000000, -0.0002922600000000, 0.0014188700000000 ] - [ 0.0005720900000000, 0.0001357800000000, 0.0009582900000000 ] - [ -0.0004013100000000, -0.0000358900000000, 0.0000550200000000 ] - [ -0.0002485200000000, 0.0004262500000000, 0.0003832300000000 ] - [ 0.0008308000000000, -0.0008252700000000, 0.0000379000000000 ] - [ 0.0008355900000000, 0.0001450000000000, 0.0002947100000000 ] - [ 0.0009483300000000, -0.0002258600000000, -0.0001903800000000 ] - [ -0.0000129800000000, 0.0002530100000000, -0.0000977000000000 ] - [ -0.0001743000000000, -0.0001531600000000, -0.0001033500000000 ] - [ -0.0000214200000000, -0.0000133100000000, 0.0001632300000000 ] - [ 0.0007933300000000, 0.0001322600000000, 0.0001658500000000 ] - [ 0.0003086100000000, 0.0000420000000000, 0.0000800500000000 ] - [ 0.0002827900000000, -0.0004082900000000, 0.0005452800000000 ] - [ 0.0003063700000000, 0.0001486400000000, 0.0000425700000000 ]- atom: 79 displacement: [ -0.0099999989202427, 0.0000000000000000, -0.0000046470576681 ] forces: - [ -0.0014580500000000, -0.0004288900000000, -0.0003299300000000 ] - [ -0.0002365200000000, 0.0002484800000000, -0.0001174200000000 ] - [ -0.0018081500000000, -0.0006729800000000, 0.0000906800000000 ] - [ 0.0000064400000000, 0.0012307100000000, -0.0000940400000000 ] - [ -0.0000968000000000, -0.0001663400000000, 0.0013224800000000 ] - [ 0.0000943500000000, 0.0001218700000000, 0.0002386200000000 ] - [ 0.0012498400000000, 0.0007605100000000, -0.0007412300000000 ] - [ 0.0001706300000000, -0.0003171400000000, -0.0001768100000000 ] - [ -0.0002331400000000, -0.0000473400000000, 0.0003098100000000 ] - [ -0.0003122000000000, 0.0000080000000000, 0.0001677100000000 ] - [ 0.0004784900000000, 0.0001065600000000, 0.0000070600000000 ] - [ 0.0011739700000000, -0.0003153200000000, 0.0002721600000000 ] - [ 0.0003281100000000, -0.0000749100000000, -0.0004324500000000 ] - [ 0.0003613700000000, 0.0001282700000000, -0.0003466400000000 ] - [ -0.0002467000000000, -0.0002169400000000, 0.0001977200000000 ] - [ 0.0025960400000000, 0.0012535100000000, 0.0013376400000000 ] - [ 0.0000955500000000, 0.0004636100000000, 0.0004737900000000 ] - [ 0.0006534600000000, -0.0000753700000000, 0.0021914000000000 ] - [ -0.0007179200000000, -0.0002747100000000, 0.0000888600000000 ] - [ -0.0018085900000000, -0.0009253800000000, -0.0113788700000000 ] - [ -0.0045421000000000, 0.0055228100000000, -0.0006317900000000 ] - [ -0.0084552200000000, -0.0026083100000000, 0.0028414200000000 ] - [ -0.1616768500000000, -0.0781001700000000, -0.0250199900000000 ] - [ -0.0010639000000000, 0.0011416500000000, -0.0006962600000000 ] - [ 0.0010722300000000, 0.0053720700000000, 0.0008213400000000 ] - [ 0.0002584600000000, -0.0034629000000000, 0.0004145200000000 ] - [ 0.0008271400000000, 0.0003641100000000, -0.0011319600000000 ] - [ 0.0018337400000000, 0.0000764800000000, -0.0042016000000000 ] - [ 0.0002609000000000, -0.0008480900000000, -0.0016047900000000 ] - [ 0.0016915900000000, 0.0010229700000000, -0.0018834900000000 ] - [ 0.0006368500000000, -0.0001859800000000, 0.0007345900000000 ] - [ 0.0002863500000000, 0.0002447000000000, 0.0004014100000000 ] - [ 0.0010973300000000, -0.0000629700000000, 0.0002223000000000 ] - [ 0.0005651700000000, 0.0001075900000000, 0.0002676000000000 ] - [ 0.0007584800000000, -0.0001912800000000, 0.0000667600000000 ] - [ 0.0010327000000000, 0.0003362400000000, 0.0000915000000000 ] - [ 0.0011555000000000, -0.0001535600000000, -0.0007195100000000 ] - [ 0.0000541400000000, 0.0001182100000000, -0.0004185300000000 ] - [ 0.0009486400000000, -0.0010585500000000, 0.0025541200000000 ] - [ 0.0005841400000000, 0.0005745600000000, 0.0008988600000000 ] - [ -0.0015070200000000, 0.0004460600000000, -0.0001071700000000 ] - [ -0.0422199700000000, -0.0016992900000000, 0.0000423300000000 ] - [ 0.0008775700000000, 0.0000854100000000, 0.0012522700000000 ] - [ 0.0004556400000000, -0.0000561600000000, 0.0009501900000000 ] - [ 0.0009084200000000, 0.0011919800000000, -0.0004054000000000 ] - [ 0.0033122600000000, -0.0090607100000000, -0.0043638000000000 ] - [ -0.0013860300000000, -0.0008619200000000, 0.0000782700000000 ] - [ -0.0003373200000000, 0.0009226500000000, 0.0005247600000000 ] - [ 0.0008003700000000, -0.0001025500000000, -0.0000523400000000 ] - [ 0.0002994700000000, 0.0000415400000000, -0.0000350600000000 ] - [ 0.0006814200000000, -0.0013765500000000, -0.0020019600000000 ] - [ -0.0001828300000000, 0.0004718600000000, -0.0004836100000000 ] - [ 0.0014634000000000, -0.0005175600000000, -0.0000963700000000 ] - [ 0.0004254700000000, 0.0005053400000000, 0.0001434300000000 ] - [ 0.0006944600000000, 0.0001686800000000, -0.0020154000000000 ] - [ 0.0003256300000000, 0.0005337200000000, -0.0000942200000000 ] - [ -0.0015326100000000, -0.0094052400000000, -0.0049871900000000 ] - [ 0.0006035800000000, 0.0008051900000000, 0.0006713600000000 ] - [ -0.0001076900000000, -0.0014050900000000, 0.0001086900000000 ] - [ -0.0014551800000000, 0.0071007200000000, 0.0044123600000000 ] - [ -0.0006407700000000, 0.0001515700000000, -0.0006140400000000 ] - [ -0.0004213900000000, 0.0002552100000000, -0.0002736300000000 ] - [ 0.0002259600000000, -0.0003016300000000, 0.0002926700000000 ] - [ -0.0001992800000000, -0.0009109800000000, -0.0010562100000000 ] - [ 0.0010813800000000, -0.0011549900000000, 0.0002087000000000 ] - [ 0.0037706100000000, 0.0141238400000000, -0.0128765300000000 ] - [ -0.0005286000000000, -0.0002138700000000, 0.0005770500000000 ] - [ -0.0024580800000000, 0.0013359500000000, 0.0031493600000000 ] - [ 0.0005956700000000, 0.0012515900000000, -0.0010257300000000 ] - [ 0.0000419900000000, -0.0001420100000000, -0.0003221800000000 ] - [ 0.0003676100000000, -0.0092573200000000, 0.0042209300000000 ] - [ 0.0016631100000000, -0.0004553900000000, -0.0003268800000000 ] - [ -0.0005691100000000, 0.0002065000000000, 0.0007915200000000 ] - [ -0.0008371000000000, 0.0006985900000000, 0.0015477100000000 ] - [ 0.0019002000000000, -0.0004558600000000, -0.0007158100000000 ] - [ 0.0094747000000000, -0.0143042700000000, -0.0028736400000000 ] - [ -0.0003331800000000, -0.0006774600000000, -0.0007656300000000 ] - [ -0.0004878100000000, -0.0003982800000000, -0.0012948700000000 ] - [ 0.2346536200000000, 0.1153356200000000, 0.0122742800000000 ] - [ 0.0004275000000000, -0.0005751400000000, -0.0000174200000000 ] - [ -0.0012501200000000, -0.0008170500000000, -0.0016536400000000 ] - [ -0.0009463200000000, 0.0003045500000000, -0.0010966900000000 ] - [ -0.0001271600000000, 0.0001808900000000, 0.0023438700000000 ] - [ 0.0002005700000000, -0.0000853400000000, 0.0007031300000000 ] - [ 0.0004667200000000, 0.0007949300000000, 0.0027591000000000 ] - [ -0.0001411700000000, -0.0000025900000000, -0.0001226700000000 ] - [ -0.0120005300000000, 0.0024164400000000, -0.0000969400000000 ] - [ 0.0002853300000000, -0.0008484400000000, 0.0001162600000000 ] - [ -0.0006941700000000, -0.0014149000000000, 0.0002140300000000 ] - [ -0.0001106800000000, 0.0029398200000000, -0.0010909000000000 ] - [ 0.0014321200000000, -0.0005165000000000, 0.0012702500000000 ] - [ 0.0012952600000000, -0.0000587700000000, 0.0000052200000000 ] - [ 0.0008190300000000, 0.0002216200000000, -0.0001968800000000 ] - [ -0.0211119300000000, -0.0230006900000000, 0.0311511600000000 ] - [ 0.0004112500000000, 0.0004827400000000, 0.0004432000000000 ] - [ 0.0003335800000000, -0.0027564500000000, 0.0034345600000000 ] - [ -0.0003440700000000, 0.0000034200000000, 0.0001984900000000 ] - [ -0.0005940500000000, -0.0001624100000000, 0.0001352500000000 ] - [ -0.0007691400000000, 0.0000880700000000, -0.0003287800000000 ] - [ -0.0003299600000000, -0.0000998800000000, -0.0002172100000000 ] - [ -0.0000748100000000, 0.0001649100000000, 0.0001735400000000 ] - [ -0.0022940000000000, 0.0017112500000000, 0.0027268600000000 ] - [ -0.0003690300000000, 0.0000188500000000, 0.0011942200000000 ] - [ -0.0001347800000000, -0.0008639200000000, 0.0009551500000000 ] - [ -0.0007196200000000, 0.0003688500000000, -0.0000634300000000 ] - [ -0.0002554300000000, 0.0000658600000000, -0.0000240600000000 ] - [ -0.0012507900000000, 0.0009547100000000, -0.0011302200000000 ] - [ -0.0001340600000000, -0.0003151300000000, -0.0004886700000000 ] - [ -0.0001986700000000, -0.0000701100000000, 0.0002430600000000 ] - [ -0.0007250100000000, -0.0001329000000000, 0.0011631200000000 ] - [ -0.0000055800000000, 0.0000507800000000, -0.0002175500000000 ] - [ -0.0002796000000000, -0.0000011300000000, -0.0001879300000000 ] - [ -0.0004301400000000, 0.0000302800000000, -0.0010421600000000 ] - [ -0.0001787200000000, -0.0003611700000000, -0.0003441700000000 ] - [ -0.0004030400000000, 0.0001057100000000, 0.0002019900000000 ] - [ -0.0000210200000000, -0.0000150000000000, 0.0000298900000000 ] - [ -0.0002193500000000, 0.0001427300000000, 0.0006843400000000 ] - [ -0.0002689700000000, -0.0008189200000000, 0.0000374300000000 ] - [ -0.0006755400000000, -0.0003185800000000, -0.0001422500000000 ] - [ -0.0006755700000000, -0.0003928400000000, -0.0001406000000000 ] - [ -0.0005673000000000, 0.0001752600000000, 0.0003549300000000 ] - [ -0.0000706700000000, -0.0002313900000000, 0.0001419200000000 ] - [ -0.0000293500000000, 0.0005833500000000, -0.0012065900000000 ] - [ 0.0000639800000000, 0.0001502300000000, -0.0007499900000000 ] - [ -0.0002374200000000, 0.0003232200000000, -0.0002668000000000 ] - [ -0.0003838100000000, -0.0001328900000000, -0.0005833400000000 ] - [ -0.0003961300000000, 0.0003333600000000, 0.0003456500000000 ] - [ -0.0003938800000000, -0.0006409300000000, 0.0000888200000000 ] - [ -0.0013244900000000, 0.0002631900000000, 0.0002428500000000 ] - [ -0.0003643800000000, -0.0002085300000000, 0.0001486200000000 ] - [ 0.0000917200000000, -0.0000692200000000, 0.0001692600000000 ] - [ -0.0000589200000000, -0.0002056200000000, -0.0000875000000000 ] - [ -0.0009638700000000, 0.0000472900000000, -0.0000401500000000 ] - [ -0.0004857900000000, 0.0001365300000000, 0.0000410700000000 ] - [ 0.0000872300000000, 0.0003594500000000, -0.0006144000000000 ] - [ 0.0000607200000000, -0.0001925400000000, -0.0001114800000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000708500000000, 0.0025134200000000, 0.0016964500000000 ] - [ -0.0000580200000000, -0.0012550400000000, -0.0000424600000000 ] - [ 0.0010380800000000, 0.0028458000000000, -0.0003034300000000 ] - [ -0.0009874200000000, -0.0021819300000000, 0.0007626400000000 ] - [ 0.0004479600000000, 0.0020573600000000, -0.0005477800000000 ] - [ 0.0001807500000000, -0.0011267300000000, -0.0000247700000000 ] - [ -0.0016948100000000, 0.0004426600000000, 0.0002904300000000 ] - [ 0.0002413800000000, -0.0005652600000000, 0.0000221900000000 ] - [ 0.0001070200000000, -0.0000400600000000, -0.0004614300000000 ] - [ -0.0000918200000000, -0.0000632600000000, 0.0007033100000000 ] - [ -0.0002147600000000, -0.0004187800000000, -0.0000314100000000 ] - [ 0.0001944200000000, 0.0004420100000000, -0.0000235100000000 ] - [ -0.0000761600000000, -0.0001141800000000, 0.0005315500000000 ] - [ 0.0000434200000000, -0.0000224400000000, -0.0003358800000000 ] - [ 0.0003005400000000, -0.0007584200000000, 0.0000597000000000 ] - [ -0.0018633500000000, 0.0010071700000000, -0.0008325100000000 ] - [ 0.0001441500000000, -0.0023562700000000, -0.0000493600000000 ] - [ -0.0002763400000000, 0.0027477100000000, -0.0004794300000000 ] - [ 0.0004071200000000, -0.0015874700000000, -0.0010440100000000 ] - [ -0.0017988300000000, 0.0034303000000000, 0.0093915500000000 ] - [ 0.0043665700000000, -0.0125924500000000, 0.0034850200000000 ] - [ 0.0116061700000000, -0.0042822600000000, -0.0118162100000000 ] - [ 0.0790412100000000, 0.0671446400000000, 0.0071201200000000 ] - [ 0.0012615400000000, -0.0072217600000000, 0.0002021700000000 ] - [ -0.0033723900000000, -0.0104314700000000, -0.0017408800000000 ] - [ 0.0094705000000000, -0.0062009900000000, 0.0000033000000000 ] - [ -0.0006177700000000, -0.0011876100000000, 0.0009949100000000 ] - [ 0.0008180300000000, 0.0015351200000000, 0.0000470000000000 ] - [ -0.0001954800000000, 0.0016014200000000, -0.0002234000000000 ] - [ -0.0012073600000000, -0.0021211000000000, 0.0014314700000000 ] - [ -0.0009634200000000, 0.0013330500000000, 0.0006602600000000 ] - [ 0.0000348100000000, -0.0011724900000000, -0.0004165800000000 ] - [ 0.0003166500000000, 0.0010238700000000, 0.0004834500000000 ] - [ 0.0000651100000000, -0.0009196200000000, 0.0001648400000000 ] - [ 0.0001185800000000, -0.0003985200000000, 0.0000239600000000 ] - [ -0.0005498800000000, 0.0006210600000000, 0.0000254700000000 ] - [ -0.0005326000000000, 0.0010391200000000, -0.0002885900000000 ] - [ -0.0004383800000000, -0.0008970400000000, -0.0000101000000000 ] - [ 0.0019987700000000, 0.0015892700000000, 0.0002300100000000 ] - [ -0.0007854200000000, -0.0015238000000000, -0.0007291500000000 ] - [ 0.0009372900000000, -0.0050319800000000, -0.0005537800000000 ] - [ -0.0016341900000000, 0.0864955100000000, -0.0302904800000000 ] - [ -0.0030226500000000, 0.0000905100000000, -0.0005592400000000 ] - [ 0.0020349100000000, 0.0003849500000000, 0.0003572800000000 ] - [ -0.0014415200000000, -0.0038693700000000, -0.0006597300000000 ] - [ 0.0027770500000000, 0.0063052400000000, 0.0034051600000000 ] - [ 0.0025490500000000, -0.0006531600000000, 0.0011434900000000 ] - [ -0.0015745900000000, 0.0002028700000000, -0.0016330800000000 ] - [ -0.0006642400000000, 0.0002999100000000, 0.0003930200000000 ] - [ -0.0000292200000000, -0.0003438100000000, -0.0000759400000000 ] - [ -0.0012075800000000, 0.0027979900000000, 0.0006500500000000 ] - [ -0.0005335000000000, -0.0013776600000000, 0.0005686700000000 ] - [ 0.0012722900000000, 0.0005890200000000, -0.0006760100000000 ] - [ -0.0006515200000000, -0.0006148200000000, 0.0002127900000000 ] - [ 0.0004005700000000, 0.0011363900000000, 0.0014404900000000 ] - [ 0.0004713000000000, -0.0011857400000000, -0.0003655500000000 ] - [ 0.0105987900000000, 0.0141113900000000, 0.0103054300000000 ] - [ -0.0013368900000000, 0.0038511300000000, 0.0004668100000000 ] - [ 0.0013918800000000, 0.0039967300000000, 0.0003465700000000 ] - [ -0.0069903500000000, -0.0006854200000000, 0.0017643500000000 ] - [ 0.0007517300000000, -0.0003215700000000, 0.0001185400000000 ] - [ -0.0007262500000000, 0.0007621500000000, 0.0001370200000000 ] - [ -0.0009248500000000, 0.0010398900000000, 0.0002300900000000 ] - [ 0.0007008800000000, -0.0015747600000000, 0.0014414100000000 ] - [ -0.0009244200000000, 0.0030603500000000, -0.0000170500000000 ] - [ -0.0148632400000000, 0.0154983100000000, -0.0251493400000000 ] - [ 0.0011459900000000, 0.0010089300000000, -0.0006340300000000 ] - [ -0.0007770800000000, -0.0013215500000000, -0.0008821700000000 ] - [ -0.0012588900000000, 0.0001399400000000, -0.0009840800000000 ] - [ 0.0008954400000000, 0.0008622500000000, 0.0007600600000000 ] - [ 0.0109140800000000, 0.0170673700000000, -0.0097611500000000 ] - [ -0.0022551700000000, 0.0038655600000000, 0.0002860400000000 ] - [ 0.0003675700000000, 0.0000931500000000, -0.0004297800000000 ] - [ -0.0001718000000000, -0.0001705500000000, -0.0003178200000000 ] - [ -0.0008876400000000, 0.0047188900000000, 0.0012159000000000 ] - [ 0.0034107600000000, 0.0517472200000000, 0.0070610500000000 ] - [ 0.0008915500000000, 0.0008073700000000, -0.0003268100000000 ] - [ -0.0004212000000000, -0.0013824500000000, -0.0003405200000000 ] - [ -0.1193574400000000, -0.2458283800000000, 0.0603221700000000 ] - [ 0.0001232900000000, 0.0038108800000000, -0.0008572000000000 ] - [ 0.0024614000000000, 0.0015599900000000, 0.0030025200000000 ] - [ -0.0032935500000000, 0.0008109400000000, -0.0022186500000000 ] - [ 0.0007454700000000, -0.0011278700000000, -0.0002062000000000 ] - [ 0.0003526600000000, 0.0009968000000000, -0.0005409800000000 ] - [ -0.0005515000000000, -0.0018012500000000, -0.0024017500000000 ] - [ -0.0003034300000000, 0.0010894500000000, 0.0003759200000000 ] - [ 0.0028705200000000, -0.0073201500000000, -0.0000351400000000 ] - [ -0.0003934700000000, 0.0029694300000000, 0.0009548100000000 ] - [ 0.0013801800000000, 0.0031726800000000, -0.0007144300000000 ] - [ -0.0025444800000000, -0.0012907900000000, 0.0009030400000000 ] - [ -0.0020354500000000, 0.0011610200000000, -0.0024540300000000 ] - [ 0.0002331600000000, 0.0002482800000000, 0.0028464000000000 ] - [ -0.0010502400000000, 0.0015201800000000, 0.0008366200000000 ] - [ 0.0207569200000000, 0.0057945200000000, -0.0217424100000000 ] - [ -0.0001724800000000, 0.0002199800000000, 0.0006665500000000 ] - [ 0.0009887900000000, 0.0018651700000000, -0.0029083900000000 ] - [ -0.0000616400000000, 0.0005023500000000, 0.0001171100000000 ] - [ -0.0001039300000000, -0.0005875300000000, 0.0000636800000000 ] - [ -0.0005549000000000, -0.0003611500000000, -0.0000438000000000 ] - [ 0.0004498400000000, 0.0005269900000000, 0.0001171900000000 ] - [ -0.0004469000000000, 0.0010088300000000, 0.0001837800000000 ] - [ 0.0022562000000000, -0.0018705500000000, -0.0021265900000000 ] - [ 0.0003652000000000, -0.0014674600000000, -0.0000100700000000 ] - [ -0.0003505600000000, 0.0009042800000000, 0.0001826300000000 ] - [ 0.0003280300000000, -0.0002592400000000, -0.0000335500000000 ] - [ -0.0000202200000000, 0.0004003200000000, -0.0000077100000000 ] - [ -0.0012723100000000, -0.0003377500000000, -0.0000531100000000 ] - [ 0.0009872100000000, 0.0007363700000000, 0.0000937700000000 ] - [ 0.0004817000000000, 0.0009616700000000, -0.0002051500000000 ] - [ -0.0000076200000000, -0.0004523100000000, -0.0003060800000000 ] - [ 0.0000842100000000, 0.0004942800000000, -0.0001452100000000 ] - [ 0.0003635100000000, -0.0005789000000000, -0.0001235600000000 ] - [ -0.0001589500000000, -0.0016064200000000, -0.0002146300000000 ] - [ -0.0002929300000000, 0.0014230200000000, 0.0005164300000000 ] - [ 0.0003255700000000, -0.0004503100000000, -0.0003098900000000 ] - [ 0.0002341000000000, 0.0004008700000000, 0.0000586300000000 ] - [ -0.0002513000000000, -0.0017201000000000, -0.0000477900000000 ] - [ 0.0007255100000000, 0.0009856200000000, -0.0009019100000000 ] - [ -0.0000728300000000, -0.0001999400000000, -0.0002288800000000 ] - [ -0.0001527600000000, -0.0002023300000000, -0.0002506900000000 ] - [ 0.0006776600000000, -0.0008574200000000, -0.0001625600000000 ] - [ 0.0000837300000000, 0.0004090800000000, -0.0001314100000000 ] - [ 0.0003942900000000, -0.0000145600000000, 0.0006686000000000 ] - [ 0.0000735200000000, 0.0003274500000000, -0.0002311800000000 ] - [ -0.0004925800000000, 0.0000154200000000, -0.0011191400000000 ] - [ -0.0000040300000000, 0.0004202700000000, 0.0008932500000000 ] - [ -0.0001759500000000, -0.0001589800000000, 0.0002484800000000 ] - [ 0.0008030500000000, -0.0001616800000000, 0.0002366100000000 ] - [ -0.0002584600000000, -0.0008024200000000, 0.0003125100000000 ] - [ 0.0000550200000000, 0.0006099500000000, -0.0002275400000000 ] - [ -0.0004102900000000, -0.0006420900000000, -0.0003388700000000 ] - [ 0.0000130300000000, 0.0003761200000000, 0.0000947800000000 ] - [ 0.0004936500000000, -0.0002028900000000, -0.0001591100000000 ] - [ -0.0002741200000000, 0.0003843900000000, 0.0002295500000000 ] - [ 0.0000318000000000, -0.0013718100000000, 0.0002123200000000 ] - [ 0.0003029800000000, 0.0012324600000000, -0.0002563300000000 ]- atom: 79 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001836300000000, -0.0025089900000000, -0.0016323400000000 ] - [ -0.0001993400000000, 0.0012512800000000, 0.0001275300000000 ] - [ -0.0008239300000000, -0.0027933100000000, 0.0002940400000000 ] - [ 0.0012811900000000, 0.0021599700000000, -0.0008378000000000 ] - [ -0.0001941400000000, -0.0020563900000000, 0.0004704100000000 ] - [ 0.0000750900000000, 0.0011209800000000, -0.0000584300000000 ] - [ 0.0014071000000000, -0.0004591300000000, -0.0002277800000000 ] - [ -0.0005308300000000, 0.0005347300000000, 0.0000458000000000 ] - [ -0.0003637700000000, 0.0000369500000000, 0.0005430900000000 ] - [ -0.0001655100000000, 0.0000589000000000, -0.0006197800000000 ] - [ 0.0005056300000000, 0.0003926700000000, -0.0000375000000000 ] - [ 0.0001046800000000, -0.0004710300000000, -0.0000431600000000 ] - [ 0.0003338700000000, 0.0001110600000000, -0.0006142700000000 ] - [ 0.0002146700000000, 0.0000181100000000, 0.0002508700000000 ] - [ -0.0005890600000000, 0.0007323200000000, 0.0000107900000000 ] - [ 0.0015778300000000, -0.0010393200000000, 0.0009052500000000 ] - [ -0.0001448700000000, 0.0024469700000000, 0.0000520500000000 ] - [ 0.0002733600000000, -0.0026539900000000, 0.0004825400000000 ] - [ -0.0009271400000000, 0.0017715700000000, 0.0011941100000000 ] - [ 0.0012541500000000, -0.0032459000000000, -0.0092374100000000 ] - [ -0.0039348200000000, 0.0125805700000000, -0.0031086800000000 ] - [ -0.0112332200000000, 0.0042243700000000, 0.0122236300000000 ] - [ -0.0764539200000000, -0.0663146800000000, -0.0066615400000000 ] - [ -0.0012781400000000, 0.0075023100000000, -0.0002157700000000 ] - [ 0.0029159700000000, 0.0104268400000000, 0.0013840300000000 ] - [ -0.0099125000000000, 0.0061804600000000, -0.0003542200000000 ] - [ 0.0011412200000000, 0.0013694900000000, -0.0011485000000000 ] - [ -0.0002845400000000, -0.0013515300000000, -0.0002333700000000 ] - [ 0.0001964400000000, -0.0015055800000000, 0.0002161500000000 ] - [ 0.0012133100000000, 0.0022092900000000, -0.0014400500000000 ] - [ 0.0004415300000000, -0.0011411100000000, -0.0004999000000000 ] - [ -0.0005564500000000, 0.0013516900000000, 0.0005726000000000 ] - [ 0.0001318600000000, -0.0010202400000000, -0.0001247600000000 ] - [ 0.0003895600000000, 0.0009396600000000, 0.0002005800000000 ] - [ -0.0001166300000000, 0.0006843300000000, -0.0000252900000000 ] - [ 0.0005537900000000, -0.0003381200000000, -0.0000242900000000 ] - [ 0.0000889900000000, -0.0010334000000000, -0.0000719300000000 ] - [ -0.0000074900000000, 0.0009123800000000, -0.0003548400000000 ] - [ -0.0014771800000000, -0.0013981500000000, -0.0003856400000000 ] - [ 0.0013141300000000, 0.0017037300000000, 0.0005827600000000 ] - [ -0.0012079600000000, 0.0049475300000000, 0.0006768500000000 ] - [ 0.0000086700000000, -0.0931629200000000, 0.0350225900000000 ] - [ 0.0022387000000000, 0.0000849000000000, 0.0007078000000000 ] - [ -0.0028072700000000, -0.0002180100000000, -0.0002026000000000 ] - [ 0.0017104600000000, 0.0037896500000000, 0.0005290900000000 ] - [ -0.0024799600000000, -0.0064637700000000, -0.0035754500000000 ] - [ -0.0017683700000000, 0.0008286500000000, -0.0012888900000000 ] - [ 0.0023497700000000, -0.0000383700000000, 0.0014882200000000 ] - [ 0.0003982500000000, -0.0003747800000000, -0.0002648000000000 ] - [ -0.0002390200000000, 0.0002663000000000, 0.0002033100000000 ] - [ 0.0004361100000000, -0.0026313100000000, -0.0005108300000000 ] - [ -0.0002410600000000, 0.0015463900000000, -0.0004221100000000 ] - [ -0.0010028900000000, -0.0006651000000000, 0.0005492000000000 ] - [ 0.0009243200000000, 0.0005396700000000, -0.0003433500000000 ] - [ 0.0003785600000000, -0.0009605600000000, -0.0015938200000000 ] - [ 0.0003069900000000, 0.0013561700000000, 0.0002130100000000 ] - [ -0.0107973600000000, -0.0140779600000000, -0.0099056200000000 ] - [ 0.0010103000000000, -0.0039086300000000, -0.0002447700000000 ] - [ -0.0014231000000000, -0.0037866100000000, -0.0003229400000000 ] - [ 0.0069782200000000, 0.0009557100000000, -0.0017381900000000 ] - [ -0.0008685100000000, 0.0006483800000000, -0.0001274100000000 ] - [ 0.0006019000000000, -0.0004277700000000, -0.0001433900000000 ] - [ 0.0007424600000000, -0.0016992900000000, 0.0006508100000000 ] - [ -0.0008826100000000, 0.0009241300000000, -0.0005608600000000 ] - [ 0.0009593500000000, -0.0028469200000000, -0.0000038800000000 ] - [ 0.0149578600000000, -0.0152497800000000, 0.0253390400000000 ] - [ -0.0009640100000000, -0.0008293700000000, 0.0005137500000000 ] - [ 0.0009366800000000, 0.0015105600000000, 0.0007919600000000 ] - [ 0.0013798800000000, 0.0001870900000000, 0.0009876700000000 ] - [ -0.0007793400000000, -0.0005270600000000, -0.0007612200000000 ] - [ -0.0103679800000000, -0.0170461600000000, 0.0093784400000000 ] - [ 0.0026116000000000, -0.0039539500000000, -0.0005040500000000 ] - [ -0.0007368200000000, -0.0001415900000000, 0.0005016900000000 ] - [ -0.0002016900000000, 0.0001290900000000, 0.0003986400000000 ] - [ 0.0012715000000000, -0.0046605300000000, -0.0012739900000000 ] - [ -0.0032300500000000, -0.0528371200000000, -0.0072222900000000 ] - [ -0.0007079800000000, -0.0014651300000000, -0.0005571900000000 ] - [ 0.0006034900000000, 0.0007277600000000, -0.0005438800000000 ] - [ 0.1178269500000000, 0.2521486600000000, -0.0661782800000000 ] - [ -0.0005546700000000, -0.0042986200000000, 0.0004709300000000 ] - [ -0.0023724100000000, -0.0017701400000000, -0.0030540900000000 ] - [ 0.0033708200000000, -0.0010309400000000, 0.0021428300000000 ] - [ -0.0001176000000000, 0.0014193100000000, 0.0004297800000000 ] - [ 0.0002787400000000, -0.0007040700000000, 0.0007536700000000 ] - [ -0.0000791400000000, 0.0020920900000000, 0.0021922400000000 ] - [ -0.0003279100000000, -0.0007957100000000, -0.0005845600000000 ] - [ -0.0025460100000000, 0.0068407300000000, 0.0004059600000000 ] - [ 0.0008300500000000, -0.0034564900000000, -0.0005642800000000 ] - [ -0.0017543900000000, -0.0031300200000000, 0.0007679500000000 ] - [ 0.0021631300000000, 0.0013542400000000, -0.0008522600000000 ] - [ 0.0019532300000000, -0.0013809500000000, 0.0025193700000000 ] - [ -0.0003025000000000, -0.0004596800000000, -0.0027815200000000 ] - [ 0.0008711900000000, -0.0013411300000000, -0.0007132400000000 ] - [ -0.0210776700000000, -0.0055595400000000, 0.0220674200000000 ] - [ 0.0005389200000000, -0.0002699400000000, -0.0007327000000000 ] - [ -0.0006148600000000, -0.0019179400000000, 0.0028453400000000 ] - [ -0.0002746200000000, -0.0005871900000000, 0.0000942900000000 ] - [ -0.0002315800000000, 0.0005093000000000, 0.0001524600000000 ] - [ 0.0005218500000000, 0.0005664600000000, 0.0000659200000000 ] - [ -0.0004838100000000, -0.0003223000000000, -0.0000935100000000 ] - [ 0.0003230700000000, -0.0006736400000000, -0.0001872400000000 ] - [ -0.0023918600000000, 0.0022113700000000, 0.0021379500000000 ] - [ -0.0005513800000000, 0.0008113100000000, 0.0008909100000000 ] - [ 0.0001650800000000, -0.0015594200000000, 0.0006981200000000 ] - [ -0.0002969100000000, 0.0004643400000000, 0.0000118300000000 ] - [ 0.0000504100000000, -0.0001942000000000, -0.0000162200000000 ] - [ 0.0014550000000000, 0.0005133900000000, -0.0000727300000000 ] - [ -0.0008127600000000, -0.0005588100000000, -0.0002239000000000 ] - [ -0.0003589200000000, -0.0006281300000000, 0.0002097500000000 ] - [ 0.0001269200000000, 0.0007836200000000, 0.0003155800000000 ] - [ 0.0002484000000000, -0.0005804200000000, -0.0000633900000000 ] - [ -0.0000307100000000, 0.0005010500000000, -0.0000936300000000 ] - [ -0.0002091800000000, 0.0015573300000000, 0.0002837600000000 ] - [ -0.0000777500000000, -0.0014648600000000, -0.0004443400000000 ] - [ 0.0000513700000000, 0.0004901100000000, 0.0002541800000000 ] - [ 0.0001454100000000, -0.0003584300000000, -0.0001136200000000 ] - [ 0.0004351700000000, 0.0010638400000000, -0.0008266900000000 ] - [ -0.0005403600000000, -0.0016403000000000, 0.0000245000000000 ] - [ -0.0003669400000000, -0.0002920800000000, -0.0001579800000000 ] - [ -0.0002931300000000, -0.0002921900000000, -0.0001372200000000 ] - [ -0.0006039400000000, 0.0006383400000000, 0.0000955500000000 ] - [ -0.0000063000000000, -0.0006295500000000, 0.0000608900000000 ] - [ 0.0002399300000000, 0.0003042400000000, -0.0004530800000000 ] - [ 0.0005607500000000, -0.0000364000000000, 0.0004412400000000 ] - [ -0.0001415200000000, 0.0002725800000000, 0.0009029900000000 ] - [ -0.0006282300000000, -0.0001257000000000, -0.0011069200000000 ] - [ 0.0006132400000000, -0.0003320200000000, 0.0001384700000000 ] - [ -0.0003617100000000, -0.0003332800000000, 0.0001505000000000 ] - [ -0.0001231900000000, 0.0008428100000000, -0.0002547200000000 ] - [ -0.0004357300000000, -0.0005702400000000, 0.0002838900000000 ] - [ 0.0003331300000000, 0.0004218500000000, 0.0004091100000000 ] - [ -0.0000936300000000, -0.0005960000000000, -0.0000260900000000 ] - [ -0.0006784800000000, 0.0003797300000000, 0.0002849400000000 ] - [ 0.0000919300000000, -0.0002048300000000, -0.0001067700000000 ] - [ 0.0003396500000000, 0.0013259900000000, -0.0002848500000000 ] - [ 0.0000691000000000, -0.0012765700000000, 0.0001820200000000 ]- atom: 79 displacement: [ -0.0066066504307377, 0.0000000000000000, 0.0075068082489187 ] forces: - [ -0.0003065100000000, -0.0002947900000000, -0.0031977800000000 ] - [ -0.0001716200000000, 0.0002844600000000, -0.0001492700000000 ] - [ -0.0018738900000000, -0.0002384000000000, 0.0019906200000000 ] - [ 0.0001697600000000, 0.0014257200000000, 0.0003141300000000 ] - [ -0.0008581300000000, -0.0005555700000000, 0.0002083500000000 ] - [ -0.0000546400000000, 0.0002979300000000, 0.0000301500000000 ] - [ 0.0012911700000000, 0.0004418100000000, -0.0004001400000000 ] - [ 0.0001378000000000, -0.0001799300000000, -0.0000688200000000 ] - [ -0.0002647300000000, -0.0000994100000000, 0.0000831000000000 ] - [ -0.0003290100000000, 0.0001074200000000, -0.0003519600000000 ] - [ 0.0003665700000000, 0.0001292600000000, -0.0000684600000000 ] - [ 0.0007687300000000, -0.0003041100000000, 0.0000744000000000 ] - [ 0.0005106300000000, 0.0000506400000000, -0.0006036800000000 ] - [ 0.0006167900000000, 0.0000375900000000, -0.0005052400000000 ] - [ -0.0003431300000000, -0.0000211800000000, 0.0002735900000000 ] - [ 0.0011056500000000, 0.0003583500000000, 0.0017881200000000 ] - [ -0.0004172300000000, 0.0007413600000000, -0.0000369400000000 ] - [ -0.0008961100000000, -0.0002747200000000, 0.0002647300000000 ] - [ -0.0003241200000000, -0.0002125000000000, 0.0003213000000000 ] - [ 0.0007038400000000, -0.0010214500000000, -0.0137568700000000 ] - [ -0.0050639900000000, 0.0095080400000000, -0.0004288700000000 ] - [ -0.0060942600000000, -0.0069620700000000, 0.0025188000000000 ] - [ -0.0876373700000000, -0.0466023400000000, 0.0017615900000000 ] - [ -0.0008093700000000, 0.0016368200000000, 0.0017612600000000 ] - [ -0.0003540100000000, 0.0013768700000000, 0.0012678600000000 ] - [ -0.0068830700000000, 0.0025872800000000, 0.0025207500000000 ] - [ 0.0011883600000000, 0.0005175500000000, -0.0010542200000000 ] - [ 0.0028214900000000, -0.0002051400000000, -0.0036295300000000 ] - [ 0.0008361000000000, -0.0011087900000000, -0.0015947700000000 ] - [ 0.0022870800000000, 0.0015917500000000, -0.0022959400000000 ] - [ -0.0001289400000000, 0.0000003700000000, -0.0001694900000000 ] - [ -0.0004606100000000, 0.0001237100000000, -0.0000101200000000 ] - [ 0.0005768200000000, -0.0002443800000000, -0.0003575700000000 ] - [ 0.0003836500000000, 0.0002280000000000, -0.0000079900000000 ] - [ 0.0005133600000000, 0.0000251400000000, -0.0001170300000000 ] - [ 0.0008365100000000, 0.0001838100000000, -0.0001405300000000 ] - [ 0.0010199300000000, -0.0003317700000000, -0.0008737500000000 ] - [ 0.0001135600000000, 0.0002062500000000, -0.0004218900000000 ] - [ -0.0010923300000000, -0.0004212600000000, 0.0014854100000000 ] - [ -0.0001684700000000, 0.0005648600000000, 0.0006372200000000 ] - [ -0.0007922300000000, 0.0013324100000000, 0.0013336300000000 ] - [ -0.0272297000000000, -0.0261776500000000, 0.0465708000000000 ] - [ -0.0003842400000000, 0.0002782400000000, 0.0004794200000000 ] - [ -0.0018790100000000, -0.0002162200000000, 0.0001961500000000 ] - [ 0.0016339500000000, 0.0010768200000000, 0.0008698700000000 ] - [ 0.0047008700000000, -0.0060955400000000, 0.0006186800000000 ] - [ -0.0014248800000000, 0.0002449700000000, -0.0006867400000000 ] - [ -0.0003989500000000, -0.0003628400000000, -0.0001774000000000 ] - [ 0.0006152100000000, -0.0001870900000000, -0.0002910400000000 ] - [ 0.0001830300000000, 0.0000422100000000, -0.0001393000000000 ] - [ 0.0014724100000000, -0.0018102700000000, -0.0021617900000000 ] - [ 0.0000831900000000, 0.0006694700000000, -0.0005467900000000 ] - [ 0.0004555500000000, -0.0005191700000000, 0.0002684400000000 ] - [ 0.0002285800000000, 0.0004517500000000, 0.0001089900000000 ] - [ 0.0006476600000000, -0.0001485800000000, -0.0030328200000000 ] - [ 0.0002708500000000, 0.0007193800000000, -0.0001915500000000 ] - [ 0.0027339800000000, 0.0000405400000000, -0.0042483900000000 ] - [ 0.0005799500000000, -0.0021725500000000, -0.0010569500000000 ] - [ -0.0008349400000000, -0.0024332300000000, -0.0004730600000000 ] - [ -0.0056685900000000, 0.0089246400000000, 0.0028505400000000 ] - [ 0.0000368000000000, 0.0000359500000000, -0.0002851800000000 ] - [ 0.0003803100000000, -0.0000103200000000, -0.0001701700000000 ] - [ 0.0005898300000000, -0.0009589400000000, 0.0004863600000000 ] - [ 0.0006271700000000, 0.0000363200000000, 0.0003935500000000 ] - [ 0.0004208000000000, -0.0003975400000000, -0.0003766500000000 ] - [ 0.0156906400000000, -0.0128376200000000, 0.0067554800000000 ] - [ -0.0005918700000000, -0.0002143100000000, 0.0002526400000000 ] - [ -0.0023721800000000, 0.0006759800000000, 0.0015677200000000 ] - [ 0.0014105200000000, 0.0001829800000000, 0.0000373000000000 ] - [ 0.0005042600000000, 0.0003450400000000, -0.0002843300000000 ] - [ -0.0051334900000000, -0.0156106200000000, 0.0047052500000000 ] - [ 0.0011135800000000, 0.0004150300000000, -0.0010193900000000 ] - [ -0.0008450200000000, 0.0002021900000000, 0.0008363200000000 ] - [ -0.0011960900000000, 0.0006651700000000, 0.0015713500000000 ] - [ 0.0018489200000000, -0.0017972500000000, -0.0018914800000000 ] - [ 0.0076143400000000, -0.0040559600000000, -0.0088611900000000 ] - [ 0.0001246700000000, -0.0005541200000000, -0.0005360300000000 ] - [ 0.0005609300000000, 0.0001446700000000, -0.0006839200000000 ] - [ 0.1469300700000000, 0.1259815700000000, -0.0745679200000000 ] - [ 0.0000689800000000, -0.0009643300000000, -0.0006156400000000 ] - [ -0.0000334900000000, -0.0002314500000000, -0.0005114500000000 ] - [ 0.0023102000000000, -0.0006738100000000, 0.0008038100000000 ] - [ -0.0007463600000000, 0.0004441200000000, 0.0022968700000000 ] - [ 0.0000430900000000, -0.0001500900000000, 0.0007180500000000 ] - [ -0.0001102200000000, 0.0011090700000000, 0.0037763000000000 ] - [ -0.0002796500000000, -0.0001251500000000, -0.0001252300000000 ] - [ -0.0076730400000000, 0.0016974700000000, -0.0026761600000000 ] - [ 0.0003311400000000, -0.0012159300000000, -0.0005059500000000 ] - [ -0.0003470800000000, -0.0005919400000000, -0.0008966200000000 ] - [ 0.0010458100000000, 0.0024075800000000, -0.0027311000000000 ] - [ 0.0016489900000000, -0.0011523900000000, 0.0015948200000000 ] - [ 0.0012441600000000, 0.0006807900000000, 0.0000857300000000 ] - [ 0.0006803400000000, 0.0000501600000000, -0.0005917000000000 ] - [ -0.0309094700000000, -0.0285034200000000, 0.0305155900000000 ] - [ 0.0001822200000000, 0.0005206800000000, 0.0003811700000000 ] - [ -0.0003352600000000, -0.0031166800000000, 0.0039125500000000 ] - [ -0.0003179900000000, -0.0000954700000000, 0.0002372500000000 ] - [ -0.0005105700000000, 0.0000185600000000, 0.0002853300000000 ] - [ -0.0001956900000000, 0.0002364500000000, -0.0001042500000000 ] - [ -0.0001740500000000, -0.0000979100000000, -0.0000912800000000 ] - [ -0.0002330100000000, 0.0001150300000000, 0.0001445100000000 ] - [ -0.0030994100000000, 0.0021255300000000, 0.0030498100000000 ] - [ -0.0006024500000000, 0.0003521700000000, 0.0013879000000000 ] - [ -0.0001662800000000, -0.0010507700000000, 0.0010360600000000 ] - [ -0.0005402700000000, 0.0003445600000000, 0.0001386700000000 ] - [ -0.0001817900000000, 0.0000538200000000, 0.0000817600000000 ] - [ -0.0000391100000000, 0.0005775200000000, -0.0012094000000000 ] - [ 0.0000723600000000, -0.0002282100000000, -0.0004984500000000 ] - [ -0.0003053900000000, -0.0001909200000000, 0.0002969400000000 ] - [ -0.0009036400000000, -0.0001088900000000, 0.0013723700000000 ] - [ 0.0001055700000000, -0.0000971300000000, -0.0000795000000000 ] - [ -0.0000634700000000, 0.0000076400000000, 0.0000130200000000 ] - [ 0.0002056800000000, 0.0001357900000000, -0.0004405600000000 ] - [ 0.0000591500000000, -0.0004437800000000, -0.0002345500000000 ] - [ -0.0002566700000000, 0.0002340100000000, 0.0003904400000000 ] - [ 0.0000284900000000, -0.0000182000000000, 0.0001225300000000 ] - [ -0.0005165100000000, 0.0002213300000000, 0.0005975900000000 ] - [ -0.0005570200000000, -0.0011381700000000, 0.0000395800000000 ] - [ -0.0005650400000000, -0.0003354900000000, -0.0000612900000000 ] - [ -0.0005613500000000, -0.0003675100000000, -0.0000596100000000 ] - [ -0.0011718900000000, 0.0002908400000000, 0.0006663300000000 ] - [ -0.0002700100000000, -0.0002753100000000, 0.0001415400000000 ] - [ 0.0005899600000000, 0.0002000400000000, -0.0003914500000000 ] - [ 0.0007404400000000, 0.0000777000000000, 0.0000880800000000 ] - [ -0.0000741500000000, 0.0002038400000000, 0.0004501800000000 ] - [ -0.0001681700000000, 0.0002982300000000, 0.0001288900000000 ] - [ -0.0001045700000000, 0.0001055300000000, 0.0002306200000000 ] - [ -0.0002999400000000, -0.0005456500000000, 0.0000621300000000 ] - [ -0.0010867500000000, 0.0003381500000000, 0.0000743800000000 ] - [ -0.0003584500000000, -0.0002345200000000, 0.0001470200000000 ] - [ 0.0002893300000000, 0.0000571400000000, 0.0007180200000000 ] - [ -0.0000098300000000, -0.0002792000000000, 0.0000860300000000 ] - [ -0.0007521100000000, 0.0000693600000000, 0.0002173400000000 ] - [ -0.0002966300000000, 0.0001065100000000, 0.0001642500000000 ] - [ 0.0005036200000000, 0.0002027300000000, 0.0000110900000000 ] - [ 0.0002441400000000, -0.0003027000000000, 0.0000787300000000 ]- atom: 79 displacement: [ 0.0066066504307377, 0.0000000000000000, -0.0075068082489187 ] forces: - [ 0.0000675400000000, 0.0003012600000000, 0.0032858100000000 ] - [ -0.0000825300000000, -0.0002904100000000, 0.0002355500000000 ] - [ 0.0020627400000000, 0.0003333900000000, -0.0019935300000000 ] - [ 0.0001162500000000, -0.0014575300000000, -0.0003795500000000 ] - [ 0.0011185800000000, 0.0005557400000000, -0.0002909400000000 ] - [ 0.0003108300000000, -0.0003014200000000, -0.0001153900000000 ] - [ -0.0015919700000000, -0.0004709400000000, 0.0004679700000000 ] - [ -0.0004303900000000, 0.0001531900000000, 0.0001370700000000 ] - [ 0.0000070600000000, 0.0000969800000000, 0.0000055800000000 ] - [ 0.0000714400000000, -0.0001101500000000, 0.0004426600000000 ] - [ -0.0000735800000000, -0.0001574200000000, -0.0000021700000000 ] - [ -0.0004775800000000, 0.0002784500000000, -0.0001456400000000 ] - [ -0.0002551500000000, -0.0000549000000000, 0.0005209700000000 ] - [ -0.0003598800000000, -0.0000386700000000, 0.0004199900000000 ] - [ 0.0000505800000000, -0.0000080100000000, -0.0002032600000000 ] - [ -0.0014038000000000, -0.0003856200000000, -0.0017163100000000 ] - [ 0.0004222000000000, -0.0006536900000000, 0.0000390000000000 ] - [ 0.0008999400000000, 0.0003737500000000, -0.0002691100000000 ] - [ -0.0001999900000000, 0.0003925400000000, -0.0001689900000000 ] - [ -0.0012616800000000, 0.0012091300000000, 0.0139516500000000 ] - [ 0.0055653700000000, -0.0095800300000000, 0.0007915100000000 ] - [ 0.0066270500000000, 0.0069896700000000, -0.0022106500000000 ] - [ 0.0892932000000000, 0.0483055600000000, -0.0008111800000000 ] - [ 0.0008184300000000, -0.0013710200000000, -0.0017772100000000 ] - [ -0.0000730100000000, -0.0013261100000000, -0.0016524100000000 ] - [ 0.0065264900000000, -0.0026289700000000, -0.0029048300000000 ] - [ -0.0006745600000000, -0.0003378200000000, 0.0009055400000000 ] - [ -0.0023146600000000, 0.0003928900000000, 0.0034814800000000 ] - [ -0.0008441200000000, 0.0012018900000000, 0.0015984200000000 ] - [ -0.0022945100000000, -0.0015007100000000, 0.0023012900000000 ] - [ -0.0003843000000000, 0.0001857800000000, 0.0003242300000000 ] - [ -0.0000568700000000, 0.0000617900000000, 0.0001637800000000 ] - [ -0.0001316300000000, 0.0002516600000000, 0.0007271000000000 ] - [ 0.0000607000000000, -0.0002246600000000, 0.0003730600000000 ] - [ -0.0005140300000000, 0.0002587400000000, 0.0001176500000000 ] - [ -0.0008372200000000, 0.0001030500000000, 0.0001421600000000 ] - [ -0.0014645900000000, 0.0003380800000000, 0.0005150600000000 ] - [ -0.0005601700000000, -0.0002028300000000, 0.0000599800000000 ] - [ 0.0016173700000000, 0.0006072100000000, -0.0016408500000000 ] - [ 0.0006862400000000, -0.0003863700000000, -0.0007914100000000 ] - [ 0.0005123800000000, -0.0014197100000000, -0.0012138100000000 ] - [ 0.0268564800000000, 0.0238754100000000, -0.0456631100000000 ] - [ -0.0003781400000000, -0.0001110800000000, -0.0003290600000000 ] - [ 0.0011177100000000, 0.0003878300000000, -0.0000458800000000 ] - [ -0.0013734800000000, -0.0011573600000000, -0.0010178400000000 ] - [ -0.0044554100000000, 0.0060495100000000, -0.0007638200000000 ] - [ 0.0022203800000000, -0.0000730400000000, 0.0005414100000000 ] - [ 0.0011794900000000, 0.0005342700000000, 0.0000237000000000 ] - [ -0.0008858400000000, 0.0001110400000000, 0.0004210600000000 ] - [ -0.0004530800000000, -0.0001176300000000, 0.0002678100000000 ] - [ -0.0022513600000000, 0.0019850500000000, 0.0023180600000000 ] - [ -0.0008572500000000, -0.0004999900000000, 0.0006985500000000 ] - [ -0.0001877400000000, 0.0004438900000000, -0.0003945900000000 ] - [ 0.0000374600000000, -0.0005268300000000, -0.0002356700000000 ] - [ 0.0001234500000000, 0.0003196300000000, 0.0028927100000000 ] - [ 0.0005018100000000, -0.0005504200000000, 0.0000458500000000 ] - [ -0.0031350600000000, -0.0002178600000000, 0.0044553100000000 ] - [ -0.0009220800000000, 0.0021114100000000, 0.0012769500000000 ] - [ 0.0008103300000000, 0.0026676400000000, 0.0005057000000000 ] - [ 0.0057475700000000, -0.0088463300000000, -0.0028757800000000 ] - [ -0.0001685800000000, 0.0003014900000000, 0.0002820400000000 ] - [ -0.0005100900000000, 0.0003459800000000, 0.0001656000000000 ] - [ -0.0007765500000000, 0.0003056800000000, 0.0003987100000000 ] - [ -0.0008086400000000, -0.0006966600000000, 0.0004976200000000 ] - [ -0.0003859700000000, 0.0006020400000000, 0.0003590800000000 ] - [ -0.0156596300000000, 0.0131415100000000, -0.0069567100000000 ] - [ 0.0007760500000000, 0.0003952100000000, -0.0003658200000000 ] - [ 0.0025608500000000, -0.0004949900000000, -0.0016730200000000 ] - [ -0.0012937800000000, 0.0001478600000000, -0.0000310700000000 ] - [ -0.0003722800000000, -0.0000100600000000, 0.0002893200000000 ] - [ 0.0056313600000000, 0.0158775300000000, -0.0050670900000000 ] - [ -0.0007855200000000, -0.0005069200000000, 0.0008164000000000 ] - [ 0.0004813900000000, -0.0002456100000000, -0.0007669700000000 ] - [ 0.0008293800000000, -0.0007206700000000, -0.0015053600000000 ] - [ -0.0014786400000000, 0.0018473500000000, 0.0018473900000000 ] - [ -0.0071871000000000, 0.0043360400000000, 0.0088172100000000 ] - [ 0.0000524400000000, -0.0001049000000000, -0.0003511100000000 ] - [ -0.0003836400000000, -0.0008074200000000, -0.0002019100000000 ] - [ -0.1487990300000000, -0.1255975200000000, 0.0723549500000000 ] - [ -0.0005091000000000, 0.0004799900000000, 0.0002299600000000 ] - [ 0.0001011000000000, 0.0000030300000000, 0.0004402900000000 ] - [ -0.0022502800000000, 0.0004577900000000, -0.0008791100000000 ] - [ 0.0013811800000000, -0.0001502900000000, -0.0020937600000000 ] - [ 0.0005909000000000, 0.0004423600000000, -0.0005073400000000 ] - [ -0.0005169900000000, -0.0008223400000000, -0.0039992200000000 ] - [ -0.0003518900000000, 0.0004176300000000, -0.0000873900000000 ] - [ 0.0082469700000000, -0.0022134600000000, 0.0031419800000000 ] - [ 0.0001095300000000, 0.0007322200000000, 0.0009016400000000 ] - [ -0.0000291700000000, 0.0006276500000000, 0.0009643900000000 ] - [ -0.0014390400000000, -0.0023850100000000, 0.0028105600000000 ] - [ -0.0017484000000000, 0.0009429200000000, -0.0015414500000000 ] - [ -0.0013359200000000, -0.0009057900000000, -0.0000230800000000 ] - [ -0.0008599900000000, 0.0001343800000000, 0.0007097100000000 ] - [ 0.0301785300000000, 0.0280948700000000, -0.0300465800000000 ] - [ 0.0001902900000000, -0.0005641600000000, -0.0004536500000000 ] - [ 0.0007214800000000, 0.0030699000000000, -0.0039876300000000 ] - [ -0.0000170400000000, 0.0000172800000000, -0.0000244500000000 ] - [ 0.0001739700000000, -0.0001045600000000, -0.0000749900000000 ] - [ 0.0001620500000000, -0.0000309900000000, 0.0001239900000000 ] - [ 0.0001451700000000, 0.0003062400000000, 0.0001130900000000 ] - [ 0.0001091700000000, 0.0002218700000000, -0.0001495700000000 ] - [ 0.0029770300000000, -0.0017905300000000, -0.0030548300000000 ] - [ 0.0004223400000000, -0.0010120000000000, -0.0005064000000000 ] - [ -0.0000148200000000, 0.0003918700000000, -0.0001512200000000 ] - [ 0.0005721800000000, -0.0001372700000000, -0.0001607600000000 ] - [ 0.0002141100000000, 0.0001494100000000, -0.0001033100000000 ] - [ 0.0002240100000000, -0.0003999400000000, 0.0010906400000000 ] - [ 0.0001140600000000, 0.0004080800000000, 0.0003866200000000 ] - [ 0.0004304800000000, 0.0005279000000000, -0.0002924200000000 ] - [ 0.0010403300000000, 0.0004457300000000, -0.0013722800000000 ] - [ 0.0002306200000000, 0.0000142400000000, -0.0001350900000000 ] - [ 0.0003988800000000, -0.0000914200000000, -0.0002259000000000 ] - [ -0.0005785800000000, -0.0001821700000000, 0.0005135000000000 ] - [ -0.0004331600000000, 0.0003958700000000, 0.0003059400000000 ] - [ 0.0006358000000000, -0.0001956900000000, -0.0004490700000000 ] - [ 0.0003464300000000, 0.0000568200000000, -0.0001765600000000 ] - [ 0.0007016700000000, -0.0008787400000000, -0.0014823900000000 ] - [ 0.0007419100000000, 0.0004805800000000, -0.0009263700000000 ] - [ 0.0001227400000000, -0.0001547500000000, -0.0003283700000000 ] - [ 0.0001214700000000, -0.0001236500000000, -0.0003286400000000 ] - [ 0.0012526100000000, -0.0005122200000000, -0.0007352000000000 ] - [ 0.0003471200000000, 0.0000563000000000, -0.0002095200000000 ] - [ 0.0000387400000000, 0.0000930800000000, 0.0006023100000000 ] - [ -0.0001126400000000, 0.0002195500000000, 0.0001179700000000 ] - [ -0.0005640500000000, 0.0000863000000000, -0.0006667600000000 ] - [ -0.0004658700000000, -0.0000071200000000, -0.0003399400000000 ] - [ 0.0005473000000000, -0.0005971300000000, 0.0001565600000000 ] - [ 0.0007405500000000, 0.0000559200000000, 0.0003260200000000 ] - [ 0.0007117800000000, -0.0003004800000000, -0.0000209400000000 ] - [ -0.0000195000000000, 0.0002716900000000, -0.0000896800000000 ] - [ -0.0003657000000000, -0.0002775900000000, -0.0006568600000000 ] - [ -0.0000697200000000, 0.0000586300000000, -0.0000238900000000 ] - [ 0.0005714200000000, 0.0001101900000000, -0.0001002700000000 ] - [ 0.0001144100000000, 0.0000725700000000, -0.0000471400000000 ] - [ -0.0001371600000000, -0.0002494500000000, -0.0000828600000000 ] - [ 0.0001253100000000, 0.0002590400000000, -0.0001512100000000 ]- atom: 81 displacement: [ 0.0099999989202427, 0.0000000000000000, 0.0000046470576681 ] forces: - [ -0.0010966600000000, 0.0001461000000000, -0.0007741500000000 ] - [ -0.0010189800000000, -0.0002141700000000, -0.0007142400000000 ] - [ -0.0013744200000000, -0.0005188400000000, -0.0008959200000000 ] - [ -0.0003998200000000, 0.0004327400000000, -0.0003545500000000 ] - [ 0.0029087100000000, -0.0012723400000000, 0.0009481900000000 ] - [ 0.0031843100000000, 0.0014395100000000, 0.0008941200000000 ] - [ 0.0004638300000000, -0.0000240200000000, 0.0008266400000000 ] - [ 0.0001630300000000, 0.0000399200000000, 0.0003899800000000 ] - [ 0.0041167400000000, 0.0000150400000000, -0.0013020700000000 ] - [ 0.0002854100000000, 0.0000744900000000, 0.0003300600000000 ] - [ -0.0002675700000000, -0.0005035300000000, 0.0019902400000000 ] - [ 0.0003576500000000, 0.0003994700000000, 0.0007403100000000 ] - [ -0.0009194900000000, -0.0000982800000000, -0.0002301800000000 ] - [ -0.0003748900000000, 0.0000444500000000, -0.0002077200000000 ] - [ -0.0006437900000000, -0.0004129000000000, -0.0015333400000000 ] - [ -0.0004298800000000, 0.0002013900000000, -0.0006044900000000 ] - [ -0.0039957500000000, -0.0087810200000000, -0.0091422700000000 ] - [ 0.0007305800000000, 0.0042187300000000, -0.0013582600000000 ] - [ -0.0045345500000000, 0.0019929500000000, 0.0013597900000000 ] - [ -0.0010973100000000, -0.0003949900000000, -0.0000476700000000 ] - [ -0.0004631700000000, 0.0006564900000000, -0.0049740000000000 ] - [ -0.0005063700000000, 0.0001692600000000, -0.0014978000000000 ] - [ 0.0024278800000000, -0.0050004100000000, -0.0069230500000000 ] - [ 0.0023179200000000, 0.0034294500000000, -0.0018086900000000 ] - [ 0.0387991200000000, -0.0042879700000000, 0.0386398200000000 ] - [ 0.0012734900000000, 0.0002709800000000, 0.0008580100000000 ] - [ -0.0005115000000000, 0.0004873300000000, 0.0005921800000000 ] - [ 0.0000518100000000, 0.0001023900000000, 0.0000310400000000 ] - [ -0.0023855100000000, -0.0017116900000000, 0.0013256400000000 ] - [ -0.0005639200000000, 0.0005202800000000, 0.0001663400000000 ] - [ -0.0115709600000000, 0.0017334200000000, 0.0046191000000000 ] - [ 0.0004050700000000, -0.0030261900000000, 0.0016720400000000 ] - [ 0.0012417200000000, 0.0001132700000000, 0.0022212100000000 ] - [ 0.0011358000000000, 0.0003739800000000, 0.0019787000000000 ] - [ -0.0001490000000000, -0.0005501300000000, 0.0008535100000000 ] - [ -0.0001655000000000, 0.0003168700000000, 0.0003148300000000 ] - [ -0.0014137600000000, 0.0005769600000000, -0.0007813900000000 ] - [ -0.0014031800000000, -0.0000754200000000, -0.0006067100000000 ] - [ -0.0019614800000000, 0.0063006800000000, -0.0059573900000000 ] - [ 0.0002398600000000, -0.0020988600000000, -0.0015034200000000 ] - [ -0.0088552300000000, -0.0011100300000000, -0.0088490200000000 ] - [ -0.0006061600000000, -0.0017211800000000, 0.0006816000000000 ] - [ 0.1188416800000000, -0.0046174400000000, 0.0151261900000000 ] - [ 0.0016854700000000, 0.0003197900000000, 0.0001965300000000 ] - [ 0.0008911800000000, -0.0009003200000000, -0.0008731200000000 ] - [ 0.0003173300000000, -0.0012511100000000, -0.0007427800000000 ] - [ -0.0035893400000000, 0.0003445800000000, -0.0026492300000000 ] - [ -0.0010457700000000, 0.0004021700000000, -0.0006427800000000 ] - [ -0.0026718800000000, 0.0001122900000000, 0.0018791100000000 ] - [ -0.0007682900000000, 0.0001994500000000, 0.0008215600000000 ] - [ -0.0017692000000000, -0.0003282600000000, -0.0001015000000000 ] - [ -0.0017909200000000, 0.0008451400000000, 0.0000572800000000 ] - [ 0.0018867100000000, 0.0001341500000000, -0.0011042400000000 ] - [ 0.0007125300000000, 0.0001475400000000, -0.0003424200000000 ] - [ 0.0008311700000000, -0.0008315800000000, 0.0006512400000000 ] - [ 0.0005872700000000, 0.0009920900000000, 0.0017201900000000 ] - [ 0.0010902300000000, 0.0132670300000000, 0.0158966100000000 ] - [ -0.0007645500000000, -0.0011253400000000, -0.0001460800000000 ] - [ -0.0003025900000000, 0.0003125000000000, 0.0006276500000000 ] - [ 0.0001458400000000, 0.0003967300000000, 0.0004959600000000 ] - [ 0.0401761000000000, -0.0245212200000000, -0.0032691600000000 ] - [ -0.0011410800000000, 0.0009072700000000, -0.0001380300000000 ] - [ 0.0026815300000000, -0.0003121300000000, 0.0034242700000000 ] - [ 0.0005284100000000, -0.0013928100000000, 0.0010507700000000 ] - [ 0.0153561800000000, -0.0086670800000000, 0.0205166100000000 ] - [ -0.0002792000000000, 0.0007045300000000, -0.0002747300000000 ] - [ -0.0002394700000000, 0.0001780100000000, -0.0004282000000000 ] - [ -0.0003746500000000, 0.0002639400000000, 0.0000308500000000 ] - [ 0.0023597300000000, -0.0004526500000000, 0.0014966000000000 ] - [ 0.0005766900000000, 0.0005981100000000, 0.0004996600000000 ] - [ 0.0000946100000000, -0.0007844900000000, 0.0029033700000000 ] - [ 0.0001381400000000, -0.0008027900000000, 0.0007106200000000 ] - [ 0.0004791200000000, -0.0001340000000000, -0.0004682000000000 ] - [ 0.0000202100000000, -0.0001232800000000, -0.0000217000000000 ] - [ 0.0013331400000000, 0.0013436900000000, 0.0040385400000000 ] - [ 0.0003594100000000, 0.0007107600000000, 0.0006286700000000 ] - [ 0.0425098800000000, 0.0304963000000000, 0.0069333600000000 ] - [ -0.0010087600000000, -0.0015348100000000, -0.0006256100000000 ] - [ 0.0010867500000000, 0.0021830700000000, 0.0008636400000000 ] - [ 0.0007565900000000, -0.0035841300000000, 0.0037012000000000 ] - [ -0.2649814900000000, 0.0075827400000000, -0.1065371000000000 ] - [ -0.0015296100000000, -0.0001570200000000, -0.0008490500000000 ] - [ 0.0006579500000000, 0.0002356400000000, 0.0002568200000000 ] - [ 0.0007842700000000, -0.0001340700000000, 0.0001721800000000 ] - [ 0.0000664700000000, 0.0008362800000000, -0.0003803400000000 ] - [ 0.0006057600000000, -0.0009519600000000, -0.0014699800000000 ] - [ -0.0012766700000000, 0.0017573600000000, 0.0011526500000000 ] - [ -0.0011249100000000, -0.0005271800000000, 0.0007289300000000 ] - [ -0.0045107400000000, 0.0009677500000000, -0.0018874500000000 ] - [ -0.0006588300000000, 0.0002857100000000, -0.0001699000000000 ] - [ 0.0028656200000000, -0.0000861800000000, 0.0025465100000000 ] - [ 0.0011484700000000, -0.0001378100000000, 0.0009653400000000 ] - [ 0.0033491000000000, -0.0004219000000000, 0.0006938900000000 ] - [ 0.0004116400000000, 0.0003574400000000, 0.0000811500000000 ] - [ 0.0028913400000000, 0.0003957400000000, -0.0009052700000000 ] - [ 0.0003342700000000, -0.0000015700000000, -0.0001211000000000 ] - [ 0.0003006500000000, 0.0002502500000000, -0.0000264300000000 ] - [ 0.0000722400000000, -0.0002836600000000, 0.0000317000000000 ] - [ -0.0012747800000000, -0.0001191200000000, -0.0001865000000000 ] - [ -0.0005688600000000, -0.0000834600000000, -0.0001621500000000 ] - [ 0.0014932900000000, -0.0006530800000000, -0.0003665000000000 ] - [ 0.0005859000000000, 0.0001897400000000, 0.0000566800000000 ] - [ 0.0002152200000000, 0.0005465400000000, -0.0000099200000000 ] - [ 0.0001260300000000, -0.0009477300000000, -0.0000582000000000 ] - [ 0.0010813600000000, -0.0002056200000000, -0.0002721500000000 ] - [ 0.0005158900000000, 0.0000546800000000, -0.0002291300000000 ] - [ -0.0004430200000000, -0.0008242000000000, 0.0029493500000000 ] - [ -0.0001187000000000, 0.0003270300000000, 0.0010097100000000 ] - [ 0.0005912900000000, -0.0001689700000000, -0.0006890600000000 ] - [ 0.0001453200000000, 0.0005368000000000, -0.0003801800000000 ] - [ -0.0004225800000000, 0.0001297300000000, -0.0010094300000000 ] - [ -0.0000329300000000, -0.0000723400000000, -0.0004624100000000 ] - [ -0.0002611800000000, -0.0022977600000000, 0.0008287200000000 ] - [ -0.0009045700000000, 0.0033584900000000, 0.0024243100000000 ] - [ 0.0004524400000000, -0.0006058700000000, -0.0012653600000000 ] - [ 0.0003152200000000, -0.0002029800000000, -0.0008730000000000 ] - [ 0.0011491600000000, 0.0005984500000000, -0.0004272100000000 ] - [ 0.0006027100000000, -0.0005251300000000, -0.0004015400000000 ] - [ 0.0003925700000000, 0.0003935100000000, -0.0012689100000000 ] - [ -0.0001000600000000, -0.0001997000000000, -0.0005034000000000 ] - [ 0.0011988400000000, -0.0001744900000000, 0.0005144500000000 ] - [ 0.0012037100000000, -0.0002588000000000, 0.0004083900000000 ] - [ 0.0106904900000000, -0.0057834600000000, 0.0263939900000000 ] - [ -0.0002104600000000, 0.0003860100000000, 0.0000589600000000 ] - [ 0.0032947700000000, 0.0005678300000000, 0.0012856100000000 ] - [ 0.0000208400000000, 0.0006134600000000, 0.0001784600000000 ] - [ 0.0000884000000000, 0.0001234900000000, 0.0005135100000000 ] - [ 0.0002356000000000, -0.0002969200000000, 0.0002508600000000 ] - [ -0.0001232000000000, -0.0003227900000000, 0.0005233200000000 ] - [ 0.0000465800000000, -0.0000910300000000, 0.0002462900000000 ] - [ -0.0006862200000000, 0.0004804200000000, -0.0012722400000000 ] - [ -0.0006813400000000, -0.0008163500000000, -0.0013117200000000 ] - [ 0.0031621600000000, -0.0004992300000000, -0.0034444400000000 ] - [ 0.0002469000000000, 0.0004104600000000, -0.0010320500000000 ] - [ 0.0026413600000000, -0.0044402900000000, 0.0008621400000000 ] - [ 0.0028320000000000, 0.0051552400000000, -0.0009715500000000 ]- atom: 81 displacement: [ -0.0099999989202427, 0.0000000000000000, -0.0000046470576681 ] forces: - [ 0.0008344600000000, -0.0001487300000000, 0.0008531300000000 ] - [ 0.0007565600000000, 0.0002116500000000, 0.0007934000000000 ] - [ 0.0016556400000000, 0.0004910400000000, 0.0008261500000000 ] - [ 0.0006886700000000, -0.0004585000000000, 0.0002844200000000 ] - [ -0.0026439400000000, 0.0012584900000000, -0.0010200100000000 ] - [ -0.0029235600000000, -0.0014284600000000, -0.0009676000000000 ] - [ -0.0007434100000000, -0.0000124800000000, -0.0007595500000000 ] - [ -0.0004513400000000, -0.0000641100000000, -0.0003196000000000 ] - [ -0.0044351400000000, -0.0000234500000000, 0.0015400700000000 ] - [ -0.0005394900000000, -0.0000763200000000, -0.0002403300000000 ] - [ 0.0005692300000000, 0.0004757000000000, -0.0020445000000000 ] - [ -0.0000617100000000, -0.0004239800000000, -0.0008043000000000 ] - [ 0.0011714300000000, 0.0000951200000000, 0.0001402900000000 ] - [ 0.0006289100000000, -0.0000466200000000, 0.0001192300000000 ] - [ 0.0003474600000000, 0.0003821200000000, 0.0015937700000000 ] - [ 0.0001347500000000, -0.0002272500000000, 0.0006708200000000 ] - [ 0.0040014000000000, 0.0088554400000000, 0.0091011300000000 ] - [ -0.0007214600000000, -0.0040929100000000, 0.0013455500000000 ] - [ 0.0040034500000000, -0.0018150800000000, -0.0011860800000000 ] - [ 0.0005690300000000, 0.0005795200000000, 0.0002043000000000 ] - [ 0.0008746300000000, -0.0006518700000000, 0.0052926300000000 ] - [ 0.0009447500000000, -0.0001556000000000, 0.0018487500000000 ] - [ -0.0024014800000000, 0.0052042900000000, 0.0068501000000000 ] - [ -0.0023257600000000, -0.0031219600000000, 0.0018012200000000 ] - [ -0.0387806400000000, 0.0042524200000000, -0.0391698500000000 ] - [ -0.0017079600000000, -0.0002567800000000, -0.0012149100000000 ] - [ 0.0010430200000000, -0.0003053700000000, -0.0007743000000000 ] - [ 0.0004716900000000, 0.0000826200000000, -0.0001887700000000 ] - [ 0.0023917500000000, 0.0017983600000000, -0.0013323100000000 ] - [ 0.0005641900000000, -0.0004276900000000, -0.0001682800000000 ] - [ 0.0110074800000000, -0.0015666000000000, -0.0044478500000000 ] - [ -0.0009132500000000, 0.0031830700000000, -0.0015091500000000 ] - [ -0.0007891600000000, -0.0000905800000000, -0.0018468700000000 ] - [ -0.0006814300000000, -0.0003696200000000, -0.0016044000000000 ] - [ 0.0001490000000000, 0.0008291000000000, -0.0008525100000000 ] - [ 0.0001657100000000, -0.0000357400000000, -0.0003152000000000 ] - [ 0.0009586600000000, -0.0005558500000000, 0.0004085400000000 ] - [ 0.0009529000000000, 0.0000822000000000, 0.0002385800000000 ] - [ 0.0024715800000000, -0.0060916700000000, 0.0057856700000000 ] - [ 0.0002792800000000, 0.0022661400000000, 0.0013467100000000 ] - [ 0.0085299600000000, 0.0010439800000000, 0.0089188900000000 ] - [ 0.0003274400000000, 0.0016276800000000, -0.0005418500000000 ] - [ -0.1098946500000000, 0.0040446700000000, -0.0114387300000000 ] - [ -0.0024439200000000, -0.0001470800000000, -0.0000463000000000 ] - [ -0.0006267400000000, 0.0009309100000000, 0.0006841000000000 ] - [ -0.0000436400000000, 0.0011634900000000, 0.0006043400000000 ] - [ 0.0043318000000000, -0.0001708600000000, 0.0024856300000000 ] - [ 0.0018104100000000, -0.0002292500000000, 0.0004884700000000 ] - [ 0.0023879800000000, -0.0001877800000000, -0.0017433100000000 ] - [ 0.0004982400000000, -0.0002739900000000, -0.0006862600000000 ] - [ 0.0009908400000000, 0.0004990000000000, 0.0002450900000000 ] - [ 0.0010111600000000, -0.0006729200000000, 0.0000824200000000 ] - [ -0.0016077700000000, -0.0002074400000000, 0.0009635500000000 ] - [ -0.0004405800000000, -0.0002245200000000, 0.0002124300000000 ] - [ -0.0000504300000000, 0.0010047300000000, -0.0007970000000000 ] - [ 0.0001908100000000, -0.0008182800000000, -0.0018667500000000 ] - [ -0.0013511100000000, -0.0133160000000000, -0.0156485000000000 ] - [ 0.0004323800000000, 0.0010348800000000, 0.0003481100000000 ] - [ 0.0002869700000000, -0.0001194300000000, -0.0005735600000000 ] - [ -0.0001685400000000, -0.0001799200000000, -0.0004634000000000 ] - [ -0.0396632500000000, 0.0243748600000000, 0.0032294100000000 ] - [ 0.0010056400000000, -0.0005644600000000, 0.0001329900000000 ] - [ -0.0028460300000000, -0.0003511300000000, -0.0025181000000000 ] - [ -0.0007067700000000, 0.0007244400000000, -0.0001622200000000 ] - [ -0.0153120700000000, 0.0089918500000000, -0.0206185100000000 ] - [ 0.0003132800000000, -0.0004983600000000, 0.0002463500000000 ] - [ 0.0003950700000000, -0.0000162000000000, 0.0003379300000000 ] - [ 0.0005496900000000, -0.0000818400000000, -0.0001433300000000 ] - [ -0.0022083800000000, 0.0007879900000000, -0.0014883400000000 ] - [ -0.0004513300000000, -0.0002591600000000, -0.0004915100000000 ] - [ 0.0002448600000000, 0.0007070700000000, -0.0030902500000000 ] - [ 0.0002035100000000, 0.0006977100000000, -0.0009058400000000 ] - [ -0.0008478900000000, 0.0000969800000000, 0.0005491900000000 ] - [ -0.0003867200000000, 0.0000780300000000, 0.0000947100000000 ] - [ -0.0009403200000000, -0.0013060700000000, -0.0040797300000000 ] - [ 0.0000135200000000, -0.0006623400000000, -0.0006696800000000 ] - [ -0.0415681400000000, -0.0305824000000000, -0.0077480400000000 ] - [ 0.0011826800000000, 0.0008661200000000, -0.0002605400000000 ] - [ -0.0015118500000000, -0.0026521400000000, -0.0012421900000000 ] - [ -0.0011850000000000, 0.0030874600000000, -0.0040797400000000 ] - [ 0.2533099300000000, -0.0071543600000000, 0.1026064300000000 ] - [ 0.0015991100000000, -0.0000637600000000, 0.0007708500000000 ] - [ -0.0000224100000000, 0.0000548000000000, -0.0000442100000000 ] - [ -0.0001464600000000, 0.0004178200000000, 0.0000516400000000 ] - [ -0.0006989900000000, -0.0005465100000000, 0.0001637800000000 ] - [ -0.0012364600000000, 0.0012449900000000, 0.0012559400000000 ] - [ 0.0017035900000000, -0.0022306700000000, -0.0007613800000000 ] - [ 0.0015630300000000, 0.0000114200000000, -0.0003406800000000 ] - [ 0.0041002900000000, -0.0009937600000000, 0.0020734100000000 ] - [ 0.0002742700000000, -0.0002462500000000, 0.0002283100000000 ] - [ -0.0029204100000000, -0.0001328800000000, -0.0024568200000000 ] - [ -0.0012245900000000, -0.0000837100000000, -0.0009007700000000 ] - [ -0.0035011700000000, 0.0005982600000000, -0.0005841600000000 ] - [ -0.0005851700000000, -0.0001760300000000, 0.0000320900000000 ] - [ -0.0025321300000000, -0.0004418100000000, 0.0008321500000000 ] - [ 0.0000331800000000, -0.0000448000000000, 0.0000494800000000 ] - [ -0.0006376500000000, -0.0003405500000000, 0.0002331600000000 ] - [ -0.0004031400000000, 0.0002036400000000, 0.0001741600000000 ] - [ 0.0012477800000000, 0.0003316000000000, 0.0002144700000000 ] - [ 0.0005285100000000, 0.0002824400000000, 0.0001863600000000 ] - [ -0.0016165100000000, 0.0009898000000000, 0.0003632700000000 ] - [ -0.0007040800000000, 0.0001448900000000, -0.0000613700000000 ] - [ -0.0004038200000000, -0.0012024400000000, 0.0008913700000000 ] - [ -0.0003113500000000, 0.0002890200000000, 0.0009391400000000 ] - [ -0.0010405600000000, 0.0004041700000000, 0.0002472000000000 ] - [ -0.0004916200000000, 0.0001607500000000, 0.0001992700000000 ] - [ 0.0006239500000000, 0.0009916800000000, -0.0030304200000000 ] - [ 0.0003020100000000, -0.0001450600000000, -0.0011239100000000 ] - [ -0.0004785700000000, 0.0005042900000000, 0.0006971600000000 ] - [ -0.0000235400000000, -0.0002006800000000, 0.0003819700000000 ] - [ 0.0007518900000000, -0.0001992200000000, 0.0007992600000000 ] - [ 0.0003716000000000, -0.0000277400000000, 0.0002579600000000 ] - [ -0.0001076000000000, 0.0022326500000000, -0.0007530100000000 ] - [ 0.0005332600000000, -0.0033774600000000, -0.0023343600000000 ] - [ -0.0000833400000000, 0.0006438800000000, 0.0012160900000000 ] - [ 0.0000674700000000, 0.0002386200000000, 0.0008069700000000 ] - [ -0.0009609300000000, -0.0012555000000000, -0.0004527500000000 ] - [ -0.0004140600000000, -0.0001326800000000, -0.0004789700000000 ] - [ -0.0008264300000000, -0.0008782500000000, 0.0008806000000000 ] - [ -0.0003327500000000, -0.0002871500000000, 0.0001160100000000 ] - [ -0.0011157900000000, -0.0000466600000000, -0.0005861400000000 ] - [ -0.0011138000000000, 0.0000370100000000, -0.0004597700000000 ] - [ -0.0099748700000000, 0.0060362100000000, -0.0258736200000000 ] - [ 0.0008431200000000, -0.0000954200000000, 0.0001486000000000 ] - [ -0.0039099000000000, -0.0002733200000000, -0.0014878100000000 ] - [ -0.0006532300000000, -0.0003170100000000, -0.0003812600000000 ] - [ 0.0003467200000000, -0.0006092800000000, -0.0001251600000000 ] - [ 0.0001984500000000, -0.0001898600000000, 0.0001349900000000 ] - [ -0.0002595500000000, 0.0003544900000000, -0.0004565800000000 ] - [ -0.0004143700000000, 0.0001321400000000, -0.0001999000000000 ] - [ 0.0005990100000000, -0.0007018800000000, 0.0013205100000000 ] - [ 0.0006013000000000, 0.0005952100000000, 0.0013812500000000 ] - [ -0.0033201100000000, 0.0006777400000000, 0.0035335900000000 ] - [ -0.0004297400000000, -0.0002286100000000, 0.0011406000000000 ] - [ -0.0022415100000000, 0.0043492600000000, -0.0009231900000000 ] - [ -0.0024288800000000, -0.0051438400000000, 0.0008901600000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000698600000000, -0.0000717000000000, 0.0000294000000000 ] - [ -0.0002889200000000, -0.0000310000000000, 0.0000960100000000 ] - [ -0.0003066900000000, 0.0004346900000000, 0.0000181200000000 ] - [ 0.0002705900000000, -0.0004029600000000, -0.0000292600000000 ] - [ -0.0002685600000000, -0.0029146800000000, 0.0005957800000000 ] - [ 0.0005215000000000, -0.0019355500000000, -0.0004088000000000 ] - [ -0.0002028100000000, 0.0004238300000000, -0.0002610500000000 ] - [ -0.0001820700000000, -0.0003266700000000, 0.0001424700000000 ] - [ -0.0001963000000000, 0.0015749800000000, -0.0001864800000000 ] - [ -0.0000985700000000, -0.0006027900000000, 0.0000194900000000 ] - [ -0.0004033400000000, 0.0004463400000000, 0.0004227400000000 ] - [ 0.0002599300000000, -0.0004847000000000, -0.0002150000000000 ] - [ 0.0003116200000000, 0.0002235300000000, -0.0000050200000000 ] - [ 0.0001084800000000, -0.0002119100000000, -0.0000450800000000 ] - [ 0.0000528000000000, 0.0003506000000000, 0.0000674100000000 ] - [ -0.0002113900000000, -0.0003141200000000, 0.0001200900000000 ] - [ -0.0024610500000000, -0.0025086100000000, -0.0051332700000000 ] - [ 0.0000799800000000, -0.0024473900000000, 0.0009744300000000 ] - [ 0.0014570500000000, 0.0009380800000000, -0.0008202700000000 ] - [ -0.0007437700000000, -0.0007957400000000, 0.0001508000000000 ] - [ -0.0000457200000000, 0.0023793600000000, 0.0007201900000000 ] - [ 0.0003808200000000, -0.0012808900000000, 0.0000080200000000 ] - [ 0.0015919900000000, -0.0028875400000000, -0.0049677800000000 ] - [ 0.0000547800000000, -0.0017549600000000, 0.0013111700000000 ] - [ -0.0025287900000000, 0.0217125300000000, -0.0027103400000000 ] - [ -0.0002137300000000, -0.0024575500000000, -0.0001354100000000 ] - [ 0.0004305400000000, 0.0004935100000000, 0.0003499400000000 ] - [ 0.0000884000000000, -0.0003230800000000, -0.0003043700000000 ] - [ -0.0001252700000000, 0.0011270300000000, -0.0001646000000000 ] - [ 0.0001914800000000, -0.0009291100000000, 0.0000785700000000 ] - [ 0.0056536000000000, 0.0012176700000000, -0.0014363300000000 ] - [ -0.0004632200000000, -0.0018017300000000, 0.0004971700000000 ] - [ 0.0003835400000000, -0.0003489200000000, 0.0009858800000000 ] - [ -0.0000722500000000, 0.0001348900000000, -0.0009724200000000 ] - [ 0.0000799800000000, 0.0012229800000000, -0.0001201400000000 ] - [ -0.0000125300000000, -0.0007859100000000, 0.0000995200000000 ] - [ -0.0000174300000000, -0.0003010700000000, -0.0000943300000000 ] - [ -0.0001966600000000, 0.0001825600000000, -0.0001408100000000 ] - [ 0.0012403100000000, -0.0000864400000000, 0.0021534200000000 ] - [ -0.0000109300000000, -0.0016920200000000, -0.0005593000000000 ] - [ 0.0034950100000000, 0.0003193900000000, 0.0048114200000000 ] - [ -0.0005157800000000, -0.0013939800000000, 0.0004601100000000 ] - [ -0.0039687800000000, 0.0356738300000000, -0.0009149700000000 ] - [ -0.0004639300000000, -0.0018313900000000, 0.0002718100000000 ] - [ -0.0001204700000000, -0.0004284400000000, 0.0012706700000000 ] - [ 0.0003224800000000, -0.0014110300000000, -0.0005467000000000 ] - [ 0.0001161000000000, 0.0024079300000000, 0.0013143700000000 ] - [ 0.0004504100000000, -0.0010541400000000, -0.0003923800000000 ] - [ 0.0010994700000000, 0.0003633200000000, -0.0004988300000000 ] - [ -0.0004301400000000, -0.0005219100000000, 0.0002423200000000 ] - [ -0.0002604200000000, 0.0002516900000000, 0.0000381300000000 ] - [ -0.0002555600000000, -0.0001770800000000, 0.0001365400000000 ] - [ 0.0000375200000000, 0.0002825600000000, 0.0004926900000000 ] - [ 0.0002074600000000, -0.0003701700000000, -0.0004705200000000 ] - [ -0.0005999400000000, 0.0001452000000000, 0.0002112600000000 ] - [ 0.0012688400000000, -0.0001781500000000, -0.0007293800000000 ] - [ 0.0057490800000000, 0.0039807600000000, 0.0128409300000000 ] - [ -0.0001886600000000, 0.0014629500000000, -0.0002208600000000 ] - [ -0.0004655800000000, -0.0003398600000000, -0.0007080600000000 ] - [ 0.0001335400000000, 0.0007097400000000, 0.0003163700000000 ] - [ -0.0304376800000000, 0.0073233300000000, 0.0009655000000000 ] - [ 0.0000323400000000, 0.0014591400000000, 0.0001357500000000 ] - [ 0.0012760400000000, -0.0019031400000000, 0.0018378900000000 ] - [ -0.0004190300000000, 0.0007169000000000, 0.0003513800000000 ] - [ -0.0082528900000000, 0.0002062700000000, -0.0102271000000000 ] - [ -0.0000470200000000, 0.0011445100000000, 0.0000528700000000 ] - [ 0.0003710100000000, 0.0000937700000000, -0.0004875000000000 ] - [ -0.0000803300000000, 0.0003903900000000, 0.0001979800000000 ] - [ -0.0006027900000000, -0.0006653200000000, -0.0004349200000000 ] - [ 0.0003870800000000, 0.0009840300000000, 0.0000006400000000 ] - [ -0.0000250800000000, -0.0013229900000000, 0.0014448100000000 ] - [ 0.0000605600000000, 0.0008835500000000, -0.0005290200000000 ] - [ -0.0001874800000000, -0.0005674100000000, -0.0001220800000000 ] - [ -0.0002270200000000, 0.0004903900000000, 0.0001841800000000 ] - [ 0.0000616300000000, -0.0017871200000000, -0.0014985700000000 ] - [ 0.0001404800000000, 0.0009808600000000, 0.0002614700000000 ] - [ 0.0309754500000000, 0.0075145900000000, 0.0049990500000000 ] - [ 0.0002180400000000, 0.0012222000000000, -0.0006546400000000 ] - [ 0.0004897200000000, 0.0014136700000000, 0.0002760100000000 ] - [ -0.0006296900000000, 0.0006741600000000, -0.0013078300000000 ] - [ 0.0074984600000000, -0.0632955900000000, 0.0043027700000000 ] - [ -0.0000008700000000, 0.0012433200000000, -0.0000783600000000 ] - [ 0.0003053400000000, 0.0001577500000000, 0.0001570900000000 ] - [ 0.0002529900000000, 0.0002003400000000, -0.0000189300000000 ] - [ 0.0003519500000000, 0.0004849000000000, -0.0001729600000000 ] - [ -0.0012581700000000, 0.0002909200000000, 0.0003098700000000 ] - [ -0.0001933600000000, 0.0010209400000000, 0.0012207800000000 ] - [ 0.0002721500000000, 0.0001022000000000, -0.0008240700000000 ] - [ 0.0003208100000000, -0.0033148100000000, -0.0027536200000000 ] - [ -0.0001373800000000, 0.0008898500000000, -0.0001843100000000 ] - [ -0.0000674300000000, -0.0008397900000000, -0.0003992000000000 ] - [ -0.0000205200000000, 0.0003052700000000, 0.0000904400000000 ] - [ -0.0019784300000000, 0.0001050100000000, -0.0001077000000000 ] - [ 0.0001859300000000, 0.0004091900000000, -0.0001027800000000 ] - [ -0.0000355600000000, -0.0010771700000000, 0.0003629600000000 ] - [ 0.0002540600000000, 0.0006373800000000, -0.0002252200000000 ] - [ -0.0001795200000000, -0.0004253100000000, 0.0000520900000000 ] - [ -0.0001936600000000, 0.0003326800000000, 0.0001653600000000 ] - [ -0.0000785800000000, -0.0000247000000000, -0.0004283100000000 ] - [ 0.0001141400000000, 0.0003270200000000, 0.0003627300000000 ] - [ -0.0004278800000000, 0.0001171400000000, 0.0001250900000000 ] - [ 0.0000714900000000, 0.0002862100000000, -0.0000149600000000 ] - [ 0.0002913100000000, -0.0008545700000000, 0.0004369500000000 ] - [ -0.0004674200000000, 0.0002559000000000, 0.0005341600000000 ] - [ -0.0004060100000000, 0.0000836600000000, -0.0000024400000000 ] - [ 0.0001477600000000, 0.0002317800000000, -0.0000766900000000 ] - [ 0.0002124500000000, -0.0000079300000000, -0.0005902300000000 ] - [ -0.0000002700000000, 0.0004246800000000, 0.0002817000000000 ] - [ -0.0002032200000000, -0.0001263000000000, 0.0001809300000000 ] - [ 0.0003916500000000, 0.0004645900000000, -0.0001240000000000 ] - [ 0.0002331900000000, -0.0006791800000000, 0.0003266600000000 ] - [ 0.0000507600000000, 0.0005492800000000, -0.0003824400000000 ] - [ -0.0006160100000000, 0.0003903900000000, -0.0007155500000000 ] - [ 0.0002532000000000, 0.0012989500000000, 0.0012486700000000 ] - [ 0.0000168400000000, 0.0000909500000000, 0.0000561000000000 ] - [ 0.0002550800000000, 0.0001876600000000, 0.0002007600000000 ] - [ 0.0000226900000000, -0.0006935900000000, -0.0004716100000000 ] - [ 0.0000374100000000, -0.0000016100000000, -0.0004416100000000 ] - [ -0.0005067000000000, -0.0009946500000000, 0.0000920500000000 ] - [ -0.0000960300000000, 0.0002702800000000, -0.0003034700000000 ] - [ -0.0001058900000000, -0.0000912400000000, -0.0000820400000000 ] - [ -0.0000201400000000, -0.0000918900000000, -0.0001000100000000 ] - [ -0.0040372800000000, -0.0057223200000000, -0.0053272300000000 ] - [ 0.0003005700000000, 0.0009578700000000, -0.0001006200000000 ] - [ -0.0018706600000000, -0.0023011200000000, -0.0013333900000000 ] - [ -0.0001651100000000, 0.0009932600000000, 0.0002048000000000 ] - [ 0.0002605800000000, -0.0007794200000000, 0.0000041400000000 ] - [ 0.0001215400000000, 0.0002368300000000, 0.0003301100000000 ] - [ -0.0002047300000000, 0.0000699300000000, -0.0001203300000000 ] - [ -0.0002453000000000, 0.0000605000000000, 0.0000849600000000 ] - [ 0.0006617600000000, 0.0001814300000000, -0.0007093900000000 ] - [ -0.0006340700000000, 0.0001820200000000, 0.0010486300000000 ] - [ -0.0020069400000000, 0.0000139000000000, 0.0017772200000000 ] - [ 0.0001315500000000, 0.0004527800000000, -0.0002432900000000 ] - [ -0.0013080700000000, 0.0022913800000000, -0.0006226800000000 ] - [ 0.0015583200000000, 0.0024145100000000, -0.0004009500000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003241400000000, 0.0000670300000000, 0.0000552300000000 ] - [ 0.0000339800000000, 0.0000289200000000, -0.0000112000000000 ] - [ 0.0006010500000000, -0.0004602700000000, -0.0000835800000000 ] - [ 0.0000218500000000, 0.0003766200000000, -0.0000379300000000 ] - [ 0.0005164400000000, 0.0028459600000000, -0.0006854400000000 ] - [ -0.0002785500000000, 0.0020502000000000, 0.0003217000000000 ] - [ -0.0000877600000000, -0.0004535600000000, 0.0003269900000000 ] - [ -0.0001103800000000, 0.0003009200000000, -0.0000742900000000 ] - [ -0.0000554100000000, -0.0015766500000000, 0.0002477800000000 ] - [ -0.0001574300000000, 0.0005986800000000, 0.0000603200000000 ] - [ 0.0006981500000000, -0.0004708500000000, -0.0004963700000000 ] - [ 0.0000300500000000, 0.0004571500000000, 0.0001449700000000 ] - [ -0.0000523200000000, -0.0002270300000000, -0.0000783000000000 ] - [ 0.0001498700000000, 0.0002085600000000, -0.0000379200000000 ] - [ -0.0003416200000000, -0.0003735700000000, 0.0000072000000000 ] - [ -0.0000785900000000, 0.0002865000000000, -0.0000490500000000 ] - [ 0.0024965100000000, 0.0026409500000000, 0.0051756100000000 ] - [ -0.0000842100000000, 0.0025257100000000, -0.0009765600000000 ] - [ -0.0019668600000000, -0.0007506300000000, 0.0009751300000000 ] - [ 0.0002306100000000, 0.0009894500000000, 0.0000064400000000 ] - [ 0.0004857600000000, -0.0023791500000000, -0.0003536200000000 ] - [ 0.0000648100000000, 0.0012847200000000, 0.0003582100000000 ] - [ -0.0015919500000000, 0.0031714000000000, 0.0049813300000000 ] - [ -0.0000577000000000, 0.0020402500000000, -0.0012977800000000 ] - [ 0.0021600900000000, -0.0217962400000000, 0.0033776800000000 ] - [ -0.0002335900000000, 0.0024599500000000, -0.0002168600000000 ] - [ 0.0000963600000000, -0.0003092900000000, -0.0005139600000000 ] - [ 0.0004373500000000, 0.0005086600000000, 0.0001528900000000 ] - [ 0.0001310900000000, -0.0010320700000000, 0.0001595900000000 ] - [ -0.0001857500000000, 0.0010231200000000, -0.0000823100000000 ] - [ -0.0061042900000000, -0.0010333000000000, 0.0015742300000000 ] - [ -0.0000659000000000, 0.0019976500000000, -0.0003484000000000 ] - [ 0.0000528500000000, 0.0003523500000000, -0.0006357900000000 ] - [ 0.0005126500000000, -0.0001227700000000, 0.0013257100000000 ] - [ -0.0000808900000000, -0.0009365500000000, 0.0001218400000000 ] - [ 0.0000126200000000, 0.0010708000000000, -0.0001022700000000 ] - [ -0.0004260800000000, 0.0003057100000000, -0.0002629800000000 ] - [ -0.0002475200000000, -0.0001727000000000, -0.0002213400000000 ] - [ -0.0006914100000000, 0.0002246500000000, -0.0022773300000000 ] - [ 0.0005285900000000, 0.0018877500000000, 0.0004057700000000 ] - [ -0.0037623500000000, -0.0003942000000000, -0.0046715700000000 ] - [ 0.0002451900000000, 0.0013183300000000, -0.0003249100000000 ] - [ 0.0027832600000000, -0.0353837000000000, 0.0011587000000000 ] - [ -0.0003245600000000, 0.0020031800000000, -0.0001252200000000 ] - [ 0.0003890900000000, 0.0004001700000000, -0.0014075700000000 ] - [ -0.0000536200000000, 0.0013363700000000, 0.0004202800000000 ] - [ 0.0006716600000000, -0.0022348700000000, -0.0014649600000000 ] - [ 0.0003294800000000, 0.0012244900000000, 0.0002464300000000 ] - [ -0.0013659200000000, -0.0004419900000000, 0.0006236800000000 ] - [ 0.0001616500000000, 0.0004472300000000, -0.0001147300000000 ] - [ -0.0005101500000000, -0.0000822400000000, 0.0001081600000000 ] - [ -0.0005159900000000, 0.0003476700000000, 0.0000101900000000 ] - [ 0.0002246100000000, -0.0003595500000000, -0.0006168000000000 ] - [ 0.0000622100000000, 0.0002950400000000, 0.0003409600000000 ] - [ 0.0013792700000000, 0.0000276400000000, -0.0003659400000000 ] - [ -0.0004900200000000, 0.0003509500000000, 0.0005746500000000 ] - [ -0.0061620900000000, -0.0041135100000000, -0.0127461500000000 ] - [ -0.0001444500000000, -0.0015381300000000, 0.0004226400000000 ] - [ 0.0004391600000000, 0.0005352700000000, 0.0007429900000000 ] - [ -0.0001595200000000, -0.0004990200000000, -0.0002865700000000 ] - [ 0.0304609500000000, -0.0069340500000000, -0.0009760600000000 ] - [ -0.0001416600000000, -0.0011252700000000, -0.0001390100000000 ] - [ -0.0014666800000000, 0.0012399000000000, -0.0009557900000000 ] - [ 0.0002366100000000, -0.0013778000000000, 0.0005306200000000 ] - [ 0.0081936000000000, 0.0000635000000000, 0.0101040000000000 ] - [ 0.0000740900000000, -0.0009394600000000, -0.0000864000000000 ] - [ -0.0001991400000000, 0.0000795100000000, 0.0003822000000000 ] - [ 0.0002619100000000, -0.0002095400000000, -0.0003317600000000 ] - [ 0.0007179600000000, 0.0010056600000000, 0.0004346000000000 ] - [ -0.0002637400000000, -0.0006487600000000, 0.0000018500000000 ] - [ 0.0003586700000000, 0.0012523400000000, -0.0016633700000000 ] - [ 0.0002741200000000, -0.0009691900000000, 0.0003168800000000 ] - [ -0.0001845300000000, 0.0005167700000000, 0.0001946300000000 ] - [ -0.0001408800000000, -0.0005273600000000, -0.0001097700000000 ] - [ 0.0003193300000000, 0.0018259500000000, 0.0014284400000000 ] - [ 0.0002335500000000, -0.0009374800000000, -0.0003141100000000 ] - [ -0.0306430800000000, -0.0082719700000000, -0.0058991400000000 ] - [ -0.0000306700000000, -0.0018836200000000, -0.0002233000000000 ] - [ -0.0009313100000000, -0.0019131300000000, -0.0006640100000000 ] - [ 0.0001877500000000, -0.0011659900000000, 0.0009153300000000 ] - [ -0.0072273200000000, 0.0629680800000000, -0.0051599900000000 ] - [ 0.0000889200000000, -0.0014631000000000, 0.0000022400000000 ] - [ 0.0003329500000000, 0.0001280900000000, 0.0000543900000000 ] - [ 0.0003750500000000, 0.0000958100000000, 0.0002258700000000 ] - [ -0.0009859500000000, -0.0001873200000000, -0.0000281800000000 ] - [ 0.0006148300000000, -0.0000027200000000, -0.0005186000000000 ] - [ 0.0006332500000000, -0.0015183300000000, -0.0008415600000000 ] - [ 0.0001704900000000, -0.0006047100000000, 0.0011998700000000 ] - [ -0.0006871700000000, 0.0033184700000000, 0.0028320300000000 ] - [ -0.0002417100000000, -0.0008483100000000, 0.0002377100000000 ] - [ -0.0000184100000000, 0.0006203800000000, 0.0004743300000000 ] - [ -0.0000673900000000, -0.0005266500000000, -0.0000255800000000 ] - [ 0.0017949100000000, 0.0000758800000000, 0.0002333500000000 ] - [ -0.0003623800000000, -0.0002303000000000, 0.0002113400000000 ] - [ 0.0003937200000000, 0.0010343700000000, -0.0004315400000000 ] - [ 0.0001111000000000, -0.0006923400000000, 0.0001582800000000 ] - [ -0.0001568600000000, 0.0003408700000000, 0.0001564900000000 ] - [ -0.0001397300000000, -0.0004094800000000, 0.0000444800000000 ] - [ 0.0000615300000000, 0.0002411900000000, 0.0004566100000000 ] - [ -0.0001449400000000, -0.0001246700000000, -0.0003319500000000 ] - [ 0.0003068100000000, 0.0002210400000000, -0.0001289100000000 ] - [ -0.0002061000000000, 0.0000549000000000, 0.0000140000000000 ] - [ -0.0004776600000000, 0.0001948200000000, 0.0004416800000000 ] - [ 0.0002811100000000, -0.0009155700000000, 0.0003451500000000 ] - [ 0.0004350000000000, 0.0001216200000000, -0.0000250300000000 ] - [ -0.0001206200000000, -0.0000247600000000, 0.0000473000000000 ] - [ -0.0000333300000000, 0.0001914400000000, 0.0004588100000000 ] - [ 0.0001791200000000, -0.0002472700000000, -0.0004049400000000 ] - [ 0.0003297700000000, 0.0004630200000000, -0.0001756800000000 ] - [ -0.0002807800000000, -0.0001294000000000, 0.0001296100000000 ] - [ 0.0001015600000000, 0.0005992500000000, -0.0005356300000000 ] - [ 0.0002870400000000, -0.0006370000000000, 0.0001769700000000 ] - [ 0.0002449200000000, -0.0004193500000000, 0.0007896800000000 ] - [ -0.0006139600000000, -0.0013623500000000, -0.0011869500000000 ] - [ 0.0003575700000000, -0.0000449800000000, -0.0001003600000000 ] - [ 0.0001281700000000, -0.0001490000000000, -0.0002571700000000 ] - [ 0.0001596200000000, 0.0000308800000000, -0.0004062300000000 ] - [ 0.0001452600000000, -0.0006597500000000, -0.0004372200000000 ] - [ 0.0000676300000000, 0.0005012100000000, -0.0004748400000000 ] - [ -0.0003414500000000, -0.0007654000000000, -0.0000786000000000 ] - [ 0.0001825300000000, -0.0001283800000000, 0.0000015300000000 ] - [ 0.0000984900000000, -0.0001286900000000, 0.0000258500000000 ] - [ 0.0045862300000000, 0.0060651500000000, 0.0054004900000000 ] - [ 0.0003373700000000, -0.0006663400000000, 0.0003104900000000 ] - [ 0.0012413000000000, 0.0025978100000000, 0.0011280400000000 ] - [ -0.0004716300000000, -0.0007055600000000, -0.0004141900000000 ] - [ 0.0001787800000000, 0.0002846400000000, 0.0003788500000000 ] - [ 0.0003167700000000, -0.0007318900000000, 0.0000532000000000 ] - [ -0.0001769800000000, -0.0000276500000000, 0.0001759400000000 ] - [ -0.0001335300000000, -0.0000179900000000, -0.0000334600000000 ] - [ -0.0007474200000000, -0.0004016100000000, 0.0007824500000000 ] - [ 0.0005535500000000, -0.0004019000000000, -0.0009595200000000 ] - [ 0.0018244900000000, 0.0001665300000000, -0.0016504000000000 ] - [ -0.0003125200000000, -0.0002741000000000, 0.0003751700000000 ] - [ 0.0016743500000000, -0.0023287000000000, 0.0005489600000000 ] - [ -0.0011984500000000, -0.0024680300000000, 0.0003299200000000 ]- atom: 81 displacement: [ -0.0066066504307377, 0.0000000000000000, 0.0075068082489187 ] forces: - [ 0.0000757000000000, -0.0001049800000000, 0.0000692800000000 ] - [ 0.0000527700000000, 0.0001996900000000, 0.0000175300000000 ] - [ -0.0001215400000000, 0.0001440500000000, 0.0003266000000000 ] - [ 0.0001138300000000, -0.0001082900000000, 0.0001636400000000 ] - [ -0.0011176300000000, 0.0014630600000000, 0.0011724100000000 ] - [ -0.0012608600000000, -0.0015730300000000, 0.0011157200000000 ] - [ 0.0005415200000000, -0.0006274700000000, -0.0009187500000000 ] - [ 0.0000475800000000, 0.0001841600000000, -0.0002042100000000 ] - [ -0.0045588900000000, -0.0002622000000000, 0.0052114200000000 ] - [ -0.0002200600000000, -0.0000127400000000, 0.0000376300000000 ] - [ 0.0011784700000000, 0.0004158500000000, -0.0007263300000000 ] - [ 0.0002905500000000, -0.0002372300000000, -0.0003546300000000 ] - [ 0.0005832100000000, 0.0000092700000000, -0.0002649700000000 ] - [ 0.0003327500000000, 0.0000072600000000, -0.0001256700000000 ] - [ -0.0005441500000000, -0.0002507300000000, 0.0000729600000000 ] - [ -0.0003256100000000, 0.0000891100000000, 0.0001473100000000 ] - [ 0.0000206300000000, 0.0030844000000000, 0.0047231800000000 ] - [ -0.0014954100000000, -0.0013303000000000, 0.0017791100000000 ] - [ 0.0013147900000000, -0.0010906700000000, 0.0014096600000000 ] - [ 0.0000048000000000, 0.0005067200000000, 0.0007817600000000 ] - [ -0.0016024700000000, -0.0004452500000000, -0.0000627200000000 ] - [ 0.0001872000000000, 0.0000693800000000, 0.0003540600000000 ] - [ 0.0001068700000000, -0.0019648400000000, -0.0010672000000000 ] - [ -0.0015573800000000, 0.0006517300000000, 0.0007286900000000 ] - [ 0.0045642700000000, -0.0012983500000000, 0.1092086500000000 ] - [ -0.0004724300000000, -0.0000250600000000, 0.0002698800000000 ] - [ 0.0020906700000000, -0.0001584000000000, -0.0026772800000000 ] - [ 0.0009678000000000, 0.0001640500000000, -0.0007176000000000 ] - [ 0.0023189200000000, 0.0005174000000000, -0.0006237100000000 ] - [ 0.0005419600000000, -0.0002463000000000, -0.0000155200000000 ] - [ 0.0062962700000000, -0.0003887900000000, -0.0024016500000000 ] - [ -0.0006255900000000, 0.0014773300000000, -0.0005735400000000 ] - [ 0.0005342000000000, 0.0012332800000000, -0.0016934300000000 ] - [ 0.0002772700000000, -0.0013906900000000, -0.0014042500000000 ] - [ 0.0003766200000000, 0.0004149300000000, -0.0018305800000000 ] - [ 0.0001950500000000, 0.0003395000000000, -0.0005405900000000 ] - [ 0.0004697100000000, -0.0001138300000000, -0.0006050900000000 ] - [ 0.0001355800000000, -0.0002368100000000, -0.0005210500000000 ] - [ -0.0025518200000000, 0.0034550400000000, 0.0012975800000000 ] - [ -0.0001809600000000, 0.0006111100000000, 0.0004135500000000 ] - [ 0.0004757400000000, 0.0008539200000000, 0.0012648600000000 ] - [ -0.0004661100000000, -0.0004467200000000, 0.0007385500000000 ] - [ -0.0633144700000000, 0.0021668000000000, 0.0259056700000000 ] - [ -0.0010702900000000, 0.0000475500000000, 0.0002792600000000 ] - [ -0.0000647000000000, 0.0085489000000000, -0.0036881700000000 ] - [ 0.0005004300000000, -0.0005006800000000, -0.0003484000000000 ] - [ 0.0002698300000000, -0.0010738800000000, 0.0016185400000000 ] - [ 0.0005115200000000, 0.0000153800000000, 0.0001278700000000 ] - [ 0.0016825700000000, 0.0000431400000000, -0.0014543400000000 ] - [ 0.0003328800000000, -0.0002802300000000, -0.0005961100000000 ] - [ 0.0001042000000000, 0.0003675800000000, -0.0001294700000000 ] - [ 0.0001270300000000, -0.0001761400000000, -0.0004381600000000 ] - [ -0.0002527700000000, 0.0000268800000000, -0.0009577600000000 ] - [ -0.0004295100000000, -0.0001444500000000, -0.0001344700000000 ] - [ 0.0012915200000000, 0.0011172900000000, 0.0001178500000000 ] - [ 0.0014692300000000, -0.0005337200000000, -0.0004583400000000 ] - [ 0.0042271000000000, 0.0017802300000000, -0.0002914400000000 ] - [ 0.0000246600000000, -0.0001121800000000, -0.0004124800000000 ] - [ 0.0015302100000000, -0.0009697900000000, 0.0019465100000000 ] - [ -0.0000982600000000, 0.0002177300000000, 0.0001021700000000 ] - [ -0.0277077500000000, 0.0159949400000000, -0.0047701900000000 ] - [ 0.0004715100000000, -0.0001536200000000, -0.0001198900000000 ] - [ -0.0006197600000000, 0.0000931800000000, -0.0014081000000000 ] - [ 0.0000833300000000, -0.0002028400000000, 0.0001252100000000 ] - [ -0.0015189600000000, 0.0020498200000000, -0.0062170800000000 ] - [ 0.0000618500000000, 0.0001554700000000, -0.0003700100000000 ] - [ -0.0017042100000000, -0.0012935100000000, 0.0025262600000000 ] - [ -0.0002168700000000, 0.0001821300000000, 0.0003616700000000 ] - [ 0.0019985700000000, 0.0001167700000000, -0.0010958100000000 ] - [ 0.0002106600000000, 0.0001065800000000, -0.0001934700000000 ] - [ 0.0005993300000000, 0.0005398800000000, -0.0000206000000000 ] - [ 0.0003702000000000, -0.0003178000000000, -0.0000997100000000 ] - [ -0.0009795800000000, 0.0004350100000000, 0.0009250100000000 ] - [ -0.0004450400000000, 0.0000519400000000, 0.0002245400000000 ] - [ 0.0006394700000000, -0.0006121500000000, -0.0010560500000000 ] - [ 0.0002874500000000, 0.0000898100000000, -0.0002699000000000 ] - [ -0.0216801600000000, -0.0167997600000000, -0.0117258000000000 ] - [ 0.0006369700000000, 0.0000140100000000, -0.0006480900000000 ] - [ 0.0001437400000000, 0.0004336700000000, -0.0002928400000000 ] - [ -0.0000671500000000, 0.0003238400000000, -0.0012340300000000 ] - [ 0.0931762800000000, -0.0014094800000000, -0.1399975000000000 ] - [ 0.0004745300000000, -0.0001075500000000, -0.0001845000000000 ] - [ -0.0000082800000000, 0.0000908600000000, 0.0003357800000000 ] - [ -0.0001129200000000, 0.0001031600000000, 0.0008103100000000 ] - [ -0.0006857000000000, -0.0004147100000000, -0.0006257800000000 ] - [ -0.0010649500000000, 0.0006295800000000, -0.0002439400000000 ] - [ 0.0002651800000000, 0.0003045000000000, 0.0003143800000000 ] - [ 0.0011269700000000, -0.0021701200000000, -0.0000797100000000 ] - [ 0.0007387100000000, -0.0062646800000000, 0.0114453300000000 ] - [ -0.0001102400000000, 0.0001695100000000, -0.0000883600000000 ] - [ -0.0000803100000000, 0.0002047800000000, -0.0001283300000000 ] - [ -0.0001281300000000, -0.0001361000000000, -0.0000036900000000 ] - [ 0.0002955600000000, 0.0001196100000000, -0.0006437300000000 ] - [ 0.0001857400000000, 0.0000712100000000, -0.0003909500000000 ] - [ -0.0017350200000000, 0.0001425300000000, -0.0003491800000000 ] - [ 0.0000840300000000, -0.0000359600000000, -0.0001640100000000 ] - [ -0.0004029200000000, 0.0001333600000000, 0.0006763300000000 ] - [ -0.0003400100000000, -0.0000191800000000, 0.0003400800000000 ] - [ 0.0003823300000000, -0.0004441700000000, 0.0011083200000000 ] - [ 0.0004260000000000, 0.0004448900000000, 0.0003215700000000 ] - [ -0.0007667000000000, 0.0006139500000000, 0.0001465700000000 ] - [ -0.0003100500000000, 0.0000933700000000, -0.0000137800000000 ] - [ -0.0011551900000000, -0.0009171300000000, 0.0005381600000000 ] - [ -0.0006207100000000, 0.0002104000000000, 0.0006057300000000 ] - [ -0.0006491100000000, 0.0001932700000000, 0.0003767800000000 ] - [ -0.0002297100000000, 0.0001765300000000, 0.0002292100000000 ] - [ 0.0005377200000000, -0.0004337200000000, 0.0005062800000000 ] - [ 0.0004193200000000, 0.0000452900000000, -0.0004490700000000 ] - [ -0.0015044800000000, 0.0004466200000000, 0.0006496900000000 ] - [ -0.0005415600000000, -0.0003582700000000, 0.0002561000000000 ] - [ 0.0003421200000000, 0.0005485700000000, 0.0013180600000000 ] - [ 0.0002560900000000, -0.0005309900000000, 0.0003595300000000 ] - [ 0.0007749600000000, -0.0006950200000000, -0.0010978300000000 ] - [ 0.0005957700000000, -0.0011304200000000, -0.0011082800000000 ] - [ -0.0004080000000000, 0.0002844100000000, 0.0009870600000000 ] - [ -0.0002344900000000, 0.0003970600000000, 0.0007423500000000 ] - [ -0.0004845500000000, -0.0007548300000000, -0.0004186600000000 ] - [ -0.0001911200000000, -0.0003044400000000, -0.0003820600000000 ] - [ -0.0009098200000000, -0.0007637700000000, 0.0009651200000000 ] - [ -0.0004243100000000, -0.0003473600000000, 0.0000727700000000 ] - [ -0.0003986100000000, -0.0001194300000000, 0.0000456600000000 ] - [ -0.0003066900000000, -0.0000448200000000, 0.0001292900000000 ] - [ 0.0170979000000000, -0.0029348900000000, 0.0094284600000000 ] - [ 0.0006137800000000, 0.0000662700000000, -0.0000391400000000 ] - [ -0.0019805200000000, -0.0001658100000000, -0.0009629500000000 ] - [ -0.0003680600000000, -0.0000473400000000, -0.0001460000000000 ] - [ 0.0002055900000000, -0.0002083700000000, 0.0005839800000000 ] - [ 0.0003029100000000, -0.0002547900000000, 0.0003022000000000 ] - [ -0.0003238700000000, -0.0003063200000000, 0.0006133800000000 ] - [ -0.0001716900000000, 0.0001281900000000, 0.0001726500000000 ] - [ -0.0006325500000000, -0.0012559300000000, 0.0007638400000000 ] - [ -0.0005893400000000, 0.0009206500000000, 0.0008024200000000 ] - [ -0.0022171100000000, 0.0004514000000000, 0.0017169900000000 ] - [ -0.0004814800000000, -0.0000568700000000, 0.0005914400000000 ] - [ -0.0012067800000000, 0.0026757900000000, -0.0008161100000000 ] - [ -0.0009250600000000, -0.0023596000000000, 0.0002725800000000 ]- atom: 81 displacement: [ 0.0066066504307377, 0.0000000000000000, -0.0075068082489187 ] forces: - [ -0.0003281500000000, 0.0001029400000000, 0.0000202400000000 ] - [ -0.0003042000000000, -0.0002009100000000, 0.0000726800000000 ] - [ 0.0004169700000000, -0.0001714000000000, -0.0003927300000000 ] - [ 0.0001809800000000, 0.0000788600000000, -0.0002320600000000 ] - [ 0.0013639900000000, -0.0014776100000000, -0.0012585900000000 ] - [ 0.0015065800000000, 0.0015822700000000, -0.0012041500000000 ] - [ -0.0008377200000000, 0.0006032000000000, 0.0009875900000000 ] - [ -0.0003421800000000, -0.0002140700000000, 0.0002723600000000 ] - [ 0.0039662900000000, 0.0002493100000000, -0.0046833300000000 ] - [ -0.0000363400000000, 0.0000110800000000, 0.0000522300000000 ] - [ -0.0008842800000000, -0.0004452600000000, 0.0006477000000000 ] - [ 0.0000046900000000, 0.0002081700000000, 0.0002827200000000 ] - [ -0.0003246200000000, -0.0000103000000000, 0.0001759700000000 ] - [ -0.0000758800000000, -0.0000089800000000, 0.0000364200000000 ] - [ 0.0002496800000000, 0.0002233100000000, 0.0000009900000000 ] - [ 0.0000307800000000, -0.0001184700000000, -0.0000759200000000 ] - [ 0.0000188100000000, -0.0029388800000000, -0.0046657300000000 ] - [ 0.0014996800000000, 0.0014189100000000, -0.0017804200000000 ] - [ -0.0018314800000000, 0.0012692800000000, -0.0012498000000000 ] - [ -0.0005256600000000, -0.0003190900000000, -0.0006263200000000 ] - [ 0.0020641500000000, 0.0004635200000000, 0.0004374700000000 ] - [ 0.0002632000000000, -0.0000621000000000, 0.0000153400000000 ] - [ -0.0000952500000000, 0.0022415000000000, 0.0010558800000000 ] - [ 0.0015638100000000, -0.0003747400000000, -0.0007286200000000 ] - [ -0.0067575600000000, 0.0013904900000000, -0.1116815100000000 ] - [ 0.0000231300000000, 0.0000302500000000, -0.0006454400000000 ] - [ -0.0015641600000000, 0.0003413600000000, 0.0025307200000000 ] - [ -0.0004436200000000, 0.0000233300000000, 0.0005660000000000 ] - [ -0.0023084900000000, -0.0004197400000000, 0.0006265400000000 ] - [ -0.0005415000000000, 0.0003371900000000, 0.0000174000000000 ] - [ -0.0067810800000000, 0.0005528200000000, 0.0025520900000000 ] - [ 0.0001059200000000, -0.0012851900000000, 0.0007180300000000 ] - [ -0.0000919800000000, -0.0012199100000000, 0.0020514300000000 ] - [ 0.0001656400000000, 0.0013905200000000, 0.0017639300000000 ] - [ -0.0003803800000000, -0.0001285400000000, 0.0018224900000000 ] - [ -0.0001947900000000, -0.0000546000000000, 0.0005388500000000 ] - [ -0.0009151000000000, 0.0001200000000000, 0.0002416300000000 ] - [ -0.0005806600000000, 0.0002408300000000, 0.0001544700000000 ] - [ 0.0031026100000000, -0.0033092400000000, -0.0014208200000000 ] - [ 0.0007011200000000, -0.0004192300000000, -0.0005592100000000 ] - [ -0.0007526500000000, -0.0009260000000000, -0.0011461200000000 ] - [ 0.0001945800000000, 0.0003701000000000, -0.0006058700000000 ] - [ 0.0634993000000000, -0.0020684300000000, -0.0247980100000000 ] - [ 0.0002928200000000, 0.0001236600000000, -0.0001290200000000 ] - [ 0.0003447800000000, -0.0086772900000000, 0.0035774300000000 ] - [ -0.0002281400000000, 0.0004256200000000, 0.0002178300000000 ] - [ 0.0005142000000000, 0.0012440300000000, -0.0017595600000000 ] - [ 0.0002658400000000, 0.0001544300000000, -0.0002752600000000 ] - [ -0.0019438400000000, -0.0001171800000000, 0.0015758600000000 ] - [ -0.0005991600000000, 0.0002020000000000, 0.0007220900000000 ] - [ -0.0008736800000000, -0.0001942800000000, 0.0002792300000000 ] - [ -0.0008977100000000, 0.0003450200000000, 0.0005889100000000 ] - [ 0.0005141000000000, -0.0001031300000000, 0.0008298400000000 ] - [ 0.0006958000000000, 0.0000677400000000, 0.0000055900000000 ] - [ -0.0005184800000000, -0.0009382800000000, -0.0002642600000000 ] - [ -0.0006959300000000, 0.0006967500000000, 0.0003102200000000 ] - [ -0.0045919200000000, -0.0019034900000000, 0.0005280100000000 ] - [ -0.0003609900000000, 0.0000242500000000, 0.0006225800000000 ] - [ -0.0015815900000000, 0.0011775500000000, -0.0019427800000000 ] - [ 0.0000597300000000, -0.0000145900000000, -0.0000815200000000 ] - [ 0.0277651900000000, -0.0158533700000000, 0.0049339700000000 ] - [ -0.0005954200000000, 0.0004866500000000, 0.0001152500000000 ] - [ 0.0004351500000000, -0.0007517200000000, 0.0022944100000000 ] - [ -0.0002666800000000, -0.0004526000000000, 0.0007606400000000 ] - [ 0.0015239600000000, -0.0017734300000000, 0.0061830700000000 ] - [ -0.0000309600000000, 0.0000550800000000, 0.0003484800000000 ] - [ 0.0018925200000000, 0.0014825500000000, -0.0026434200000000 ] - [ 0.0003970800000000, -0.0000034700000000, -0.0004731800000000 ] - [ -0.0018695800000000, 0.0002209000000000, 0.0010973700000000 ] - [ -0.0000818200000000, 0.0002281400000000, 0.0001962800000000 ] - [ -0.0002693000000000, -0.0006248600000000, -0.0001917200000000 ] - [ -0.0000386300000000, 0.0002376500000000, -0.0001096000000000 ] - [ 0.0006088900000000, -0.0004837200000000, -0.0008553500000000 ] - [ 0.0000765800000000, -0.0000949500000000, -0.0001517700000000 ] - [ -0.0002638200000000, 0.0006467400000000, 0.0009958300000000 ] - [ 0.0000910500000000, -0.0000533800000000, 0.0002091500000000 ] - [ 0.0219345600000000, 0.0162380100000000, 0.0109943400000000 ] - [ -0.0004549100000000, -0.0006691700000000, -0.0002385700000000 ] - [ -0.0005860300000000, -0.0009224700000000, -0.0000972900000000 ] - [ -0.0003733800000000, -0.0008072000000000, 0.0008426600000000 ] - [ -0.0922860500000000, 0.0012074100000000, 0.1405490100000000 ] - [ -0.0003868000000000, -0.0001138100000000, 0.0001313700000000 ] - [ 0.0006408300000000, 0.0001982200000000, -0.0001232400000000 ] - [ 0.0007417700000000, 0.0001928700000000, -0.0006050900000000 ] - [ 0.0000553100000000, 0.0007058400000000, 0.0004147600000000 ] - [ 0.0004311900000000, -0.0003372500000000, 0.0000257000000000 ] - [ 0.0001775200000000, -0.0007970700000000, 0.0000748800000000 ] - [ -0.0006952700000000, 0.0016992100000000, 0.0004724800000000 ] - [ -0.0010982200000000, 0.0063712600000000, -0.0116199600000000 ] - [ -0.0002617900000000, -0.0001309100000000, 0.0001423700000000 ] - [ -0.0000070300000000, -0.0004263300000000, 0.0001859200000000 ] - [ 0.0000444600000000, -0.0000843900000000, 0.0000668800000000 ] - [ -0.0004731000000000, 0.0000597400000000, 0.0007548500000000 ] - [ -0.0003660600000000, 0.0001075700000000, 0.0004944500000000 ] - [ 0.0020954500000000, -0.0001835300000000, 0.0002728500000000 ] - [ 0.0002868600000000, -0.0000123700000000, 0.0000910600000000 ] - [ 0.0000683200000000, -0.0002150700000000, -0.0004645000000000 ] - [ 0.0000060900000000, -0.0000594800000000, -0.0001274900000000 ] - [ -0.0004028200000000, 0.0006537200000000, -0.0010863800000000 ] - [ -0.0004524100000000, -0.0002334000000000, -0.0003007100000000 ] - [ 0.0006423400000000, -0.0002780700000000, -0.0001553800000000 ] - [ 0.0001791300000000, 0.0002426200000000, 0.0000090700000000 ] - [ 0.0009694300000000, 0.0002537100000000, 0.0003452500000000 ] - [ 0.0004388500000000, -0.0008645500000000, 0.0002798800000000 ] - [ 0.0006846500000000, 0.0000083500000000, -0.0003927500000000 ] - [ 0.0002631900000000, 0.0000283300000000, -0.0002489000000000 ] - [ -0.0003548000000000, 0.0006129700000000, -0.0006190800000000 ] - [ -0.0002354600000000, 0.0001330600000000, 0.0003373300000000 ] - [ 0.0016313900000000, -0.0001044300000000, -0.0006483400000000 ] - [ 0.0006639100000000, 0.0006898600000000, -0.0002501000000000 ] - [ 0.0000008200000000, -0.0006356100000000, -0.0015219700000000 ] - [ 0.0000836300000000, 0.0004398700000000, -0.0005695700000000 ] - [ -0.0011484600000000, 0.0006545100000000, 0.0011705400000000 ] - [ -0.0009651000000000, 0.0010768300000000, 0.0011749000000000 ] - [ 0.0007790200000000, -0.0002439900000000, -0.0010333100000000 ] - [ 0.0006062200000000, -0.0003571600000000, -0.0007916800000000 ] - [ 0.0006641200000000, 0.0000939100000000, -0.0004682600000000 ] - [ 0.0003718900000000, -0.0003517600000000, -0.0005059900000000 ] - [ 0.0004699200000000, 0.0002724100000000, -0.0013452300000000 ] - [ -0.0000172400000000, -0.0001421800000000, -0.0004596000000000 ] - [ 0.0004757500000000, -0.0001018400000000, -0.0001122100000000 ] - [ 0.0003859300000000, -0.0001760600000000, -0.0001931100000000 ] - [ -0.0164819300000000, 0.0032491000000000, -0.0092812700000000 ] - [ 0.0000191200000000, 0.0002272900000000, 0.0002487200000000 ] - [ 0.0013360000000000, 0.0004604100000000, 0.0007442100000000 ] - [ -0.0002672500000000, 0.0003358000000000, -0.0000667200000000 ] - [ 0.0002369700000000, -0.0002803900000000, -0.0001952800000000 ] - [ 0.0001402300000000, -0.0002347000000000, 0.0000872500000000 ] - [ -0.0000542000000000, 0.0003424200000000, -0.0005534100000000 ] - [ -0.0002050300000000, -0.0000890200000000, -0.0001153400000000 ] - [ 0.0005511300000000, 0.0010284300000000, -0.0007081800000000 ] - [ 0.0005098300000000, -0.0011360700000000, -0.0007473900000000 ] - [ 0.0020250900000000, -0.0002706900000000, -0.0015898300000000 ] - [ 0.0002976400000000, 0.0002352200000000, -0.0004730400000000 ] - [ 0.0015796000000000, -0.0027239000000000, 0.0007423600000000 ] - [ 0.0012909800000000, 0.0023083700000000, -0.0003450700000000 ]- atom: 83 displacement: [ 0.0099999989202427, 0.0000000000000000, 0.0000046470576681 ] forces: - [ -0.0025798500000000, 0.0005190800000000, 0.0005890500000000 ] - [ -0.0000041900000000, -0.0000275100000000, 0.0000028100000000 ] - [ 0.0000522600000000, -0.0001268700000000, 0.0006429200000000 ] - [ 0.0000574500000000, 0.0001094600000000, 0.0003602200000000 ] - [ -0.0005309800000000, -0.0000789800000000, 0.0003351700000000 ] - [ -0.0000763600000000, 0.0000430200000000, 0.0000439300000000 ] - [ 0.0009383900000000, -0.0003196500000000, -0.0006289900000000 ] - [ 0.0001032600000000, 0.0002753900000000, -0.0003579600000000 ] - [ -0.0007042800000000, -0.0004987400000000, -0.0000402700000000 ] - [ -0.0012660800000000, 0.0008531100000000, 0.0001079700000000 ] - [ 0.0001241300000000, 0.0000597400000000, -0.0002121700000000 ] - [ -0.0000599000000000, -0.0000831800000000, -0.0007469600000000 ] - [ 0.0005672300000000, 0.0011234400000000, -0.0004517500000000 ] - [ 0.0005774900000000, -0.0016502400000000, -0.0010242600000000 ] - [ -0.0002144900000000, 0.0000557800000000, 0.0001651500000000 ] - [ -0.0002406900000000, -0.0001409800000000, 0.0002890900000000 ] - [ -0.0003459900000000, 0.0002819600000000, -0.0001308600000000 ] - [ -0.0012515900000000, -0.0002006400000000, -0.0002017100000000 ] - [ -0.0001198200000000, -0.0006084200000000, 0.0008009200000000 ] - [ -0.0024983900000000, 0.0014191100000000, 0.0044689400000000 ] - [ -0.0000712800000000, 0.0017988300000000, 0.0009084800000000 ] - [ -0.0012835600000000, -0.0023819400000000, 0.0013946800000000 ] - [ -0.0002258900000000, -0.0001845400000000, 0.0025591400000000 ] - [ -0.0000173600000000, -0.0000170500000000, 0.0007448200000000 ] - [ -0.0003683400000000, 0.0002457100000000, 0.0002319000000000 ] - [ -0.0005279200000000, 0.0000868600000000, 0.0004050100000000 ] - [ 0.0007656400000000, -0.0001515500000000, -0.0006089200000000 ] - [ 0.0730906200000000, -0.0709608900000000, 0.0401582100000000 ] - [ 0.0027454800000000, -0.0058902800000000, 0.0027458400000000 ] - [ 0.0002545300000000, 0.0025212700000000, 0.0009103900000000 ] - [ -0.0011314100000000, 0.0005489500000000, -0.0004318100000000 ] - [ -0.0005847300000000, -0.0001572700000000, -0.0004615100000000 ] - [ -0.0023638700000000, -0.0007042800000000, -0.0034677700000000 ] - [ -0.0000684000000000, 0.0001863100000000, -0.0003632600000000 ] - [ -0.0000858200000000, 0.0006064500000000, -0.0006906500000000 ] - [ 0.0000225100000000, -0.0006054800000000, -0.0023190800000000 ] - [ -0.0012961000000000, -0.0012634200000000, -0.0064683700000000 ] - [ 0.0001026200000000, 0.0000705300000000, -0.0001775900000000 ] - [ -0.0007495800000000, 0.0000885200000000, -0.0000061500000000 ] - [ -0.0003645600000000, 0.0000990000000000, 0.0001112900000000 ] - [ -0.0004295400000000, 0.0002956600000000, 0.0007405900000000 ] - [ -0.0011383000000000, -0.0000421000000000, 0.0017172400000000 ] - [ -0.0007890800000000, 0.0002009700000000, 0.0000471400000000 ] - [ -0.0009522600000000, -0.0000327900000000, 0.0000807900000000 ] - [ 0.0007816500000000, 0.0000956100000000, -0.0000030500000000 ] - [ 0.0051031200000000, -0.0002455900000000, 0.0009383800000000 ] - [ -0.0001498300000000, 0.0005690800000000, -0.0001754300000000 ] - [ -0.0005305500000000, -0.0004960400000000, -0.0004619900000000 ] - [ -0.0012498100000000, -0.0007089900000000, -0.0023214400000000 ] - [ -0.0001034200000000, 0.0000057300000000, -0.0003140100000000 ] - [ 0.0412401100000000, -0.0021035700000000, -0.0090045200000000 ] - [ 0.0003685800000000, 0.0004487400000000, 0.0000428400000000 ] - [ -0.0005875200000000, 0.0011615500000000, -0.0012130700000000 ] - [ -0.0001787700000000, -0.0001224800000000, -0.0001595600000000 ] - [ -0.0059621600000000, -0.0054567100000000, 0.0040518400000000 ] - [ -0.0001046400000000, 0.0006352000000000, 0.0000360200000000 ] - [ -0.0000783700000000, -0.0001663900000000, -0.0006456200000000 ] - [ -0.0001620500000000, -0.0002209900000000, -0.0001992800000000 ] - [ -0.0004835300000000, -0.0003236500000000, -0.0002013000000000 ] - [ 0.0004660900000000, 0.0026053500000000, -0.0043193400000000 ] - [ 0.0003451500000000, -0.0000121100000000, -0.0000092000000000 ] - [ 0.0002115300000000, 0.0001558800000000, 0.0000288600000000 ] - [ 0.0002358800000000, -0.0007331500000000, 0.0004448800000000 ] - [ 0.0006149800000000, -0.0000180000000000, 0.0005738500000000 ] - [ 0.0001218400000000, 0.0000242500000000, -0.0002745600000000 ] - [ 0.0002855800000000, 0.0000693700000000, -0.0006868300000000 ] - [ -0.0003051200000000, 0.0000670800000000, 0.0002693700000000 ] - [ -0.0038057000000000, -0.0000493700000000, 0.0018491300000000 ] - [ 0.0007864400000000, -0.0001178000000000, -0.0000378700000000 ] - [ 0.0006008500000000, 0.0005569000000000, -0.0001106400000000 ] - [ 0.0007117300000000, -0.0010776500000000, -0.0018163600000000 ] - [ 0.0000029200000000, 0.0008192000000000, -0.0005702800000000 ] - [ -0.0014202200000000, 0.0006664700000000, 0.0003622200000000 ] - [ -0.0027697700000000, -0.0026321800000000, -0.0005217500000000 ] - [ 0.0005024100000000, -0.0005337700000000, -0.0006645200000000 ] - [ 0.0009160900000000, -0.0000626500000000, -0.0010096400000000 ] - [ 0.0002796900000000, -0.0003545100000000, -0.0003870700000000 ] - [ 0.0005220400000000, -0.0000611100000000, -0.0003249400000000 ] - [ 0.0002252500000000, 0.0001815200000000, -0.0012095500000000 ] - [ -0.0001035100000000, -0.0002144400000000, -0.0004529700000000 ] - [ 0.0003823000000000, -0.0001255500000000, -0.0001731400000000 ] - [ 0.0005089700000000, -0.0001696000000000, -0.0001949800000000 ] - [ -0.1230801800000000, 0.0859540100000000, -0.0424094600000000 ] - [ 0.0000141200000000, 0.0000213200000000, 0.0001823000000000 ] - [ 0.0004746800000000, 0.0004472200000000, -0.0029158400000000 ] - [ -0.0002298900000000, 0.0000670600000000, -0.0003308600000000 ] - [ -0.0005734300000000, -0.0000052800000000, -0.0002234000000000 ] - [ 0.0000421300000000, -0.0002619100000000, 0.0000792000000000 ] - [ -0.0003138000000000, -0.0000813100000000, -0.0000739800000000 ] - [ -0.0011369100000000, 0.0001687700000000, -0.0002859800000000 ] - [ 0.0003391200000000, -0.0007776000000000, -0.0001206700000000 ] - [ 0.0008757700000000, 0.0008211100000000, -0.0001510000000000 ] - [ 0.0002101100000000, 0.0001278700000000, -0.0005944300000000 ] - [ 0.0009158900000000, -0.0000331100000000, -0.0015536900000000 ] - [ 0.0001149100000000, 0.0011134700000000, -0.0008865400000000 ] - [ 0.0001263900000000, -0.0011542300000000, -0.0008747000000000 ] - [ -0.0002007300000000, -0.0002384400000000, 0.0002467100000000 ] - [ 0.0007384300000000, 0.0021976100000000, 0.0025493200000000 ] - [ 0.0011026500000000, 0.0003733400000000, 0.0010922600000000 ] - [ 0.0002375500000000, 0.0000614900000000, 0.0002135800000000 ] - [ -0.0004196400000000, 0.0002497500000000, -0.0000578100000000 ] - [ -0.0054383000000000, -0.0052069600000000, -0.0155429700000000 ] - [ 0.0046968100000000, 0.0053925700000000, -0.0005057400000000 ] - [ 0.0000538600000000, -0.0010981000000000, 0.0003781500000000 ] - [ 0.0026732800000000, -0.0010129300000000, 0.0028865100000000 ] - [ 0.0000609600000000, 0.0001611100000000, 0.0002434100000000 ] - [ 0.0002438600000000, -0.0000977500000000, 0.0000799200000000 ] - [ 0.0002832600000000, 0.0001284500000000, -0.0002096500000000 ] - [ -0.0001147700000000, 0.0001020400000000, 0.0001258200000000 ] - [ 0.0124612100000000, -0.0047134900000000, 0.0023653100000000 ] - [ 0.0003034900000000, -0.0002146500000000, 0.0002057000000000 ] - [ 0.0008425700000000, -0.0004562300000000, 0.0012260000000000 ] - [ 0.0002816700000000, -0.0000469000000000, -0.0000358500000000 ] - [ 0.0000279800000000, -0.0000893500000000, -0.0000148900000000 ] - [ 0.0006631900000000, 0.0008164000000000, 0.0016996100000000 ] - [ 0.0002321000000000, 0.0000746200000000, 0.0002564500000000 ] - [ -0.0063371700000000, 0.0055723300000000, -0.0086636800000000 ] - [ -0.0004586500000000, -0.0010091500000000, -0.0006729800000000 ] - [ 0.0000388000000000, -0.0004908700000000, 0.0006031200000000 ] - [ 0.0001299600000000, -0.0001714700000000, 0.0004824800000000 ] - [ 0.0103643400000000, -0.0044086000000000, 0.0313267800000000 ] - [ -0.0004822300000000, -0.0001286200000000, -0.0001069300000000 ] - [ 0.0007039400000000, 0.0000429500000000, 0.0001931300000000 ] - [ 0.0007027300000000, 0.0001335300000000, 0.0001185400000000 ] - [ -0.0000029300000000, -0.0000541200000000, 0.0000785700000000 ] - [ -0.0000069200000000, 0.0004693500000000, 0.0003381000000000 ] - [ 0.0002879200000000, -0.0005615000000000, 0.0004488000000000 ] - [ 0.0001337600000000, -0.0000716700000000, 0.0004430700000000 ] - [ -0.0009012400000000, -0.0007634800000000, 0.0026591400000000 ] - [ -0.0002394900000000, -0.0000159600000000, 0.0000440100000000 ] - [ 0.0035712600000000, 0.0014535400000000, 0.0009972000000000 ] - [ 0.0002911400000000, -0.0002668700000000, 0.0002670200000000 ] - [ 0.0003297800000000, 0.0000962900000000, 0.0006925100000000 ] - [ -0.0001228700000000, 0.0000894400000000, 0.0004233900000000 ] - [ 0.0009459100000000, -0.0000758200000000, 0.0002867800000000 ] - [ 0.0002643800000000, -0.0000472800000000, 0.0000920200000000 ]- atom: 83 displacement: [ -0.0099999989202427, 0.0000000000000000, -0.0000046470576681 ] forces: - [ 0.0021866400000000, -0.0005210000000000, -0.0004924000000000 ] - [ -0.0002539400000000, 0.0000247000000000, 0.0000825300000000 ] - [ 0.0002469000000000, 0.0001025300000000, -0.0007201200000000 ] - [ 0.0002352300000000, -0.0001382100000000, -0.0004312600000000 ] - [ 0.0007878200000000, 0.0000741300000000, -0.0004178300000000 ] - [ 0.0003340200000000, -0.0000457800000000, -0.0001278500000000 ] - [ -0.0012252200000000, 0.0002830400000000, 0.0007010600000000 ] - [ -0.0003947200000000, -0.0002962100000000, 0.0004290200000000 ] - [ 0.0004468400000000, 0.0004915500000000, 0.0001255400000000 ] - [ 0.0010038200000000, -0.0008498600000000, -0.0000210100000000 ] - [ 0.0001666900000000, -0.0000866100000000, 0.0001440800000000 ] - [ 0.0003467000000000, 0.0000566100000000, 0.0006719600000000 ] - [ -0.0003184500000000, -0.0011222800000000, 0.0003690900000000 ] - [ -0.0003297900000000, 0.0016426300000000, 0.0009456400000000 ] - [ -0.0000768300000000, -0.0000818700000000, -0.0000977500000000 ] - [ -0.0000506500000000, 0.0001131800000000, -0.0002258600000000 ] - [ 0.0003443400000000, -0.0001873700000000, 0.0001312300000000 ] - [ 0.0012555400000000, 0.0002911200000000, 0.0002014000000000 ] - [ -0.0004063400000000, 0.0008229900000000, -0.0006531700000000 ] - [ 0.0020925900000000, -0.0012424500000000, -0.0042795900000000 ] - [ 0.0005178000000000, -0.0017946400000000, -0.0005463300000000 ] - [ 0.0017353600000000, 0.0023953100000000, -0.0010416900000000 ] - [ 0.0002364100000000, 0.0004607600000000, -0.0025585900000000 ] - [ 0.0000193300000000, 0.0003045600000000, -0.0007449700000000 ] - [ -0.0000725800000000, -0.0002405200000000, -0.0005930300000000 ] - [ 0.0000928600000000, -0.0000816400000000, -0.0007685300000000 ] - [ -0.0002349000000000, 0.0003639900000000, 0.0004644100000000 ] - [ -0.0719167800000000, 0.0688136600000000, -0.0386072200000000 ] - [ -0.0026433000000000, 0.0060258700000000, -0.0026760600000000 ] - [ -0.0002466600000000, -0.0024342100000000, -0.0009017300000000 ] - [ 0.0006060400000000, -0.0003679300000000, 0.0005884300000000 ] - [ 0.0000574900000000, 0.0003464200000000, 0.0006191600000000 ] - [ 0.0027861200000000, 0.0007037700000000, 0.0038114000000000 ] - [ 0.0005126200000000, -0.0001798100000000, 0.0007256800000000 ] - [ 0.0000809600000000, -0.0003239300000000, 0.0006874200000000 ] - [ -0.0000293500000000, 0.0008847600000000, 0.0023050800000000 ] - [ 0.0008212900000000, 0.0012778000000000, 0.0060278600000000 ] - [ -0.0005504000000000, -0.0000645300000000, -0.0001854300000000 ] - [ 0.0012754500000000, 0.0000935000000000, -0.0001545000000000 ] - [ 0.0008885500000000, 0.0000897700000000, -0.0002740700000000 ] - [ 0.0001613300000000, -0.0003696800000000, -0.0006132200000000 ] - [ 0.0008907300000000, -0.0000355600000000, -0.0015944000000000 ] - [ 0.0000158300000000, -0.0000307500000000, 0.0001011500000000 ] - [ 0.0001756900000000, 0.0002060500000000, 0.0000659900000000 ] - [ -0.0005132200000000, -0.0001696700000000, -0.0001248700000000 ] - [ -0.0047800300000000, 0.0001712400000000, -0.0010874700000000 ] - [ 0.0009244300000000, -0.0004001300000000, 0.0000278000000000 ] - [ 0.0013083100000000, 0.0006696100000000, 0.0003153700000000 ] - [ 0.0009695300000000, 0.0006271300000000, 0.0024408500000000 ] - [ -0.0001701200000000, -0.0000779900000000, 0.0004424800000000 ] - [ -0.0422652900000000, 0.0023989500000000, 0.0095248500000000 ] - [ -0.0011462300000000, -0.0002764000000000, 0.0001076300000000 ] - [ 0.0008543400000000, -0.0012307600000000, 0.0010719000000000 ] - [ 0.0004490100000000, 0.0000463000000000, 0.0000268300000000 ] - [ 0.0066888500000000, 0.0055598400000000, -0.0041432800000000 ] - [ 0.0008811100000000, -0.0004632200000000, -0.0001834600000000 ] - [ -0.0002602200000000, 0.0000816800000000, 0.0008486500000000 ] - [ -0.0001775500000000, 0.0001334500000000, 0.0004067200000000 ] - [ 0.0004528200000000, 0.0005290900000000, 0.0002281300000000 ] - [ -0.0005068600000000, -0.0023992800000000, 0.0043539900000000 ] - [ -0.0004693100000000, 0.0003517100000000, 0.0000073500000000 ] - [ -0.0003238100000000, 0.0001802000000000, -0.0000330400000000 ] - [ -0.0004182500000000, 0.0000698000000000, 0.0004394100000000 ] - [ -0.0008030800000000, -0.0006455000000000, 0.0003074700000000 ] - [ -0.0000961800000000, 0.0001848100000000, 0.0002482800000000 ] - [ -0.0002673700000000, 0.0001430000000000, 0.0006603300000000 ] - [ 0.0004778400000000, 0.0001118600000000, -0.0003936800000000 ] - [ 0.0039805800000000, 0.0001517500000000, -0.0017957700000000 ] - [ -0.0006654600000000, 0.0004591100000000, 0.0000418700000000 ] - [ -0.0004700700000000, -0.0002201800000000, 0.0001111300000000 ] - [ -0.0003790000000000, 0.0009962600000000, 0.0016182300000000 ] - [ 0.0003328900000000, -0.0009089400000000, 0.0003646000000000 ] - [ 0.0010504900000000, -0.0007316800000000, -0.0003072500000000 ] - [ 0.0023738300000000, 0.0025603800000000, 0.0005713800000000 ] - [ -0.0001248500000000, 0.0005754800000000, 0.0006131400000000 ] - [ -0.0005477000000000, 0.0001067200000000, 0.0009678500000000 ] - [ -0.0000964200000000, -0.0003079900000000, -0.0004970000000000 ] - [ -0.0003375700000000, -0.0006009900000000, -0.0005555300000000 ] - [ -0.0006618300000000, -0.0006745400000000, 0.0008346000000000 ] - [ -0.0003331000000000, -0.0002851100000000, 0.0000746100000000 ] - [ -0.0002959600000000, -0.0000944700000000, 0.0001015600000000 ] - [ -0.0004214400000000, -0.0000518600000000, 0.0001283900000000 ] - [ 0.1233565600000000, -0.0833140000000000, 0.0402687600000000 ] - [ 0.0006280800000000, 0.0002649200000000, 0.0000212300000000 ] - [ -0.0011305200000000, -0.0001600800000000, 0.0026662100000000 ] - [ -0.0004099600000000, 0.0002218300000000, 0.0001230400000000 ] - [ 0.0009891900000000, -0.0004757900000000, 0.0006105100000000 ] - [ 0.0003917200000000, -0.0002364000000000, 0.0003007600000000 ] - [ -0.0000641000000000, 0.0001225800000000, 0.0001257200000000 ] - [ 0.0007481200000000, -0.0001374400000000, 0.0003500200000000 ] - [ -0.0004260600000000, 0.0005585400000000, 0.0001920700000000 ] - [ -0.0009675000000000, -0.0010466300000000, 0.0002177800000000 ] - [ -0.0003853000000000, 0.0000515400000000, 0.0007131000000000 ] - [ -0.0011255700000000, 0.0002190200000000, 0.0017034700000000 ] - [ 0.0002348800000000, -0.0011708300000000, 0.0008119800000000 ] - [ 0.0002247300000000, 0.0011195700000000, 0.0007887700000000 ] - [ -0.0001332700000000, 0.0001559500000000, -0.0000371800000000 ] - [ -0.0010658100000000, -0.0022698700000000, -0.0023347200000000 ] - [ -0.0011208500000000, -0.0001572500000000, -0.0010585000000000 ] - [ -0.0002693600000000, 0.0001445100000000, -0.0001860500000000 ] - [ 0.0002991200000000, 0.0000853100000000, 0.0000555300000000 ] - [ 0.0050931000000000, 0.0056164900000000, 0.0156522300000000 ] - [ -0.0048056800000000, -0.0059604500000000, 0.0013686300000000 ] - [ -0.0002456600000000, 0.0004375600000000, 0.0004955900000000 ] - [ -0.0026318700000000, 0.0012155800000000, -0.0029043200000000 ] - [ -0.0000286400000000, 0.0000450200000000, -0.0002680100000000 ] - [ -0.0000702700000000, 0.0002781200000000, -0.0001938500000000 ] - [ -0.0001126100000000, 0.0000509200000000, 0.0001013100000000 ] - [ 0.0002330400000000, 0.0002366900000000, -0.0001263400000000 ] - [ -0.0120313500000000, 0.0049524100000000, -0.0023177200000000 ] - [ 0.0000319600000000, 0.0001312900000000, -0.0004123100000000 ] - [ -0.0004985700000000, 0.0003602500000000, -0.0014209400000000 ] - [ -0.0006523700000000, 0.0000037600000000, 0.0001104400000000 ] - [ -0.0004017600000000, 0.0000391000000000, 0.0000883300000000 ] - [ -0.0002844300000000, -0.0007679900000000, -0.0017383800000000 ] - [ 0.0001481000000000, -0.0000360800000000, -0.0003112900000000 ] - [ 0.0064108700000000, -0.0063425100000000, 0.0078871700000000 ] - [ 0.0006498900000000, 0.0003482900000000, -0.0002079400000000 ] - [ -0.0004711900000000, -0.0000020400000000, -0.0009832900000000 ] - [ -0.0005558100000000, -0.0003235100000000, -0.0008594200000000 ] - [ -0.0102935100000000, 0.0042203800000000, -0.0316003300000000 ] - [ 0.0005756300000000, -0.0000939100000000, 0.0000351600000000 ] - [ -0.0000689800000000, 0.0002481500000000, 0.0000185700000000 ] - [ -0.0000711500000000, 0.0001614400000000, 0.0000908600000000 ] - [ -0.0006316000000000, 0.0003454000000000, -0.0002858900000000 ] - [ -0.0006347400000000, -0.0001889100000000, -0.0005560600000000 ] - [ 0.0001504100000000, 0.0000650700000000, -0.0000634100000000 ] - [ 0.0002981400000000, -0.0004191600000000, -0.0000577200000000 ] - [ 0.0005254900000000, 0.0007984300000000, -0.0025970200000000 ] - [ -0.0001381700000000, 0.0000556600000000, 0.0000110700000000 ] - [ -0.0036390500000000, -0.0016586300000000, -0.0009353800000000 ] - [ -0.0003841300000000, 0.0000444400000000, -0.0001946400000000 ] - [ -0.0005015800000000, 0.0000855700000000, -0.0005717600000000 ] - [ -0.0000500800000000, 0.0000886200000000, -0.0002914100000000 ] - [ -0.0005768600000000, 0.0000330100000000, -0.0003610000000000 ] - [ 0.0001051800000000, 0.0000125900000000, -0.0001689700000000 ]- atom: 83 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007338400000000, 0.0016029000000000, -0.0003855800000000 ] - [ -0.0001930200000000, -0.0005091600000000, 0.0000142500000000 ] - [ -0.0005771500000000, 0.0004403900000000, 0.0008655300000000 ] - [ 0.0001690900000000, -0.0004649800000000, -0.0003500000000000 ] - [ 0.0001909100000000, 0.0003039900000000, 0.0000339400000000 ] - [ 0.0001506800000000, -0.0002805100000000, -0.0000431100000000 ] - [ -0.0006434500000000, 0.0003420600000000, -0.0023712500000000 ] - [ -0.0000476000000000, -0.0011005100000000, 0.0009735900000000 ] - [ -0.0006460200000000, -0.0002294300000000, -0.0000312800000000 ] - [ 0.0006576500000000, -0.0001722600000000, 0.0001353900000000 ] - [ 0.0001301400000000, -0.0002976500000000, -0.0001202500000000 ] - [ 0.0006622000000000, 0.0002965100000000, 0.0005753200000000 ] - [ 0.0013291500000000, -0.0014232700000000, 0.0006523800000000 ] - [ -0.0013483800000000, -0.0005022800000000, -0.0014341000000000 ] - [ -0.0001100400000000, -0.0002743400000000, 0.0001500500000000 ] - [ -0.0003386500000000, 0.0002745900000000, -0.0001589800000000 ] - [ 0.0000979800000000, -0.0006549100000000, 0.0000961500000000 ] - [ 0.0002229100000000, 0.0009049300000000, 0.0000479200000000 ] - [ -0.0004019100000000, -0.0031911800000000, 0.0005799600000000 ] - [ 0.0049287300000000, 0.0030346000000000, -0.0004510900000000 ] - [ 0.0008348900000000, -0.0009854400000000, -0.0004041100000000 ] - [ -0.0017865800000000, -0.0014626400000000, 0.0002585700000000 ] - [ -0.0003265400000000, 0.0028750700000000, -0.0010667900000000 ] - [ -0.0001214800000000, -0.0015040700000000, 0.0002714400000000 ] - [ -0.0002233200000000, 0.0000533800000000, -0.0004002100000000 ] - [ -0.0006066900000000, -0.0003716600000000, 0.0006825200000000 ] - [ -0.0002340900000000, -0.0050159900000000, -0.0011797500000000 ] - [ -0.0663721400000000, 0.1026480400000000, -0.0502605500000000 ] - [ -0.0110427500000000, -0.0110775500000000, 0.0003967700000000 ] - [ 0.0059607100000000, -0.0059906600000000, -0.0066578500000000 ] - [ 0.0002231700000000, 0.0004274800000000, -0.0000682700000000 ] - [ -0.0002044500000000, -0.0003691300000000, 0.0002782900000000 ] - [ 0.0007418800000000, 0.0012324200000000, 0.0009121000000000 ] - [ 0.0005148100000000, -0.0008258500000000, 0.0004790000000000 ] - [ 0.0001990200000000, -0.0007120100000000, 0.0003326700000000 ] - [ 0.0000052300000000, 0.0011137200000000, 0.0007157200000000 ] - [ 0.0007102400000000, 0.0010205600000000, 0.0023287400000000 ] - [ -0.0004002300000000, -0.0010475400000000, -0.0003960000000000 ] - [ 0.0004700600000000, 0.0004297800000000, 0.0002826600000000 ] - [ 0.0001493100000000, -0.0002616700000000, -0.0000645700000000 ] - [ -0.0004988100000000, -0.0008381600000000, 0.0002464600000000 ] - [ 0.0004813800000000, 0.0008300300000000, -0.0003541300000000 ] - [ -0.0005024300000000, -0.0000527000000000, 0.0001295800000000 ] - [ 0.0000393700000000, 0.0001684400000000, 0.0002428400000000 ] - [ 0.0004168100000000, -0.0008210600000000, -0.0008009300000000 ] - [ -0.0025107100000000, 0.0010466000000000, 0.0030099200000000 ] - [ 0.0011367700000000, -0.0001268500000000, -0.0000018200000000 ] - [ -0.0005946600000000, 0.0002856500000000, -0.0002899100000000 ] - [ 0.0003857800000000, 0.0003392500000000, 0.0007653600000000 ] - [ 0.0000348600000000, -0.0002435500000000, 0.0000164000000000 ] - [ -0.0012550100000000, 0.0449817200000000, 0.0001783000000000 ] - [ -0.0009996700000000, -0.0028949800000000, 0.0005496600000000 ] - [ 0.0003210800000000, -0.0003228500000000, 0.0007067400000000 ] - [ 0.0001409300000000, -0.0002229000000000, -0.0000017900000000 ] - [ -0.0002618800000000, 0.0100403100000000, -0.0011778100000000 ] - [ 0.0009190600000000, -0.0032084700000000, -0.0007275000000000 ] - [ -0.0000376300000000, -0.0005971600000000, 0.0002398100000000 ] - [ -0.0000459100000000, 0.0006130200000000, 0.0000900800000000 ] - [ -0.0000461500000000, 0.0006605800000000, 0.0003991700000000 ] - [ 0.0025074100000000, 0.0008221900000000, -0.0025981500000000 ] - [ -0.0001759400000000, 0.0001087900000000, 0.0000169300000000 ] - [ -0.0001741300000000, 0.0003049600000000, -0.0000890900000000 ] - [ -0.0003837600000000, 0.0001203700000000, 0.0004042800000000 ] - [ 0.0000886500000000, -0.0008424500000000, 0.0004792400000000 ] - [ 0.0001542000000000, 0.0003612300000000, -0.0000596800000000 ] - [ -0.0000061600000000, -0.0001689900000000, -0.0000675000000000 ] - [ -0.0000918800000000, 0.0009939900000000, 0.0007246700000000 ] - [ 0.0004888800000000, -0.0005316300000000, -0.0042323600000000 ] - [ -0.0002145800000000, 0.0000774800000000, -0.0000237800000000 ] - [ 0.0003479500000000, 0.0003488600000000, 0.0000049500000000 ] - [ -0.0006860400000000, -0.0003402000000000, 0.0014426100000000 ] - [ 0.0004244000000000, 0.0009742300000000, -0.0005092500000000 ] - [ 0.0008290500000000, 0.0057848300000000, 0.0015063200000000 ] - [ -0.0075601700000000, 0.0144854400000000, 0.0027967600000000 ] - [ 0.0001147500000000, 0.0005278300000000, 0.0002162000000000 ] - [ 0.0006062900000000, 0.0000179500000000, -0.0001467100000000 ] - [ 0.0001211600000000, -0.0000710100000000, -0.0004540600000000 ] - [ -0.0000961700000000, -0.0006607500000000, -0.0005969700000000 ] - [ -0.0002635300000000, -0.0015150600000000, 0.0001690200000000 ] - [ 0.0000113300000000, 0.0006034600000000, -0.0003807400000000 ] - [ 0.0001333700000000, -0.0000948100000000, -0.0000173000000000 ] - [ -0.0002343900000000, -0.0000608000000000, -0.0003310100000000 ] - [ 0.0830630300000000, -0.1634681700000000, 0.0726046200000000 ] - [ 0.0002011800000000, 0.0022803000000000, -0.0003976800000000 ] - [ -0.0006268400000000, -0.0027777600000000, -0.0003070700000000 ] - [ -0.0002310700000000, 0.0015172000000000, 0.0004987000000000 ] - [ 0.0008685300000000, -0.0021820400000000, -0.0005108100000000 ] - [ 0.0000728600000000, 0.0006945800000000, 0.0004296900000000 ] - [ -0.0003143300000000, 0.0002635700000000, 0.0003112100000000 ] - [ 0.0004350700000000, 0.0005506100000000, -0.0012946200000000 ] - [ -0.0007339900000000, 0.0002231900000000, 0.0001662000000000 ] - [ 0.0010510700000000, 0.0000395600000000, 0.0003480200000000 ] - [ 0.0001300000000000, 0.0007015000000000, -0.0002968500000000 ] - [ -0.0017056100000000, -0.0002869900000000, 0.0016318900000000 ] - [ 0.0017549400000000, 0.0027471800000000, -0.0008438200000000 ] - [ -0.0012266000000000, -0.0001876300000000, 0.0013254900000000 ] - [ -0.0001734900000000, 0.0006572500000000, 0.0000667300000000 ] - [ -0.0007945500000000, -0.0019869400000000, -0.0010938900000000 ] - [ -0.0003758400000000, -0.0001431800000000, -0.0004116900000000 ] - [ -0.0000385900000000, 0.0003041800000000, -0.0000358100000000 ] - [ -0.0004094700000000, 0.0021912500000000, 0.0000381400000000 ] - [ -0.0089082400000000, -0.0006358100000000, 0.0227166900000000 ] - [ 0.0077237400000000, -0.0014340600000000, 0.0004830100000000 ] - [ -0.0023563100000000, 0.0033599600000000, 0.0010161500000000 ] - [ -0.0009263400000000, 0.0003411600000000, -0.0009798000000000 ] - [ -0.0000718300000000, 0.0003900400000000, 0.0000211500000000 ] - [ 0.0001468400000000, 0.0000663500000000, -0.0004614300000000 ] - [ 0.0001759500000000, 0.0002025700000000, -0.0000479400000000 ] - [ 0.0010240300000000, 0.0023558800000000, -0.0001572700000000 ] - [ -0.0072300100000000, -0.0034370600000000, 0.0003395200000000 ] - [ 0.0000654300000000, 0.0005743600000000, -0.0003151200000000 ] - [ 0.0000055400000000, -0.0005036500000000, -0.0004069200000000 ] - [ -0.0002063700000000, -0.0004669800000000, -0.0001309800000000 ] - [ -0.0002322500000000, 0.0003641100000000, 0.0001021200000000 ] - [ 0.0000751400000000, -0.0006645000000000, -0.0004255800000000 ] - [ 0.0000438400000000, 0.0003425600000000, -0.0000217100000000 ] - [ 0.0105874200000000, 0.0133370100000000, -0.0298462600000000 ] - [ 0.0006816100000000, 0.0024732600000000, 0.0005699800000000 ] - [ -0.0002280100000000, -0.0000657800000000, -0.0002928500000000 ] - [ -0.0006502200000000, -0.0003998100000000, -0.0005048100000000 ] - [ -0.0057914600000000, -0.0060469900000000, -0.0092418400000000 ] - [ 0.0002807400000000, 0.0006980100000000, 0.0000742500000000 ] - [ 0.0002978200000000, 0.0001839600000000, -0.0000164300000000 ] - [ 0.0002142400000000, 0.0001786200000000, -0.0000198800000000 ] - [ -0.0006485700000000, 0.0001655500000000, -0.0001505600000000 ] - [ -0.0001165800000000, 0.0001736900000000, 0.0000085800000000 ] - [ -0.0000587800000000, 0.0000256600000000, -0.0002511600000000 ] - [ 0.0004032600000000, -0.0003678400000000, 0.0002814600000000 ] - [ -0.0002326600000000, -0.0001547500000000, -0.0011648900000000 ] - [ -0.0001141600000000, 0.0003442800000000, 0.0000100400000000 ] - [ -0.0004599900000000, -0.0025600500000000, 0.0000707700000000 ] - [ -0.0005002800000000, 0.0007389400000000, -0.0001226400000000 ] - [ -0.0002844600000000, -0.0000598400000000, 0.0002059000000000 ] - [ -0.0002736200000000, 0.0002743300000000, -0.0001244700000000 ] - [ -0.0001160100000000, -0.0004897500000000, 0.0000311000000000 ] - [ 0.0002122800000000, 0.0004003900000000, -0.0001706200000000 ]- atom: 83 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009976500000000, -0.0016054700000000, 0.0004852900000000 ] - [ -0.0000591200000000, 0.0005105900000000, 0.0000763900000000 ] - [ 0.0008794100000000, -0.0004656000000000, -0.0009427800000000 ] - [ 0.0001273900000000, 0.0004342200000000, 0.0002809200000000 ] - [ 0.0000661500000000, -0.0003061100000000, -0.0001260900000000 ] - [ 0.0001038000000000, 0.0002805400000000, -0.0000471700000000 ] - [ 0.0003501600000000, -0.0003723100000000, 0.0024471300000000 ] - [ -0.0002496100000000, 0.0010815700000000, -0.0009145300000000 ] - [ 0.0003910800000000, 0.0002309600000000, 0.0001199000000000 ] - [ -0.0009145200000000, 0.0001678400000000, -0.0000471200000000 ] - [ 0.0001627400000000, 0.0002710500000000, 0.0000494000000000 ] - [ -0.0003762700000000, -0.0003272900000000, -0.0006518100000000 ] - [ -0.0010757000000000, 0.0014320600000000, -0.0007356000000000 ] - [ 0.0016080900000000, 0.0004889800000000, 0.0013607100000000 ] - [ -0.0001836200000000, 0.0002477700000000, -0.0000806400000000 ] - [ 0.0000465800000000, -0.0003057100000000, 0.0002237600000000 ] - [ -0.0000976900000000, 0.0007519800000000, -0.0000977300000000 ] - [ -0.0002271900000000, -0.0008169800000000, -0.0000491800000000 ] - [ -0.0001209800000000, 0.0033933600000000, -0.0004277100000000 ] - [ -0.0053428000000000, -0.0028873400000000, 0.0005956400000000 ] - [ -0.0003840900000000, 0.0009942000000000, 0.0007727500000000 ] - [ 0.0022584100000000, 0.0014821200000000, 0.0001091000000000 ] - [ 0.0003403800000000, -0.0026035800000000, 0.0010684100000000 ] - [ 0.0001255900000000, 0.0017967500000000, -0.0002758600000000 ] - [ -0.0002210400000000, -0.0000461100000000, 0.0000306700000000 ] - [ 0.0001717200000000, 0.0003779900000000, -0.0010615200000000 ] - [ 0.0007530400000000, 0.0052113900000000, 0.0010224300000000 ] - [ 0.0703087200000000, -0.1055396500000000, 0.0532209900000000 ] - [ 0.0110316700000000, 0.0111885000000000, -0.0002957300000000 ] - [ -0.0060441100000000, 0.0061077000000000, 0.0067531200000000 ] - [ -0.0007510400000000, -0.0002370800000000, 0.0002228300000000 ] - [ -0.0003165400000000, 0.0005586700000000, -0.0001328700000000 ] - [ -0.0003013300000000, -0.0012270700000000, -0.0005514300000000 ] - [ -0.0000751600000000, 0.0008342400000000, -0.0001191400000000 ] - [ -0.0002012500000000, 0.0010071100000000, -0.0003363600000000 ] - [ -0.0000105500000000, -0.0008451900000000, -0.0007272600000000 ] - [ -0.0011914000000000, -0.0010330200000000, -0.0027776700000000 ] - [ -0.0000423800000000, 0.0010573900000000, 0.0000376400000000 ] - [ 0.0000453700000000, -0.0002426700000000, -0.0004429700000000 ] - [ 0.0003693200000000, 0.0004491600000000, -0.0000875700000000 ] - [ 0.0002323300000000, 0.0007673600000000, -0.0001178400000000 ] - [ -0.0007301000000000, -0.0009129600000000, 0.0004729600000000 ] - [ -0.0002732400000000, 0.0002266000000000, 0.0000172500000000 ] - [ -0.0008152600000000, 0.0000007800000000, -0.0000968100000000 ] - [ -0.0001438900000000, 0.0007496500000000, 0.0006713900000000 ] - [ 0.0028378500000000, -0.0011196700000000, -0.0031830000000000 ] - [ -0.0003623200000000, 0.0003009700000000, -0.0001434400000000 ] - [ 0.0013770500000000, -0.0001179300000000, 0.0001433500000000 ] - [ -0.0006703200000000, -0.0004140900000000, -0.0006498800000000 ] - [ -0.0003094500000000, 0.0001657500000000, 0.0001150800000000 ] - [ 0.0002989900000000, -0.0446622600000000, 0.0001687200000000 ] - [ 0.0002339500000000, 0.0030829600000000, -0.0003939400000000 ] - [ -0.0000492200000000, 0.0002636800000000, -0.0008487400000000 ] - [ 0.0001303700000000, 0.0001417300000000, -0.0001314600000000 ] - [ 0.0010468600000000, -0.0098749000000000, 0.0010534200000000 ] - [ -0.0001555900000000, 0.0033946200000000, 0.0005881300000000 ] - [ -0.0003028600000000, 0.0005103100000000, -0.0000276600000000 ] - [ -0.0002913700000000, -0.0006953200000000, 0.0001257100000000 ] - [ 0.0000048100000000, -0.0004617500000000, -0.0003797200000000 ] - [ -0.0025883400000000, -0.0006289300000000, 0.0026440100000000 ] - [ 0.0000628300000000, 0.0002234800000000, -0.0000243900000000 ] - [ 0.0000486600000000, 0.0000308900000000, 0.0000864900000000 ] - [ 0.0002021000000000, -0.0007785200000000, 0.0004821600000000 ] - [ -0.0002739100000000, 0.0001923100000000, 0.0004049900000000 ] - [ -0.0001247200000000, -0.0001509500000000, 0.0000412600000000 ] - [ 0.0000313900000000, 0.0003766100000000, 0.0000511400000000 ] - [ 0.0002759100000000, -0.0008180800000000, -0.0008343100000000 ] - [ -0.0002738000000000, 0.0006380600000000, 0.0043424800000000 ] - [ 0.0003542900000000, 0.0002587500000000, 0.0000262500000000 ] - [ -0.0002245300000000, -0.0000133500000000, 0.0000000000000000 ] - [ 0.0010166600000000, 0.0002619400000000, -0.0016563400000000 ] - [ -0.0000943800000000, -0.0010650200000000, 0.0003005500000000 ] - [ -0.0011858700000000, -0.0057992000000000, -0.0014441700000000 ] - [ 0.0073185000000000, -0.0149021200000000, -0.0027644900000000 ] - [ 0.0002648600000000, -0.0004925200000000, -0.0002783800000000 ] - [ -0.0002443800000000, 0.0000242000000000, 0.0001005100000000 ] - [ 0.0000620400000000, -0.0005861900000000, -0.0004330600000000 ] - [ 0.0002826400000000, 0.0000099400000000, -0.0002863500000000 ] - [ -0.0001860300000000, 0.0010292600000000, -0.0005560200000000 ] - [ -0.0004570600000000, -0.0010968900000000, -0.0000084900000000 ] - [ -0.0000509600000000, -0.0001271300000000, -0.0000358100000000 ] - [ 0.0003129800000000, -0.0001588600000000, 0.0002716100000000 ] - [ -0.0861513500000000, 0.1669922800000000, -0.0758658000000000 ] - [ 0.0004292100000000, -0.0019954500000000, 0.0006078500000000 ] - [ -0.0000225400000000, 0.0030716900000000, 0.0000828200000000 ] - [ -0.0003986400000000, -0.0012303000000000, -0.0007136600000000 ] - [ -0.0004414100000000, 0.0017123400000000, 0.0009105700000000 ] - [ 0.0003697100000000, -0.0011884200000000, -0.0000402300000000 ] - [ -0.0000573600000000, -0.0002266100000000, -0.0002581100000000 ] - [ -0.0008246200000000, -0.0005244700000000, 0.0013719400000000 ] - [ 0.0006540500000000, -0.0004451700000000, -0.0001034300000000 ] - [ -0.0011411000000000, -0.0002596100000000, -0.0002951500000000 ] - [ -0.0003145900000000, -0.0005250800000000, 0.0004061800000000 ] - [ 0.0014954000000000, 0.0004722500000000, -0.0015040700000000 ] - [ -0.0013934000000000, -0.0028105700000000, 0.0007713800000000 ] - [ 0.0016001100000000, 0.0001744200000000, -0.0014237500000000 ] - [ -0.0001607600000000, -0.0007434000000000, 0.0001452300000000 ] - [ 0.0004680400000000, 0.0019208400000000, 0.0013199800000000 ] - [ 0.0003469700000000, 0.0003501400000000, 0.0004367400000000 ] - [ 0.0000054200000000, -0.0000984000000000, 0.0000579000000000 ] - [ 0.0002824800000000, -0.0018663100000000, -0.0000475700000000 ] - [ 0.0087377800000000, 0.0011376400000000, -0.0227348300000000 ] - [ -0.0078661300000000, 0.0007701200000000, 0.0003980600000000 ] - [ 0.0022063200000000, -0.0040448400000000, -0.0001344400000000 ] - [ 0.0009890500000000, -0.0001464300000000, 0.0009857200000000 ] - [ 0.0001088400000000, -0.0001856900000000, -0.0000417400000000 ] - [ 0.0000314500000000, 0.0001098400000000, 0.0003672200000000 ] - [ 0.0000074800000000, -0.0000221900000000, -0.0000618600000000 ] - [ -0.0008925700000000, -0.0020266100000000, 0.0001626000000000 ] - [ 0.0074453100000000, 0.0038253200000000, -0.0003611700000000 ] - [ 0.0002698700000000, -0.0006599200000000, 0.0001039300000000 ] - [ 0.0003326600000000, 0.0004202700000000, 0.0001977700000000 ] - [ -0.0001623700000000, 0.0004126300000000, 0.0002000700000000 ] - [ -0.0001353800000000, -0.0004098200000000, -0.0000293600000000 ] - [ 0.0003036900000000, 0.0007058100000000, 0.0003759100000000 ] - [ 0.0003364600000000, -0.0003056100000000, -0.0000354800000000 ] - [ -0.0103457400000000, -0.0140161300000000, 0.0286540000000000 ] - [ -0.0005028400000000, -0.0031481900000000, -0.0014794200000000 ] - [ -0.0002134200000000, -0.0004294700000000, -0.0000916000000000 ] - [ 0.0002138300000000, -0.0000830000000000, 0.0001158100000000 ] - [ 0.0060150100000000, 0.0057409600000000, 0.0093870700000000 ] - [ -0.0002074100000000, -0.0009217000000000, -0.0001400100000000 ] - [ 0.0003295800000000, 0.0001136400000000, 0.0002247600000000 ] - [ 0.0004191300000000, 0.0001133300000000, 0.0002326400000000 ] - [ 0.0000132600000000, 0.0001165300000000, -0.0000704500000000 ] - [ -0.0005159500000000, 0.0001194700000000, -0.0002191500000000 ] - [ 0.0005039800000000, -0.0005218800000000, 0.0006449900000000 ] - [ 0.0000400200000000, -0.0001138400000000, 0.0001125500000000 ] - [ -0.0001452700000000, 0.0001822700000000, 0.0012481700000000 ] - [ -0.0002638900000000, -0.0003075100000000, 0.0000473000000000 ] - [ 0.0003875500000000, 0.0023385600000000, -0.0000163600000000 ] - [ 0.0004306800000000, -0.0009631200000000, 0.0001875000000000 ] - [ 0.0001076000000000, 0.0002392800000000, -0.0000823300000000 ] - [ 0.0000922700000000, -0.0000953400000000, 0.0002367700000000 ] - [ 0.0004848300000000, 0.0004554600000000, -0.0001047800000000 ] - [ 0.0001556500000000, -0.0004481700000000, 0.0000998400000000 ]- atom: 83 displacement: [ -0.0066066504307377, 0.0000000000000000, 0.0075068082489187 ] forces: - [ 0.0017434900000000, -0.0007644600000000, 0.0016459400000000 ] - [ -0.0001925200000000, 0.0001945600000000, 0.0003383900000000 ] - [ 0.0014373100000000, 0.0004419500000000, -0.0015854600000000 ] - [ 0.0005937500000000, -0.0003293900000000, -0.0005313100000000 ] - [ 0.0007503900000000, -0.0000817700000000, -0.0006672300000000 ] - [ 0.0003196100000000, 0.0001074100000000, -0.0002823300000000 ] - [ -0.0019159400000000, -0.0022947000000000, -0.0010262700000000 ] - [ -0.0006252400000000, 0.0010690500000000, 0.0002163700000000 ] - [ 0.0002925500000000, 0.0002945600000000, 0.0000465300000000 ] - [ 0.0002745600000000, -0.0003333700000000, 0.0000179100000000 ] - [ -0.0001167700000000, -0.0000053400000000, 0.0000216200000000 ] - [ -0.0011502500000000, -0.0000840700000000, -0.0008497000000000 ] - [ -0.0009651100000000, 0.0006011800000000, 0.0006133700000000 ] - [ -0.0008943900000000, -0.0003577100000000, 0.0014503800000000 ] - [ 0.0000596600000000, 0.0001124100000000, -0.0002332900000000 ] - [ 0.0002353600000000, -0.0002066000000000, -0.0009049200000000 ] - [ 0.0001816800000000, 0.0001110900000000, -0.0000616300000000 ] - [ 0.0006262200000000, -0.0004684800000000, -0.0002216900000000 ] - [ 0.0000653300000000, 0.0021914800000000, -0.0008590600000000 ] - [ 0.0147430500000000, -0.0037142100000000, -0.0018077900000000 ] - [ 0.0014336100000000, -0.0025825500000000, 0.0004279700000000 ] - [ 0.0050631100000000, 0.0045074600000000, 0.0002944200000000 ] - [ 0.0033880300000000, -0.0013207000000000, -0.0030483700000000 ] - [ 0.0005270800000000, 0.0013783900000000, -0.0008191000000000 ] - [ 0.0001214800000000, -0.0007145000000000, -0.0011509700000000 ] - [ 0.0019239500000000, 0.0003454000000000, -0.0027752800000000 ] - [ -0.0001335800000000, 0.0012078800000000, 0.0011902700000000 ] - [ -0.0210515800000000, 0.0122309100000000, 0.0184898000000000 ] - [ 0.0043841900000000, 0.0083393500000000, 0.0078366500000000 ] - [ -0.0023274400000000, -0.0012031900000000, 0.0037400800000000 ] - [ -0.0007191300000000, -0.0003135400000000, 0.0003074800000000 ] - [ -0.0005556400000000, 0.0005424200000000, 0.0001622500000000 ] - [ 0.0002436700000000, 0.0000618500000000, 0.0013080200000000 ] - [ 0.0000179100000000, 0.0002364800000000, 0.0003072700000000 ] - [ -0.0006175600000000, 0.0007841200000000, -0.0001818000000000 ] - [ -0.0009096200000000, -0.0009021200000000, -0.0006399900000000 ] - [ -0.0035140300000000, 0.0001367300000000, -0.0039365800000000 ] - [ -0.0005435200000000, 0.0003021700000000, -0.0001483400000000 ] - [ 0.0011492600000000, 0.0000270000000000, -0.0011816500000000 ] - [ 0.0008819200000000, 0.0002654400000000, -0.0007868300000000 ] - [ 0.0007245000000000, -0.0000702000000000, -0.0008858000000000 ] - [ 0.0037755800000000, -0.0004196100000000, -0.0025753200000000 ] - [ -0.0002588200000000, 0.0000274700000000, -0.0002824100000000 ] - [ -0.0004595100000000, 0.0002683700000000, -0.0004476300000000 ] - [ -0.0005592900000000, -0.0001193100000000, 0.0002744300000000 ] - [ 0.0053644200000000, 0.0009520500000000, -0.0069476200000000 ] - [ 0.0009298200000000, -0.0000025600000000, 0.0002740400000000 ] - [ 0.0017940200000000, 0.0004007200000000, 0.0004598800000000 ] - [ -0.0017265100000000, 0.0000386700000000, -0.0002021500000000 ] - [ -0.0009083200000000, -0.0000552400000000, 0.0004164400000000 ] - [ -0.0357962500000000, 0.0027782100000000, 0.0790487900000000 ] - [ -0.0008466200000000, 0.0004720800000000, 0.0006179300000000 ] - [ 0.0005544500000000, 0.0009423500000000, -0.0013088800000000 ] - [ 0.0005296100000000, -0.0005139400000000, -0.0006166400000000 ] - [ 0.0023821500000000, -0.0003213500000000, 0.0015583700000000 ] - [ 0.0004746500000000, 0.0004497300000000, 0.0002899600000000 ] - [ -0.0007192100000000, 0.0008468100000000, 0.0013301000000000 ] - [ -0.0007690800000000, -0.0006244400000000, 0.0006114300000000 ] - [ 0.0002295000000000, 0.0005226200000000, -0.0000974200000000 ] - [ -0.0059730900000000, -0.0049964500000000, 0.0048725700000000 ] - [ -0.0000986400000000, 0.0003470700000000, 0.0002033600000000 ] - [ 0.0000087300000000, 0.0000258800000000, 0.0002025400000000 ] - [ -0.0003257700000000, -0.0002116400000000, 0.0004340300000000 ] - [ -0.0007713300000000, -0.0002867700000000, 0.0004022000000000 ] - [ -0.0004537900000000, 0.0002202500000000, 0.0003326600000000 ] - [ -0.0018864000000000, 0.0004704000000000, 0.0008306100000000 ] - [ 0.0005818900000000, 0.0000042500000000, -0.0009109000000000 ] - [ 0.0037828300000000, -0.0076225900000000, 0.0117809900000000 ] - [ -0.0006183900000000, 0.0003266700000000, 0.0001131700000000 ] - [ -0.0005690800000000, -0.0002192900000000, 0.0001225500000000 ] - [ -0.0016776000000000, 0.0022267100000000, 0.0011250500000000 ] - [ -0.0002072500000000, -0.0017968300000000, 0.0003662100000000 ] - [ 0.0006280100000000, -0.0017339500000000, -0.0024634200000000 ] - [ 0.0032256500000000, -0.0029419500000000, -0.0049188200000000 ] - [ -0.0005791600000000, 0.0006162400000000, 0.0006990100000000 ] - [ -0.0020822400000000, 0.0002664800000000, 0.0017537700000000 ] - [ 0.0000437000000000, -0.0003658000000000, -0.0003487800000000 ] - [ 0.0000266700000000, -0.0002929800000000, -0.0000871700000000 ] - [ -0.0022016300000000, -0.0007704500000000, 0.0011935600000000 ] - [ -0.0007448300000000, -0.0007541300000000, 0.0001938600000000 ] - [ -0.0000725900000000, -0.0000608900000000, 0.0003820100000000 ] - [ -0.0002224900000000, -0.0001608700000000, 0.0008201500000000 ] - [ 0.0514387200000000, -0.0006464300000000, -0.1714422700000000 ] - [ 0.0005810600000000, -0.0001545600000000, -0.0004142400000000 ] - [ -0.0029370000000000, 0.0000909500000000, -0.0012050000000000 ] - [ -0.0005457700000000, -0.0002515700000000, -0.0002359200000000 ] - [ -0.0014191200000000, 0.0013170700000000, 0.0024559400000000 ] - [ 0.0003466700000000, -0.0005968000000000, 0.0002584400000000 ] - [ -0.0002611400000000, 0.0003787200000000, 0.0003381800000000 ] - [ -0.0016799500000000, -0.0022059200000000, 0.0035500700000000 ] - [ -0.0004987900000000, 0.0003872400000000, -0.0005642400000000 ] - [ -0.0016709500000000, -0.0010408500000000, -0.0008779000000000 ] - [ -0.0008775100000000, -0.0001808600000000, 0.0009489400000000 ] - [ -0.0051814200000000, 0.0009465300000000, 0.0040932500000000 ] - [ -0.0011568600000000, -0.0025224700000000, 0.0001767500000000 ] - [ -0.0008248400000000, 0.0028676200000000, -0.0013016500000000 ] - [ 0.0000116500000000, -0.0003488700000000, 0.0000770800000000 ] - [ 0.0008380100000000, 0.0009715000000000, 0.0009535200000000 ] - [ 0.0000131800000000, -0.0000879800000000, 0.0002721300000000 ] - [ -0.0000027300000000, 0.0002174000000000, 0.0001902100000000 ] - [ 0.0001914300000000, -0.0006536800000000, -0.0002191700000000 ] - [ -0.0136765800000000, 0.0212819200000000, 0.0376758300000000 ] - [ -0.0026754200000000, -0.0018972400000000, -0.0021577000000000 ] - [ 0.0004636300000000, -0.0007182800000000, -0.0001870400000000 ] - [ 0.0016850000000000, -0.0005587500000000, 0.0009664900000000 ] - [ 0.0004411600000000, 0.0000374000000000, -0.0000220800000000 ] - [ -0.0004817000000000, -0.0000984400000000, 0.0008934900000000 ] - [ -0.0003211900000000, 0.0001400800000000, 0.0004643400000000 ] - [ 0.0001546400000000, -0.0001762200000000, -0.0002720500000000 ] - [ -0.0011110200000000, 0.0028923100000000, -0.0058965500000000 ] - [ 0.0002654900000000, -0.0003554600000000, -0.0000026500000000 ] - [ 0.0001905700000000, 0.0002409800000000, -0.0001450900000000 ] - [ -0.0005457700000000, 0.0003062200000000, 0.0004738500000000 ] - [ -0.0003541300000000, -0.0000758500000000, 0.0002207900000000 ] - [ 0.0009948500000000, 0.0000122500000000, -0.0004082500000000 ] - [ 0.0004548700000000, -0.0001074300000000, -0.0002134200000000 ] - [ -0.0061051700000000, -0.0241042400000000, 0.0221370700000000 ] - [ 0.0003577600000000, -0.0003110100000000, -0.0011873600000000 ] - [ 0.0002602700000000, -0.0003315600000000, -0.0001689600000000 ] - [ 0.0005331100000000, 0.0001249800000000, -0.0002726600000000 ] - [ 0.0127945700000000, -0.0013016400000000, 0.0058398600000000 ] - [ 0.0003534800000000, -0.0002491900000000, -0.0001674300000000 ] - [ 0.0000692000000000, 0.0001205500000000, 0.0005166300000000 ] - [ 0.0001273000000000, 0.0000633100000000, 0.0005687800000000 ] - [ -0.0001920600000000, 0.0001890000000000, -0.0003851600000000 ] - [ -0.0003872600000000, -0.0000448000000000, -0.0005573800000000 ] - [ 0.0005292700000000, -0.0007845000000000, 0.0005761800000000 ] - [ 0.0003926400000000, 0.0003961200000000, 0.0006878200000000 ] - [ 0.0004731800000000, -0.0006117000000000, 0.0013524100000000 ] - [ -0.0001748800000000, 0.0000591700000000, 0.0001037800000000 ] - [ -0.0013902200000000, -0.0002228100000000, -0.0005386300000000 ] - [ -0.0000580600000000, -0.0002380900000000, 0.0000237100000000 ] - [ 0.0009981700000000, 0.0001996600000000, 0.0000763500000000 ] - [ 0.0005194500000000, -0.0001506100000000, -0.0000825800000000 ] - [ 0.0000909500000000, 0.0003041700000000, -0.0002492400000000 ] - [ 0.0002061400000000, -0.0001917800000000, -0.0000491300000000 ]- atom: 83 displacement: [ 0.0066066504307377, 0.0000000000000000, -0.0075068082489187 ] forces: - [ -0.0020748900000000, 0.0007638500000000, -0.0015602900000000 ] - [ -0.0000656500000000, -0.0001994400000000, -0.0002542800000000 ] - [ -0.0011513200000000, -0.0004704700000000, 0.0015205700000000 ] - [ -0.0003042100000000, 0.0003051000000000, 0.0004609800000000 ] - [ -0.0004916400000000, 0.0000782700000000, 0.0005812500000000 ] - [ -0.0000619400000000, -0.0001124000000000, 0.0001981800000000 ] - [ 0.0016200900000000, 0.0022738600000000, 0.0011083800000000 ] - [ 0.0003327100000000, -0.0011011100000000, -0.0001408800000000 ] - [ -0.0005480200000000, -0.0002967600000000, 0.0000373900000000 ] - [ -0.0005221600000000, 0.0003235700000000, 0.0000648100000000 ] - [ 0.0004082700000000, -0.0000227900000000, -0.0000896000000000 ] - [ 0.0014438800000000, 0.0000580400000000, 0.0007866800000000 ] - [ 0.0012271900000000, -0.0006111900000000, -0.0006987200000000 ] - [ 0.0011485800000000, 0.0003551000000000, -0.0015436200000000 ] - [ -0.0003501800000000, -0.0001401000000000, 0.0003032300000000 ] - [ -0.0005255800000000, 0.0001805900000000, 0.0009786600000000 ] - [ -0.0001841800000000, -0.0000226900000000, 0.0000659100000000 ] - [ -0.0006244100000000, 0.0005626500000000, 0.0002255500000000 ] - [ -0.0005923100000000, -0.0020173800000000, 0.0010110200000000 ] - [ -0.0153466100000000, 0.0039120500000000, 0.0019294800000000 ] - [ -0.0009927600000000, 0.0025809600000000, -0.0000661800000000 ] - [ -0.0046186500000000, -0.0044943400000000, 0.0000753200000000 ] - [ -0.0033888800000000, 0.0016035500000000, 0.0030372200000000 ] - [ -0.0005291700000000, -0.0010913800000000, 0.0008171600000000 ] - [ -0.0005675500000000, 0.0007162400000000, 0.0007885200000000 ] - [ -0.0023755900000000, -0.0003372800000000, 0.0024123000000000 ] - [ 0.0006561100000000, -0.0010307800000000, -0.0013443400000000 ] - [ 0.0208616300000000, -0.0113674600000000, -0.0190021600000000 ] - [ -0.0044119300000000, -0.0082468800000000, -0.0079151100000000 ] - [ 0.0023616200000000, 0.0012679700000000, -0.0038010200000000 ] - [ 0.0001963100000000, 0.0005017000000000, -0.0001530100000000 ] - [ 0.0000319000000000, -0.0003556100000000, -0.0000075500000000 ] - [ 0.0002185600000000, -0.0000431900000000, -0.0009210700000000 ] - [ 0.0004358700000000, -0.0002152800000000, 0.0000733300000000 ] - [ 0.0006212600000000, -0.0005061000000000, 0.0001872300000000 ] - [ 0.0009173400000000, 0.0011880000000000, 0.0006512800000000 ] - [ 0.0030739500000000, -0.0001349500000000, 0.0035889100000000 ] - [ 0.0000942100000000, -0.0002813500000000, -0.0002305200000000 ] - [ -0.0006226800000000, 0.0001629500000000, 0.0010304300000000 ] - [ -0.0003554900000000, -0.0000770600000000, 0.0006382200000000 ] - [ -0.0009968200000000, -0.0000086600000000, 0.0010140000000000 ] - [ -0.0040538200000000, 0.0003464700000000, 0.0027023200000000 ] - [ -0.0005159300000000, 0.0001425400000000, 0.0004331800000000 ] - [ -0.0003144600000000, -0.0000962300000000, 0.0005985100000000 ] - [ 0.0008261000000000, 0.0000408100000000, -0.0004040600000000 ] - [ -0.0051354400000000, -0.0010169200000000, 0.0068191700000000 ] - [ -0.0001536900000000, 0.0001696700000000, -0.0004212400000000 ] - [ -0.0010187100000000, -0.0002294600000000, -0.0006060200000000 ] - [ 0.0014598000000000, -0.0001118700000000, 0.0003397600000000 ] - [ 0.0006402300000000, -0.0000205900000000, -0.0002848100000000 ] - [ 0.0345967900000000, -0.0019893200000000, -0.0848160600000000 ] - [ 0.0000663700000000, -0.0003124000000000, -0.0004730900000000 ] - [ -0.0002796300000000, -0.0010207700000000, 0.0011848300000000 ] - [ -0.0002561700000000, 0.0004415700000000, 0.0004906200000000 ] - [ -0.0015705800000000, 0.0005648300000000, -0.0017637100000000 ] - [ 0.0003069200000000, -0.0002920000000000, -0.0004450600000000 ] - [ 0.0003874300000000, -0.0009249900000000, -0.0011179900000000 ] - [ 0.0004365800000000, 0.0005413800000000, -0.0004039400000000 ] - [ -0.0002539900000000, -0.0003120400000000, 0.0001276500000000 ] - [ 0.0059112500000000, 0.0051528900000000, -0.0047904900000000 ] - [ -0.0000181400000000, -0.0000105700000000, -0.0002074800000000 ] - [ -0.0001248300000000, 0.0003096200000000, -0.0002064700000000 ] - [ 0.0001373400000000, -0.0004446300000000, 0.0004436700000000 ] - [ 0.0005815600000000, -0.0003729700000000, 0.0004727400000000 ] - [ 0.0004828800000000, -0.0000125100000000, -0.0003617000000000 ] - [ 0.0019181500000000, -0.0002650100000000, -0.0008557400000000 ] - [ -0.0003979800000000, 0.0001785600000000, 0.0007799500000000 ] - [ -0.0035211800000000, 0.0077503300000000, -0.0118107300000000 ] - [ 0.0007466200000000, 0.0000131900000000, -0.0001132500000000 ] - [ 0.0006917200000000, 0.0005549000000000, -0.0001206300000000 ] - [ 0.0020057200000000, -0.0022993000000000, -0.0013289000000000 ] - [ 0.0005426600000000, 0.0017077200000000, -0.0005729500000000 ] - [ -0.0009909300000000, 0.0016930500000000, 0.0025443000000000 ] - [ -0.0036177800000000, 0.0029656500000000, 0.0050066800000000 ] - [ 0.0009569900000000, -0.0005701700000000, -0.0007487000000000 ] - [ 0.0024592800000000, -0.0002293300000000, -0.0018080000000000 ] - [ 0.0001419800000000, -0.0002923600000000, -0.0005285300000000 ] - [ 0.0001599200000000, -0.0003663600000000, -0.0007894500000000 ] - [ 0.0017656400000000, 0.0002762700000000, -0.0015773200000000 ] - [ 0.0003096700000000, 0.0002614900000000, -0.0005774400000000 ] - [ 0.0001525500000000, -0.0001594300000000, -0.0004535000000000 ] - [ 0.0003021200000000, -0.0000601200000000, -0.0008896600000000 ] - [ -0.0494534500000000, -0.0003208100000000, 0.1788108100000000 ] - [ 0.0000588700000000, 0.0004446600000000, 0.0006260200000000 ] - [ 0.0023095600000000, 0.0001938700000000, 0.0010329800000000 ] - [ -0.0000877400000000, 0.0005488300000000, 0.0000339800000000 ] - [ 0.0018657600000000, -0.0018189300000000, -0.0020705600000000 ] - [ 0.0000903700000000, 0.0001057500000000, 0.0001266200000000 ] - [ -0.0001179400000000, -0.0003355300000000, -0.0002847700000000 ] - [ 0.0013159800000000, 0.0022489900000000, -0.0035048600000000 ] - [ 0.0004174100000000, -0.0006061800000000, 0.0006349200000000 ] - [ 0.0015912500000000, 0.0008174100000000, 0.0009511900000000 ] - [ 0.0006978500000000, 0.0003626200000000, -0.0008281900000000 ] - [ 0.0050243100000000, -0.0007692000000000, -0.0039836600000000 ] - [ 0.0015318500000000, 0.0024786500000000, -0.0002372000000000 ] - [ 0.0011926900000000, -0.0029292400000000, 0.0012586600000000 ] - [ -0.0003468200000000, 0.0002598300000000, 0.0001195000000000 ] - [ -0.0011765700000000, -0.0010543200000000, -0.0007529500000000 ] - [ -0.0000453500000000, 0.0002969400000000, -0.0002477900000000 ] - [ -0.0000309700000000, -0.0000141900000000, -0.0001611300000000 ] - [ -0.0003179700000000, 0.0009983200000000, 0.0002208400000000 ] - [ 0.0136187800000000, -0.0213948100000000, -0.0383954200000000 ] - [ 0.0024897800000000, 0.0012185200000000, 0.0030693800000000 ] - [ -0.0006648700000000, 0.0000794700000000, 0.0010684000000000 ] - [ -0.0016588000000000, 0.0007656900000000, -0.0010045300000000 ] - [ -0.0004156500000000, 0.0001710400000000, -0.0000106400000000 ] - [ 0.0006580200000000, 0.0002787100000000, -0.0010120200000000 ] - [ 0.0005000300000000, 0.0000384000000000, -0.0005853200000000 ] - [ -0.0000387800000000, 0.0005167300000000, 0.0002764800000000 ] - [ 0.0011222900000000, -0.0025447500000000, 0.0059566300000000 ] - [ 0.0000642600000000, 0.0002716300000000, -0.0001970300000000 ] - [ 0.0001405200000000, -0.0003244000000000, -0.0000720500000000 ] - [ 0.0001793100000000, -0.0003617800000000, -0.0004092800000000 ] - [ -0.0000111600000000, 0.0000263600000000, -0.0001539100000000 ] - [ -0.0006222700000000, 0.0000247700000000, 0.0003518600000000 ] - [ -0.0000731900000000, 0.0001465200000000, 0.0001544400000000 ] - [ 0.0063279200000000, 0.0238676500000000, -0.0234187900000000 ] - [ -0.0001650100000000, -0.0003365900000000, 0.0003222000000000 ] - [ -0.0006865300000000, -0.0001523100000000, -0.0002169100000000 ] - [ -0.0009767900000000, -0.0006216700000000, -0.0001158800000000 ] - [ -0.0127845000000000, 0.0010530500000000, -0.0058374700000000 ] - [ -0.0002690700000000, 0.0000307600000000, 0.0000974800000000 ] - [ 0.0005615700000000, 0.0001748000000000, -0.0003129900000000 ] - [ 0.0005061000000000, 0.0002277500000000, -0.0003616800000000 ] - [ -0.0004487500000000, 0.0000966500000000, 0.0001728700000000 ] - [ -0.0002529200000000, 0.0003282300000000, 0.0003456200000000 ] - [ -0.0001088000000000, 0.0003020400000000, -0.0001961600000000 ] - [ 0.0000444100000000, -0.0008958200000000, -0.0003081100000000 ] - [ -0.0008614900000000, 0.0006520500000000, -0.0012984300000000 ] - [ -0.0002046100000000, -0.0000182600000000, -0.0000517200000000 ] - [ 0.0012840100000000, -0.0000160700000000, 0.0006017300000000 ] - [ -0.0000270900000000, 0.0000218900000000, 0.0000535300000000 ] - [ -0.0011815600000000, -0.0000196400000000, 0.0000520700000000 ] - [ -0.0007023900000000, 0.0003313000000000, 0.0002114700000000 ] - [ 0.0002696500000000, -0.0003475100000000, 0.0001783900000000 ] - [ 0.0001586300000000, 0.0001507700000000, -0.0000227600000000 ]