# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/65957189-ed61-4ba9-ba62-8369d12b84ab/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 Li2TiS2O / P2_1/c (14) / materials id 769287](https://mdr.nims.go.jp/datasets/61ce0afb-9680-4307-86da-8537f6b16462) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 3 ]primitive_cell: lattice: - [ 6.315041770000000, 0.000000000000000, -0.013423350000000 ] # a - [ 0.000000000000000, 12.413598020000000, 0.000000000000000 ] # b - [ -2.236130650000000, 0.000000000000000, 5.002503169999999 ] # c points: - symbol: Li # 1 coordinates: [ 0.203406730000000, 0.553605040000000, 0.823269020000000 ] mass: 6.941000 - symbol: Li # 2 coordinates: [ 0.400040210000000, 0.140288280000000, 0.949398890000000 ] mass: 6.941000 - symbol: Li # 3 coordinates: [ 0.203406730000000, 0.946394960000000, 0.323269020000000 ] mass: 6.941000 - symbol: Li # 4 coordinates: [ 0.400040210000000, 0.359711720000000, 0.449398890000000 ] mass: 6.941000 - symbol: Li # 5 coordinates: [ 0.599959790000000, 0.640288280000000, 0.550601110000000 ] mass: 6.941000 - symbol: Li # 6 coordinates: [ 0.796593270000000, 0.053605040000000, 0.676730980000000 ] mass: 6.941000 - symbol: Li # 7 coordinates: [ 0.599959790000000, 0.859711720000000, 0.050601110000000 ] mass: 6.941000 - symbol: Li # 8 coordinates: [ 0.796593270000000, 0.446394960000000, 0.176730980000000 ] mass: 6.941000 - symbol: Ti # 9 coordinates: [ 0.020107290000000, 0.319230940000000, 0.866126580000000 ] mass: 47.867000 - symbol: Ti # 10 coordinates: [ 0.020107290000000, 0.180769060000000, 0.366126580000000 ] mass: 47.867000 - symbol: Ti # 11 coordinates: [ 0.979892710000000, 0.819230940000000, 0.633873420000000 ] mass: 47.867000 - symbol: Ti # 12 coordinates: [ 0.979892710000000, 0.680769060000000, 0.133873420000000 ] mass: 47.867000 - symbol: S # 13 coordinates: [ 0.209916290000000, 0.951409200000000, 0.865635410000000 ] mass: 32.065000 - symbol: S # 14 coordinates: [ 0.387968050000000, 0.357584670000000, 0.955443030000000 ] mass: 32.065000 - symbol: S # 15 coordinates: [ 0.209916290000000, 0.548590800000000, 0.365635410000000 ] mass: 32.065000 - symbol: S # 16 coordinates: [ 0.387968050000000, 0.142415330000000, 0.455443030000000 ] mass: 32.065000 - symbol: S # 17 coordinates: [ 0.612031950000000, 0.857584670000000, 0.544556970000000 ] mass: 32.065000 - symbol: S # 18 coordinates: [ 0.790083710000000, 0.451409200000000, 0.634364590000000 ] mass: 32.065000 - symbol: S # 19 coordinates: [ 0.612031950000000, 0.642415330000000, 0.044556970000000 ] mass: 32.065000 - symbol: S # 20 coordinates: [ 0.790083710000000, 0.048590800000000, 0.134364590000000 ] mass: 32.065000 - symbol: O # 21 coordinates: [ 0.025706410000000, 0.691724900000000, 0.821851010000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.025706410000000, 0.808275100000000, 0.321851010000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.974293590000000, 0.191724900000000, 0.678148990000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.974293590000000, 0.308275100000000, 0.178148990000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.158502682195220, 0.000000000000000, 0.070851070697861 ] # a* - [ 0.000000000000000, 0.080556821510481, 0.000000000000000 ] # b* - [ 0.000425314468925, 0.000000000000000, 0.200090039866952 ] # c*unit_cell: lattice: - [ 6.315041770000000, 0.000000000000000, -0.013423350000000 ] # a - [ 0.000000000000000, 12.413598020000000, 0.000000000000000 ] # b - [ -2.236130650000000, 0.000000000000000, 5.002503170000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.203406730000000, 0.553605040000000, 0.823269020000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.400040210000000, 0.140288280000000, 0.949398890000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.203406730000000, 0.946394960000000, 0.323269020000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.400040210000000, 0.359711720000000, 0.449398890000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 5 coordinates: [ 0.599959790000000, 0.640288280000000, 0.550601110000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.796593270000000, 0.053605040000000, 0.676730980000000 ] mass: 6.941000 reduced_to: 6 - symbol: Li # 7 coordinates: [ 0.599959790000000, 0.859711720000000, 0.050601110000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 8 coordinates: [ 0.796593270000000, 0.446394960000000, 0.176730980000000 ] mass: 6.941000 reduced_to: 8 - symbol: Ti # 9 coordinates: [ 0.020107290000000, 0.319230940000000, 0.866126580000000 ] mass: 47.867000 reduced_to: 9 - symbol: Ti # 10 coordinates: [ 0.020107290000000, 0.180769060000000, 0.366126580000000 ] mass: 47.867000 reduced_to: 10 - symbol: Ti # 11 coordinates: [ 0.979892710000000, 0.819230940000000, 0.633873420000000 ] mass: 47.867000 reduced_to: 11 - symbol: Ti # 12 coordinates: [ 0.979892710000000, 0.680769060000000, 0.133873420000000 ] mass: 47.867000 reduced_to: 12 - symbol: S # 13 coordinates: [ 0.209916290000000, 0.951409200000000, 0.865635410000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 14 coordinates: [ 0.387968050000000, 0.357584670000000, 0.955443030000000 ] mass: 32.065000 reduced_to: 14 - symbol: S # 15 coordinates: [ 0.209916290000000, 0.548590800000000, 0.365635410000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 16 coordinates: [ 0.387968050000000, 0.142415330000000, 0.455443030000000 ] mass: 32.065000 reduced_to: 16 - symbol: S # 17 coordinates: [ 0.612031950000000, 0.857584670000000, 0.544556970000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 18 coordinates: [ 0.790083710000000, 0.451409200000000, 0.634364590000000 ] mass: 32.065000 reduced_to: 18 - symbol: S # 19 coordinates: [ 0.612031950000000, 0.642415330000000, 0.044556970000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 20 coordinates: [ 0.790083710000000, 0.048590800000000, 0.134364590000000 ] mass: 32.065000 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.025706410000000, 0.691724900000000, 0.821851010000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.025706410000000, 0.808275100000000, 0.321851010000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.974293590000000, 0.191724900000000, 0.678148990000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.974293590000000, 0.308275100000000, 0.178148990000000 ] mass: 15.999400 reduced_to: 24supercell: lattice: - [ 12.630083539999999, 0.000000000000000, -0.026846700000000 ] # a - [ 0.000000000000000, 12.413598020000000, 0.000000000000000 ] # b - [ -6.708391950000001, 0.000000000000000, 15.007509509999998 ] # c points: - symbol: Li # 1 coordinates: [ 0.101703365000000, 0.553605040000000, 0.274423006666667 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.601703365000000, 0.553605040000000, 0.274423006666667 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 3 coordinates: [ 0.101703365000000, 0.553605040000000, 0.607756340000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 4 coordinates: [ 0.601703365000000, 0.553605040000000, 0.607756340000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 5 coordinates: [ 0.101703365000000, 0.553605040000000, 0.941089673333333 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 6 coordinates: [ 0.601703365000000, 0.553605040000000, 0.941089673333333 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 7 coordinates: [ 0.200020105000000, 0.140288280000000, 0.316466296666667 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 8 coordinates: [ 0.700020105000000, 0.140288280000000, 0.316466296666667 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 9 coordinates: [ 0.200020105000000, 0.140288280000000, 0.649799630000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 10 coordinates: [ 0.700020105000000, 0.140288280000000, 0.649799630000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 11 coordinates: [ 0.200020105000000, 0.140288280000000, 0.983132963333333 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 12 coordinates: [ 0.700020105000000, 0.140288280000000, 0.983132963333333 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 13 coordinates: [ 0.101703365000000, 0.946394960000000, 0.107756340000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 14 coordinates: [ 0.601703365000000, 0.946394960000000, 0.107756340000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 15 coordinates: [ 0.101703365000000, 0.946394960000000, 0.441089673333333 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 16 coordinates: [ 0.601703365000000, 0.946394960000000, 0.441089673333333 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 17 coordinates: [ 0.101703365000000, 0.946394960000000, 0.774423006666667 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 18 coordinates: [ 0.601703365000000, 0.946394960000000, 0.774423006666667 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 19 coordinates: [ 0.200020105000000, 0.359711720000000, 0.149799630000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 20 coordinates: [ 0.700020105000000, 0.359711720000000, 0.149799630000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 21 coordinates: [ 0.200020105000000, 0.359711720000000, 0.483132963333333 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 22 coordinates: [ 0.700020105000000, 0.359711720000000, 0.483132963333333 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 23 coordinates: [ 0.200020105000000, 0.359711720000000, 0.816466296666667 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 24 coordinates: [ 0.700020105000000, 0.359711720000000, 0.816466296666667 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 25 coordinates: [ 0.299979895000000, 0.640288280000000, 0.183533703333333 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 26 coordinates: [ 0.799979895000000, 0.640288280000000, 0.183533703333333 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 27 coordinates: [ 0.299979895000000, 0.640288280000000, 0.516867036666667 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 28 coordinates: [ 0.799979895000000, 0.640288280000000, 0.516867036666667 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 29 coordinates: [ 0.299979895000000, 0.640288280000000, 0.850200370000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 30 coordinates: [ 0.799979895000000, 0.640288280000000, 0.850200370000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 31 coordinates: [ 0.398296635000000, 0.053605040000000, 0.225576993333333 ] mass: 6.941000 reduced_to: 31 - symbol: Li # 32 coordinates: [ 0.898296635000000, 0.053605040000000, 0.225576993333333 ] mass: 6.941000 reduced_to: 31 - symbol: Li # 33 coordinates: [ 0.398296635000000, 0.053605040000000, 0.558910326666667 ] mass: 6.941000 reduced_to: 31 - symbol: Li # 34 coordinates: [ 0.898296635000000, 0.053605040000000, 0.558910326666667 ] mass: 6.941000 reduced_to: 31 - symbol: Li # 35 coordinates: [ 0.398296635000000, 0.053605040000000, 0.892243660000000 ] mass: 6.941000 reduced_to: 31 - symbol: Li # 36 coordinates: [ 0.898296635000000, 0.053605040000000, 0.892243660000000 ] mass: 6.941000 reduced_to: 31 - symbol: Li # 37 coordinates: [ 0.299979895000000, 0.859711720000000, 0.016867036666667 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 38 coordinates: [ 0.799979895000000, 0.859711720000000, 0.016867036666667 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 39 coordinates: [ 0.299979895000000, 0.859711720000000, 0.350200370000000 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 40 coordinates: [ 0.799979895000000, 0.859711720000000, 0.350200370000000 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 41 coordinates: [ 0.299979895000000, 0.859711720000000, 0.683533703333333 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 42 coordinates: [ 0.799979895000000, 0.859711720000000, 0.683533703333333 ] mass: 6.941000 reduced_to: 37 - symbol: Li # 43 coordinates: [ 0.398296635000000, 0.446394960000000, 0.058910326666667 ] mass: 6.941000 reduced_to: 43 - symbol: Li # 44 coordinates: [ 0.898296635000000, 0.446394960000000, 0.058910326666667 ] mass: 6.941000 reduced_to: 43 - symbol: Li # 45 coordinates: [ 0.398296635000000, 0.446394960000000, 0.392243660000000 ] mass: 6.941000 reduced_to: 43 - symbol: Li # 46 coordinates: [ 0.898296635000000, 0.446394960000000, 0.392243660000000 ] mass: 6.941000 reduced_to: 43 - symbol: Li # 47 coordinates: [ 0.398296635000000, 0.446394960000000, 0.725576993333333 ] mass: 6.941000 reduced_to: 43 - symbol: Li # 48 coordinates: [ 0.898296635000000, 0.446394960000000, 0.725576993333333 ] mass: 6.941000 reduced_to: 43 - symbol: Ti # 49 coordinates: [ 0.010053645000000, 0.319230940000000, 0.288708860000000 ] mass: 47.867000 reduced_to: 49 - symbol: Ti # 50 coordinates: [ 0.510053645000000, 0.319230940000000, 0.288708860000000 ] mass: 47.867000 reduced_to: 49 - symbol: Ti # 51 coordinates: [ 0.010053645000000, 0.319230940000000, 0.622042193333333 ] mass: 47.867000 reduced_to: 49 - symbol: Ti # 52 coordinates: [ 0.510053645000000, 0.319230940000000, 0.622042193333333 ] mass: 47.867000 reduced_to: 49 - symbol: Ti # 53 coordinates: [ 0.010053645000000, 0.319230940000000, 0.955375526666667 ] mass: 47.867000 reduced_to: 49 - symbol: Ti # 54 coordinates: [ 0.510053645000000, 0.319230940000000, 0.955375526666667 ] mass: 47.867000 reduced_to: 49 - symbol: Ti # 55 coordinates: [ 0.010053645000000, 0.180769060000000, 0.122042193333333 ] mass: 47.867000 reduced_to: 55 - symbol: Ti # 56 coordinates: [ 0.510053645000000, 0.180769060000000, 0.122042193333333 ] mass: 47.867000 reduced_to: 55 - symbol: Ti # 57 coordinates: [ 0.010053645000000, 0.180769060000000, 0.455375526666667 ] mass: 47.867000 reduced_to: 55 - symbol: Ti # 58 coordinates: [ 0.510053645000000, 0.180769060000000, 0.455375526666667 ] mass: 47.867000 reduced_to: 55 - symbol: Ti # 59 coordinates: [ 0.010053645000000, 0.180769060000000, 0.788708860000000 ] mass: 47.867000 reduced_to: 55 - symbol: Ti # 60 coordinates: [ 0.510053645000000, 0.180769060000000, 0.788708860000000 ] mass: 47.867000 reduced_to: 55 - symbol: Ti # 61 coordinates: [ 0.489946355000000, 0.819230940000000, 0.211291140000000 ] mass: 47.867000 reduced_to: 61 - symbol: Ti # 62 coordinates: [ 0.989946355000000, 0.819230940000000, 0.211291140000000 ] mass: 47.867000 reduced_to: 61 - symbol: Ti # 63 coordinates: [ 0.489946355000000, 0.819230940000000, 0.544624473333333 ] mass: 47.867000 reduced_to: 61 - symbol: Ti # 64 coordinates: [ 0.989946355000000, 0.819230940000000, 0.544624473333333 ] mass: 47.867000 reduced_to: 61 - symbol: Ti # 65 coordinates: [ 0.489946355000000, 0.819230940000000, 0.877957806666667 ] mass: 47.867000 reduced_to: 61 - symbol: Ti # 66 coordinates: [ 0.989946355000000, 0.819230940000000, 0.877957806666667 ] mass: 47.867000 reduced_to: 61 - symbol: Ti # 67 coordinates: [ 0.489946355000000, 0.680769060000000, 0.044624473333333 ] mass: 47.867000 reduced_to: 67 - symbol: Ti # 68 coordinates: [ 0.989946355000000, 0.680769060000000, 0.044624473333333 ] mass: 47.867000 reduced_to: 67 - symbol: Ti # 69 coordinates: [ 0.489946355000000, 0.680769060000000, 0.377957806666667 ] mass: 47.867000 reduced_to: 67 - symbol: Ti # 70 coordinates: [ 0.989946355000000, 0.680769060000000, 0.377957806666667 ] mass: 47.867000 reduced_to: 67 - symbol: Ti # 71 coordinates: [ 0.489946355000000, 0.680769060000000, 0.711291140000000 ] mass: 47.867000 reduced_to: 67 - symbol: Ti # 72 coordinates: [ 0.989946355000000, 0.680769060000000, 0.711291140000000 ] mass: 47.867000 reduced_to: 67 - symbol: S # 73 coordinates: [ 0.104958145000000, 0.951409200000000, 0.288545136666667 ] mass: 32.065000 reduced_to: 73 - symbol: S # 74 coordinates: [ 0.604958145000000, 0.951409200000000, 0.288545136666667 ] mass: 32.065000 reduced_to: 73 - symbol: S # 75 coordinates: [ 0.104958145000000, 0.951409200000000, 0.621878470000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 76 coordinates: [ 0.604958145000000, 0.951409200000000, 0.621878470000000 ] mass: 32.065000 reduced_to: 73 - symbol: S # 77 coordinates: [ 0.104958145000000, 0.951409200000000, 0.955211803333333 ] mass: 32.065000 reduced_to: 73 - symbol: S # 78 coordinates: [ 0.604958145000000, 0.951409200000000, 0.955211803333333 ] mass: 32.065000 reduced_to: 73 - symbol: S # 79 coordinates: [ 0.193984025000000, 0.357584670000000, 0.318481010000000 ] mass: 32.065000 reduced_to: 79 - symbol: S # 80 coordinates: [ 0.693984025000000, 0.357584670000000, 0.318481010000000 ] mass: 32.065000 reduced_to: 79 - symbol: S # 81 coordinates: [ 0.193984025000000, 0.357584670000000, 0.651814343333333 ] mass: 32.065000 reduced_to: 79 - symbol: S # 82 coordinates: [ 0.693984025000000, 0.357584670000000, 0.651814343333333 ] mass: 32.065000 reduced_to: 79 - symbol: S # 83 coordinates: [ 0.193984025000000, 0.357584670000000, 0.985147676666667 ] mass: 32.065000 reduced_to: 79 - symbol: S # 84 coordinates: [ 0.693984025000000, 0.357584670000000, 0.985147676666667 ] mass: 32.065000 reduced_to: 79 - symbol: S # 85 coordinates: [ 0.104958145000000, 0.548590800000000, 0.121878470000000 ] mass: 32.065000 reduced_to: 85 - symbol: S # 86 coordinates: [ 0.604958145000000, 0.548590800000000, 0.121878470000000 ] mass: 32.065000 reduced_to: 85 - symbol: S # 87 coordinates: [ 0.104958145000000, 0.548590800000000, 0.455211803333333 ] mass: 32.065000 reduced_to: 85 - symbol: S # 88 coordinates: [ 0.604958145000000, 0.548590800000000, 0.455211803333333 ] mass: 32.065000 reduced_to: 85 - symbol: S # 89 coordinates: [ 0.104958145000000, 0.548590800000000, 0.788545136666667 ] mass: 32.065000 reduced_to: 85 - symbol: S # 90 coordinates: [ 0.604958145000000, 0.548590800000000, 0.788545136666667 ] mass: 32.065000 reduced_to: 85 - symbol: S # 91 coordinates: [ 0.193984025000000, 0.142415330000000, 0.151814343333333 ] mass: 32.065000 reduced_to: 91 - symbol: S # 92 coordinates: [ 0.693984025000000, 0.142415330000000, 0.151814343333333 ] mass: 32.065000 reduced_to: 91 - symbol: S # 93 coordinates: [ 0.193984025000000, 0.142415330000000, 0.485147676666667 ] mass: 32.065000 reduced_to: 91 - symbol: S # 94 coordinates: [ 0.693984025000000, 0.142415330000000, 0.485147676666667 ] mass: 32.065000 reduced_to: 91 - symbol: S # 95 coordinates: [ 0.193984025000000, 0.142415330000000, 0.818481010000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 96 coordinates: [ 0.693984025000000, 0.142415330000000, 0.818481010000000 ] mass: 32.065000 reduced_to: 91 - symbol: S # 97 coordinates: [ 0.306015975000000, 0.857584670000000, 0.181518990000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 98 coordinates: [ 0.806015975000000, 0.857584670000000, 0.181518990000000 ] mass: 32.065000 reduced_to: 97 - symbol: S # 99 coordinates: [ 0.306015975000000, 0.857584670000000, 0.514852323333333 ] mass: 32.065000 reduced_to: 97 - symbol: S # 100 coordinates: [ 0.806015975000000, 0.857584670000000, 0.514852323333333 ] mass: 32.065000 reduced_to: 97 - symbol: S # 101 coordinates: [ 0.306015975000000, 0.857584670000000, 0.848185656666667 ] mass: 32.065000 reduced_to: 97 - symbol: S # 102 coordinates: [ 0.806015975000000, 0.857584670000000, 0.848185656666667 ] mass: 32.065000 reduced_to: 97 - symbol: S # 103 coordinates: [ 0.395041855000000, 0.451409200000000, 0.211454863333333 ] mass: 32.065000 reduced_to: 103 - symbol: S # 104 coordinates: [ 0.895041855000000, 0.451409200000000, 0.211454863333333 ] mass: 32.065000 reduced_to: 103 - symbol: S # 105 coordinates: [ 0.395041855000000, 0.451409200000000, 0.544788196666667 ] mass: 32.065000 reduced_to: 103 - symbol: S # 106 coordinates: [ 0.895041855000000, 0.451409200000000, 0.544788196666667 ] mass: 32.065000 reduced_to: 103 - symbol: S # 107 coordinates: [ 0.395041855000000, 0.451409200000000, 0.878121530000000 ] mass: 32.065000 reduced_to: 103 - symbol: S # 108 coordinates: [ 0.895041855000000, 0.451409200000000, 0.878121530000000 ] mass: 32.065000 reduced_to: 103 - symbol: S # 109 coordinates: [ 0.306015975000000, 0.642415330000000, 0.014852323333333 ] mass: 32.065000 reduced_to: 109 - symbol: S # 110 coordinates: [ 0.806015975000000, 0.642415330000000, 0.014852323333333 ] mass: 32.065000 reduced_to: 109 - symbol: S # 111 coordinates: [ 0.306015975000000, 0.642415330000000, 0.348185656666667 ] mass: 32.065000 reduced_to: 109 - symbol: S # 112 coordinates: [ 0.806015975000000, 0.642415330000000, 0.348185656666667 ] mass: 32.065000 reduced_to: 109 - symbol: S # 113 coordinates: [ 0.306015975000000, 0.642415330000000, 0.681518990000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 114 coordinates: [ 0.806015975000000, 0.642415330000000, 0.681518990000000 ] mass: 32.065000 reduced_to: 109 - symbol: S # 115 coordinates: [ 0.395041855000000, 0.048590800000000, 0.044788196666667 ] mass: 32.065000 reduced_to: 115 - symbol: S # 116 coordinates: [ 0.895041855000000, 0.048590800000000, 0.044788196666667 ] mass: 32.065000 reduced_to: 115 - symbol: S # 117 coordinates: [ 0.395041855000000, 0.048590800000000, 0.378121530000000 ] mass: 32.065000 reduced_to: 115 - symbol: S # 118 coordinates: [ 0.895041855000000, 0.048590800000000, 0.378121530000000 ] mass: 32.065000 reduced_to: 115 - symbol: S # 119 coordinates: [ 0.395041855000000, 0.048590800000000, 0.711454863333333 ] mass: 32.065000 reduced_to: 115 - symbol: S # 120 coordinates: [ 0.895041855000000, 0.048590800000000, 0.711454863333333 ] mass: 32.065000 reduced_to: 115 - symbol: O # 121 coordinates: [ 0.012853205000000, 0.691724900000000, 0.273950336666667 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.512853205000000, 0.691724900000000, 0.273950336666667 ] mass: 15.999400 reduced_to: 121 - symbol: O # 123 coordinates: [ 0.012853205000000, 0.691724900000000, 0.607283670000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 124 coordinates: [ 0.512853205000000, 0.691724900000000, 0.607283670000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 125 coordinates: [ 0.012853205000000, 0.691724900000000, 0.940617003333333 ] mass: 15.999400 reduced_to: 121 - symbol: O # 126 coordinates: [ 0.512853205000000, 0.691724900000000, 0.940617003333333 ] mass: 15.999400 reduced_to: 121 - symbol: O # 127 coordinates: [ 0.012853205000000, 0.808275100000000, 0.107283670000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 128 coordinates: [ 0.512853205000000, 0.808275100000000, 0.107283670000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 129 coordinates: [ 0.012853205000000, 0.808275100000000, 0.440617003333333 ] mass: 15.999400 reduced_to: 127 - symbol: O # 130 coordinates: [ 0.512853205000000, 0.808275100000000, 0.440617003333333 ] mass: 15.999400 reduced_to: 127 - symbol: O # 131 coordinates: [ 0.012853205000000, 0.808275100000000, 0.773950336666667 ] mass: 15.999400 reduced_to: 127 - symbol: O # 132 coordinates: [ 0.512853205000000, 0.808275100000000, 0.773950336666667 ] mass: 15.999400 reduced_to: 127 - symbol: O # 133 coordinates: [ 0.487146795000000, 0.191724900000000, 0.226049663333333 ] mass: 15.999400 reduced_to: 133 - symbol: O # 134 coordinates: [ 0.987146795000000, 0.191724900000000, 0.226049663333333 ] mass: 15.999400 reduced_to: 133 - symbol: O # 135 coordinates: [ 0.487146795000000, 0.191724900000000, 0.559382996666667 ] mass: 15.999400 reduced_to: 133 - symbol: O # 136 coordinates: [ 0.987146795000000, 0.191724900000000, 0.559382996666667 ] mass: 15.999400 reduced_to: 133 - symbol: O # 137 coordinates: [ 0.487146795000000, 0.191724900000000, 0.892716330000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 138 coordinates: [ 0.987146795000000, 0.191724900000000, 0.892716330000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 139 coordinates: [ 0.487146795000000, 0.308275100000000, 0.059382996666667 ] mass: 15.999400 reduced_to: 139 - symbol: O # 140 coordinates: [ 0.987146795000000, 0.308275100000000, 0.059382996666667 ] mass: 15.999400 reduced_to: 139 - symbol: O # 141 coordinates: [ 0.487146795000000, 0.308275100000000, 0.392716330000000 ] mass: 15.999400 reduced_to: 139 - symbol: O # 142 coordinates: [ 0.987146795000000, 0.308275100000000, 0.392716330000000 ] mass: 15.999400 reduced_to: 139 - symbol: O # 143 coordinates: [ 0.487146795000000, 0.308275100000000, 0.726049663333333 ] mass: 15.999400 reduced_to: 139 - symbol: O # 144 coordinates: [ 0.987146795000000, 0.308275100000000, 0.726049663333333 ] mass: 15.999400 reduced_to: 139born_effective_charge:- # 1 (Li) - [ 1.212752670000000, 0.283893540000000, 0.038614750000000 ] - [ 0.140262160000000, 1.246725930000000, 0.037528970000000 ] - [ -0.051005350000000, 0.210070950000000, 1.222244590000000 ]- # 2 (Li) - [ 1.145069140000000, -0.206906050000000, -0.038571530000000 ] - [ 0.050747900000000, 1.286694440000000, 0.014914900000000 ] - [ 0.074189520000000, -0.120886230000000, 1.285899600000000 ]- # 3 (Li) - [ 1.212752670000000, -0.283893540000000, 0.038614750000000 ] - [ -0.140262160000000, 1.246725930000000, -0.037528970000000 ] - [ -0.051005350000000, -0.210070950000000, 1.222244590000000 ]- # 4 (Li) - [ 1.145069140000000, 0.206906050000000, -0.038571530000000 ] - [ -0.050747900000000, 1.286694440000000, -0.014914900000000 ] - [ 0.074189520000000, 0.120886230000000, 1.285899600000000 ]- # 5 (Li) - [ 1.145069140000000, 0.206906050000000, -0.038571530000000 ] - [ -0.050747900000000, 1.286694440000000, -0.014914900000000 ] - [ 0.074189520000000, 0.120886230000000, 1.285899600000000 ]- # 6 (Li) - [ 1.212752670000000, -0.283893540000000, 0.038614750000000 ] - [ -0.140262160000000, 1.246725930000000, -0.037528970000000 ] - [ -0.051005350000000, -0.210070950000000, 1.222244590000000 ]- # 7 (Li) - [ 1.145069140000000, -0.206906050000000, -0.038571530000000 ] - [ 0.050747900000000, 1.286694440000000, 0.014914900000000 ] - [ 0.074189520000000, -0.120886230000000, 1.285899600000000 ]- # 8 (Li) - [ 1.212752670000000, 0.283893540000000, 0.038614750000000 ] - [ 0.140262160000000, 1.246725930000000, 0.037528970000000 ] - [ -0.051005350000000, 0.210070950000000, 1.222244590000000 ]- # 9 (Ti) - [ 3.260790690000000, -0.810023530000000, -0.285188130000000 ] - [ 0.235837490000000, 3.635669600000000, -0.614214130000000 ] - [ -0.113761920000000, 0.404764120000000, 3.579182740000000 ]- # 10 (Ti) - [ 3.260790690000000, 0.810023530000000, -0.285188130000000 ] - [ -0.235837490000000, 3.635669600000001, 0.614214130000000 ] - [ -0.113761920000000, -0.404764120000000, 3.579182740000000 ]- # 11 (Ti) - [ 3.260790690000000, 0.810023530000000, -0.285188130000000 ] - [ -0.235837490000000, 3.635669600000001, 0.614214130000000 ] - [ -0.113761920000000, -0.404764120000000, 3.579182740000000 ]- # 12 (Ti) - [ 3.260790690000000, -0.810023530000000, -0.285188130000000 ] - [ 0.235837490000000, 3.635669600000001, -0.614214130000000 ] - [ -0.113761920000000, 0.404764120000000, 3.579182740000000 ]- # 13 (S) - [ -1.673215710000000, -0.655941010000000, -0.667764950000000 ] - [ -0.558583590000000, -2.108972590000000, -0.660664600000000 ] - [ -0.452037500000000, -0.423563950000000, -1.708223460000000 ]- # 14 (S) - [ -2.479767180000000, -0.392504760000000, -0.254523230000000 ] - [ -0.153711000000000, -1.268119420000000, -0.087502430000000 ] - [ -0.403513680000000, -0.177424810000000, -1.373738480000000 ]- # 15 (S) - [ -1.673215710000000, 0.655941010000000, -0.667764950000000 ] - [ 0.558583590000000, -2.108972590000000, 0.660664600000000 ] - [ -0.452037500000000, 0.423563950000000, -1.708223460000000 ]- # 16 (S) - [ -2.479767180000000, 0.392504760000000, -0.254523230000000 ] - [ 0.153711000000000, -1.268119420000000, 0.087502430000000 ] - [ -0.403513680000000, 0.177424810000000, -1.373738480000000 ]- # 17 (S) - [ -2.479767180000000, 0.392504760000000, -0.254523230000000 ] - [ 0.153711000000000, -1.268119420000000, 0.087502430000000 ] - [ -0.403513680000000, 0.177424810000000, -1.373738480000000 ]- # 18 (S) - [ -1.673215710000000, 0.655941010000000, -0.667764950000000 ] - [ 0.558583590000000, -2.108972590000000, 0.660664600000000 ] - [ -0.452037500000000, 0.423563950000000, -1.708223460000000 ]- # 19 (S) - [ -2.479767180000000, -0.392504760000000, -0.254523230000000 ] - [ -0.153711000000000, -1.268119420000000, -0.087502430000000 ] - [ -0.403513680000000, -0.177424810000000, -1.373738480000000 ]- # 20 (S) - [ -1.673215710000000, -0.655941010000000, -0.667764950000000 ] - [ -0.558583590000000, -2.108972590000000, -0.660664600000000 ] - [ -0.452037500000000, -0.423563950000000, -1.708223460000000 ]- # 21 (O) - [ -1.465629620000000, -0.383666920000000, 1.207433080000000 ] - [ -0.562776850000000, -2.791997950000000, 1.777559650000000 ] - [ 0.946128940000000, 1.374451680000000, -3.005364980000000 ]- # 22 (O) - [ -1.465629620000000, 0.383666920000000, 1.207433080000000 ] - [ 0.562776850000000, -2.791997950000000, -1.777559649999999 ] - [ 0.946128940000000, -1.374451680000000, -3.005364980000000 ]- # 23 (O) - [ -1.465629620000000, 0.383666920000000, 1.207433080000000 ] - [ 0.562776850000000, -2.791997950000000, -1.777559649999999 ] - [ 0.946128940000000, -1.374451680000000, -3.005364980000000 ]- # 24 (O) - [ -1.465629620000000, -0.383666920000000, 1.207433080000000 ] - [ -0.562776850000000, -2.791997950000000, 1.777559649999999 ] - [ 0.946128940000000, 1.374451680000000, -3.005364980000000 ]dielectric_constant: - [ 5.655041530000000, 0.000000000000000, 0.418204580000000 ] - [ 0.000000000000000, 5.367089170000000, 0.000000000000000 ] - [ 0.418216530000000, 0.000000000000000, 5.197811890000000 ]displacements:- atom: 1 displacement: [ 0.0099999774088725, 0.0000000000000000, -0.0000212561059198 ] forces: - [ -0.0189570900000000, 0.0029526100000000, 0.0034450700000000 ] - [ 0.0002362700000000, -0.0004512900000000, 0.0000148700000000 ] - [ 0.0000201100000000, -0.0003663600000000, -0.0006377500000000 ] - [ -0.0003508000000000, -0.0004460900000000, 0.0003281300000000 ] - [ 0.0000043500000000, -0.0004980900000000, -0.0002648700000000 ] - [ -0.0003634500000000, -0.0004894900000000, 0.0000741400000000 ] - [ -0.0001683300000000, -0.0001529200000000, 0.0000397100000000 ] - [ 0.0000197000000000, 0.0000463800000000, 0.0000956100000000 ] - [ -0.0001567200000000, 0.0000294000000000, 0.0000652300000000 ] - [ -0.0000951500000000, 0.0000416700000000, 0.0001479400000000 ] - [ -0.0001226900000000, -0.0000078400000000, 0.0000892700000000 ] - [ -0.0001148900000000, 0.0000329200000000, 0.0001125100000000 ] - [ -0.0004460400000000, 0.0005228000000000, 0.0000453000000000 ] - [ -0.0000909900000000, 0.0004245800000000, 0.0000278500000000 ] - [ -0.0004621600000000, 0.0002965700000000, -0.0000960500000000 ] - [ -0.0001041200000000, 0.0006351300000000, 0.0000894800000000 ] - [ -0.0002467300000000, 0.0004218800000000, 0.0000373600000000 ] - [ -0.0003582400000000, 0.0004229500000000, 0.0001810100000000 ] - [ 0.0000161300000000, -0.0006112500000000, -0.0000788900000000 ] - [ 0.0006430700000000, 0.0001058100000000, 0.0003835200000000 ] - [ -0.0004601700000000, 0.0003621300000000, 0.0000313900000000 ] - [ 0.0000969500000000, -0.0002605300000000, 0.0000866000000000 ] - [ -0.0000622500000000, -0.0000042700000000, 0.0000501300000000 ] - [ -0.0001953200000000, -0.0000127200000000, 0.0001939000000000 ] - [ 0.0010146800000000, 0.0002087100000000, -0.0010648600000000 ] - [ 0.0010905700000000, -0.0004304600000000, 0.0006370200000000 ] - [ -0.0007838900000000, -0.0002072000000000, 0.0004468100000000 ] - [ 0.0006332400000000, 0.0001447700000000, -0.0001255200000000 ] - [ 0.0001645200000000, -0.0000005100000000, -0.0001519300000000 ] - [ 0.0000718200000000, -0.0000045400000000, -0.0001495900000000 ] - [ 0.0002617300000000, -0.0002952900000000, -0.0001282000000000 ] - [ 0.0003589300000000, -0.0004562300000000, -0.0000985500000000 ] - [ 0.0002127100000000, -0.0003157400000000, -0.0000778800000000 ] - [ 0.0003805400000000, -0.0004328300000000, -0.0000949600000000 ] - [ 0.0002980300000000, -0.0004082300000000, 0.0000137000000000 ] - [ 0.0002551600000000, -0.0003792800000000, 0.0000601700000000 ] - [ 0.0001875900000000, 0.0000175300000000, -0.0001663700000000 ] - [ 0.0000468800000000, 0.0001052600000000, 0.0001211000000000 ] - [ -0.0002582900000000, 0.0008824000000000, -0.0002272600000000 ] - [ 0.0003861500000000, -0.0002704900000000, -0.0001343800000000 ] - [ 0.0000209900000000, -0.0000169800000000, -0.0000618200000000 ] - [ 0.0002044500000000, -0.0000114500000000, -0.0001513300000000 ] - [ 0.0004110500000000, 0.0004335400000000, -0.0001613700000000 ] - [ -0.0003443100000000, 0.0001244100000000, 0.0006396100000000 ] - [ 0.0005317800000000, -0.0005649500000000, 0.0003366300000000 ] - [ 0.0009374800000000, 0.0007100800000000, -0.0004368200000000 ] - [ 0.0002104700000000, 0.0004200800000000, -0.0000695000000000 ] - [ 0.0003758300000000, 0.0004062500000000, -0.0001528900000000 ] - [ -0.0047484200000000, 0.0065452700000000, -0.0020519500000000 ] - [ 0.0005913800000000, -0.0003989200000000, 0.0011955100000000 ] - [ 0.0001376200000000, 0.0002211500000000, 0.0007472800000000 ] - [ -0.0000457800000000, 0.0001522600000000, 0.0010902600000000 ] - [ -0.0001408900000000, -0.0002402500000000, 0.0010760700000000 ] - [ 0.0003422900000000, 0.0003610400000000, 0.0009440400000000 ] - [ -0.0007533200000000, -0.0002685000000000, 0.0015640900000000 ] - [ 0.0004733600000000, -0.0002036600000000, 0.0008393700000000 ] - [ -0.0000727600000000, 0.0002934600000000, 0.0004610900000000 ] - [ 0.0000416500000000, -0.0003856900000000, 0.0010231800000000 ] - [ 0.0000965900000000, -0.0001761000000000, 0.0008270000000000 ] - [ -0.0000766500000000, -0.0002648900000000, 0.0011083600000000 ] - [ 0.0007188800000000, 0.0013578300000000, -0.0016220100000000 ] - [ -0.0017759300000000, -0.0032860200000000, 0.0024047600000000 ] - [ -0.0005584500000000, 0.0008468700000000, 0.0008003100000000 ] - [ 0.0007364300000000, -0.0000571600000000, -0.0019546400000000 ] - [ -0.0000257500000000, 0.0002961200000000, -0.0009085800000000 ] - [ 0.0001340600000000, 0.0007029900000000, -0.0012716600000000 ] - [ 0.0003776800000000, -0.0006241300000000, -0.0009526800000000 ] - [ -0.0018107800000000, 0.0028498800000000, -0.0012981000000000 ] - [ 0.0046394600000000, 0.0001367800000000, -0.0010632600000000 ] - [ 0.0056487100000000, -0.0054506100000000, -0.0065389400000000 ] - [ -0.0005716500000000, -0.0003160700000000, -0.0004760200000000 ] - [ 0.0003812300000000, -0.0002575700000000, -0.0013230400000000 ] - [ 0.0001498200000000, 0.0012425800000000, 0.0007860500000000 ] - [ -0.0008070800000000, 0.0004676300000000, 0.0002288100000000 ] - [ -0.0003631100000000, 0.0008833900000000, 0.0005794400000000 ] - [ -0.0006163300000000, 0.0005009000000000, 0.0001859400000000 ] - [ -0.0004821800000000, 0.0006405300000000, 0.0003724000000000 ] - [ -0.0004945700000000, 0.0006981500000000, 0.0003025300000000 ] - [ 0.0048063300000000, -0.0007762600000000, -0.0001145300000000 ] - [ -0.0009249700000000, -0.0002384200000000, -0.0008064600000000 ] - [ -0.0002498500000000, -0.0002659300000000, -0.0007570200000000 ] - [ -0.0001613600000000, -0.0001191800000000, -0.0009717700000000 ] - [ -0.0002370200000000, -0.0000444000000000, -0.0007983700000000 ] - [ -0.0004064400000000, -0.0002120600000000, -0.0012149100000000 ] - [ 0.0029566800000000, -0.0022943000000000, -0.0021322400000000 ] - [ -0.0008422200000000, -0.0004999900000000, 0.0001454200000000 ] - [ -0.0001483600000000, -0.0007417800000000, 0.0030690000000000 ] - [ -0.0014634500000000, 0.0004677600000000, -0.0005092100000000 ] - [ -0.0005154700000000, -0.0007278700000000, 0.0005079400000000 ] - [ -0.0004161500000000, -0.0007538500000000, 0.0003644900000000 ] - [ 0.0000750400000000, 0.0001842200000000, -0.0009147100000000 ] - [ -0.0005548200000000, 0.0001040500000000, -0.0009502300000000 ] - [ 0.0001385200000000, 0.0001550500000000, -0.0008833600000000 ] - [ -0.0003148300000000, 0.0001853800000000, -0.0008870300000000 ] - [ -0.0002323200000000, 0.0001718300000000, -0.0008408500000000 ] - [ -0.0001281400000000, 0.0001517600000000, -0.0009512400000000 ] - [ 0.0000075100000000, -0.0004548200000000, 0.0011134600000000 ] - [ -0.0003478700000000, 0.0001087200000000, 0.0005575300000000 ] - [ 0.0006875900000000, -0.0004812300000000, 0.0007618300000000 ] - [ -0.0002613300000000, -0.0000608700000000, 0.0009194300000000 ] - [ 0.0001524000000000, -0.0001773900000000, 0.0009077600000000 ] - [ 0.0002510600000000, -0.0002245200000000, 0.0008917400000000 ] - [ 0.0000111400000000, 0.0014431700000000, -0.0004970600000000 ] - [ 0.0029090800000000, -0.0017358100000000, 0.0011242600000000 ] - [ 0.0006823700000000, 0.0009441100000000, -0.0005936500000000 ] - [ 0.0001865300000000, 0.0006998700000000, -0.0002956800000000 ] - [ 0.0004049600000000, 0.0008153300000000, -0.0004454300000000 ] - [ 0.0005051700000000, 0.0009712200000000, -0.0002434100000000 ] - [ -0.0000999900000000, 0.0001696200000000, 0.0009696900000000 ] - [ 0.0010969300000000, 0.0003503900000000, 0.0006709300000000 ] - [ 0.0010443800000000, 0.0015926400000000, 0.0019991300000000 ] - [ -0.0012204700000000, 0.0001752300000000, 0.0009832200000000 ] - [ 0.0005783700000000, 0.0003036900000000, 0.0010945800000000 ] - [ -0.0000585300000000, 0.0001275400000000, 0.0008119000000000 ] - [ 0.0003570100000000, -0.0008793000000000, -0.0004251500000000 ] - [ 0.0005122700000000, -0.0007749600000000, -0.0005326600000000 ] - [ 0.0005660000000000, -0.0008713100000000, -0.0003465600000000 ] - [ 0.0003477300000000, -0.0007157800000000, -0.0003928900000000 ] - [ 0.0005107500000000, -0.0007827100000000, -0.0004232800000000 ] - [ 0.0003947200000000, -0.0007784000000000, -0.0003977200000000 ] - [ 0.0034068300000000, 0.0012450100000000, -0.0011209900000000 ] - [ -0.0017016200000000, -0.0005203200000000, 0.0021063500000000 ] - [ -0.0009293800000000, 0.0004918600000000, 0.0003687900000000 ] - [ -0.0002552900000000, 0.0007338600000000, -0.0010337900000000 ] - [ -0.0008606300000000, -0.0001185600000000, 0.0005897900000000 ] - [ -0.0005264100000000, 0.0004810400000000, -0.0001813400000000 ] - [ 0.0006165500000000, -0.0021752900000000, -0.0024209100000000 ] - [ -0.0009134000000000, -0.0002976100000000, 0.0002815400000000 ] - [ -0.0011170000000000, 0.0008632600000000, 0.0011758200000000 ] - [ -0.0006606100000000, -0.0023333700000000, -0.0019385100000000 ] - [ -0.0006905400000000, -0.0004407200000000, 0.0000010000000000 ] - [ -0.0004551100000000, -0.0004832300000000, -0.0002803200000000 ] - [ 0.0004374000000000, 0.0006782000000000, 0.0004325500000000 ] - [ 0.0013716600000000, -0.0003765200000000, -0.0003452000000000 ] - [ 0.0006128100000000, 0.0005018700000000, 0.0002171200000000 ] - [ 0.0004541000000000, 0.0005420800000000, 0.0003594600000000 ] - [ 0.0005721500000000, 0.0003546600000000, 0.0000432900000000 ] - [ 0.0005560400000000, 0.0006140500000000, 0.0002484800000000 ] - [ 0.0003532100000000, -0.0005477400000000, 0.0003669300000000 ] - [ 0.0010273500000000, -0.0001562100000000, -0.0002705400000000 ] - [ 0.0006669900000000, -0.0001747500000000, 0.0001467200000000 ] - [ 0.0002540100000000, -0.0013299400000000, 0.0009452400000000 ] - [ 0.0006686800000000, -0.0003948900000000, -0.0000205000000000 ] - [ 0.0004382200000000, -0.0005872400000000, 0.0004232500000000 ]- atom: 1 displacement: [ -0.0099999774088725, 0.0000000000000000, 0.0000212561059198 ] forces: - [ 0.0184380600000000, -0.0040339700000000, -0.0032804700000000 ] - [ -0.0008306700000000, -0.0003531100000000, 0.0001853000000000 ] - [ -0.0005897300000000, -0.0004608500000000, 0.0006236900000000 ] - [ -0.0002141200000000, -0.0003883600000000, -0.0003385100000000 ] - [ -0.0006032400000000, -0.0003215400000000, 0.0003972500000000 ] - [ -0.0002262100000000, -0.0003348300000000, 0.0000552600000000 ] - [ -0.0000528500000000, 0.0001590600000000, 0.0001928400000000 ] - [ -0.0002410000000000, -0.0000405400000000, 0.0001375600000000 ] - [ -0.0001042600000000, -0.0000060000000000, 0.0001631600000000 ] - [ -0.0001652800000000, -0.0000198100000000, 0.0000818400000000 ] - [ -0.0001331800000000, 0.0000126100000000, 0.0000164300000000 ] - [ -0.0001380400000000, -0.0000248800000000, -0.0000083800000000 ] - [ -0.0001197300000000, 0.0003078700000000, -0.0000608900000000 ] - [ -0.0004705500000000, 0.0004106400000000, -0.0000391000000000 ] - [ -0.0001345300000000, 0.0005200700000000, 0.0002236900000000 ] - [ -0.0004840000000000, 0.0001982500000000, 0.0000390200000000 ] - [ -0.0003391900000000, 0.0004082500000000, 0.0001649900000000 ] - [ -0.0002278900000000, 0.0003963200000000, 0.0000204900000000 ] - [ -0.0002803000000000, 0.0005880600000000, 0.0003064600000000 ] - [ -0.0009037400000000, -0.0001268500000000, -0.0001546200000000 ] - [ 0.0002091400000000, -0.0003659500000000, 0.0000737500000000 ] - [ -0.0003485100000000, 0.0002557600000000, 0.0000211000000000 ] - [ -0.0001580200000000, -0.0000023900000000, 0.0001820600000000 ] - [ -0.0000265200000000, 0.0000071500000000, 0.0000392400000000 ] - [ -0.0007857900000000, -0.0001983200000000, 0.0008200600000000 ] - [ -0.0008771300000000, 0.0004404800000000, -0.0008769500000000 ] - [ 0.0010309500000000, 0.0002133200000000, -0.0005543200000000 ] - [ -0.0003799900000000, -0.0001410200000000, 0.0000187000000000 ] - [ 0.0000935500000000, 0.0000245800000000, -0.0000783800000000 ] - [ 0.0001883400000000, 0.0000315100000000, -0.0000793500000000 ] - [ 0.0003219300000000, -0.0005366200000000, -0.0000753000000000 ] - [ 0.0002329500000000, -0.0003724600000000, -0.0001020400000000 ] - [ 0.0003796500000000, -0.0005121700000000, -0.0000513400000000 ] - [ 0.0002161800000000, -0.0003894400000000, -0.0000350900000000 ] - [ 0.0002768000000000, -0.0004113100000000, -0.0000019800000000 ] - [ 0.0003153400000000, -0.0004466300000000, -0.0000473100000000 ] - [ 0.0000579400000000, -0.0000275000000000, 0.0000565100000000 ] - [ 0.0002054400000000, -0.0001140200000000, -0.0002274600000000 ] - [ 0.0005138800000000, -0.0009012300000000, -0.0000034900000000 ] - [ -0.0001267800000000, 0.0002453400000000, -0.0000985100000000 ] - [ 0.0002009500000000, 0.0000102500000000, -0.0001724500000000 ] - [ 0.0000122900000000, 0.0000058600000000, -0.0000825000000000 ] - [ 0.0001707200000000, 0.0004084600000000, 0.0000319900000000 ] - [ 0.0009372200000000, 0.0007108000000000, -0.0007688000000000 ] - [ 0.0000432200000000, 0.0013858000000000, -0.0003203600000000 ] - [ -0.0003751400000000, 0.0001250700000000, 0.0004555100000000 ] - [ 0.0003806300000000, 0.0003981400000000, -0.0001328200000000 ] - [ 0.0002107800000000, 0.0004232000000000, -0.0000508100000000 ] - [ 0.0047773900000000, -0.0060737800000000, 0.0039076900000000 ] - [ -0.0005896500000000, 0.0009097800000000, 0.0006731500000000 ] - [ -0.0001398500000000, 0.0002650700000000, 0.0011232300000000 ] - [ 0.0000383300000000, 0.0003523000000000, 0.0007960500000000 ] - [ 0.0001213000000000, 0.0007636400000000, 0.0008132300000000 ] - [ -0.0003562900000000, 0.0001510200000000, 0.0009307600000000 ] - [ 0.0007440600000000, -0.0002269600000000, 0.0003233900000000 ] - [ -0.0004725400000000, -0.0003092100000000, 0.0010384900000000 ] - [ 0.0000518700000000, -0.0008185100000000, 0.0014383700000000 ] - [ -0.0000564300000000, -0.0001285400000000, 0.0008556100000000 ] - [ -0.0000903600000000, -0.0003376500000000, 0.0010342500000000 ] - [ 0.0000749600000000, -0.0002380500000000, 0.0007499800000000 ] - [ -0.0007167100000000, -0.0008411000000000, -0.0002333000000000 ] - [ 0.0017836000000000, 0.0037678600000000, -0.0042583300000000 ] - [ 0.0005806100000000, -0.0003185600000000, -0.0026876200000000 ] - [ -0.0007161300000000, 0.0005646200000000, 0.0000628600000000 ] - [ 0.0000331900000000, 0.0001983600000000, -0.0009702200000000 ] - [ -0.0001205100000000, -0.0002157700000000, -0.0006056600000000 ] - [ -0.0003575600000000, 0.0001050000000000, -0.0009426400000000 ] - [ 0.0018423300000000, -0.0033674200000000, -0.0005692400000000 ] - [ -0.0045992600000000, -0.0006165800000000, -0.0008140300000000 ] - [ -0.0056583800000000, 0.0050252000000000, 0.0047027700000000 ] - [ 0.0005670400000000, -0.0001901500000000, -0.0013704000000000 ] - [ -0.0003765900000000, -0.0002429800000000, -0.0005402800000000 ] - [ -0.0010730300000000, 0.0002615000000000, 0.0000191800000000 ] - [ -0.0001177700000000, 0.0010312000000000, 0.0005762000000000 ] - [ -0.0005625800000000, 0.0006169400000000, 0.0002393200000000 ] - [ -0.0003055400000000, 0.0010010500000000, 0.0006337600000000 ] - [ -0.0004320100000000, 0.0008640000000000, 0.0004356000000000 ] - [ -0.0004306300000000, 0.0007992200000000, 0.0004984600000000 ] - [ -0.0051664000000000, 0.0004097200000000, -0.0016532200000000 ] - [ 0.0005678600000000, -0.0001120600000000, -0.0009642200000000 ] - [ -0.0001099500000000, -0.0000877400000000, -0.0010165400000000 ] - [ -0.0001880900000000, -0.0002273300000000, -0.0008005400000000 ] - [ -0.0001248700000000, -0.0003096300000000, -0.0009799900000000 ] - [ 0.0000581300000000, -0.0001411400000000, -0.0005589300000000 ] - [ -0.0038779200000000, 0.0007918800000000, 0.0028789900000000 ] - [ -0.0000822100000000, -0.0010056900000000, 0.0006757300000000 ] - [ -0.0007828700000000, -0.0007605300000000, -0.0022720400000000 ] - [ 0.0005389900000000, -0.0019726900000000, 0.0013093700000000 ] - [ -0.0004064200000000, -0.0007706800000000, 0.0002909100000000 ] - [ -0.0005056700000000, -0.0007501500000000, 0.0004424400000000 ] - [ -0.0004479800000000, 0.0001741000000000, -0.0008640700000000 ] - [ 0.0001758400000000, 0.0002529200000000, -0.0008255500000000 ] - [ -0.0004914500000000, 0.0001958300000000, -0.0008935400000000 ] - [ -0.0000366800000000, 0.0001691800000000, -0.0008897200000000 ] - [ -0.0001234700000000, 0.0001764400000000, -0.0009314900000000 ] - [ -0.0002254700000000, 0.0002000100000000, -0.0008211200000000 ] - [ 0.0003385500000000, 0.0001065700000000, 0.0006537200000000 ] - [ 0.0006879800000000, -0.0004527300000000, 0.0012106500000000 ] - [ -0.0003502800000000, 0.0001305900000000, 0.0010082400000000 ] - [ 0.0006040700000000, -0.0002910400000000, 0.0008546700000000 ] - [ 0.0002006400000000, -0.0001743300000000, 0.0008653300000000 ] - [ 0.0000982700000000, -0.0001239700000000, 0.0008773900000000 ] - [ 0.0009140300000000, 0.0000492300000000, -0.0002984700000000 ] - [ -0.0021230500000000, 0.0031552500000000, -0.0019840500000000 ] - [ 0.0002386800000000, 0.0005577400000000, -0.0002129200000000 ] - [ 0.0007365100000000, 0.0007994900000000, -0.0005002500000000 ] - [ 0.0005255400000000, 0.0006801100000000, -0.0003700200000000 ] - [ 0.0004248400000000, 0.0005111800000000, -0.0005654700000000 ] - [ 0.0004432500000000, 0.0001811600000000, 0.0008055800000000 ] - [ -0.0007622200000000, -0.0000001400000000, 0.0011034000000000 ] - [ -0.0005322200000000, -0.0011385100000000, -0.0001219500000000 ] - [ 0.0015674600000000, 0.0001702300000000, 0.0007863700000000 ] - [ -0.0002390300000000, 0.0000436600000000, 0.0006711100000000 ] - [ 0.0004020400000000, 0.0002208800000000, 0.0009579900000000 ] - [ 0.0005820500000000, -0.0005969300000000, -0.0003608200000000 ] - [ 0.0004182900000000, -0.0007117900000000, -0.0002545700000000 ] - [ 0.0003665200000000, -0.0006263300000000, -0.0004626700000000 ] - [ 0.0005790400000000, -0.0007759800000000, -0.0004238500000000 ] - [ 0.0004155300000000, -0.0007112100000000, -0.0003746900000000 ] - [ 0.0005378500000000, -0.0007150300000000, -0.0003975900000000 ] - [ -0.0046594400000000, -0.0000563000000000, 0.0007468500000000 ] - [ 0.0005677100000000, 0.0015037200000000, -0.0024726900000000 ] - [ -0.0002126500000000, 0.0005421900000000, -0.0007358800000000 ] - [ -0.0008645400000000, 0.0002485800000000, 0.0006541800000000 ] - [ -0.0002291600000000, 0.0010962800000000, -0.0010338500000000 ] - [ -0.0005875000000000, 0.0005328100000000, -0.0002364800000000 ] - [ -0.0017374600000000, 0.0011910000000000, 0.0020432000000000 ] - [ -0.0002118700000000, -0.0006956000000000, -0.0006566400000000 ] - [ -0.0000064900000000, -0.0018488500000000, -0.0015680200000000 ] - [ -0.0004578200000000, 0.0012986000000000, 0.0015149900000000 ] - [ -0.0004295100000000, -0.0005712200000000, -0.0004017200000000 ] - [ -0.0006732500000000, -0.0005089600000000, -0.0000984400000000 ] - [ 0.0007106600000000, 0.0003348600000000, -0.0000702300000000 ] - [ -0.0002477500000000, 0.0013627400000000, 0.0007300200000000 ] - [ 0.0004966800000000, 0.0004907000000000, 0.0002041000000000 ] - [ 0.0006781700000000, 0.0004537300000000, 0.0000248600000000 ] - [ 0.0005527400000000, 0.0006402900000000, 0.0003391500000000 ] - [ 0.0005754800000000, 0.0004096200000000, 0.0001310200000000 ] - [ 0.0007530100000000, -0.0004744500000000, 0.0000728200000000 ] - [ 0.0001148300000000, -0.0008568400000000, 0.0006461600000000 ] - [ 0.0004884100000000, -0.0008465100000000, 0.0002018300000000 ] - [ 0.0008538100000000, 0.0003304700000000, -0.0005376900000000 ] - [ 0.0004644800000000, -0.0005951700000000, 0.0003958300000000 ] - [ 0.0006733600000000, -0.0004107300000000, -0.0000132300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0033990300000000, -0.0219597000000000, -0.0013688500000000 ] - [ -0.0003485500000000, -0.0007683300000000, -0.0001540200000000 ] - [ -0.0003726200000000, -0.0003693700000000, 0.0002708400000000 ] - [ -0.0003591400000000, -0.0005013200000000, 0.0001728300000000 ] - [ -0.0002500500000000, -0.0003645500000000, 0.0000162600000000 ] - [ -0.0003249000000000, -0.0004976000000000, 0.0001161500000000 ] - [ -0.0001373800000000, 0.0015682300000000, 0.0001925600000000 ] - [ -0.0000117700000000, 0.0001313000000000, 0.0001212700000000 ] - [ -0.0000904900000000, 0.0000407100000000, -0.0000374500000000 ] - [ -0.0001225800000000, 0.0000679900000000, 0.0001023000000000 ] - [ -0.0001815300000000, 0.0000089000000000, 0.0001820100000000 ] - [ -0.0000826200000000, 0.0000611200000000, 0.0001197700000000 ] - [ -0.0001710700000000, 0.0007920100000000, -0.0001971700000000 ] - [ -0.0004995000000000, 0.0006369000000000, -0.0001567400000000 ] - [ -0.0004048600000000, 0.0007855500000000, 0.0002950600000000 ] - [ -0.0003016400000000, 0.0006343400000000, 0.0000637800000000 ] - [ -0.0003009100000000, 0.0004257400000000, 0.0001359700000000 ] - [ -0.0003068500000000, 0.0004453600000000, 0.0001524000000000 ] - [ -0.0007676600000000, 0.0000068100000000, 0.0011628100000000 ] - [ 0.0006858400000000, 0.0003582900000000, 0.0005405000000000 ] - [ 0.0002089300000000, -0.0004340900000000, -0.0010366600000000 ] - [ -0.0000785600000000, -0.0002291100000000, -0.0000417900000000 ] - [ -0.0000857800000000, 0.0000030600000000, 0.0001442800000000 ] - [ -0.0001445800000000, -0.0000243000000000, 0.0001892900000000 ] - [ 0.0005062100000000, -0.0002521200000000, -0.0006590900000000 ] - [ -0.0002996700000000, -0.0011894400000000, -0.0005952900000000 ] - [ 0.0001068200000000, -0.0000665400000000, 0.0004847200000000 ] - [ 0.0001989900000000, 0.0000296700000000, 0.0001859400000000 ] - [ 0.0001380400000000, -0.0000151200000000, -0.0000780400000000 ] - [ 0.0001406800000000, 0.0000106500000000, -0.0001120400000000 ] - [ 0.0001712700000000, -0.0001920700000000, -0.0001344100000000 ] - [ 0.0003370900000000, 0.0002908500000000, -0.0000982900000000 ] - [ 0.0001981200000000, -0.0002191600000000, -0.0001348400000000 ] - [ 0.0003201600000000, -0.0002948400000000, -0.0001175200000000 ] - [ 0.0002862100000000, -0.0003723100000000, 0.0000269700000000 ] - [ 0.0002526200000000, -0.0003863300000000, 0.0000920800000000 ] - [ 0.0001412100000000, 0.0000152600000000, -0.0001428900000000 ] - [ 0.0001569300000000, 0.0001016500000000, -0.0003375100000000 ] - [ 0.0004655500000000, 0.0004618900000000, 0.0000221300000000 ] - [ 0.0000422800000000, 0.0002469200000000, 0.0000802200000000 ] - [ 0.0000895400000000, 0.0000180700000000, -0.0000323300000000 ] - [ 0.0001304200000000, -0.0000007300000000, -0.0000501600000000 ] - [ 0.0003042700000000, 0.0004012900000000, -0.0000056800000000 ] - [ 0.0000065400000000, 0.0002282600000000, 0.0008479600000000 ] - [ -0.0006895900000000, -0.0005608900000000, -0.0005382300000000 ] - [ 0.0005738000000000, -0.0001376100000000, -0.0006501600000000 ] - [ 0.0003077700000000, 0.0003679300000000, -0.0000835100000000 ] - [ 0.0002835000000000, 0.0003938100000000, -0.0000683200000000 ] - [ 0.0063050300000000, 0.0077330900000000, 0.0004247200000000 ] - [ -0.0001620000000000, 0.0002618100000000, 0.0010071100000000 ] - [ 0.0001463800000000, -0.0001048100000000, 0.0007583200000000 ] - [ -0.0001531000000000, 0.0003268700000000, 0.0008495200000000 ] - [ -0.0003664400000000, -0.0000242300000000, 0.0014736200000000 ] - [ 0.0003685900000000, 0.0003256300000000, 0.0010157500000000 ] - [ -0.0006895400000000, 0.0007412200000000, 0.0028956000000000 ] - [ 0.0001038800000000, -0.0000771500000000, 0.0010294300000000 ] - [ 0.0007150900000000, 0.0011014800000000, 0.0000930400000000 ] - [ -0.0003800100000000, 0.0001546600000000, 0.0005972700000000 ] - [ -0.0000270900000000, -0.0002288200000000, 0.0010370900000000 ] - [ -0.0000042000000000, -0.0001711300000000, 0.0010805100000000 ] - [ 0.0002246300000000, 0.0008464300000000, -0.0014205500000000 ] - [ -0.0000794300000000, 0.0071916000000000, -0.0051324500000000 ] - [ -0.0000126100000000, 0.0005591800000000, -0.0001764500000000 ] - [ -0.0002336900000000, 0.0004442200000000, -0.0002390000000000 ] - [ -0.0000527900000000, 0.0001489300000000, -0.0008537900000000 ] - [ 0.0000392900000000, 0.0002860200000000, -0.0009331000000000 ] - [ 0.0000516600000000, -0.0006997600000000, -0.0009946000000000 ] - [ 0.0006906900000000, -0.0009722900000000, -0.0022050600000000 ] - [ 0.0015969600000000, 0.0002724400000000, -0.0012419700000000 ] - [ -0.0066988500000000, -0.0002927300000000, 0.0067581000000000 ] - [ -0.0000521200000000, -0.0003665300000000, -0.0006411800000000 ] - [ 0.0000257800000000, -0.0002780400000000, -0.0007654100000000 ] - [ -0.0009439100000000, -0.0007777100000000, -0.0001303600000000 ] - [ -0.0004883100000000, 0.0004379800000000, 0.0003133500000000 ] - [ -0.0005746000000000, 0.0004643600000000, 0.0002905000000000 ] - [ -0.0005733000000000, 0.0004974100000000, 0.0002569500000000 ] - [ -0.0004810300000000, 0.0006301700000000, 0.0003959200000000 ] - [ -0.0004368200000000, 0.0006884400000000, 0.0005029900000000 ] - [ -0.0019602700000000, 0.0006893500000000, -0.0010478400000000 ] - [ -0.0005178800000000, -0.0001144200000000, -0.0006877100000000 ] - [ -0.0001949600000000, -0.0000743700000000, -0.0008555900000000 ] - [ -0.0000718600000000, -0.0001080600000000, -0.0009115800000000 ] - [ -0.0001820300000000, 0.0000136400000000, -0.0008646500000000 ] - [ -0.0004816700000000, -0.0002443500000000, -0.0012321500000000 ] - [ -0.0010293500000000, 0.0006657800000000, 0.0009227400000000 ] - [ -0.0007112000000000, -0.0003010200000000, 0.0003085900000000 ] - [ -0.0008450900000000, 0.0019316200000000, -0.0012576400000000 ] - [ -0.0008327000000000, -0.0000402500000000, 0.0000249000000000 ] - [ -0.0004962000000000, -0.0006653600000000, 0.0003319400000000 ] - [ -0.0004830500000000, -0.0006238200000000, 0.0003557500000000 ] - [ 0.0000132600000000, -0.0003404900000000, -0.0011046400000000 ] - [ -0.0003521600000000, -0.0000879200000000, -0.0009367000000000 ] - [ -0.0004507600000000, -0.0002293400000000, -0.0004824500000000 ] - [ -0.0001014000000000, 0.0000833300000000, -0.0008093600000000 ] - [ -0.0001851500000000, 0.0001583800000000, -0.0009010700000000 ] - [ -0.0001680400000000, 0.0001306800000000, -0.0009446200000000 ] - [ 0.0000143700000000, -0.0003480900000000, 0.0010331900000000 ] - [ 0.0013262800000000, -0.0007997600000000, 0.0014815600000000 ] - [ 0.0001030300000000, -0.0003889900000000, 0.0006676600000000 ] - [ 0.0001664100000000, -0.0003196000000000, 0.0008319800000000 ] - [ 0.0001857100000000, -0.0001888400000000, 0.0008618600000000 ] - [ 0.0001753100000000, -0.0002064800000000, 0.0008705600000000 ] - [ 0.0006886500000000, 0.0011429100000000, -0.0004013700000000 ] - [ -0.0012286200000000, 0.0018897800000000, -0.0014839000000000 ] - [ 0.0005961900000000, 0.0010103400000000, -0.0001627900000000 ] - [ 0.0003854500000000, 0.0010629600000000, -0.0004887900000000 ] - [ 0.0003884600000000, 0.0008733000000000, -0.0004995000000000 ] - [ 0.0004419100000000, 0.0009368400000000, -0.0004325000000000 ] - [ 0.0001196600000000, 0.0002337400000000, 0.0009092000000000 ] - [ 0.0002431900000000, 0.0004345700000000, 0.0009680900000000 ] - [ 0.0008153400000000, 0.0016664600000000, 0.0016249000000000 ] - [ 0.0010904300000000, 0.0007196500000000, 0.0011631200000000 ] - [ 0.0001402100000000, 0.0002124000000000, 0.0007973000000000 ] - [ 0.0001096100000000, 0.0001895200000000, 0.0007951800000000 ] - [ 0.0004280900000000, -0.0009168300000000, -0.0004429000000000 ] - [ 0.0001933000000000, -0.0014124700000000, -0.0006674500000000 ] - [ 0.0005845900000000, -0.0012143900000000, -0.0003602300000000 ] - [ 0.0002359800000000, -0.0013914400000000, -0.0006940800000000 ] - [ 0.0004622000000000, -0.0008495700000000, -0.0004005600000000 ] - [ 0.0004402300000000, -0.0008236400000000, -0.0004320400000000 ] - [ -0.0005573700000000, 0.0041687600000000, -0.0012617100000000 ] - [ -0.0009720400000000, 0.0000711700000000, 0.0011444600000000 ] - [ -0.0005275400000000, 0.0006057500000000, -0.0003355200000000 ] - [ -0.0004371800000000, 0.0006774900000000, -0.0005976000000000 ] - [ -0.0006880700000000, 0.0004876600000000, -0.0001736200000000 ] - [ -0.0004834200000000, 0.0005930900000000, -0.0003383800000000 ] - [ -0.0013226800000000, 0.0002140900000000, 0.0016205600000000 ] - [ -0.0006111200000000, -0.0002122000000000, 0.0002593500000000 ] - [ -0.0000334900000000, -0.0013371900000000, -0.0013160200000000 ] - [ -0.0003133400000000, -0.0014132000000000, -0.0009299100000000 ] - [ -0.0005450300000000, -0.0005559000000000, -0.0002781600000000 ] - [ -0.0005290600000000, -0.0005514000000000, -0.0003043700000000 ] - [ 0.0006796700000000, 0.0003226900000000, 0.0001003700000000 ] - [ 0.0009905700000000, -0.0021564000000000, -0.0022075400000000 ] - [ 0.0006376400000000, 0.0004672700000000, 0.0003229200000000 ] - [ 0.0002791200000000, 0.0007692300000000, 0.0007736300000000 ] - [ 0.0005613700000000, 0.0003196800000000, 0.0000395800000000 ] - [ 0.0006431600000000, 0.0004257700000000, 0.0000150400000000 ] - [ 0.0004800900000000, -0.0005862500000000, 0.0002778700000000 ] - [ 0.0010398900000000, -0.0002947500000000, -0.0007829500000000 ] - [ 0.0010948400000000, -0.0006042100000000, 0.0004448900000000 ] - [ -0.0005539400000000, -0.0016138500000000, 0.0028345200000000 ] - [ 0.0005768100000000, -0.0004866200000000, 0.0001338100000000 ] - [ 0.0005579500000000, -0.0004821300000000, 0.0001794200000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0035880300000000, 0.0208768900000000, 0.0014278800000000 ] - [ -0.0002494500000000, -0.0000373500000000, 0.0003551400000000 ] - [ -0.0001940800000000, -0.0004596100000000, -0.0002844200000000 ] - [ -0.0002055200000000, -0.0003294600000000, -0.0001845800000000 ] - [ -0.0003449800000000, -0.0004534000000000, 0.0001151100000000 ] - [ -0.0002656800000000, -0.0003262400000000, 0.0000133100000000 ] - [ -0.0000844700000000, -0.0015618200000000, 0.0000395600000000 ] - [ -0.0002106000000000, -0.0001265000000000, 0.0001125500000000 ] - [ -0.0001709100000000, -0.0000160400000000, 0.0002662000000000 ] - [ -0.0001382200000000, -0.0000479200000000, 0.0001286300000000 ] - [ -0.0000741200000000, -0.0000015100000000, -0.0000767700000000 ] - [ -0.0001711800000000, -0.0000526100000000, -0.0000157100000000 ] - [ -0.0003944400000000, 0.0000404100000000, 0.0001817800000000 ] - [ -0.0000640600000000, 0.0001994400000000, 0.0001453100000000 ] - [ -0.0001915000000000, 0.0000326600000000, -0.0001652200000000 ] - [ -0.0002884100000000, 0.0001976900000000, 0.0000657600000000 ] - [ -0.0002861400000000, 0.0004056000000000, 0.0000670500000000 ] - [ -0.0002804900000000, 0.0003774200000000, 0.0000488400000000 ] - [ 0.0005090400000000, -0.0000283800000000, -0.0009381000000000 ] - [ -0.0009475600000000, -0.0003823000000000, -0.0003127500000000 ] - [ -0.0004636600000000, 0.0004315000000000, 0.0011475600000000 ] - [ -0.0001727300000000, 0.0002260600000000, 0.0001506000000000 ] - [ -0.0001353100000000, -0.0000096900000000, 0.0000875700000000 ] - [ -0.0000782600000000, 0.0000181800000000, 0.0000430800000000 ] - [ -0.0002870300000000, 0.0002560700000000, 0.0004234100000000 ] - [ 0.0005200200000000, 0.0011928600000000, 0.0003576300000000 ] - [ 0.0001432600000000, 0.0000727800000000, -0.0005920300000000 ] - [ 0.0000505400000000, -0.0000262700000000, -0.0002933500000000 ] - [ 0.0001207300000000, 0.0000389700000000, -0.0001523700000000 ] - [ 0.0001195700000000, 0.0000160600000000, -0.0001171200000000 ] - [ 0.0004144900000000, -0.0006394300000000, -0.0000689400000000 ] - [ 0.0002542800000000, -0.0011179600000000, -0.0001030100000000 ] - [ 0.0003957000000000, -0.0006095700000000, 0.0000062700000000 ] - [ 0.0002769700000000, -0.0005259400000000, -0.0000122800000000 ] - [ 0.0002891300000000, -0.0004480400000000, -0.0000159400000000 ] - [ 0.0003195900000000, -0.0004388000000000, -0.0000801700000000 ] - [ 0.0001047400000000, -0.0000258500000000, 0.0000337700000000 ] - [ 0.0000935500000000, -0.0001101600000000, 0.0002294300000000 ] - [ -0.0002063700000000, -0.0004841300000000, -0.0002513100000000 ] - [ 0.0002163400000000, -0.0002705700000000, -0.0003120200000000 ] - [ 0.0001321800000000, -0.0000245500000000, -0.0002023400000000 ] - [ 0.0000868100000000, -0.0000036500000000, -0.0001835500000000 ] - [ 0.0002801600000000, 0.0004413700000000, -0.0001232500000000 ] - [ 0.0005864200000000, 0.0006067800000000, -0.0009777000000000 ] - [ 0.0012611700000000, 0.0013908700000000, 0.0005509300000000 ] - [ -0.0000068000000000, 0.0009739500000000, 0.0006656500000000 ] - [ 0.0002861700000000, 0.0004509800000000, -0.0001188100000000 ] - [ 0.0003018700000000, 0.0004361300000000, -0.0001353400000000 ] - [ -0.0063914300000000, -0.0073669200000000, 0.0014282300000000 ] - [ 0.0001646100000000, 0.0002566400000000, 0.0008566300000000 ] - [ -0.0001487100000000, 0.0005943000000000, 0.0011128500000000 ] - [ 0.0001461400000000, 0.0001800800000000, 0.0010372700000000 ] - [ 0.0003471200000000, 0.0005501600000000, 0.0004114600000000 ] - [ -0.0003807000000000, 0.0001875400000000, 0.0008578100000000 ] - [ 0.0006756600000000, -0.0012379800000000, -0.0010089900000000 ] - [ -0.0001029500000000, -0.0004343600000000, 0.0008484700000000 ] - [ -0.0007360200000000, -0.0016258400000000, 0.0018050700000000 ] - [ 0.0003677500000000, -0.0006716400000000, 0.0012824400000000 ] - [ 0.0000338300000000, -0.0002846400000000, 0.0008221800000000 ] - [ 0.0000027300000000, -0.0003322800000000, 0.0007785500000000 ] - [ -0.0002251800000000, -0.0003359100000000, -0.0004301900000000 ] - [ 0.0000605300000000, -0.0066442300000000, 0.0032533200000000 ] - [ 0.0000376000000000, -0.0000353800000000, -0.0017211000000000 ] - [ 0.0002512000000000, 0.0000659700000000, -0.0016496800000000 ] - [ 0.0000609500000000, 0.0003464700000000, -0.0010253700000000 ] - [ -0.0000279800000000, 0.0002035000000000, -0.0009431400000000 ] - [ -0.0000334100000000, 0.0001811000000000, -0.0009003200000000 ] - [ -0.0006598000000000, 0.0004393700000000, 0.0003225300000000 ] - [ -0.0015977000000000, -0.0007564600000000, -0.0006388500000000 ] - [ 0.0066769900000000, -0.0002217800000000, -0.0086119900000000 ] - [ 0.0000455900000000, -0.0001410000000000, -0.0012077600000000 ] - [ -0.0000233400000000, -0.0002246000000000, -0.0010966700000000 ] - [ 0.0000169200000000, 0.0022744500000000, 0.0009309200000000 ] - [ -0.0004366500000000, 0.0010597800000000, 0.0004903800000000 ] - [ -0.0003529900000000, 0.0010348600000000, 0.0005261900000000 ] - [ -0.0003479000000000, 0.0010051400000000, 0.0005632000000000 ] - [ -0.0004350800000000, 0.0008724600000000, 0.0004112800000000 ] - [ -0.0004883900000000, 0.0008092100000000, 0.0002978000000000 ] - [ 0.0016712800000000, -0.0012566800000000, -0.0006732500000000 ] - [ 0.0001608500000000, -0.0002357800000000, -0.0010836700000000 ] - [ -0.0001680600000000, -0.0002801000000000, -0.0009192400000000 ] - [ -0.0002798300000000, -0.0002385900000000, -0.0008614200000000 ] - [ -0.0001819600000000, -0.0003670700000000, -0.0009127900000000 ] - [ 0.0001305700000000, -0.0001093100000000, -0.0005428200000000 ] - [ 0.0000709500000000, -0.0021534800000000, -0.0000604200000000 ] - [ -0.0002124900000000, -0.0012030900000000, 0.0005124700000000 ] - [ -0.0000764900000000, -0.0034197100000000, 0.0020545800000000 ] - [ -0.0000885100000000, -0.0014688200000000, 0.0007800000000000 ] - [ -0.0004263000000000, -0.0008305500000000, 0.0004656500000000 ] - [ -0.0004397300000000, -0.0008784100000000, 0.0004500400000000 ] - [ -0.0003898800000000, 0.0007016700000000, -0.0006735900000000 ] - [ -0.0000286600000000, 0.0004451800000000, -0.0008393900000000 ] - [ 0.0000962600000000, 0.0005822700000000, -0.0012957900000000 ] - [ -0.0002519100000000, 0.0002729400000000, -0.0009682600000000 ] - [ -0.0001724800000000, 0.0001908300000000, -0.0008712200000000 ] - [ -0.0001876700000000, 0.0002224300000000, -0.0008277000000000 ] - [ 0.0003328600000000, 0.0000010300000000, 0.0007330600000000 ] - [ -0.0009761900000000, 0.0004529900000000, 0.0002897500000000 ] - [ 0.0002321800000000, 0.0000410600000000, 0.0011027000000000 ] - [ 0.0001801400000000, -0.0000327500000000, 0.0009427100000000 ] - [ 0.0001685200000000, -0.0001622600000000, 0.0009117300000000 ] - [ 0.0001768500000000, -0.0001415900000000, 0.0008994700000000 ] - [ 0.0002400300000000, 0.0003422600000000, -0.0003913800000000 ] - [ 0.0021624700000000, -0.0004363200000000, 0.0006977500000000 ] - [ 0.0003235700000000, 0.0004892400000000, -0.0006446700000000 ] - [ 0.0005407900000000, 0.0004337100000000, -0.0003055700000000 ] - [ 0.0005428000000000, 0.0006206200000000, -0.0003147000000000 ] - [ 0.0004885700000000, 0.0005431800000000, -0.0003752700000000 ] - [ 0.0002251200000000, 0.0001177700000000, 0.0008664400000000 ] - [ 0.0000965200000000, -0.0000805300000000, 0.0008087900000000 ] - [ -0.0004289000000000, -0.0013107700000000, 0.0001694800000000 ] - [ -0.0007350500000000, -0.0003693700000000, 0.0006102300000000 ] - [ 0.0002014100000000, 0.0001362000000000, 0.0009708900000000 ] - [ 0.0002364300000000, 0.0001603700000000, 0.0009749400000000 ] - [ 0.0005116300000000, -0.0005560800000000, -0.0003420000000000 ] - [ 0.0007397400000000, -0.0000713600000000, -0.0001165600000000 ] - [ 0.0003475400000000, -0.0002796100000000, -0.0004483100000000 ] - [ 0.0006930700000000, -0.0000969500000000, -0.0001207700000000 ] - [ 0.0004647600000000, -0.0006415200000000, -0.0003952900000000 ] - [ 0.0004939200000000, -0.0006666000000000, -0.0003617100000000 ] - [ -0.0009236300000000, -0.0026517700000000, 0.0008783100000000 ] - [ -0.0001559600000000, 0.0009225700000000, -0.0015225100000000 ] - [ -0.0006154900000000, 0.0004321600000000, -0.0000306800000000 ] - [ -0.0006848200000000, 0.0003008400000000, 0.0002258600000000 ] - [ -0.0004009400000000, 0.0004956400000000, -0.0002702900000000 ] - [ -0.0006299000000000, 0.0004202400000000, -0.0000790600000000 ] - [ 0.0001970300000000, -0.0011957100000000, -0.0019824600000000 ] - [ -0.0005125000000000, -0.0007794900000000, -0.0006350300000000 ] - [ -0.0010898000000000, 0.0003397600000000, 0.0009178600000000 ] - [ -0.0007978400000000, 0.0003911600000000, 0.0005134300000000 ] - [ -0.0005767700000000, -0.0004539800000000, -0.0001183500000000 ] - [ -0.0005993400000000, -0.0004435400000000, -0.0000751500000000 ] - [ 0.0004682000000000, 0.0006905800000000, 0.0002613600000000 ] - [ 0.0001392000000000, 0.0031426400000000, 0.0025908600000000 ] - [ 0.0004706000000000, 0.0005249600000000, 0.0000982600000000 ] - [ 0.0008573300000000, 0.0002323200000000, -0.0003944000000000 ] - [ 0.0005644900000000, 0.0006783000000000, 0.0003421700000000 ] - [ 0.0004888000000000, 0.0005950300000000, 0.0003618500000000 ] - [ 0.0006247200000000, -0.0004353300000000, 0.0001631800000000 ] - [ 0.0001004900000000, -0.0007187500000000, 0.0011649500000000 ] - [ 0.0000581900000000, -0.0004184400000000, -0.0000982000000000 ] - [ 0.0016617900000000, 0.0006119400000000, -0.0024268800000000 ] - [ 0.0005554100000000, -0.0005037000000000, 0.0002421800000000 ] - [ 0.0005539100000000, -0.0005168200000000, 0.0002293700000000 ]- atom: 1 displacement: [ -0.0040808756811180, 0.0000000000000000, 0.0091294278941925 ] forces: - [ 0.0102890600000000, -0.0031467300000000, -0.0141831900000000 ] - [ -0.0005966100000000, -0.0006155200000000, -0.0001897200000000 ] - [ -0.0007093600000000, -0.0004797100000000, 0.0012276100000000 ] - [ -0.0002450800000000, -0.0003577800000000, 0.0000946700000000 ] - [ -0.0009945700000000, -0.0001214600000000, 0.0011732900000000 ] - [ 0.0000344200000000, -0.0002182700000000, 0.0002976900000000 ] - [ -0.0001111800000000, -0.0001201800000000, 0.0001223100000000 ] - [ -0.0001631700000000, 0.0000227000000000, 0.0000453100000000 ] - [ -0.0001000000000000, -0.0000288900000000, 0.0001987900000000 ] - [ -0.0001018000000000, -0.0000148200000000, 0.0001650800000000 ] - [ -0.0001783000000000, 0.0000585400000000, 0.0000407400000000 ] - [ -0.0001086400000000, 0.0000143600000000, 0.0000718300000000 ] - [ -0.0003609700000000, 0.0001627100000000, -0.0001340100000000 ] - [ -0.0003361500000000, 0.0004140000000000, -0.0000695100000000 ] - [ -0.0001821800000000, 0.0006277900000000, 0.0000242300000000 ] - [ -0.0003414900000000, 0.0004647800000000, 0.0000029000000000 ] - [ -0.0003696600000000, 0.0003802200000000, 0.0002882300000000 ] - [ -0.0001930200000000, 0.0003574200000000, 0.0002223300000000 ] - [ -0.0006494300000000, 0.0011507300000000, -0.0000524900000000 ] - [ -0.0002803700000000, -0.0000022700000000, 0.0001510200000000 ] - [ 0.0001997500000000, -0.0009498900000000, 0.0002302000000000 ] - [ -0.0001874900000000, -0.0000842700000000, -0.0000417800000000 ] - [ -0.0001776300000000, 0.0000080100000000, 0.0003725500000000 ] - [ 0.0000315500000000, 0.0000495200000000, 0.0002607700000000 ] - [ -0.0011720800000000, -0.0005023200000000, -0.0006008400000000 ] - [ 0.0002752600000000, -0.0001491700000000, -0.0009606700000000 ] - [ 0.0010162900000000, 0.0004169200000000, 0.0005750600000000 ] - [ -0.0000775500000000, 0.0000299100000000, 0.0002163300000000 ] - [ 0.0000864600000000, 0.0000311800000000, 0.0000795800000000 ] - [ 0.0002005000000000, 0.0001076900000000, 0.0003796500000000 ] - [ 0.0002803500000000, -0.0004350300000000, -0.0001790200000000 ] - [ 0.0002715000000000, -0.0003979600000000, -0.0001808300000000 ] - [ 0.0003182400000000, -0.0003895200000000, -0.0000298700000000 ] - [ 0.0002368800000000, -0.0003541000000000, -0.0000131200000000 ] - [ 0.0002882400000000, -0.0004301200000000, 0.0000509600000000 ] - [ 0.0003474800000000, -0.0005042600000000, 0.0000446300000000 ] - [ 0.0000181500000000, -0.0000755600000000, -0.0000750700000000 ] - [ 0.0003168400000000, -0.0004458800000000, -0.0001549600000000 ] - [ 0.0002064300000000, 0.0000538200000000, -0.0002220200000000 ] - [ 0.0000065700000000, 0.0003287200000000, -0.0002553900000000 ] - [ 0.0001553200000000, 0.0000324900000000, 0.0000146200000000 ] - [ 0.0000759700000000, -0.0000113100000000, 0.0001324800000000 ] - [ 0.0001558100000000, 0.0004700700000000, -0.0000615400000000 ] - [ 0.0011971700000000, 0.0013662600000000, 0.0002842600000000 ] - [ 0.0004823100000000, 0.0003143800000000, -0.0001900900000000 ] - [ -0.0003954100000000, -0.0003049500000000, -0.0003439300000000 ] - [ 0.0003605300000000, 0.0004212200000000, 0.0000699000000000 ] - [ 0.0002153500000000, 0.0004493500000000, 0.0001762600000000 ] - [ -0.0008651100000000, -0.0023740000000000, -0.0006271300000000 ] - [ -0.0002121800000000, 0.0005980000000000, 0.0004278500000000 ] - [ -0.0001225500000000, -0.0000553800000000, 0.0013912600000000 ] - [ 0.0001887800000000, -0.0000790200000000, 0.0012416000000000 ] - [ 0.0000755900000000, 0.0013295000000000, 0.0013260000000000 ] - [ 0.0000471600000000, 0.0002949200000000, 0.0010800900000000 ] - [ 0.0002412200000000, 0.0002063400000000, 0.0000510400000000 ] - [ -0.0001464800000000, -0.0002111200000000, 0.0008304100000000 ] - [ 0.0000243900000000, -0.0004611400000000, 0.0009655500000000 ] - [ 0.0000641900000000, -0.0001849000000000, 0.0007817400000000 ] - [ -0.0001863900000000, -0.0004133300000000, 0.0015286100000000 ] - [ 0.0000718900000000, -0.0003591900000000, 0.0012311400000000 ] - [ -0.0003108500000000, 0.0003022200000000, -0.0013909300000000 ] - [ 0.0018311000000000, 0.0013790800000000, -0.0044299100000000 ] - [ 0.0002170700000000, 0.0002156000000000, -0.0009445900000000 ] - [ -0.0008114600000000, 0.0008566800000000, 0.0002531200000000 ] - [ 0.0000892500000000, 0.0001000600000000, -0.0005088600000000 ] - [ -0.0004014000000000, -0.0012914200000000, 0.0003790100000000 ] - [ -0.0003524600000000, -0.0003298300000000, -0.0011078500000000 ] - [ 0.0029010800000000, -0.0064479100000000, 0.0025981800000000 ] - [ -0.0004914200000000, -0.0004212100000000, -0.0006537800000000 ] - [ -0.0065297400000000, 0.0074471000000000, -0.0009155800000000 ] - [ 0.0005800500000000, -0.0002426500000000, -0.0006185300000000 ] - [ -0.0003647900000000, -0.0000847100000000, 0.0000653900000000 ] - [ -0.0005905600000000, 0.0006431300000000, 0.0005251800000000 ] - [ -0.0002900900000000, 0.0007996400000000, 0.0006163700000000 ] - [ -0.0005721000000000, 0.0004890400000000, 0.0001189700000000 ] - [ -0.0005368100000000, 0.0006617700000000, 0.0002431700000000 ] - [ -0.0002657200000000, 0.0010819400000000, 0.0005293500000000 ] - [ -0.0005521800000000, 0.0008222600000000, 0.0003653800000000 ] - [ -0.0007269700000000, -0.0001339700000000, 0.0004557600000000 ] - [ 0.0000869200000000, -0.0000511100000000, -0.0006703700000000 ] - [ -0.0000531800000000, 0.0000096400000000, -0.0011783900000000 ] - [ -0.0003253100000000, -0.0001854600000000, -0.0010576500000000 ] - [ 0.0000999900000000, -0.0005982400000000, -0.0011913500000000 ] - [ -0.0003198600000000, -0.0003206000000000, -0.0008382400000000 ] - [ -0.0060081500000000, 0.0022866100000000, 0.0063344200000000 ] - [ -0.0004028800000000, -0.0009135500000000, 0.0007167200000000 ] - [ 0.0017442400000000, -0.0021273700000000, -0.0019545000000000 ] - [ -0.0003614300000000, -0.0005785600000000, 0.0003858800000000 ] - [ -0.0004041400000000, -0.0006940000000000, -0.0000092100000000 ] - [ -0.0007021000000000, -0.0006130800000000, -0.0000047000000000 ] - [ -0.0001832000000000, 0.0001745900000000, -0.0006591400000000 ] - [ -0.0001013700000000, 0.0001432300000000, -0.0008066700000000 ] - [ -0.0003145300000000, 0.0001918300000000, -0.0008366400000000 ] - [ -0.0001408700000000, 0.0001665300000000, -0.0008537800000000 ] - [ -0.0000951600000000, 0.0001711100000000, -0.0010793800000000 ] - [ -0.0002972800000000, 0.0002191800000000, -0.0009974000000000 ] - [ 0.0004861200000000, -0.0000737700000000, 0.0011350500000000 ] - [ 0.0002602100000000, -0.0002265900000000, 0.0013119100000000 ] - [ -0.0001411700000000, -0.0002575600000000, 0.0007947600000000 ] - [ 0.0004611900000000, -0.0003426600000000, 0.0007990400000000 ] - [ 0.0001767800000000, -0.0001627700000000, 0.0007441500000000 ] - [ -0.0000284600000000, 0.0000155600000000, 0.0005914600000000 ] - [ 0.0009048000000000, 0.0003692100000000, 0.0000760900000000 ] - [ 0.0004718200000000, 0.0006340000000000, 0.0013850800000000 ] - [ 0.0000948600000000, 0.0010623300000000, -0.0007087100000000 ] - [ 0.0006475500000000, 0.0011110700000000, -0.0007300200000000 ] - [ 0.0004638900000000, 0.0007722400000000, -0.0005591300000000 ] - [ 0.0003723300000000, 0.0003524900000000, -0.0009484400000000 ] - [ 0.0007633400000000, 0.0002996100000000, 0.0008281400000000 ] - [ -0.0017069600000000, -0.0000523500000000, 0.0003498700000000 ] - [ 0.0005232800000000, 0.0004256000000000, 0.0017685300000000 ] - [ 0.0015938700000000, 0.0003063900000000, 0.0013789400000000 ] - [ -0.0003453800000000, 0.0000086300000000, 0.0003926400000000 ] - [ 0.0002354900000000, 0.0001509300000000, 0.0006542600000000 ] - [ 0.0005427800000000, -0.0007010800000000, -0.0003402900000000 ] - [ 0.0004163700000000, -0.0006422000000000, -0.0002921400000000 ] - [ 0.0004316600000000, -0.0007334900000000, -0.0003448500000000 ] - [ 0.0005243500000000, -0.0008022900000000, -0.0003102100000000 ] - [ 0.0004004300000000, -0.0007861200000000, -0.0005298500000000 ] - [ 0.0004689600000000, -0.0007462200000000, -0.0005717700000000 ] - [ -0.0035864900000000, -0.0010950600000000, 0.0057196000000000 ] - [ -0.0004542400000000, 0.0003841900000000, 0.0000239400000000 ] - [ 0.0001174700000000, 0.0004357200000000, -0.0012509700000000 ] - [ -0.0006128500000000, 0.0004735700000000, -0.0001651700000000 ] - [ 0.0005166300000000, 0.0023575800000000, -0.0032679800000000 ] - [ -0.0006573400000000, 0.0006966600000000, -0.0005071200000000 ] - [ -0.0017154100000000, 0.0022298700000000, 0.0028099300000000 ] - [ -0.0005817600000000, -0.0002666000000000, 0.0000577600000000 ] - [ 0.0001057000000000, -0.0021912200000000, -0.0014645800000000 ] - [ -0.0003739400000000, -0.0005048400000000, -0.0002232900000000 ] - [ -0.0001903100000000, -0.0008827100000000, -0.0010179500000000 ] - [ -0.0005988000000000, -0.0007157700000000, -0.0005050700000000 ] - [ 0.0006141800000000, 0.0004432600000000, 0.0001990100000000 ] - [ 0.0004555800000000, 0.0010935600000000, 0.0008925200000000 ] - [ 0.0004637400000000, 0.0006328300000000, 0.0003559700000000 ] - [ 0.0005606300000000, 0.0006330500000000, 0.0002812900000000 ] - [ 0.0006185800000000, 0.0004093500000000, 0.0000015100000000 ] - [ 0.0006995700000000, 0.0000972000000000, -0.0003023400000000 ] - [ 0.0006482000000000, -0.0005762400000000, 0.0002135000000000 ] - [ 0.0002828500000000, -0.0015537400000000, 0.0004663100000000 ] - [ 0.0003714300000000, -0.0005848900000000, 0.0005193400000000 ] - [ 0.0006005500000000, 0.0000679400000000, 0.0006863300000000 ] - [ 0.0006289800000000, -0.0003472000000000, -0.0001273800000000 ] - [ 0.0008105000000000, -0.0002285400000000, -0.0004525600000000 ]- atom: 1 displacement: [ 0.0040808756811180, 0.0000000000000000, -0.0091294278941925 ] forces: - [ -0.0110557000000000, 0.0022592400000000, 0.0148636900000000 ] - [ -0.0000035700000000, -0.0001917000000000, 0.0003917300000000 ] - [ 0.0001387800000000, -0.0003522800000000, -0.0012320600000000 ] - [ -0.0003185000000000, -0.0004752500000000, -0.0001073300000000 ] - [ 0.0003985700000000, -0.0006994200000000, -0.0010421300000000 ] - [ -0.0006286600000000, -0.0006068900000000, -0.0001689500000000 ] - [ -0.0001128400000000, 0.0001289900000000, 0.0001107900000000 ] - [ -0.0000579800000000, -0.0000170800000000, 0.0001882700000000 ] - [ -0.0001600700000000, 0.0000518800000000, 0.0000290800000000 ] - [ -0.0001594700000000, 0.0000384600000000, 0.0000633400000000 ] - [ -0.0000775000000000, -0.0000527000000000, 0.0000656700000000 ] - [ -0.0001425900000000, -0.0000070400000000, 0.0000350800000000 ] - [ -0.0002038300000000, 0.0006707400000000, 0.0001200600000000 ] - [ -0.0002266100000000, 0.0004199400000000, 0.0000593200000000 ] - [ -0.0004126800000000, 0.0001919000000000, 0.0001041700000000 ] - [ -0.0002493200000000, 0.0003669900000000, 0.0001264500000000 ] - [ -0.0002180100000000, 0.0004481900000000, -0.0000854600000000 ] - [ -0.0003940000000000, 0.0004633400000000, -0.0000211700000000 ] - [ 0.0003902200000000, -0.0011811200000000, 0.0002857300000000 ] - [ 0.0000247100000000, -0.0000183400000000, 0.0000818600000000 ] - [ -0.0004493200000000, 0.0009370300000000, -0.0001252900000000 ] - [ -0.0000632300000000, 0.0000803100000000, 0.0001494100000000 ] - [ -0.0000428600000000, -0.0000127200000000, -0.0001394200000000 ] - [ -0.0002529900000000, -0.0000555900000000, -0.0000274100000000 ] - [ 0.0014018900000000, 0.0005124400000000, 0.0003694800000000 ] - [ -0.0000509300000000, 0.0001506200000000, 0.0007274400000000 ] - [ -0.0007594100000000, -0.0004055000000000, -0.0006794700000000 ] - [ 0.0003270900000000, -0.0000263000000000, -0.0003236700000000 ] - [ 0.0001724400000000, -0.0000076300000000, -0.0003090500000000 ] - [ 0.0000593100000000, -0.0000816200000000, -0.0006099300000000 ] - [ 0.0003049900000000, -0.0003969800000000, -0.0000245100000000 ] - [ 0.0003214300000000, -0.0004279900000000, -0.0000193600000000 ] - [ 0.0002744400000000, -0.0004384500000000, -0.0000995000000000 ] - [ 0.0003597300000000, -0.0004684200000000, -0.0001174300000000 ] - [ 0.0002848100000000, -0.0003903500000000, -0.0000391100000000 ] - [ 0.0002252300000000, -0.0003207300000000, -0.0000316800000000 ] - [ 0.0002279200000000, 0.0000651600000000, -0.0000332700000000 ] - [ -0.0000674800000000, 0.0004412600000000, 0.0000476300000000 ] - [ 0.0000519500000000, -0.0000769300000000, -0.0000073500000000 ] - [ 0.0002522000000000, -0.0003495400000000, 0.0000226300000000 ] - [ 0.0000667600000000, -0.0000374400000000, -0.0002492000000000 ] - [ 0.0001424600000000, 0.0000055300000000, -0.0003653400000000 ] - [ 0.0004305400000000, 0.0003724600000000, -0.0000669400000000 ] - [ -0.0006139000000000, -0.0005375800000000, -0.0004138700000000 ] - [ 0.0000829100000000, 0.0005128200000000, 0.0001988900000000 ] - [ 0.0009563200000000, 0.0011346500000000, 0.0003539200000000 ] - [ 0.0002316800000000, 0.0003980100000000, -0.0002718300000000 ] - [ 0.0003729500000000, 0.0003806600000000, -0.0003803400000000 ] - [ 0.0008854000000000, 0.0028886000000000, 0.0024561100000000 ] - [ 0.0002125000000000, -0.0000835600000000, 0.0014405200000000 ] - [ 0.0001197000000000, 0.0005393300000000, 0.0004796000000000 ] - [ -0.0001981500000000, 0.0005810200000000, 0.0006447800000000 ] - [ -0.0000963800000000, -0.0008095700000000, 0.0005635600000000 ] - [ -0.0000585900000000, 0.0002155900000000, 0.0007960500000000 ] - [ -0.0002572200000000, -0.0007027500000000, 0.0018497000000000 ] - [ 0.0001482500000000, -0.0002999100000000, 0.0010514900000000 ] - [ -0.0000429500000000, -0.0000610200000000, 0.0009304800000000 ] - [ -0.0000793300000000, -0.0003271500000000, 0.0010946300000000 ] - [ 0.0001909500000000, -0.0001002000000000, 0.0003319600000000 ] - [ -0.0000731900000000, -0.0001436000000000, 0.0006305500000000 ] - [ 0.0003108300000000, 0.0002064900000000, -0.0004586100000000 ] - [ -0.0018293200000000, -0.0008936600000000, 0.0025910900000000 ] - [ -0.0001897900000000, 0.0003072700000000, -0.0009558900000000 ] - [ 0.0008253000000000, -0.0003417500000000, -0.0021406000000000 ] - [ -0.0000819100000000, 0.0003948100000000, -0.0013693700000000 ] - [ 0.0004157000000000, 0.0017862000000000, -0.0022609500000000 ] - [ 0.0003759900000000, -0.0001866300000000, -0.0007851500000000 ] - [ -0.0028856500000000, 0.0059545300000000, -0.0045049000000000 ] - [ 0.0004847700000000, -0.0000711800000000, -0.0012289600000000 ] - [ 0.0064663400000000, -0.0078393100000000, -0.0009900200000000 ] - [ -0.0005825300000000, -0.0002632900000000, -0.0012312900000000 ] - [ 0.0003676500000000, -0.0004139200000000, -0.0019257900000000 ] - [ -0.0003347600000000, 0.0008591700000000, 0.0002775600000000 ] - [ -0.0006337600000000, 0.0006999300000000, 0.0001891100000000 ] - [ -0.0003553500000000, 0.0010093000000000, 0.0006990800000000 ] - [ -0.0003840100000000, 0.0008408200000000, 0.0005784500000000 ] - [ -0.0006502600000000, 0.0004208100000000, 0.0002768900000000 ] - [ -0.0003725800000000, 0.0006745300000000, 0.0004355900000000 ] - [ 0.0003659200000000, -0.0002054600000000, -0.0022321300000000 ] - [ -0.0004447700000000, -0.0002985400000000, -0.0010995000000000 ] - [ -0.0003067400000000, -0.0003606900000000, -0.0005962200000000 ] - [ -0.0000259100000000, -0.0001599800000000, -0.0007134900000000 ] - [ -0.0004630600000000, 0.0002471600000000, -0.0005847300000000 ] - [ -0.0000309200000000, -0.0000308500000000, -0.0009381500000000 ] - [ 0.0053292800000000, -0.0038079400000000, -0.0060423100000000 ] - [ -0.0005227800000000, -0.0005889200000000, 0.0001017000000000 ] - [ -0.0026673000000000, 0.0006145400000000, 0.0027952800000000 ] - [ -0.0005568700000000, -0.0009313100000000, 0.0004215700000000 ] - [ -0.0005181100000000, -0.0008034400000000, 0.0008078100000000 ] - [ -0.0002201600000000, -0.0008902200000000, 0.0008127100000000 ] - [ -0.0001908800000000, 0.0001841300000000, -0.0011198200000000 ] - [ -0.0002804200000000, 0.0002128000000000, -0.0009700500000000 ] - [ -0.0000409000000000, 0.0001584600000000, -0.0009378500000000 ] - [ -0.0002101000000000, 0.0001874200000000, -0.0009220600000000 ] - [ -0.0002623700000000, 0.0001772000000000, -0.0006931400000000 ] - [ -0.0000569800000000, 0.0001325200000000, -0.0007743500000000 ] - [ -0.0001401700000000, -0.0002734300000000, 0.0006295000000000 ] - [ 0.0000813200000000, -0.0001181200000000, 0.0004558400000000 ] - [ 0.0004766100000000, -0.0000917800000000, 0.0009772800000000 ] - [ -0.0001136200000000, -0.0000094500000000, 0.0009770300000000 ] - [ 0.0001765600000000, -0.0001889600000000, 0.0010290000000000 ] - [ 0.0003796900000000, -0.0003641500000000, 0.0011790000000000 ] - [ 0.0000218300000000, 0.0011203000000000, -0.0008747000000000 ] - [ 0.0004641200000000, 0.0008600900000000, -0.0021783900000000 ] - [ 0.0008239700000000, 0.0004393700000000, -0.0000953400000000 ] - [ 0.0002788300000000, 0.0003906400000000, -0.0000666200000000 ] - [ 0.0004666100000000, 0.0007241100000000, -0.0002560400000000 ] - [ 0.0005573600000000, 0.0011315400000000, 0.0001400900000000 ] - [ -0.0004219700000000, 0.0000500300000000, 0.0009469600000000 ] - [ 0.0020576600000000, 0.0004049700000000, 0.0014273100000000 ] - [ -0.0001941200000000, -0.0000882400000000, -0.0000127900000000 ] - [ -0.0012359000000000, 0.0000428400000000, 0.0003985700000000 ] - [ 0.0006829200000000, 0.0003377200000000, 0.0013726800000000 ] - [ 0.0001112900000000, 0.0001981200000000, 0.0011171500000000 ] - [ 0.0003957900000000, -0.0007745800000000, -0.0004464600000000 ] - [ 0.0005146900000000, -0.0008455100000000, -0.0004962800000000 ] - [ 0.0005011500000000, -0.0007629600000000, -0.0004635100000000 ] - [ 0.0004025300000000, -0.0006907200000000, -0.0005056100000000 ] - [ 0.0005260000000000, -0.0007074500000000, -0.0002666300000000 ] - [ 0.0004647400000000, -0.0007468800000000, -0.0002218300000000 ] - [ 0.0024546500000000, 0.0020702600000000, -0.0060848700000000 ] - [ -0.0006763300000000, 0.0006064900000000, -0.0003989600000000 ] - [ -0.0012539000000000, 0.0005958100000000, 0.0008781200000000 ] - [ -0.0005104200000000, 0.0005051800000000, -0.0002041800000000 ] - [ -0.0016154000000000, -0.0013893300000000, 0.0028463900000000 ] - [ -0.0004540700000000, 0.0003177100000000, 0.0000876500000000 ] - [ 0.0005974500000000, -0.0032314600000000, -0.0031955200000000 ] - [ -0.0005404700000000, -0.0007248200000000, -0.0004360400000000 ] - [ -0.0012271900000000, 0.0011935200000000, 0.0010685100000000 ] - [ -0.0007405400000000, -0.0005203000000000, -0.0001892400000000 ] - [ -0.0009274700000000, -0.0001277900000000, 0.0006158400000000 ] - [ -0.0005280500000000, -0.0002800800000000, 0.0001232700000000 ] - [ 0.0005333700000000, 0.0005692800000000, 0.0001642300000000 ] - [ 0.0006754900000000, -0.0001196500000000, -0.0005229800000000 ] - [ 0.0006441500000000, 0.0003623500000000, 0.0000690600000000 ] - [ 0.0005670400000000, 0.0003658100000000, 0.0001109900000000 ] - [ 0.0005063100000000, 0.0005870800000000, 0.0003808200000000 ] - [ 0.0004326400000000, 0.0009235400000000, 0.0006798500000000 ] - [ 0.0004584200000000, -0.0004449500000000, 0.0002233600000000 ] - [ 0.0008593800000000, 0.0005455500000000, -0.0000885100000000 ] - [ 0.0007857100000000, -0.0004382700000000, -0.0001724500000000 ] - [ 0.0005033700000000, -0.0010629500000000, -0.0002699100000000 ] - [ 0.0005041700000000, -0.0006437200000000, 0.0005024300000000 ] - [ 0.0003013500000000, -0.0007695600000000, 0.0008614100000000 ]- atom: 7 displacement: [ 0.0099999774088725, 0.0000000000000000, -0.0000212561059198 ] forces: - [ -0.0003538200000000, -0.0004380600000000, 0.0000750200000000 ] - [ -0.0001681300000000, -0.0003038300000000, 0.0001018900000000 ] - [ -0.0002792400000000, -0.0004678300000000, -0.0000596100000000 ] - [ -0.0002714200000000, -0.0003733200000000, 0.0000181700000000 ] - [ -0.0003234800000000, -0.0003706300000000, 0.0000847900000000 ] - [ -0.0002605600000000, -0.0004042200000000, 0.0001122900000000 ] - [ -0.0142953600000000, 0.0034086300000000, -0.0029657400000000 ] - [ 0.0003725000000000, -0.0001059600000000, -0.0000532400000000 ] - [ 0.0000391600000000, 0.0000990100000000, -0.0005270400000000 ] - [ -0.0001184400000000, -0.0000382300000000, 0.0004889300000000 ] - [ 0.0000417400000000, -0.0000168700000000, -0.0000423600000000 ] - [ -0.0001160800000000, 0.0000153500000000, 0.0000896600000000 ] - [ -0.0006199800000000, 0.0000737600000000, 0.0002006300000000 ] - [ -0.0000579700000000, 0.0003707400000000, 0.0000259500000000 ] - [ -0.0001496700000000, 0.0010494500000000, -0.0004380900000000 ] - [ 0.0004797600000000, -0.0004027200000000, 0.0002422500000000 ] - [ -0.0002457400000000, 0.0003896900000000, 0.0000475500000000 ] - [ -0.0003775300000000, 0.0004445900000000, 0.0002186900000000 ] - [ -0.0003176500000000, 0.0003289700000000, 0.0000950700000000 ] - [ 0.0001048300000000, 0.0000090500000000, 0.0000877100000000 ] - [ -0.0003134200000000, -0.0004636400000000, -0.0001032100000000 ] - [ 0.0001101900000000, 0.0004180900000000, 0.0001571700000000 ] - [ -0.0000821800000000, 0.0000039300000000, 0.0000320600000000 ] - [ -0.0001424800000000, -0.0000104600000000, 0.0002146700000000 ] - [ -0.0000023700000000, 0.0000032300000000, -0.0001607900000000 ] - [ 0.0002495100000000, 0.0000612300000000, -0.0000545900000000 ] - [ 0.0000267500000000, -0.0000322800000000, -0.0001069900000000 ] - [ 0.0002227200000000, -0.0000125400000000, -0.0000862400000000 ] - [ 0.0001265900000000, 0.0000094700000000, -0.0001137800000000 ] - [ 0.0001278900000000, 0.0000299300000000, -0.0000460300000000 ] - [ 0.0011991600000000, -0.0008178600000000, -0.0011132000000000 ] - [ 0.0012750500000000, -0.0000097600000000, 0.0005158200000000 ] - [ -0.0006122300000000, -0.0003952000000000, 0.0005016800000000 ] - [ 0.0008051500000000, -0.0004851000000000, -0.0000606600000000 ] - [ 0.0003221700000000, -0.0004196100000000, -0.0000258200000000 ] - [ 0.0002268600000000, -0.0004231800000000, 0.0000551800000000 ] - [ 0.0001479700000000, -0.0000090400000000, -0.0001232400000000 ] - [ 0.0000981800000000, -0.0000584500000000, 0.0001485000000000 ] - [ -0.0006844200000000, -0.0008011100000000, -0.0004203500000000 ] - [ 0.0003937100000000, 0.0001095200000000, -0.0001739600000000 ] - [ 0.0000391500000000, 0.0000435300000000, -0.0000845000000000 ] - [ 0.0002228100000000, -0.0000491300000000, -0.0000943000000000 ] - [ 0.0003563500000000, 0.0004408200000000, -0.0001506100000000 ] - [ 0.0002147700000000, 0.0004499900000000, 0.0001118600000000 ] - [ -0.0001031900000000, 0.0007490400000000, -0.0000826100000000 ] - [ 0.0005376100000000, 0.0003299900000000, -0.0000127700000000 ] - [ 0.0002053200000000, 0.0003883900000000, -0.0000934300000000 ] - [ 0.0003889900000000, 0.0004376700000000, -0.0000962300000000 ] - [ 0.0022876900000000, -0.0077509800000000, 0.0002740400000000 ] - [ 0.0015880400000000, 0.0010712000000000, -0.0006019200000000 ] - [ 0.0004620800000000, -0.0003302600000000, 0.0005369800000000 ] - [ -0.0005518900000000, 0.0013404600000000, 0.0017346800000000 ] - [ -0.0002564600000000, 0.0005749700000000, 0.0007280500000000 ] - [ 0.0001473700000000, 0.0002900800000000, 0.0009061400000000 ] - [ -0.0054315800000000, -0.0001631100000000, 0.0079024300000000 ] - [ 0.0007134500000000, -0.0003188400000000, 0.0003496200000000 ] - [ 0.0031036300000000, -0.0008060000000000, 0.0001359000000000 ] - [ 0.0033618100000000, 0.0041446900000000, 0.0045667200000000 ] - [ 0.0002265500000000, -0.0000402000000000, 0.0008000600000000 ] - [ -0.0001888800000000, -0.0005723800000000, 0.0010540900000000 ] - [ 0.0001679100000000, 0.0001134300000000, -0.0011651900000000 ] - [ 0.0013517000000000, 0.0014437100000000, 0.0002310800000000 ] - [ -0.0004386700000000, -0.0006327300000000, -0.0005735800000000 ] - [ 0.0003906000000000, 0.0004859200000000, -0.0010927800000000 ] - [ 0.0000049700000000, 0.0003428400000000, -0.0008298200000000 ] - [ -0.0000173600000000, 0.0000455300000000, -0.0009069400000000 ] - [ 0.0001667600000000, -0.0003891700000000, -0.0009632500000000 ] - [ -0.0002172500000000, 0.0001610200000000, -0.0005323100000000 ] - [ -0.0002548300000000, -0.0005910000000000, -0.0012361700000000 ] - [ 0.0004285000000000, -0.0000611400000000, -0.0015436900000000 ] - [ -0.0001691300000000, -0.0002579200000000, -0.0007269600000000 ] - [ 0.0001526400000000, -0.0002647300000000, -0.0010039600000000 ] - [ 0.0004535600000000, 0.0019348400000000, 0.0000631000000000 ] - [ -0.0008042200000000, 0.0009871200000000, 0.0006315300000000 ] - [ -0.0005882500000000, 0.0004633700000000, 0.0004788100000000 ] - [ -0.0004394000000000, 0.0011822900000000, 0.0000019400000000 ] - [ -0.0004023800000000, 0.0008696100000000, 0.0004765000000000 ] - [ -0.0005221800000000, 0.0007249900000000, 0.0003124800000000 ] - [ 0.0029883300000000, 0.0008578800000000, -0.0005593200000000 ] - [ -0.0007980500000000, -0.0003758800000000, -0.0008564300000000 ] - [ -0.0003109500000000, -0.0000510900000000, -0.0007247300000000 ] - [ -0.0002107400000000, -0.0003196300000000, -0.0010799900000000 ] - [ -0.0001703600000000, -0.0002660000000000, -0.0008268700000000 ] - [ -0.0002702900000000, -0.0002068700000000, -0.0009763600000000 ] - [ -0.0003046600000000, -0.0008166800000000, 0.0004019600000000 ] - [ -0.0006394400000000, -0.0007397000000000, 0.0003547500000000 ] - [ -0.0003267000000000, -0.0007954500000000, 0.0005361600000000 ] - [ -0.0005083800000000, -0.0008992600000000, 0.0004031500000000 ] - [ -0.0004873100000000, -0.0007082400000000, 0.0004146400000000 ] - [ -0.0004536300000000, -0.0007735700000000, 0.0003321200000000 ] - [ 0.0045548000000000, -0.0003065400000000, -0.0014746400000000 ] - [ -0.0007392900000000, 0.0002904800000000, -0.0010129100000000 ] - [ -0.0007707000000000, 0.0004190900000000, 0.0000755300000000 ] - [ -0.0021246800000000, 0.0002701100000000, -0.0013806100000000 ] - [ -0.0002866000000000, 0.0001741300000000, -0.0008071200000000 ] - [ -0.0000999300000000, 0.0001878700000000, -0.0009843800000000 ] - [ 0.0001749500000000, 0.0000317400000000, 0.0010679900000000 ] - [ -0.0007256200000000, -0.0000143100000000, 0.0006782000000000 ] - [ 0.0007993900000000, -0.0000601300000000, 0.0008229800000000 ] - [ -0.0002615400000000, -0.0000536000000000, 0.0008997600000000 ] - [ 0.0001675700000000, -0.0001821600000000, 0.0009010000000000 ] - [ 0.0001687600000000, -0.0001429900000000, 0.0008022600000000 ] - [ 0.0006196600000000, 0.0003705800000000, -0.0001296100000000 ] - [ 0.0001563500000000, 0.0013413200000000, -0.0006337500000000 ] - [ 0.0007793000000000, 0.0005245100000000, -0.0002097800000000 ] - [ 0.0002027500000000, 0.0008561200000000, -0.0005230500000000 ] - [ 0.0004597300000000, 0.0007612800000000, -0.0004003000000000 ] - [ 0.0004987100000000, 0.0006649000000000, -0.0004333400000000 ] - [ 0.0001106000000000, 0.0001763300000000, 0.0009263700000000 ] - [ 0.0001788000000000, 0.0001332700000000, 0.0007438100000000 ] - [ 0.0006186700000000, 0.0003247900000000, 0.0009908100000000 ] - [ -0.0000987700000000, 0.0001226900000000, 0.0009559400000000 ] - [ 0.0002814300000000, 0.0002117600000000, 0.0008646200000000 ] - [ 0.0000584100000000, 0.0001541800000000, 0.0008719200000000 ] - [ 0.0004328800000000, -0.0007381200000000, -0.0003245900000000 ] - [ 0.0007284600000000, -0.0005697600000000, -0.0006730300000000 ] - [ 0.0059104600000000, -0.0059404800000000, 0.0005665600000000 ] - [ -0.0003892600000000, -0.0011983800000000, -0.0003908400000000 ] - [ 0.0007124100000000, -0.0006948600000000, -0.0001954700000000 ] - [ 0.0003123600000000, -0.0007887500000000, -0.0005510600000000 ] - [ -0.0008563100000000, -0.0001983000000000, 0.0004125800000000 ] - [ -0.0006504600000000, 0.0005112100000000, -0.0002042500000000 ] - [ -0.0006533500000000, 0.0004310300000000, -0.0000616000000000 ] - [ -0.0004415800000000, 0.0007087700000000, -0.0004074800000000 ] - [ -0.0004281500000000, 0.0006371700000000, -0.0004928800000000 ] - [ -0.0005943800000000, 0.0004816600000000, -0.0001940300000000 ] - [ -0.0001179500000000, -0.0009174900000000, -0.0010612500000000 ] - [ -0.0007824400000000, -0.0003675400000000, 0.0000879100000000 ] - [ -0.0006959800000000, -0.0005843600000000, 0.0001492700000000 ] - [ -0.0006777500000000, 0.0004637900000000, -0.0002165000000000 ] - [ -0.0006189900000000, -0.0004727800000000, -0.0001336200000000 ] - [ -0.0004705300000000, -0.0005502600000000, -0.0003334400000000 ] - [ -0.0001703500000000, 0.0005531800000000, 0.0011246800000000 ] - [ -0.0015892800000000, 0.0043350300000000, -0.0062038400000000 ] - [ 0.0015980000000000, -0.0005518500000000, -0.0019044500000000 ] - [ -0.0003195400000000, 0.0011322700000000, 0.0014822700000000 ] - [ 0.0005519300000000, 0.0004721100000000, 0.0001516800000000 ] - [ 0.0005607000000000, 0.0005118900000000, 0.0004141700000000 ] - [ 0.0004387000000000, -0.0005574600000000, 0.0003436300000000 ] - [ 0.0010178100000000, -0.0006771600000000, -0.0000433400000000 ] - [ -0.0006319700000000, -0.0025107000000000, 0.0018610900000000 ] - [ 0.0002623800000000, 0.0001224600000000, 0.0001483300000000 ] - [ 0.0008286300000000, -0.0002821800000000, -0.0002370300000000 ] - [ 0.0003386800000000, -0.0006737200000000, 0.0005120000000000 ]- atom: 7 displacement: [ -0.0099999774088725, 0.0000000000000000, 0.0000212561059198 ] forces: - [ -0.0002373700000000, -0.0003823800000000, 0.0001243800000000 ] - [ -0.0004293500000000, -0.0005013000000000, 0.0000993500000000 ] - [ -0.0002877600000000, -0.0003600000000000, 0.0000457000000000 ] - [ -0.0002932600000000, -0.0004602900000000, -0.0000292600000000 ] - [ -0.0002705800000000, -0.0004505300000000, 0.0000430300000000 ] - [ -0.0003291900000000, -0.0004186900000000, 0.0000168100000000 ] - [ 0.0138030700000000, -0.0031989600000000, 0.0030570600000000 ] - [ -0.0005943000000000, 0.0001131400000000, 0.0002859300000000 ] - [ -0.0003003000000000, -0.0000742000000000, 0.0007546000000000 ] - [ -0.0001431200000000, 0.0000595500000000, -0.0002598900000000 ] - [ -0.0002986300000000, 0.0000227000000000, 0.0001508000000000 ] - [ -0.0001385400000000, -0.0000061200000000, 0.0000130700000000 ] - [ 0.0000502700000000, 0.0007532300000000, -0.0002121900000000 ] - [ -0.0005045100000000, 0.0004651300000000, -0.0000369400000000 ] - [ -0.0004461600000000, -0.0002328400000000, 0.0005680000000000 ] - [ -0.0010689200000000, 0.0012291600000000, -0.0001144800000000 ] - [ -0.0003422500000000, 0.0004387400000000, 0.0001544700000000 ] - [ -0.0002096400000000, 0.0003760000000000, -0.0000168600000000 ] - [ 0.0000555800000000, -0.0003535000000000, 0.0001372000000000 ] - [ -0.0003653000000000, -0.0000305100000000, 0.0001407300000000 ] - [ 0.0000623900000000, 0.0004584000000000, 0.0002069400000000 ] - [ -0.0003595600000000, -0.0004220600000000, -0.0000478300000000 ] - [ -0.0001386300000000, -0.0000075000000000, 0.0002006000000000 ] - [ -0.0000817900000000, 0.0000044400000000, 0.0000165300000000 ] - [ 0.0002185500000000, 0.0000064400000000, -0.0000767200000000 ] - [ -0.0000273700000000, -0.0000549900000000, -0.0001801500000000 ] - [ 0.0002239600000000, 0.0000371300000000, -0.0000000300000000 ] - [ 0.0000279000000000, 0.0000165000000000, -0.0000219900000000 ] - [ 0.0001331600000000, 0.0000124300000000, -0.0001165400000000 ] - [ 0.0001331900000000, -0.0000024000000000, -0.0001825300000000 ] - [ -0.0006006500000000, -0.0000220200000000, 0.0009001000000000 ] - [ -0.0006916200000000, -0.0008262400000000, -0.0007243300000000 ] - [ 0.0012037600000000, -0.0004331400000000, -0.0006308000000000 ] - [ -0.0002083500000000, -0.0003381000000000, -0.0000688200000000 ] - [ 0.0002530900000000, -0.0004005500000000, 0.0000369700000000 ] - [ 0.0003452600000000, -0.0004020500000000, -0.0000448900000000 ] - [ 0.0000976500000000, -0.0000008800000000, 0.0000135500000000 ] - [ 0.0001527100000000, 0.0000491600000000, -0.0002553500000000 ] - [ 0.0009382500000000, 0.0007791400000000, 0.0001898300000000 ] - [ -0.0001381400000000, -0.0001391400000000, -0.0000610800000000 ] - [ 0.0001824400000000, -0.0000483800000000, -0.0001509700000000 ] - [ -0.0000056800000000, 0.0000447200000000, -0.0001396400000000 ] - [ 0.0002281000000000, 0.0004020600000000, 0.0000208800000000 ] - [ 0.0003735500000000, 0.0003849100000000, -0.0002390800000000 ] - [ 0.0006697300000000, 0.0000761500000000, 0.0000934900000000 ] - [ 0.0000267400000000, 0.0005040400000000, 0.0000282900000000 ] - [ 0.0003843800000000, 0.0004293600000000, -0.0001090100000000 ] - [ 0.0001960000000000, 0.0003934700000000, -0.0001077700000000 ] - [ -0.0022986300000000, 0.0083384000000000, 0.0015709800000000 ] - [ -0.0015754600000000, -0.0005499400000000, 0.0024580300000000 ] - [ -0.0004644300000000, 0.0008128700000000, 0.0013311400000000 ] - [ 0.0005424900000000, -0.0008302400000000, 0.0001524600000000 ] - [ 0.0002376000000000, -0.0000520800000000, 0.0011586300000000 ] - [ -0.0001602000000000, 0.0002227100000000, 0.0009671700000000 ] - [ 0.0054511800000000, -0.0003328400000000, -0.0060250500000000 ] - [ -0.0007135200000000, -0.0001946300000000, 0.0015237400000000 ] - [ -0.0031225600000000, 0.0002864500000000, 0.0017793700000000 ] - [ -0.0033547900000000, -0.0046642200000000, -0.0026705500000000 ] - [ -0.0002195300000000, -0.0004704900000000, 0.0010571000000000 ] - [ 0.0001876800000000, 0.0000709400000000, 0.0008029400000000 ] - [ -0.0001676100000000, 0.0004002600000000, -0.0006841000000000 ] - [ -0.0013475900000000, -0.0009448100000000, -0.0020907000000000 ] - [ 0.0004607600000000, 0.0011560900000000, -0.0013174400000000 ] - [ -0.0003702700000000, 0.0000208200000000, -0.0007981200000000 ] - [ 0.0000032400000000, 0.0001512400000000, -0.0010466200000000 ] - [ 0.0000306100000000, 0.0004444900000000, -0.0009721000000000 ] - [ -0.0001446200000000, -0.0001288000000000, -0.0009303300000000 ] - [ 0.0002403600000000, -0.0006610200000000, -0.0013538200000000 ] - [ 0.0002570300000000, 0.0000997000000000, -0.0006460600000000 ] - [ -0.0004120100000000, -0.0004318400000000, -0.0003438800000000 ] - [ 0.0001635200000000, -0.0002483600000000, -0.0011203300000000 ] - [ -0.0001477900000000, -0.0002341400000000, -0.0008593500000000 ] - [ -0.0013809300000000, -0.0004727300000000, 0.0007300600000000 ] - [ -0.0001204700000000, 0.0005123800000000, 0.0001734900000000 ] - [ -0.0003399600000000, 0.0010359100000000, 0.0003388200000000 ] - [ -0.0004825200000000, 0.0003217500000000, 0.0008162200000000 ] - [ -0.0005136100000000, 0.0006320800000000, 0.0003296600000000 ] - [ -0.0004027200000000, 0.0007732400000000, 0.0004880600000000 ] - [ -0.0033653900000000, -0.0012261300000000, -0.0012174800000000 ] - [ 0.0004387200000000, 0.0000246100000000, -0.0009151100000000 ] - [ -0.0000510000000000, -0.0003033900000000, -0.0010496100000000 ] - [ -0.0001411500000000, -0.0000277300000000, -0.0006932300000000 ] - [ -0.0001930800000000, -0.0000857400000000, -0.0009509100000000 ] - [ -0.0000808100000000, -0.0001470300000000, -0.0007991700000000 ] - [ -0.0006205800000000, -0.0006902900000000, 0.0004172600000000 ] - [ -0.0002861100000000, -0.0007642900000000, 0.0004651000000000 ] - [ -0.0005915200000000, -0.0007045100000000, 0.0002708000000000 ] - [ -0.0004129900000000, -0.0006080000000000, 0.0004002700000000 ] - [ -0.0004345500000000, -0.0007886700000000, 0.0003835700000000 ] - [ -0.0004689800000000, -0.0007303900000000, 0.0004742300000000 ] - [ -0.0049193400000000, 0.0006651800000000, -0.0003382100000000 ] - [ 0.0003604500000000, 0.0000671600000000, -0.0007626300000000 ] - [ 0.0003890600000000, -0.0000657600000000, -0.0018394400000000 ] - [ 0.0017737800000000, 0.0000882800000000, -0.0003950700000000 ] - [ -0.0000707200000000, 0.0001742200000000, -0.0009658000000000 ] - [ -0.0002557100000000, 0.0001647900000000, -0.0007887700000000 ] - [ 0.0001721200000000, -0.0003788900000000, 0.0006988600000000 ] - [ 0.0010670100000000, -0.0003303000000000, 0.0010923400000000 ] - [ -0.0004602400000000, -0.0002877000000000, 0.0009472300000000 ] - [ 0.0006071200000000, -0.0002977300000000, 0.0008748100000000 ] - [ 0.0001853100000000, -0.0001692800000000, 0.0008724200000000 ] - [ 0.0001830000000000, -0.0002057200000000, 0.0009684600000000 ] - [ 0.0003096600000000, 0.0011150600000000, -0.0006638200000000 ] - [ 0.0007709500000000, 0.0001439500000000, -0.0001647300000000 ] - [ 0.0001427800000000, 0.0009746300000000, -0.0005939700000000 ] - [ 0.0007219800000000, 0.0006417400000000, -0.0002721400000000 ] - [ 0.0004719600000000, 0.0007329500000000, -0.0004144300000000 ] - [ 0.0004309600000000, 0.0008178300000000, -0.0003744600000000 ] - [ 0.0002323600000000, 0.0001746200000000, 0.0008490600000000 ] - [ 0.0001631800000000, 0.0002196300000000, 0.0010317000000000 ] - [ -0.0002683700000000, 0.0000295000000000, 0.0007854600000000 ] - [ 0.0004487400000000, 0.0002266000000000, 0.0008181800000000 ] - [ 0.0000590600000000, 0.0001358400000000, 0.0009032300000000 ] - [ 0.0002865400000000, 0.0001948800000000, 0.0008984500000000 ] - [ 0.0005077600000000, -0.0007365100000000, -0.0004612100000000 ] - [ 0.0002042700000000, -0.0009132100000000, -0.0001109000000000 ] - [ -0.0046823500000000, 0.0042610900000000, -0.0012181300000000 ] - [ 0.0013196900000000, -0.0002920600000000, -0.0004290600000000 ] - [ 0.0002141900000000, -0.0007970000000000, -0.0006021200000000 ] - [ 0.0006205700000000, -0.0007023800000000, -0.0002435700000000 ] - [ -0.0002691800000000, 0.0011683800000000, -0.0007906000000000 ] - [ -0.0004810300000000, 0.0004791700000000, -0.0001688600000000 ] - [ -0.0004868100000000, 0.0006042100000000, -0.0003105800000000 ] - [ -0.0006811100000000, 0.0002719000000000, 0.0000349200000000 ] - [ -0.0006625800000000, 0.0003359800000000, 0.0000562000000000 ] - [ -0.0005182700000000, 0.0005277900000000, -0.0002236900000000 ] - [ -0.0009976500000000, -0.0000670000000000, 0.0006781800000000 ] - [ -0.0003417600000000, -0.0006235100000000, -0.0004634500000000 ] - [ -0.0004327700000000, -0.0004088400000000, -0.0005395400000000 ] - [ -0.0004375400000000, -0.0014877100000000, -0.0002014100000000 ] - [ -0.0005021400000000, -0.0005328100000000, -0.0002631500000000 ] - [ -0.0006558000000000, -0.0004452000000000, -0.0000505700000000 ] - [ 0.0013122400000000, 0.0004567800000000, -0.0007562300000000 ] - [ 0.0027017900000000, -0.0033873900000000, 0.0066195400000000 ] - [ -0.0004885300000000, 0.0015402800000000, 0.0023237800000000 ] - [ 0.0014522900000000, -0.0001321700000000, -0.0010999800000000 ] - [ 0.0005735700000000, 0.0005256700000000, 0.0002304500000000 ] - [ 0.0005708400000000, 0.0005046600000000, -0.0000386200000000 ] - [ 0.0006679800000000, -0.0004625700000000, 0.0000940700000000 ] - [ 0.0001214800000000, -0.0003403800000000, 0.0004249600000000 ] - [ 0.0017759500000000, 0.0014855900000000, -0.0015127500000000 ] - [ 0.0008406300000000, -0.0011261300000000, 0.0002656700000000 ] - [ 0.0003049500000000, -0.0007112700000000, 0.0006127000000000 ] - [ 0.0007711700000000, -0.0003276800000000, -0.0000990800000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004514200000000, 0.0011549600000000, -0.0001057300000000 ] - [ -0.0002556600000000, -0.0002729900000000, 0.0001432800000000 ] - [ -0.0002944800000000, -0.0004100800000000, 0.0000513300000000 ] - [ -0.0002533800000000, -0.0003591700000000, 0.0000199800000000 ] - [ -0.0002791000000000, -0.0003835400000000, 0.0000266600000000 ] - [ -0.0002663500000000, -0.0003548800000000, 0.0000482500000000 ] - [ 0.0032585700000000, -0.0151087500000000, 0.0009617100000000 ] - [ -0.0002205000000000, -0.0001517400000000, 0.0002733600000000 ] - [ -0.0001493500000000, 0.0000699000000000, 0.0001950400000000 ] - [ -0.0001219900000000, -0.0000117500000000, -0.0000425600000000 ] - [ -0.0000438000000000, 0.0000602200000000, -0.0000949000000000 ] - [ -0.0001769400000000, -0.0000175400000000, -0.0000185800000000 ] - [ -0.0006443700000000, -0.0000150500000000, 0.0008625300000000 ] - [ -0.0000228400000000, 0.0001907500000000, 0.0002001700000000 ] - [ 0.0002981300000000, 0.0004282600000000, -0.0009418400000000 ] - [ -0.0004135200000000, 0.0007870300000000, 0.0000041500000000 ] - [ -0.0002912900000000, 0.0004215100000000, 0.0000898100000000 ] - [ -0.0002833300000000, 0.0003896700000000, 0.0000465700000000 ] - [ 0.0003286900000000, 0.0002054700000000, -0.0009285300000000 ] - [ -0.0005529500000000, -0.0001874800000000, -0.0000999500000000 ] - [ -0.0004670800000000, 0.0002139400000000, 0.0012138000000000 ] - [ -0.0001441800000000, -0.0001797300000000, 0.0001363700000000 ] - [ -0.0001158200000000, -0.0000061800000000, 0.0000996300000000 ] - [ -0.0001055600000000, -0.0000008200000000, 0.0000642100000000 ] - [ 0.0001138600000000, 0.0001951100000000, -0.0001349800000000 ] - [ 0.0000513200000000, 0.0008141200000000, -0.0001501300000000 ] - [ 0.0001603300000000, 0.0001742900000000, -0.0000070000000000 ] - [ 0.0001403900000000, 0.0000487100000000, -0.0000656300000000 ] - [ 0.0001304400000000, 0.0000334400000000, -0.0001206700000000 ] - [ 0.0001159500000000, 0.0000242300000000, -0.0000924700000000 ] - [ 0.0000888100000000, -0.0006681200000000, 0.0003630900000000 ] - [ 0.0007315400000000, -0.0016015200000000, 0.0002590800000000 ] - [ 0.0005059100000000, -0.0004824800000000, -0.0004225200000000 ] - [ 0.0001548500000000, -0.0003821900000000, -0.0001600500000000 ] - [ 0.0002986500000000, -0.0004383000000000, -0.0000092900000000 ] - [ 0.0003032600000000, -0.0004162100000000, -0.0000889100000000 ] - [ 0.0001187900000000, -0.0000390900000000, 0.0000509700000000 ] - [ 0.0000742800000000, -0.0001755400000000, 0.0002832200000000 ] - [ -0.0006592900000000, 0.0009854100000000, -0.0005065800000000 ] - [ 0.0002527500000000, 0.0000280300000000, -0.0003922200000000 ] - [ 0.0001569200000000, -0.0000102400000000, -0.0001890900000000 ] - [ 0.0000626600000000, 0.0000259200000000, -0.0001601200000000 ] - [ 0.0003148000000000, 0.0004412400000000, -0.0001323300000000 ] - [ 0.0004034800000000, 0.0005217500000000, -0.0005022900000000 ] - [ 0.0011795600000000, 0.0008888600000000, 0.0004767100000000 ] - [ 0.0000246500000000, 0.0006742300000000, 0.0002632700000000 ] - [ 0.0002820400000000, 0.0004302900000000, -0.0000681900000000 ] - [ 0.0002851300000000, 0.0004157500000000, -0.0001140700000000 ] - [ -0.0090682900000000, 0.0019575300000000, -0.0006097300000000 ] - [ 0.0002494000000000, -0.0001369600000000, 0.0013236000000000 ] - [ -0.0000964300000000, 0.0002345400000000, 0.0010597000000000 ] - [ 0.0003203900000000, -0.0006073300000000, 0.0008610600000000 ] - [ 0.0002261900000000, 0.0002840100000000, 0.0005766600000000 ] - [ -0.0001854900000000, 0.0001880700000000, 0.0009007700000000 ] - [ 0.0008884800000000, -0.0023786900000000, -0.0027811900000000 ] - [ 0.0000065700000000, -0.0003705100000000, 0.0009394600000000 ] - [ -0.0006494300000000, -0.0015245800000000, 0.0016036900000000 ] - [ 0.0001144800000000, -0.0036342800000000, 0.0002835000000000 ] - [ -0.0000113000000000, -0.0003812200000000, 0.0008121000000000 ] - [ 0.0000113700000000, -0.0003366100000000, 0.0008177800000000 ] - [ -0.0001722000000000, 0.0005869700000000, -0.0008951700000000 ] - [ 0.0016285000000000, 0.0037431900000000, 0.0017568300000000 ] - [ -0.0004039000000000, 0.0006627100000000, -0.0008800800000000 ] - [ 0.0000034100000000, 0.0002633500000000, -0.0012594300000000 ] - [ 0.0000728500000000, 0.0003519400000000, -0.0009417700000000 ] - [ -0.0000729700000000, 0.0002254500000000, -0.0008696700000000 ] - [ 0.0000374700000000, 0.0001672100000000, -0.0008809100000000 ] - [ -0.0004410800000000, 0.0013942500000000, -0.0002836200000000 ] - [ 0.0002982700000000, 0.0000918400000000, -0.0009173700000000 ] - [ 0.0007432500000000, 0.0011516900000000, -0.0023908800000000 ] - [ 0.0000645900000000, -0.0000771700000000, -0.0011092800000000 ] - [ -0.0000117700000000, -0.0002116900000000, -0.0009714400000000 ] - [ 0.0002536600000000, 0.0036820000000000, -0.0006309500000000 ] - [ -0.0005089600000000, 0.0007491900000000, 0.0003398700000000 ] - [ -0.0003667700000000, 0.0009511100000000, 0.0004658600000000 ] - [ -0.0004174300000000, 0.0006946600000000, 0.0005724700000000 ] - [ -0.0004181600000000, 0.0009194500000000, 0.0004292100000000 ] - [ -0.0004873700000000, 0.0007933000000000, 0.0002778000000000 ] - [ 0.0028740400000000, 0.0014414000000000, -0.0000232700000000 ] - [ -0.0000227800000000, -0.0000850300000000, -0.0009888200000000 ] - [ -0.0001939700000000, -0.0001451100000000, -0.0009276300000000 ] - [ -0.0002759500000000, -0.0001126400000000, -0.0008382800000000 ] - [ -0.0002368400000000, -0.0001548100000000, -0.0008736900000000 ] - [ -0.0000065900000000, -0.0001443000000000, -0.0007138100000000 ] - [ -0.0002975000000000, -0.0015135200000000, 0.0009734700000000 ] - [ -0.0003269500000000, -0.0010544900000000, 0.0005531800000000 ] - [ -0.0000323800000000, -0.0016800300000000, 0.0004448500000000 ] - [ -0.0004939200000000, -0.0008004400000000, 0.0003633900000000 ] - [ -0.0004550900000000, -0.0007860300000000, 0.0004150600000000 ] - [ -0.0004549500000000, -0.0008251900000000, 0.0004046300000000 ] - [ -0.0007765600000000, 0.0017565800000000, -0.0006034900000000 ] - [ -0.0000980000000000, 0.0004100100000000, -0.0008843500000000 ] - [ -0.0001315100000000, 0.0012158900000000, -0.0011646100000000 ] - [ 0.0005493800000000, 0.0002973600000000, -0.0006538200000000 ] - [ -0.0001612400000000, 0.0002021300000000, -0.0008707900000000 ] - [ -0.0001795300000000, 0.0002108100000000, -0.0008384900000000 ] - [ 0.0005537800000000, -0.0003105600000000, 0.0007151900000000 ] - [ -0.0014517400000000, 0.0001343500000000, 0.0004445700000000 ] - [ 0.0004222200000000, -0.0003887200000000, 0.0012316600000000 ] - [ 0.0002686000000000, -0.0002521400000000, 0.0009236500000000 ] - [ 0.0001454700000000, -0.0001773600000000, 0.0008895500000000 ] - [ 0.0002115300000000, -0.0001680000000000, 0.0009082200000000 ] - [ 0.0000771100000000, 0.0006692400000000, -0.0004192900000000 ] - [ 0.0018425200000000, -0.0008123100000000, 0.0007752500000000 ] - [ 0.0001687700000000, 0.0008788400000000, -0.0009533200000000 ] - [ 0.0005296400000000, 0.0007331300000000, -0.0004661100000000 ] - [ 0.0004948000000000, 0.0006847500000000, -0.0003710500000000 ] - [ 0.0005127900000000, 0.0006358600000000, -0.0003142500000000 ] - [ 0.0001796900000000, 0.0000984700000000, 0.0008727400000000 ] - [ 0.0001276400000000, -0.0000780500000000, 0.0008345900000000 ] - [ -0.0000888000000000, -0.0003995600000000, 0.0008435800000000 ] - [ 0.0001267700000000, -0.0001524900000000, 0.0008760900000000 ] - [ 0.0001281900000000, 0.0000906400000000, 0.0008877500000000 ] - [ 0.0001939100000000, 0.0001424800000000, 0.0008955000000000 ] - [ 0.0004293000000000, -0.0006293000000000, -0.0003941200000000 ] - [ 0.0008370000000000, 0.0001823200000000, -0.0001896900000000 ] - [ -0.0027833000000000, 0.0040037300000000, -0.0010617900000000 ] - [ 0.0005628200000000, -0.0001580000000000, -0.0000330400000000 ] - [ 0.0004255900000000, -0.0006829400000000, -0.0003790600000000 ] - [ 0.0005310000000000, -0.0006805100000000, -0.0002884100000000 ] - [ -0.0013803000000000, -0.0020655700000000, 0.0016102100000000 ] - [ -0.0006601200000000, 0.0001388800000000, 0.0000711800000000 ] - [ -0.0005414900000000, 0.0004026600000000, -0.0001445400000000 ] - [ -0.0005853500000000, 0.0001614900000000, 0.0000213000000000 ] - [ -0.0004552000000000, 0.0004851300000000, -0.0003480400000000 ] - [ -0.0006055800000000, 0.0004363400000000, -0.0001488000000000 ] - [ 0.0006438600000000, -0.0017004600000000, -0.0028105300000000 ] - [ -0.0005933000000000, -0.0007708300000000, -0.0005609300000000 ] - [ -0.0009589300000000, -0.0008388900000000, 0.0002995500000000 ] - [ -0.0004799400000000, -0.0008827700000000, -0.0005340600000000 ] - [ -0.0005572900000000, -0.0005216100000000, -0.0001942200000000 ] - [ -0.0005908100000000, -0.0005280800000000, -0.0001284900000000 ] - [ 0.0005352000000000, 0.0008079100000000, 0.0001097000000000 ] - [ 0.0016973500000000, 0.0035703900000000, 0.0043354500000000 ] - [ -0.0000579800000000, 0.0011596300000000, 0.0012992100000000 ] - [ 0.0007873500000000, 0.0004553600000000, 0.0000361300000000 ] - [ 0.0005531700000000, 0.0006184300000000, 0.0002915400000000 ] - [ 0.0005216200000000, 0.0006034800000000, 0.0003225000000000 ] - [ 0.0005502500000000, -0.0004419100000000, 0.0001871000000000 ] - [ 0.0001614600000000, -0.0005252500000000, 0.0009000900000000 ] - [ 0.0001655800000000, 0.0007737000000000, -0.0010980000000000 ] - [ 0.0017692400000000, 0.0005970100000000, -0.0020730100000000 ] - [ 0.0005454500000000, -0.0004613600000000, 0.0002058000000000 ] - [ 0.0005809100000000, -0.0004532200000000, 0.0001656800000000 ]- atom: 7 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001388900000000, -0.0019750800000000, 0.0003066600000000 ] - [ -0.0003441100000000, -0.0005345600000000, 0.0000578800000000 ] - [ -0.0002752700000000, -0.0004193300000000, -0.0000622200000000 ] - [ -0.0003114000000000, -0.0004753400000000, -0.0000309100000000 ] - [ -0.0003143300000000, -0.0004398900000000, 0.0001014600000000 ] - [ -0.0003258900000000, -0.0004708600000000, 0.0000807600000000 ] - [ -0.0033460800000000, 0.0152173900000000, -0.0007421700000000 ] - [ -0.0000023300000000, 0.0001554900000000, -0.0000392800000000 ] - [ -0.0001110000000000, -0.0000458100000000, 0.0000304200000000 ] - [ -0.0001410500000000, 0.0000307800000000, 0.0002686300000000 ] - [ -0.0002142200000000, -0.0000545600000000, 0.0002045900000000 ] - [ -0.0000768200000000, 0.0000242400000000, 0.0001228600000000 ] - [ 0.0000789000000000, 0.0008505100000000, -0.0008812400000000 ] - [ -0.0005414800000000, 0.0006458100000000, -0.0002118700000000 ] - [ -0.0008967900000000, 0.0003939900000000, 0.0010764400000000 ] - [ -0.0001813700000000, 0.0000470000000000, 0.0001246800000000 ] - [ -0.0002961500000000, 0.0004073900000000, 0.0001132700000000 ] - [ -0.0003044400000000, 0.0004314600000000, 0.0001540800000000 ] - [ -0.0005890400000000, -0.0002309800000000, 0.0011518100000000 ] - [ 0.0002903500000000, 0.0001640300000000, 0.0003278600000000 ] - [ 0.0002124500000000, -0.0002218300000000, -0.0011002100000000 ] - [ -0.0001049700000000, 0.0001726200000000, -0.0000270600000000 ] - [ -0.0001042600000000, -0.0000015400000000, 0.0001337900000000 ] - [ -0.0001180700000000, -0.0000054500000000, 0.0001678600000000 ] - [ 0.0001077900000000, -0.0001892000000000, -0.0001001500000000 ] - [ 0.0001686500000000, -0.0008114400000000, -0.0000849000000000 ] - [ 0.0000913700000000, -0.0001679900000000, -0.0000987400000000 ] - [ 0.0001103800000000, -0.0000442700000000, -0.0000414000000000 ] - [ 0.0001266700000000, -0.0000085500000000, -0.0001105400000000 ] - [ 0.0001457100000000, 0.0000017000000000, -0.0001366500000000 ] - [ 0.0004935600000000, -0.0001612100000000, -0.0005656000000000 ] - [ -0.0001379500000000, 0.0007784300000000, -0.0004588200000000 ] - [ 0.0000874000000000, -0.0003444900000000, 0.0002914200000000 ] - [ 0.0004418200000000, -0.0004402900000000, 0.0000289300000000 ] - [ 0.0002763700000000, -0.0003838100000000, 0.0000194700000000 ] - [ 0.0002696000000000, -0.0004100100000000, 0.0001015800000000 ] - [ 0.0001263900000000, 0.0000272800000000, -0.0001610400000000 ] - [ 0.0001775400000000, 0.0001688300000000, -0.0003913000000000 ] - [ 0.0009227100000000, -0.0010169300000000, 0.0002803600000000 ] - [ 0.0000051800000000, -0.0000510800000000, 0.0001614700000000 ] - [ 0.0000644200000000, 0.0000019800000000, -0.0000458600000000 ] - [ 0.0001564500000000, -0.0000318000000000, -0.0000714300000000 ] - [ 0.0002697100000000, 0.0004002500000000, 0.0000028500000000 ] - [ 0.0001885700000000, 0.0003097300000000, 0.0003724900000000 ] - [ -0.0006049900000000, -0.0000589700000000, -0.0004636000000000 ] - [ 0.0005405300000000, 0.0001589700000000, -0.0002474400000000 ] - [ 0.0003091800000000, 0.0003867900000000, -0.0001339400000000 ] - [ 0.0002999900000000, 0.0004130800000000, -0.0000895300000000 ] - [ 0.0089955000000000, -0.0014577500000000, 0.0024320600000000 ] - [ -0.0002476700000000, 0.0006512500000000, 0.0005425000000000 ] - [ 0.0000940800000000, 0.0002471100000000, 0.0008100300000000 ] - [ -0.0003266700000000, 0.0011063100000000, 0.0010243800000000 ] - [ -0.0002468500000000, 0.0002333500000000, 0.0013162200000000 ] - [ 0.0001729600000000, 0.0003238800000000, 0.0009727100000000 ] - [ -0.0008808200000000, 0.0018673900000000, 0.0046943300000000 ] - [ -0.0000061000000000, -0.0001439800000000, 0.0009388800000000 ] - [ 0.0006457400000000, 0.0009911800000000, 0.0002965600000000 ] - [ -0.0001410100000000, 0.0030991900000000, 0.0015890000000000 ] - [ 0.0000165600000000, -0.0001324800000000, 0.0010479300000000 ] - [ -0.0000129100000000, -0.0001694800000000, 0.0010396300000000 ] - [ 0.0001767000000000, -0.0000710200000000, -0.0009584600000000 ] - [ -0.0016281700000000, -0.0032659800000000, -0.0036355200000000 ] - [ 0.0004325000000000, -0.0001343900000000, -0.0010172700000000 ] - [ 0.0000119900000000, 0.0002474300000000, -0.0006251700000000 ] - [ -0.0000651400000000, 0.0001405600000000, -0.0009377200000000 ] - [ 0.0000856400000000, 0.0002726500000000, -0.0010123200000000 ] - [ -0.0000152500000000, -0.0006858000000000, -0.0010151200000000 ] - [ 0.0004635900000000, -0.0019077300000000, -0.0016071100000000 ] - [ -0.0002945600000000, -0.0005804500000000, -0.0009597700000000 ] - [ -0.0007363300000000, -0.0016500700000000, 0.0005130700000000 ] - [ -0.0000696100000000, -0.0004292400000000, -0.0007388100000000 ] - [ 0.0000148200000000, -0.0002922600000000, -0.0008915500000000 ] - [ -0.0013173600000000, -0.0024685000000000, 0.0013804800000000 ] - [ -0.0004154000000000, 0.0007444600000000, 0.0004621100000000 ] - [ -0.0005616600000000, 0.0005438400000000, 0.0003496200000000 ] - [ -0.0005046100000000, 0.0008040100000000, 0.0002488400000000 ] - [ -0.0004998900000000, 0.0005786300000000, 0.0003752800000000 ] - [ -0.0004378600000000, 0.0007018000000000, 0.0005234100000000 ] - [ -0.0032367600000000, -0.0015144500000000, -0.0017457600000000 ] - [ -0.0003354600000000, -0.0002652900000000, -0.0007827900000000 ] - [ -0.0001684500000000, -0.0002085200000000, -0.0008467200000000 ] - [ -0.0000768500000000, -0.0002344500000000, -0.0009341600000000 ] - [ -0.0001275500000000, -0.0001969900000000, -0.0009046400000000 ] - [ -0.0003453200000000, -0.0002097500000000, -0.0010612100000000 ] - [ -0.0006295600000000, 0.0000080500000000, -0.0001533500000000 ] - [ -0.0005975800000000, -0.0004494700000000, 0.0002669300000000 ] - [ -0.0008868900000000, 0.0001805800000000, 0.0003582300000000 ] - [ -0.0004280700000000, -0.0007056500000000, 0.0004387400000000 ] - [ -0.0004680100000000, -0.0007105600000000, 0.0003829500000000 ] - [ -0.0004682200000000, -0.0006781100000000, 0.0004015500000000 ] - [ 0.0003887300000000, -0.0013943900000000, -0.0011636500000000 ] - [ -0.0002837000000000, -0.0000535200000000, -0.0008920000000000 ] - [ -0.0002293400000000, -0.0008614500000000, -0.0006237200000000 ] - [ -0.0008970800000000, 0.0000579000000000, -0.0011223500000000 ] - [ -0.0001971500000000, 0.0001458300000000, -0.0009013400000000 ] - [ -0.0001760000000000, 0.0001409900000000, -0.0009337700000000 ] - [ -0.0002068100000000, -0.0000385200000000, 0.0010515400000000 ] - [ 0.0018031400000000, -0.0004813300000000, 0.0013290200000000 ] - [ -0.0000878800000000, 0.0000384600000000, 0.0005382300000000 ] - [ 0.0000802800000000, -0.0001019200000000, 0.0008513200000000 ] - [ 0.0002098000000000, -0.0001755100000000, 0.0008846600000000 ] - [ 0.0001422500000000, -0.0001826900000000, 0.0008628800000000 ] - [ 0.0008492400000000, 0.0008173300000000, -0.0003739200000000 ] - [ -0.0009099800000000, 0.0022958100000000, -0.0015696200000000 ] - [ 0.0007506200000000, 0.0006209300000000, 0.0001451900000000 ] - [ 0.0003961200000000, 0.0007640300000000, -0.0003293200000000 ] - [ 0.0004373300000000, 0.0008084600000000, -0.0004426300000000 ] - [ 0.0004176300000000, 0.0008463500000000, -0.0004925700000000 ] - [ 0.0001636800000000, 0.0002520300000000, 0.0009036300000000 ] - [ 0.0002167600000000, 0.0004312400000000, 0.0009437000000000 ] - [ 0.0004361300000000, 0.0007514100000000, 0.0009318500000000 ] - [ 0.0002293200000000, 0.0005026500000000, 0.0008980900000000 ] - [ 0.0002138400000000, 0.0002564900000000, 0.0008800500000000 ] - [ 0.0001523800000000, 0.0002061500000000, 0.0008752800000000 ] - [ 0.0005124100000000, -0.0008449300000000, -0.0003897800000000 ] - [ 0.0000924600000000, -0.0016737800000000, -0.0005966700000000 ] - [ 0.0037971600000000, -0.0055073300000000, 0.0002940400000000 ] - [ 0.0003646600000000, -0.0013382700000000, -0.0007838800000000 ] - [ 0.0005024100000000, -0.0008098800000000, -0.0004155100000000 ] - [ 0.0004027600000000, -0.0008108300000000, -0.0005046500000000 ] - [ 0.0002540500000000, 0.0030487400000000, -0.0019940200000000 ] - [ -0.0004702200000000, 0.0008520100000000, -0.0004451200000000 ] - [ -0.0006003200000000, 0.0006288800000000, -0.0002230300000000 ] - [ -0.0005374900000000, 0.0008171800000000, -0.0003936300000000 ] - [ -0.0006396900000000, 0.0004906000000000, -0.0000819600000000 ] - [ -0.0005068200000000, 0.0005751100000000, -0.0002689100000000 ] - [ -0.0017703000000000, 0.0007177600000000, 0.0024482100000000 ] - [ -0.0005304100000000, -0.0002215700000000, 0.0001867100000000 ] - [ -0.0001644800000000, -0.0001675500000000, -0.0007026000000000 ] - [ -0.0006343500000000, -0.0001461800000000, 0.0001168700000000 ] - [ -0.0005670600000000, -0.0004881700000000, -0.0001985700000000 ] - [ -0.0005364900000000, -0.0004687900000000, -0.0002536800000000 ] - [ 0.0006143500000000, 0.0002042700000000, 0.0002524500000000 ] - [ -0.0005772100000000, -0.0025359000000000, -0.0039342900000000 ] - [ 0.0011661300000000, -0.0001637200000000, -0.0008738100000000 ] - [ 0.0003438500000000, 0.0005470300000000, 0.0003518200000000 ] - [ 0.0005735700000000, 0.0003809100000000, 0.0000908000000000 ] - [ 0.0006129900000000, 0.0004190300000000, 0.0000501800000000 ] - [ 0.0005571400000000, -0.0005821100000000, 0.0002513800000000 ] - [ 0.0009788300000000, -0.0004789200000000, -0.0005231000000000 ] - [ 0.0009876200000000, -0.0017920400000000, 0.0014393300000000 ] - [ -0.0006577800000000, -0.0015898500000000, 0.0024722200000000 ] - [ 0.0005882500000000, -0.0005324800000000, 0.0001695200000000 ] - [ 0.0005303600000000, -0.0005477200000000, 0.0002454000000000 ]- atom: 7 displacement: [ -0.0040808756811180, 0.0000000000000000, 0.0091294278941925 ] forces: - [ -0.0003414600000000, -0.0003301100000000, 0.0000838700000000 ] - [ -0.0003707900000000, -0.0004408200000000, 0.0000197200000000 ] - [ -0.0002534000000000, -0.0002732800000000, 0.0000167800000000 ] - [ -0.0002307900000000, -0.0003731500000000, 0.0000265500000000 ] - [ -0.0003303600000000, -0.0005650600000000, 0.0001204100000000 ] - [ -0.0002791100000000, -0.0004265000000000, 0.0001098700000000 ] - [ 0.0028507600000000, -0.0005940200000000, -0.0085441300000000 ] - [ -0.0004648500000000, 0.0001897500000000, -0.0002340300000000 ] - [ -0.0002848900000000, -0.0001599800000000, 0.0014164500000000 ] - [ -0.0000990600000000, -0.0000324500000000, 0.0002230800000000 ] - [ -0.0007802900000000, 0.0000855000000000, 0.0011317500000000 ] - [ 0.0002092800000000, -0.0001429500000000, 0.0002978400000000 ] - [ -0.0001669800000000, 0.0015461900000000, 0.0000770700000000 ] - [ -0.0003413700000000, 0.0005245500000000, -0.0001005500000000 ] - [ -0.0005338100000000, -0.0008144600000000, 0.0000204700000000 ] - [ -0.0003661600000000, 0.0003617300000000, 0.0001351800000000 ] - [ -0.0003729000000000, 0.0003985700000000, 0.0003512100000000 ] - [ -0.0001875400000000, 0.0003304700000000, 0.0002279800000000 ] - [ -0.0001974800000000, -0.0012017000000000, 0.0000300600000000 ] - [ -0.0001314200000000, -0.0000929000000000, 0.0000510200000000 ] - [ -0.0000688100000000, 0.0011386500000000, 0.0000220800000000 ] - [ -0.0002460500000000, 0.0000204200000000, -0.0000633400000000 ] - [ -0.0001983400000000, 0.0000117600000000, 0.0004629100000000 ] - [ -0.0000079200000000, 0.0000477400000000, 0.0002759600000000 ] - [ 0.0001156900000000, 0.0000203900000000, -0.0001828500000000 ] - [ 0.0001113600000000, 0.0000080600000000, -0.0002032700000000 ] - [ 0.0001159600000000, -0.0000249400000000, -0.0000712300000000 ] - [ 0.0000560700000000, 0.0000192700000000, -0.0000544000000000 ] - [ 0.0001332700000000, 0.0000169400000000, -0.0000393800000000 ] - [ 0.0001929500000000, -0.0000140100000000, -0.0000295900000000 ] - [ -0.0009301900000000, 0.0002368600000000, -0.0005604800000000 ] - [ 0.0005860400000000, -0.0001458800000000, -0.0008891200000000 ] - [ 0.0011287600000000, -0.0009151000000000, 0.0005373700000000 ] - [ 0.0000249400000000, -0.0006004400000000, 0.0001736100000000 ] - [ 0.0002400900000000, -0.0004404800000000, 0.0001976000000000 ] - [ 0.0002788500000000, -0.0004097300000000, 0.0004649100000000 ] - [ 0.0000507000000000, 0.0000934600000000, -0.0000387400000000 ] - [ 0.0003206000000000, 0.0003257300000000, -0.0000638600000000 ] - [ 0.0001790800000000, -0.0000451700000000, -0.0003391900000000 ] - [ -0.0000307000000000, -0.0003146400000000, -0.0002746600000000 ] - [ 0.0001709500000000, -0.0000874700000000, 0.0000262200000000 ] - [ 0.0000830600000000, -0.0000236000000000, 0.0000563800000000 ] - [ 0.0001643000000000, 0.0003332100000000, -0.0000958100000000 ] - [ 0.0004857000000000, 0.0001459300000000, -0.0001652500000000 ] - [ 0.0003384200000000, 0.0003989400000000, -0.0001133100000000 ] - [ 0.0001616500000000, 0.0006325300000000, -0.0001321900000000 ] - [ 0.0003836800000000, 0.0004964200000000, 0.0000493300000000 ] - [ 0.0002216400000000, 0.0004672000000000, 0.0001301100000000 ] - [ -0.0003213400000000, 0.0003836900000000, -0.0032730400000000 ] - [ -0.0006675300000000, -0.0001225600000000, 0.0003578500000000 ] - [ -0.0006107500000000, 0.0015011800000000, 0.0020058100000000 ] - [ 0.0003382600000000, 0.0006239600000000, 0.0013602900000000 ] - [ -0.0001099600000000, -0.0004960500000000, 0.0029504300000000 ] - [ 0.0000050200000000, 0.0002910900000000, 0.0012403700000000 ] - [ 0.0079201000000000, -0.0023211600000000, 0.0045368100000000 ] - [ -0.0005234400000000, -0.0005086500000000, 0.0008567900000000 ] - [ -0.0062529400000000, 0.0015054300000000, -0.0002086200000000 ] - [ 0.0006717500000000, -0.0004884200000000, 0.0010579400000000 ] - [ -0.0004245600000000, -0.0004209600000000, 0.0020263400000000 ] - [ 0.0003501500000000, 0.0000092900000000, 0.0014498700000000 ] - [ -0.0005237900000000, 0.0001843700000000, -0.0012914300000000 ] - [ -0.0001592200000000, 0.0007588700000000, -0.0006537000000000 ] - [ 0.0004541600000000, 0.0003435600000000, -0.0009109500000000 ] - [ -0.0001163500000000, -0.0003775900000000, -0.0011705600000000 ] - [ 0.0000559300000000, 0.0003064600000000, -0.0006601200000000 ] - [ 0.0001017700000000, 0.0005790400000000, -0.0004415000000000 ] - [ -0.0000907700000000, -0.0002370900000000, -0.0009607900000000 ] - [ 0.0001317400000000, -0.0001652700000000, -0.0009626900000000 ] - [ 0.0000398500000000, -0.0003126200000000, -0.0012471700000000 ] - [ 0.0000994400000000, -0.0003969400000000, -0.0013491700000000 ] - [ 0.0000773600000000, -0.0002234600000000, -0.0006046200000000 ] - [ -0.0001737500000000, -0.0001179600000000, -0.0004506800000000 ] - [ -0.0007712600000000, 0.0004699600000000, 0.0009085200000000 ] - [ -0.0002406500000000, 0.0010120900000000, 0.0008021900000000 ] - [ -0.0001688700000000, 0.0013702700000000, 0.0002531000000000 ] - [ -0.0005427900000000, 0.0006328800000000, 0.0003774300000000 ] - [ -0.0004992300000000, 0.0002529600000000, -0.0001088600000000 ] - [ -0.0006356700000000, 0.0006061800000000, 0.0001870900000000 ] - [ -0.0008455300000000, -0.0005847400000000, 0.0005079500000000 ] - [ 0.0001742000000000, -0.0001488700000000, -0.0006529300000000 ] - [ -0.0000004700000000, -0.0004598600000000, -0.0012645200000000 ] - [ -0.0003119000000000, -0.0002288000000000, -0.0010118300000000 ] - [ 0.0000338100000000, 0.0003428800000000, -0.0012866800000000 ] - [ -0.0003577100000000, -0.0001438500000000, -0.0009750400000000 ] - [ -0.0004766900000000, -0.0006715700000000, 0.0005575400000000 ] - [ -0.0004071500000000, -0.0007704900000000, 0.0004759600000000 ] - [ -0.0005312100000000, -0.0007928800000000, 0.0005371400000000 ] - [ -0.0004052300000000, -0.0007747700000000, 0.0005027200000000 ] - [ -0.0004259100000000, -0.0007453300000000, 0.0001879600000000 ] - [ -0.0005607500000000, -0.0006972300000000, 0.0002363000000000 ] - [ -0.0035888400000000, 0.0005575100000000, -0.0001987600000000 ] - [ -0.0000954400000000, 0.0001320300000000, -0.0006537100000000 ] - [ 0.0036300000000000, -0.0005705700000000, -0.0005399000000000 ] - [ -0.0000326500000000, 0.0001180700000000, -0.0009575800000000 ] - [ -0.0000172000000000, 0.0001695900000000, -0.0012438700000000 ] - [ -0.0005177000000000, 0.0002478100000000, -0.0011679600000000 ] - [ 0.0006108700000000, -0.0005193900000000, 0.0010836800000000 ] - [ 0.0001766700000000, -0.0003038800000000, 0.0011837100000000 ] - [ -0.0002442000000000, 0.0001229400000000, 0.0008309000000000 ] - [ 0.0003802100000000, -0.0000697400000000, 0.0008188200000000 ] - [ 0.0001512400000000, -0.0001614400000000, 0.0007294100000000 ] - [ 0.0000582500000000, -0.0002053900000000, 0.0006601300000000 ] - [ 0.0006587800000000, 0.0008880900000000, -0.0001993800000000 ] - [ 0.0006084900000000, 0.0007544000000000, -0.0001592500000000 ] - [ 0.0003159800000000, 0.0005529600000000, -0.0004274300000000 ] - [ 0.0006830800000000, 0.0003834900000000, -0.0002210200000000 ] - [ 0.0004426300000000, 0.0008223400000000, -0.0005930900000000 ] - [ 0.0001923800000000, 0.0011239300000000, -0.0008277100000000 ] - [ 0.0002827000000000, 0.0002086700000000, 0.0008718400000000 ] - [ 0.0000574200000000, 0.0001757300000000, 0.0009313600000000 ] - [ 0.0001364800000000, 0.0001722400000000, 0.0010051300000000 ] - [ 0.0002302100000000, 0.0002008500000000, 0.0010047200000000 ] - [ 0.0000868700000000, 0.0001358100000000, 0.0007685900000000 ] - [ 0.0002194300000000, 0.0001544700000000, 0.0007298900000000 ] - [ 0.0009027700000000, -0.0007847000000000, -0.0003961600000000 ] - [ -0.0005844600000000, -0.0019565500000000, -0.0012407600000000 ] - [ 0.0001761800000000, -0.0003701100000000, 0.0005047500000000 ] - [ 0.0014814700000000, 0.0005122000000000, 0.0005774400000000 ] - [ 0.0001549200000000, -0.0008674300000000, -0.0009876700000000 ] - [ 0.0004631900000000, -0.0007824400000000, -0.0006853200000000 ] - [ -0.0007045400000000, 0.0002700700000000, -0.0000683800000000 ] - [ -0.0005629200000000, 0.0003850200000000, 0.0000732100000000 ] - [ -0.0004246700000000, 0.0008089200000000, -0.0005530300000000 ] - [ -0.0005661200000000, 0.0005998500000000, -0.0004073900000000 ] - [ -0.0005541200000000, 0.0004025300000000, -0.0001405900000000 ] - [ -0.0005603300000000, 0.0005142100000000, -0.0002511500000000 ] - [ -0.0005478800000000, -0.0007384200000000, -0.0000346200000000 ] - [ -0.0005495500000000, -0.0005295900000000, -0.0001133800000000 ] - [ -0.0007863500000000, -0.0000497800000000, 0.0001786500000000 ] - [ -0.0005730300000000, -0.0004302000000000, -0.0000431900000000 ] - [ -0.0003203900000000, -0.0007368700000000, -0.0007627700000000 ] - [ -0.0005325400000000, -0.0005706900000000, -0.0004524700000000 ] - [ 0.0010755400000000, 0.0007735300000000, 0.0004841700000000 ] - [ -0.0028470600000000, 0.0028781000000000, 0.0048421700000000 ] - [ -0.0000286000000000, 0.0003216400000000, -0.0000324600000000 ] - [ 0.0019060700000000, -0.0007814900000000, -0.0021566600000000 ] - [ 0.0006893800000000, 0.0003515300000000, -0.0001581500000000 ] - [ 0.0009040800000000, 0.0001780900000000, -0.0011120700000000 ] - [ 0.0007438500000000, -0.0003471700000000, 0.0000410800000000 ] - [ 0.0004756900000000, 0.0015214600000000, -0.0013955100000000 ] - [ 0.0005489400000000, -0.0005063400000000, 0.0004210100000000 ] - [ 0.0000572300000000, -0.0029218500000000, 0.0026681400000000 ] - [ 0.0005100600000000, -0.0004657600000000, -0.0000124900000000 ] - [ 0.0009402600000000, -0.0001167100000000, -0.0006467700000000 ]- atom: 7 displacement: [ 0.0040808756811180, 0.0000000000000000, -0.0091294278941925 ] forces: - [ -0.0002492400000000, -0.0004925600000000, 0.0001164200000000 ] - [ -0.0002258800000000, -0.0003664100000000, 0.0001813800000000 ] - [ -0.0003145600000000, -0.0005537500000000, -0.0000305200000000 ] - [ -0.0003319000000000, -0.0004609300000000, -0.0000392400000000 ] - [ -0.0002633400000000, -0.0002556800000000, 0.0000087000000000 ] - [ -0.0003117900000000, -0.0003965600000000, 0.0000199300000000 ] - [ -0.0030817500000000, 0.0005501600000000, 0.0090030000000000 ] - [ 0.0002399600000000, -0.0001835900000000, 0.0004663000000000 ] - [ 0.0000249100000000, 0.0001845100000000, -0.0011842700000000 ] - [ -0.0001610300000000, 0.0000545200000000, 0.0000054300000000 ] - [ 0.0005227300000000, -0.0000799300000000, -0.0010256900000000 ] - [ -0.0004655800000000, 0.0001497500000000, -0.0001943700000000 ] - [ -0.0004027100000000, -0.0007224200000000, -0.0000916100000000 ] - [ -0.0002201600000000, 0.0003099200000000, 0.0000908000000000 ] - [ -0.0000616400000000, 0.0016239800000000, 0.0001063400000000 ] - [ -0.0002281600000000, 0.0004720700000000, -0.0000066600000000 ] - [ -0.0002155100000000, 0.0004308000000000, -0.0001480800000000 ] - [ -0.0003985400000000, 0.0004895100000000, -0.0000263000000000 ] - [ -0.0000665800000000, 0.0011862300000000, 0.0002003600000000 ] - [ -0.0001274000000000, 0.0000716400000000, 0.0001792500000000 ] - [ -0.0001822100000000, -0.0011351300000000, 0.0000834600000000 ] - [ -0.0000051900000000, -0.0000260400000000, 0.0001707800000000 ] - [ -0.0000220100000000, -0.0000154800000000, -0.0002297300000000 ] - [ -0.0002142100000000, -0.0000530300000000, -0.0000430300000000 ] - [ 0.0001031300000000, -0.0000147100000000, -0.0000533000000000 ] - [ 0.0001096000000000, -0.0000030700000000, -0.0000322600000000 ] - [ 0.0001340800000000, 0.0000300900000000, -0.0000363200000000 ] - [ 0.0001948600000000, -0.0000154600000000, -0.0000534200000000 ] - [ 0.0001270000000000, 0.0000054500000000, -0.0001901500000000 ] - [ 0.0000665200000000, 0.0000400300000000, -0.0001993300000000 ] - [ 0.0015261800000000, -0.0010745500000000, 0.0003592600000000 ] - [ 0.0000110100000000, -0.0006812300000000, 0.0006883100000000 ] - [ -0.0005278300000000, 0.0000826100000000, -0.0006629500000000 ] - [ 0.0005689000000000, -0.0002234900000000, -0.0003035800000000 ] - [ 0.0003354100000000, -0.0003794400000000, -0.0001860400000000 ] - [ 0.0002936300000000, -0.0004147400000000, -0.0004539000000000 ] - [ 0.0001961100000000, -0.0001029000000000, -0.0000695300000000 ] - [ -0.0000704900000000, -0.0003343000000000, -0.0000425200000000 ] - [ 0.0000751500000000, 0.0000270800000000, 0.0001073300000000 ] - [ 0.0002900800000000, 0.0002906500000000, 0.0000413000000000 ] - [ 0.0000514600000000, 0.0000814600000000, -0.0002610800000000 ] - [ 0.0001343500000000, 0.0000190000000000, -0.0002899500000000 ] - [ 0.0004204800000000, 0.0005098100000000, -0.0000322400000000 ] - [ 0.0001032100000000, 0.0006894700000000, 0.0000383700000000 ] - [ 0.0002286200000000, 0.0004237400000000, 0.0001226900000000 ] - [ 0.0004030300000000, 0.0002041200000000, 0.0001459400000000 ] - [ 0.0002077600000000, 0.0003231100000000, -0.0002517000000000 ] - [ 0.0003632600000000, 0.0003624500000000, -0.0003332400000000 ] - [ 0.0003684700000000, 0.0001027400000000, 0.0051017900000000 ] - [ 0.0006661300000000, 0.0006411600000000, 0.0015162900000000 ] - [ 0.0006052000000000, -0.0010080600000000, -0.0001318100000000 ] - [ -0.0003429300000000, -0.0001140900000000, 0.0005269300000000 ] - [ 0.0000925100000000, 0.0010218300000000, -0.0010660000000000 ] - [ -0.0000154800000000, 0.0002229100000000, 0.0006352100000000 ] - [ -0.0080069100000000, 0.0018435600000000, -0.0026837900000000 ] - [ 0.0005248600000000, -0.0000024500000000, 0.0010266100000000 ] - [ 0.0061862900000000, -0.0020187600000000, 0.0021037600000000 ] - [ -0.0006944600000000, -0.0000393800000000, 0.0008025900000000 ] - [ 0.0004299200000000, -0.0000944500000000, -0.0001656900000000 ] - [ -0.0003506100000000, -0.0005106500000000, 0.0004117600000000 ] - [ 0.0005264000000000, 0.0003287100000000, -0.0005628400000000 ] - [ 0.0001711800000000, -0.0002519400000000, -0.0012036700000000 ] - [ -0.0004266300000000, 0.0001846800000000, -0.0009897000000000 ] - [ 0.0001341600000000, 0.0008822900000000, -0.0007221300000000 ] - [ -0.0000476500000000, 0.0001860800000000, -0.0012187300000000 ] - [ -0.0000901100000000, -0.0000879600000000, -0.0014392100000000 ] - [ 0.0001133700000000, -0.0002816400000000, -0.0009341600000000 ] - [ -0.0001121900000000, -0.0003381400000000, -0.0009210200000000 ] - [ -0.0000405500000000, -0.0001778500000000, -0.0006317400000000 ] - [ -0.0000835200000000, -0.0000999100000000, -0.0005412800000000 ] - [ -0.0000835100000000, -0.0002856000000000, -0.0012454600000000 ] - [ 0.0001771600000000, -0.0003836200000000, -0.0014133700000000 ] - [ -0.0001427100000000, 0.0010621100000000, -0.0001058900000000 ] - [ -0.0006833200000000, 0.0004862800000000, 0.0000017400000000 ] - [ -0.0007564900000000, 0.0001329200000000, 0.0005638400000000 ] - [ -0.0003790200000000, 0.0008685300000000, 0.0004441300000000 ] - [ -0.0004170100000000, 0.0012505200000000, 0.0009158800000000 ] - [ -0.0002890500000000, 0.0008918700000000, 0.0006135800000000 ] - [ 0.0004789700000000, 0.0002207000000000, -0.0022827600000000 ] - [ -0.0005296900000000, -0.0002013300000000, -0.0011177400000000 ] - [ -0.0003592000000000, 0.0001047300000000, -0.0005110700000000 ] - [ -0.0000397700000000, -0.0001171100000000, -0.0007592700000000 ] - [ -0.0003975300000000, -0.0006958300000000, -0.0004902300000000 ] - [ 0.0000063600000000, -0.0002101000000000, -0.0008009000000000 ] - [ -0.0004482500000000, -0.0008360500000000, 0.0002614600000000 ] - [ -0.0005191400000000, -0.0007330800000000, 0.0003426600000000 ] - [ -0.0003872700000000, -0.0007080800000000, 0.0002703900000000 ] - [ -0.0005151700000000, -0.0007316600000000, 0.0003019000000000 ] - [ -0.0004966000000000, -0.0007525600000000, 0.0006107900000000 ] - [ -0.0003618400000000, -0.0008069100000000, 0.0005700800000000 ] - [ 0.0033355100000000, -0.0001969200000000, -0.0018605900000000 ] - [ -0.0002840600000000, 0.0002247400000000, -0.0011224400000000 ] - [ -0.0040301400000000, 0.0009182600000000, -0.0010875000000000 ] - [ -0.0003099800000000, 0.0002365900000000, -0.0008158900000000 ] - [ -0.0003398500000000, 0.0001791500000000, -0.0005287900000000 ] - [ 0.0001629000000000, 0.0001041500000000, -0.0006035600000000 ] - [ -0.0002632300000000, 0.0001740500000000, 0.0006810200000000 ] - [ 0.0001612700000000, -0.0000396100000000, 0.0005859000000000 ] - [ 0.0005785300000000, -0.0004701600000000, 0.0009417200000000 ] - [ -0.0000314400000000, -0.0002816900000000, 0.0009563200000000 ] - [ 0.0002028800000000, -0.0001896300000000, 0.0010441800000000 ] - [ 0.0002945100000000, -0.0001427800000000, 0.0011107800000000 ] - [ 0.0002698500000000, 0.0005993500000000, -0.0005966800000000 ] - [ 0.0003161700000000, 0.0007357800000000, -0.0006400300000000 ] - [ 0.0006045100000000, 0.0009459600000000, -0.0003762900000000 ] - [ 0.0002429000000000, 0.0011129200000000, -0.0005725800000000 ] - [ 0.0004885500000000, 0.0006723000000000, -0.0002219200000000 ] - [ 0.0007393100000000, 0.0003578600000000, 0.0000204300000000 ] - [ 0.0000600000000000, 0.0001417200000000, 0.0009029200000000 ] - [ 0.0002852600000000, 0.0001764600000000, 0.0008430700000000 ] - [ 0.0002143200000000, 0.0001811300000000, 0.0007712600000000 ] - [ 0.0001212800000000, 0.0001490200000000, 0.0007703000000000 ] - [ 0.0002538600000000, 0.0002113900000000, 0.0009995200000000 ] - [ 0.0001267600000000, 0.0001942500000000, 0.0010410400000000 ] - [ 0.0000349600000000, -0.0006906600000000, -0.0003905700000000 ] - [ 0.0015206200000000, 0.0004755100000000, 0.0004557700000000 ] - [ 0.0007156100000000, -0.0010925800000000, -0.0013296900000000 ] - [ -0.0005455300000000, -0.0019945900000000, -0.0013859100000000 ] - [ 0.0007707600000000, -0.0006258600000000, 0.0001891900000000 ] - [ 0.0004709900000000, -0.0007084200000000, -0.0001082300000000 ] - [ -0.0004259000000000, 0.0007065200000000, -0.0003055300000000 ] - [ -0.0005686100000000, 0.0006062900000000, -0.0004470400000000 ] - [ -0.0007166300000000, 0.0002231200000000, 0.0001845100000000 ] - [ -0.0005573100000000, 0.0003801700000000, 0.0000352900000000 ] - [ -0.0005372200000000, 0.0005730600000000, -0.0002964400000000 ] - [ -0.0005511100000000, 0.0004985800000000, -0.0001706400000000 ] - [ -0.0005705200000000, -0.0002460000000000, -0.0003453600000000 ] - [ -0.0005756300000000, -0.0004600100000000, -0.0002611900000000 ] - [ -0.0003418100000000, -0.0009441700000000, -0.0005714200000000 ] - [ -0.0005410300000000, -0.0005967500000000, -0.0003731600000000 ] - [ -0.0008013400000000, -0.0002717200000000, 0.0003653800000000 ] - [ -0.0005957700000000, -0.0004231900000000, 0.0000717500000000 ] - [ 0.0000704400000000, 0.0002358400000000, -0.0001231000000000 ] - [ 0.0039857200000000, -0.0019013600000000, -0.0045154100000000 ] - [ 0.0011303800000000, 0.0006724800000000, 0.0004624900000000 ] - [ -0.0007639200000000, 0.0017698700000000, 0.0025258700000000 ] - [ 0.0004355500000000, 0.0006435100000000, 0.0005403000000000 ] - [ 0.0002283300000000, 0.0008435600000000, 0.0014910100000000 ] - [ 0.0003638300000000, -0.0006740000000000, 0.0003960400000000 ] - [ 0.0006679000000000, -0.0025451100000000, 0.0017814700000000 ] - [ 0.0006110600000000, -0.0005090100000000, -0.0000781200000000 ] - [ 0.0010437700000000, 0.0019019900000000, -0.0022348400000000 ] - [ 0.0006237400000000, -0.0005292400000000, 0.0003886900000000 ] - [ 0.0001709400000000, -0.0008832700000000, 0.0010594400000000 ]- atom: 49 displacement: [ 0.0099999774088725, 0.0000000000000000, -0.0000212561059198 ] forces: - [ -0.0050702800000000, 0.0059708200000000, -0.0029907200000000 ] - [ 0.0002940600000000, -0.0005611600000000, 0.0001337300000000 ] - [ -0.0004157400000000, -0.0007697500000000, 0.0000304300000000 ] - [ 0.0000681200000000, -0.0000434800000000, 0.0002099600000000 ] - [ -0.0001566300000000, -0.0002664900000000, -0.0000077000000000 ] - [ -0.0003369800000000, -0.0005599300000000, 0.0002571100000000 ] - [ 0.0021912300000000, -0.0090755900000000, 0.0007663300000000 ] - [ 0.0014726400000000, 0.0002461500000000, 0.0000959200000000 ] - [ -0.0003795200000000, 0.0002490900000000, -0.0001061600000000 ] - [ 0.0000220800000000, -0.0001685200000000, 0.0001951400000000 ] - [ 0.0003304400000000, -0.0000915700000000, -0.0004074200000000 ] - [ -0.0006718700000000, 0.0003267200000000, 0.0001813400000000 ] - [ -0.0003480700000000, -0.0003119500000000, 0.0000021100000000 ] - [ -0.0002298400000000, 0.0007879300000000, 0.0000944900000000 ] - [ -0.0010472000000000, 0.0010923100000000, 0.0000003000000000 ] - [ 0.0001773600000000, 0.0003108700000000, 0.0001146000000000 ] - [ -0.0001999700000000, 0.0004438200000000, -0.0000631700000000 ] - [ -0.0003690900000000, 0.0004129900000000, 0.0001458800000000 ] - [ 0.0029823200000000, 0.0006355100000000, -0.0053348000000000 ] - [ 0.0032207000000000, -0.0001375700000000, 0.0023512200000000 ] - [ -0.0055822100000000, -0.0008905900000000, 0.0063647500000000 ] - [ 0.0005881400000000, -0.0000068200000000, -0.0001975100000000 ] - [ 0.0001130900000000, 0.0000121800000000, -0.0002535500000000 ] - [ -0.0003000100000000, -0.0000140000000000, 0.0004165200000000 ] - [ 0.0002779000000000, 0.0001790900000000, -0.0006174500000000 ] - [ 0.0014703000000000, -0.0016329700000000, 0.0003044400000000 ] - [ -0.0003242600000000, 0.0004216700000000, 0.0002290900000000 ] - [ 0.0005084100000000, 0.0000053000000000, -0.0000202800000000 ] - [ 0.0001317500000000, -0.0000584800000000, -0.0000576300000000 ] - [ 0.0001060200000000, 0.0000928800000000, -0.0000193000000000 ] - [ 0.0010081800000000, -0.0006408600000000, -0.0001210700000000 ] - [ -0.0014714200000000, -0.0003370200000000, 0.0011147500000000 ] - [ -0.0002765600000000, -0.0003873600000000, -0.0000966700000000 ] - [ 0.0010265400000000, -0.0001631100000000, -0.0006388000000000 ] - [ 0.0002570200000000, -0.0003513900000000, 0.0000850300000000 ] - [ 0.0004126800000000, -0.0004478500000000, -0.0003833000000000 ] - [ 0.0002785500000000, 0.0000211700000000, -0.0000971300000000 ] - [ -0.0001012400000000, -0.0004542200000000, -0.0000213600000000 ] - [ -0.0001283100000000, 0.0002860200000000, -0.0001860100000000 ] - [ 0.0005522200000000, 0.0007296400000000, 0.0001721300000000 ] - [ -0.0000550300000000, 0.0000657900000000, -0.0001042500000000 ] - [ 0.0002594600000000, -0.0000143000000000, -0.0002422200000000 ] - [ 0.0006575700000000, 0.0004639300000000, -0.0003028600000000 ] - [ -0.0015280800000000, 0.0010907000000000, 0.0022870900000000 ] - [ 0.0049204100000000, 0.0020184400000000, 0.0015431900000000 ] - [ 0.0059169700000000, -0.0062456500000000, -0.0045486800000000 ] - [ -0.0002774900000000, 0.0003596000000000, 0.0002816400000000 ] - [ 0.0006712300000000, 0.0004397400000000, -0.0003343500000000 ] - [ -0.2364101400000000, 0.0170496700000000, 0.0294083200000000 ] - [ 0.0054533800000000, -0.0005575100000000, 0.0009606100000000 ] - [ 0.0008735000000000, -0.0011856400000000, -0.0020844100000000 ] - [ 0.0008109300000000, -0.0022352400000000, 0.0023472100000000 ] - [ 0.0008551200000000, 0.0005110800000000, -0.0010295200000000 ] - [ 0.0008071600000000, 0.0004700500000000, 0.0013786200000000 ] - [ 0.0008247100000000, -0.0061303200000000, -0.0086627800000000 ] - [ 0.0026091900000000, -0.0004195700000000, 0.0009575100000000 ] - [ 0.0009077200000000, 0.0255563600000000, -0.0185574700000000 ] - [ 0.0026101300000000, -0.0012571300000000, 0.0021011600000000 ] - [ 0.0005483800000000, 0.0000881300000000, -0.0000755800000000 ] - [ -0.0006379100000000, -0.0006718400000000, 0.0018167200000000 ] - [ 0.0009513900000000, 0.0010691500000000, -0.0011535900000000 ] - [ -0.0009995100000000, -0.0008885600000000, -0.0004029300000000 ] - [ -0.0004386300000000, 0.0004196100000000, -0.0001894900000000 ] - [ -0.0001585300000000, 0.0012391700000000, -0.0015192600000000 ] - [ -0.0001371600000000, 0.0001027300000000, -0.0006876800000000 ] - [ 0.0000296300000000, 0.0000406000000000, -0.0012473600000000 ] - [ 0.0003516500000000, -0.0007781100000000, -0.0006702400000000 ] - [ -0.0011690700000000, 0.0004120500000000, -0.0012667800000000 ] - [ 0.0026708200000000, -0.0000879600000000, -0.0005227300000000 ] - [ -0.0002319900000000, -0.0004492100000000, -0.0033574200000000 ] - [ -0.0003529100000000, 0.0001984400000000, -0.0005298700000000 ] - [ 0.0002778100000000, -0.0005117600000000, -0.0012854100000000 ] - [ 0.0001893300000000, 0.0015360400000000, 0.0003512600000000 ] - [ -0.0012102000000000, 0.0002041700000000, 0.0001080000000000 ] - [ -0.0002584300000000, 0.0005590100000000, 0.0007662800000000 ] - [ -0.0005846100000000, 0.0007638700000000, 0.0002286300000000 ] - [ -0.0005421900000000, 0.0010714400000000, 0.0007508300000000 ] - [ -0.0002776400000000, 0.0007570300000000, 0.0003338200000000 ] - [ 0.1162403000000000, 0.0240478000000000, 0.0216502300000000 ] - [ -0.0042842600000000, -0.0002240100000000, -0.0013129200000000 ] - [ 0.0005668700000000, 0.0001659700000000, -0.0000859500000000 ] - [ -0.0010722300000000, -0.0002139700000000, -0.0011223800000000 ] - [ -0.0006822400000000, -0.0003844500000000, -0.0004574900000000 ] - [ -0.0007579400000000, -0.0004086900000000, -0.0018928300000000 ] - [ 0.0011203200000000, -0.0018852900000000, 0.0013180900000000 ] - [ -0.0009849400000000, -0.0002500400000000, 0.0000990600000000 ] - [ 0.0022018400000000, -0.0017538700000000, 0.0010456700000000 ] - [ -0.0014474400000000, -0.0002243300000000, -0.0001264600000000 ] - [ -0.0005534100000000, -0.0006144600000000, 0.0005325700000000 ] - [ -0.0004391700000000, -0.0009483700000000, 0.0000210700000000 ] - [ -0.0001927500000000, 0.0021251900000000, 0.0003944000000000 ] - [ -0.0020504000000000, -0.0005243500000000, -0.0021160500000000 ] - [ 0.0082200200000000, -0.0011170800000000, -0.0015971800000000 ] - [ -0.0016507900000000, 0.0003960300000000, -0.0009887100000000 ] - [ -0.0003392700000000, 0.0001812600000000, -0.0006985300000000 ] - [ 0.0001020600000000, 0.0001095600000000, -0.0009204100000000 ] - [ -0.0004526400000000, -0.0000562000000000, 0.0010289800000000 ] - [ 0.0007201000000000, -0.0001216200000000, 0.0006053700000000 ] - [ 0.0007325300000000, -0.0004869600000000, 0.0007720500000000 ] - [ -0.0002936700000000, -0.0005120800000000, 0.0012782800000000 ] - [ 0.0002338100000000, -0.0002085600000000, 0.0008801000000000 ] - [ 0.0002036900000000, -0.0000771500000000, 0.0009664000000000 ] - [ -0.0021839400000000, 0.0012583900000000, -0.0008327000000000 ] - [ 0.0344838800000000, -0.0355395400000000, 0.0240926700000000 ] - [ -0.0008788400000000, 0.0013035100000000, -0.0037357200000000 ] - [ -0.0003605500000000, 0.0013735900000000, 0.0003190400000000 ] - [ 0.0003271600000000, 0.0009676200000000, -0.0005364700000000 ] - [ 0.0006978300000000, 0.0004205900000000, -0.0001789500000000 ] - [ -0.0001490300000000, 0.0001377600000000, 0.0009108900000000 ] - [ 0.0014500300000000, 0.0008399400000000, 0.0003498000000000 ] - [ -0.0019987300000000, -0.0020495900000000, 0.0004542300000000 ] - [ -0.0000824700000000, 0.0008658200000000, 0.0013594500000000 ] - [ 0.0005615400000000, 0.0001515300000000, 0.0008201700000000 ] - [ -0.0001763500000000, 0.0001436600000000, 0.0009799900000000 ] - [ -0.0002867500000000, -0.0011772300000000, -0.0007444000000000 ] - [ 0.0013469900000000, 0.0004604900000000, 0.0008509500000000 ] - [ -0.0003632100000000, 0.0000457000000000, -0.0010820600000000 ] - [ -0.0012044400000000, -0.0049397200000000, -0.0018592200000000 ] - [ 0.0006652100000000, -0.0006686100000000, -0.0003034600000000 ] - [ 0.0002602500000000, -0.0007843300000000, -0.0002612100000000 ] - [ 0.0001536900000000, 0.0028627400000000, 0.0006060500000000 ] - [ -0.0012679100000000, -0.0001522400000000, 0.0008488400000000 ] - [ -0.0004820600000000, 0.0002739300000000, 0.0000580400000000 ] - [ -0.0005035100000000, 0.0002276700000000, -0.0004953000000000 ] - [ -0.0005613700000000, 0.0004996400000000, -0.0003364000000000 ] - [ -0.0004163800000000, 0.0006879500000000, -0.0004902300000000 ] - [ -0.0003293900000000, -0.0005004100000000, -0.0007085900000000 ] - [ -0.0007604100000000, -0.0003009100000000, 0.0001533700000000 ] - [ -0.0002286100000000, -0.0015446000000000, -0.0001060100000000 ] - [ -0.0007887700000000, -0.0011656200000000, -0.0011901900000000 ] - [ -0.0007359700000000, -0.0003565600000000, 0.0001665400000000 ] - [ -0.0004184700000000, -0.0006780800000000, -0.0004255900000000 ] - [ -0.0005282800000000, 0.0006235100000000, 0.0009186400000000 ] - [ 0.0189912300000000, -0.0014379000000000, -0.0000601600000000 ] - [ 0.0005005200000000, 0.0014099000000000, 0.0006085600000000 ] - [ -0.0017044000000000, 0.0019475300000000, 0.0046018900000000 ] - [ 0.0007429100000000, -0.0000890600000000, -0.0005974400000000 ] - [ 0.0001894200000000, 0.0009445500000000, 0.0011548300000000 ] - [ 0.0001089600000000, -0.0002252900000000, 0.0001822100000000 ] - [ 0.0007070900000000, -0.0016613000000000, 0.0036973900000000 ] - [ -0.0023929900000000, -0.0001148000000000, 0.0009656400000000 ] - [ 0.0532708300000000, -0.0101575700000000, -0.0481777400000000 ] - [ 0.0013097900000000, 0.0002277100000000, -0.0011542000000000 ] - [ -0.0001124300000000, -0.0010521200000000, 0.0014122700000000 ]- atom: 49 displacement: [ -0.0099999774088725, 0.0000000000000000, 0.0000212561059198 ] forces: - [ 0.0044566100000000, -0.0067295900000000, 0.0031788400000000 ] - [ -0.0008865100000000, -0.0002369400000000, 0.0000681300000000 ] - [ -0.0001560800000000, -0.0000586300000000, -0.0000386300000000 ] - [ -0.0006308800000000, -0.0007904300000000, -0.0002180200000000 ] - [ -0.0004347200000000, -0.0005609200000000, 0.0001346700000000 ] - [ -0.0002518400000000, -0.0002640500000000, -0.0001270800000000 ] - [ -0.0024006300000000, 0.0089818300000000, -0.0005528100000000 ] - [ -0.0016972100000000, -0.0002490900000000, 0.0001367300000000 ] - [ 0.0001156400000000, -0.0002243600000000, 0.0003452600000000 ] - [ -0.0002845200000000, 0.0001906400000000, 0.0000358200000000 ] - [ -0.0005938400000000, 0.0000987600000000, 0.0005151500000000 ] - [ 0.0004251800000000, -0.0003201600000000, -0.0000748700000000 ] - [ -0.0002270100000000, 0.0011458100000000, -0.0000169300000000 ] - [ -0.0003288600000000, 0.0000431200000000, -0.0001050900000000 ] - [ 0.0004506000000000, -0.0002793500000000, 0.0001202500000000 ] - [ -0.0007675300000000, 0.0005172400000000, 0.0000152100000000 ] - [ -0.0003873000000000, 0.0003858500000000, 0.0002688600000000 ] - [ -0.0002176500000000, 0.0004097700000000, 0.0000574700000000 ] - [ -0.0032259700000000, -0.0006627500000000, 0.0055109600000000 ] - [ -0.0034865600000000, 0.0001189500000000, -0.0021433100000000 ] - [ 0.0053016100000000, 0.0008927600000000, -0.0062005300000000 ] - [ -0.0008381600000000, 0.0000034700000000, 0.0003126200000000 ] - [ -0.0003321300000000, -0.0000161200000000, 0.0004878200000000 ] - [ 0.0000779200000000, 0.0000088200000000, -0.0001818900000000 ] - [ -0.0000576100000000, -0.0001668800000000, 0.0003809100000000 ] - [ -0.0012238100000000, 0.0016127100000000, -0.0005355400000000 ] - [ 0.0005769700000000, -0.0004123400000000, -0.0003313700000000 ] - [ -0.0002540900000000, -0.0000012700000000, -0.0000878100000000 ] - [ 0.0001280800000000, 0.0000812300000000, -0.0001725400000000 ] - [ 0.0001549500000000, -0.0000656500000000, -0.0002064700000000 ] - [ -0.0004291700000000, -0.0001908500000000, -0.0000872100000000 ] - [ 0.0020943600000000, -0.0004633400000000, -0.0013189600000000 ] - [ 0.0008744800000000, -0.0004424600000000, -0.0000325400000000 ] - [ -0.0004278300000000, -0.0006551200000000, 0.0005096200000000 ] - [ 0.0003175600000000, -0.0004677300000000, -0.0000739200000000 ] - [ 0.0001594500000000, -0.0003798800000000, 0.0004026300000000 ] - [ -0.0000329700000000, -0.0000304100000000, -0.0000123200000000 ] - [ 0.0003573100000000, 0.0004504100000000, -0.0000824600000000 ] - [ 0.0003827000000000, -0.0003066800000000, -0.0000447700000000 ] - [ -0.0002906000000000, -0.0007558400000000, -0.0004058100000000 ] - [ 0.0002772300000000, -0.0000707800000000, -0.0001297800000000 ] - [ -0.0000409800000000, 0.0000090800000000, 0.0000112200000000 ] - [ -0.0000725300000000, 0.0003785500000000, 0.0001663600000000 ] - [ 0.0021158200000000, -0.0002623200000000, -0.0024059100000000 ] - [ -0.0043234200000000, -0.0011764300000000, -0.0015182000000000 ] - [ -0.0053890600000000, 0.0071588000000000, 0.0046297700000000 ] - [ 0.0008658200000000, 0.0004586800000000, -0.0004821000000000 ] - [ -0.0000871400000000, 0.0003946300000000, 0.0001328700000000 ] - [ 0.2315056600000000, -0.0191496400000000, -0.0310720100000000 ] - [ -0.0054645000000000, 0.0010477800000000, 0.0008910200000000 ] - [ -0.0008694200000000, 0.0016549900000000, 0.0039356500000000 ] - [ -0.0008124100000000, 0.0027354300000000, -0.0004457600000000 ] - [ -0.0008909200000000, 0.0000069200000000, 0.0029452500000000 ] - [ -0.0008095400000000, 0.0000503400000000, 0.0004900900000000 ] - [ -0.0010297300000000, 0.0055916100000000, 0.0107670500000000 ] - [ -0.0026223200000000, -0.0000885100000000, 0.0009056600000000 ] - [ -0.0009044500000000, -0.0260185400000000, 0.0204554900000000 ] - [ -0.0026240400000000, 0.0007233900000000, -0.0002094400000000 ] - [ -0.0005457800000000, -0.0006015900000000, 0.0019435000000000 ] - [ 0.0006446300000000, 0.0001710300000000, 0.0000459700000000 ] - [ -0.0009559600000000, -0.0005527000000000, -0.0007002300000000 ] - [ 0.0010092500000000, 0.0014056900000000, -0.0014562600000000 ] - [ 0.0004619500000000, 0.0001082200000000, -0.0017016400000000 ] - [ 0.0001735100000000, -0.0007311400000000, -0.0003751900000000 ] - [ 0.0001449700000000, 0.0003958900000000, -0.0011881700000000 ] - [ -0.0000217300000000, 0.0004581300000000, -0.0006276600000000 ] - [ -0.0003296300000000, 0.0002574400000000, -0.0012284200000000 ] - [ 0.0011670200000000, -0.0009054700000000, -0.0006223900000000 ] - [ -0.0026613800000000, -0.0003992500000000, -0.0013627600000000 ] - [ 0.0002363300000000, -0.0000456800000000, 0.0014370500000000 ] - [ 0.0003454500000000, -0.0007099300000000, -0.0013132100000000 ] - [ -0.0002787200000000, 0.0000117600000000, -0.0005685900000000 ] - [ -0.0011099100000000, -0.0000558200000000, 0.0004557600000000 ] - [ 0.0002804600000000, 0.0012944900000000, 0.0006928600000000 ] - [ -0.0006641400000000, 0.0009479000000000, 0.0000483900000000 ] - [ -0.0003388400000000, 0.0007349600000000, 0.0005856700000000 ] - [ -0.0003737100000000, 0.0004245400000000, 0.0000503600000000 ] - [ -0.0006530100000000, 0.0007331900000000, 0.0004628000000000 ] - [ -0.1113724300000000, -0.0230719100000000, -0.0221656300000000 ] - [ 0.0039659400000000, -0.0001323200000000, -0.0004566700000000 ] - [ -0.0009192700000000, -0.0005189700000000, -0.0016863600000000 ] - [ 0.0007170800000000, -0.0001345400000000, -0.0006537700000000 ] - [ 0.0003254600000000, 0.0000355800000000, -0.0013164800000000 ] - [ 0.0003968300000000, 0.0000556200000000, 0.0001169400000000 ] - [ -0.0020395700000000, 0.0003548200000000, -0.0004733600000000 ] - [ 0.0000611900000000, -0.0012621500000000, 0.0007238100000000 ] - [ -0.0030875000000000, 0.0002140300000000, -0.0002471500000000 ] - [ 0.0005244600000000, -0.0012813900000000, 0.0009267900000000 ] - [ -0.0003695600000000, -0.0008815100000000, 0.0002618700000000 ] - [ -0.0004885600000000, -0.0005499300000000, 0.0007774100000000 ] - [ -0.0001184200000000, -0.0017635600000000, -0.0021649200000000 ] - [ 0.0016781500000000, 0.0009012000000000, 0.0003518200000000 ] - [ -0.0085110000000000, 0.0015149900000000, -0.0002220700000000 ] - [ 0.0012953500000000, -0.0000384700000000, -0.0007908900000000 ] - [ -0.0000158300000000, 0.0001690200000000, -0.0010770000000000 ] - [ -0.0004627300000000, 0.0002451600000000, -0.0008575900000000 ] - [ 0.0008080500000000, -0.0002934700000000, 0.0007397900000000 ] - [ -0.0003838600000000, -0.0002266600000000, 0.0011655500000000 ] - [ -0.0003921700000000, 0.0001374800000000, 0.0010002100000000 ] - [ 0.0006398700000000, 0.0001619700000000, 0.0004970300000000 ] - [ 0.0001250700000000, -0.0001455100000000, 0.0008935300000000 ] - [ 0.0001511900000000, -0.0002733300000000, 0.0008001400000000 ] - [ 0.0030971700000000, 0.0002172500000000, 0.0000484800000000 ] - [ -0.0335100300000000, 0.0378702500000000, -0.0252551200000000 ] - [ 0.0017897900000000, 0.0001926400000000, 0.0029061800000000 ] - [ 0.0012791700000000, 0.0001303900000000, -0.0011217800000000 ] - [ 0.0006047500000000, 0.0005270200000000, -0.0002763800000000 ] - [ 0.0002317200000000, 0.0010649200000000, -0.0006328300000000 ] - [ 0.0004964300000000, 0.0002146300000000, 0.0008672400000000 ] - [ -0.0010948600000000, -0.0004804400000000, 0.0014188100000000 ] - [ 0.0023418000000000, 0.0023857700000000, 0.0013206900000000 ] - [ 0.0004307700000000, -0.0005118300000000, 0.0004268900000000 ] - [ -0.0002152900000000, 0.0001982600000000, 0.0009466700000000 ] - [ 0.0005217200000000, 0.0002071900000000, 0.0007886200000000 ] - [ 0.0012341500000000, -0.0002914900000000, -0.0000317500000000 ] - [ -0.0004313700000000, -0.0019771600000000, -0.0016671000000000 ] - [ 0.0012955700000000, -0.0015321300000000, 0.0002756500000000 ] - [ 0.0021157200000000, 0.0034570400000000, 0.0010231500000000 ] - [ 0.0002595100000000, -0.0008250500000000, -0.0004977100000000 ] - [ 0.0006726100000000, -0.0007084400000000, -0.0005365700000000 ] - [ -0.0012778800000000, -0.0018765000000000, -0.0009638100000000 ] - [ 0.0001371400000000, 0.0011332500000000, -0.0012175300000000 ] - [ -0.0006568000000000, 0.0007566900000000, -0.0004283000000000 ] - [ -0.0006211100000000, 0.0007560600000000, 0.0001226700000000 ] - [ -0.0005272500000000, 0.0004794500000000, -0.0001029200000000 ] - [ -0.0007020100000000, 0.0003286900000000, 0.0000768000000000 ] - [ -0.0007925200000000, -0.0004956100000000, 0.0003370500000000 ] - [ -0.0003677500000000, -0.0006972800000000, -0.0005263400000000 ] - [ -0.0008955200000000, 0.0005509400000000, -0.0002876100000000 ] - [ -0.0003289200000000, 0.0001310600000000, 0.0007725700000000 ] - [ -0.0003877600000000, -0.0006610600000000, -0.0005635700000000 ] - [ -0.0007105200000000, -0.0003220600000000, 0.0000430200000000 ] - [ 0.0016752900000000, 0.0004138300000000, -0.0005384800000000 ] - [ -0.0175472700000000, 0.0028543000000000, 0.0005798200000000 ] - [ 0.0006065300000000, -0.0004189600000000, -0.0001905800000000 ] - [ 0.0028293700000000, -0.0009544300000000, -0.0042101900000000 ] - [ 0.0003779800000000, 0.0010820500000000, 0.0009817600000000 ] - [ 0.0009530600000000, 0.0000722900000000, -0.0007969400000000 ] - [ 0.0009961400000000, -0.0008014400000000, 0.0002633000000000 ] - [ 0.0004614600000000, 0.0007029200000000, -0.0033584000000000 ] - [ 0.0035384100000000, -0.0008875700000000, -0.0006324100000000 ] - [ -0.0528183200000000, 0.0090815600000000, 0.0508892900000000 ] - [ -0.0001729400000000, -0.0012203900000000, 0.0015197000000000 ] - [ 0.0012193700000000, 0.0000410400000000, -0.0009901400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0060641800000000, 0.0072042600000000, 0.0000316700000000 ] - [ -0.0009563800000000, -0.0004037900000000, 0.0001800100000000 ] - [ -0.0007891100000000, -0.0007044900000000, 0.0009504200000000 ] - [ -0.0001736700000000, -0.0003481100000000, 0.0000852200000000 ] - [ -0.0003173500000000, -0.0007579200000000, -0.0002691700000000 ] - [ -0.0003943200000000, -0.0003389600000000, -0.0003399000000000 ] - [ -0.0081052900000000, 0.0016917100000000, -0.0033061200000000 ] - [ 0.0007006600000000, -0.0003875800000000, 0.0000636900000000 ] - [ 0.0001790700000000, 0.0000401900000000, -0.0005775700000000 ] - [ -0.0000972400000000, -0.0000570200000000, 0.0001669900000000 ] - [ -0.0006974300000000, -0.0000017800000000, 0.0011704600000000 ] - [ 0.0009580800000000, -0.0008516800000000, 0.0009415700000000 ] - [ -0.0008381500000000, 0.0017799800000000, -0.0000362200000000 ] - [ -0.0001498800000000, 0.0008283600000000, -0.0000259900000000 ] - [ -0.0002754400000000, 0.0014050700000000, -0.0004202100000000 ] - [ -0.0003490600000000, 0.0005943500000000, -0.0000079000000000 ] - [ -0.0003732100000000, 0.0004447300000000, 0.0002395700000000 ] - [ -0.0002774400000000, 0.0004907300000000, 0.0002267200000000 ] - [ 0.0004078200000000, -0.0012695800000000, -0.0015503000000000 ] - [ -0.0045503000000000, -0.0033768100000000, -0.0016127100000000 ] - [ -0.0002201500000000, -0.0021436500000000, 0.0022732500000000 ] - [ -0.0000621600000000, -0.0001157400000000, 0.0003581500000000 ] - [ -0.0003269700000000, -0.0001281900000000, 0.0001972200000000 ] - [ 0.0002103600000000, -0.0000885800000000, -0.0000246100000000 ] - [ 0.0002539100000000, 0.0003320300000000, 0.0000251000000000 ] - [ -0.0010927900000000, 0.0035122300000000, -0.0012182700000000 ] - [ 0.0010271300000000, 0.0004053400000000, 0.0002588100000000 ] - [ -0.0001060500000000, 0.0000060700000000, 0.0005345100000000 ] - [ 0.0000331000000000, 0.0001161200000000, -0.0002235300000000 ] - [ 0.0003297700000000, -0.0000085800000000, -0.0003904600000000 ] - [ -0.0008095400000000, 0.0001760200000000, -0.0006467900000000 ] - [ 0.0037948500000000, 0.0064597400000000, 0.0002241700000000 ] - [ -0.0002928600000000, -0.0001160700000000, -0.0002782000000000 ] - [ 0.0006070700000000, -0.0002140500000000, -0.0005814500000000 ] - [ 0.0002341300000000, -0.0005046500000000, 0.0001450300000000 ] - [ -0.0001702100000000, -0.0003660800000000, 0.0014834200000000 ] - [ -0.0000089300000000, 0.0004203200000000, -0.0000904900000000 ] - [ 0.0005362600000000, 0.0016469100000000, 0.0002222700000000 ] - [ -0.0002146800000000, 0.0003250800000000, -0.0003420400000000 ] - [ 0.0003152000000000, 0.0013922800000000, -0.0001961100000000 ] - [ 0.0001069400000000, 0.0001733800000000, -0.0000840500000000 ] - [ 0.0000961400000000, 0.0000402100000000, 0.0000245600000000 ] - [ -0.0000790700000000, -0.0000166200000000, -0.0003041700000000 ] - [ 0.0033911100000000, -0.0002859100000000, -0.0054828400000000 ] - [ 0.0006528300000000, 0.0009139300000000, -0.0000281900000000 ] - [ -0.0049632500000000, 0.0003505500000000, 0.0060663900000000 ] - [ 0.0002267500000000, 0.0002938800000000, -0.0001205900000000 ] - [ 0.0002848300000000, 0.0003871700000000, 0.0000740200000000 ] - [ 0.0185898400000000, -0.2525746700000000, -0.0084898800000000 ] - [ -0.0008146400000000, -0.0013104800000000, 0.0000436900000000 ] - [ 0.0002518500000000, -0.0013968100000000, 0.0005449800000000 ] - [ 0.0002041200000000, -0.0009886400000000, 0.0013197600000000 ] - [ -0.0014230400000000, -0.0013670700000000, 0.0041259400000000 ] - [ -0.0024976800000000, -0.0009826900000000, 0.0016878400000000 ] - [ -0.0256217500000000, 0.0014168100000000, 0.0374012400000000 ] - [ 0.0009776700000000, -0.0022085800000000, 0.0006401700000000 ] - [ 0.0057986900000000, 0.0015948600000000, -0.0107324200000000 ] - [ 0.0001546500000000, -0.0022038100000000, 0.0012367400000000 ] - [ -0.0003411800000000, -0.0004206800000000, 0.0016885900000000 ] - [ 0.0004171300000000, -0.0014546100000000, 0.0001447300000000 ] - [ -0.0008101700000000, 0.0014436200000000, -0.0006837000000000 ] - [ 0.0011464600000000, 0.0058437900000000, -0.0012958600000000 ] - [ -0.0001399600000000, 0.0008501900000000, -0.0007473300000000 ] - [ -0.0009781500000000, 0.0018049700000000, 0.0006499100000000 ] - [ 0.0001500100000000, 0.0017523400000000, -0.0008358800000000 ] - [ 0.0002125400000000, 0.0016355300000000, -0.0008460600000000 ] - [ -0.0005074500000000, 0.0017934500000000, -0.0019491900000000 ] - [ 0.0006685700000000, 0.0017409600000000, -0.0014877100000000 ] - [ 0.0001619900000000, 0.0002892900000000, -0.0010207700000000 ] - [ -0.0002146100000000, 0.0071298600000000, -0.0010677000000000 ] - [ 0.0004563000000000, 0.0004023100000000, -0.0009629600000000 ] - [ -0.0002618900000000, 0.0001147900000000, -0.0004294700000000 ] - [ -0.0009191100000000, -0.0031073800000000, -0.0000722900000000 ] - [ -0.0006360300000000, 0.0002477000000000, 0.0003221300000000 ] - [ -0.0007169700000000, -0.0000524900000000, 0.0003178700000000 ] - [ -0.0005109600000000, 0.0005577200000000, 0.0003157300000000 ] - [ -0.0003556900000000, -0.0002314700000000, -0.0003350500000000 ] - [ -0.0010875800000000, -0.0000353600000000, -0.0001845900000000 ] - [ 0.0231156000000000, 0.0216584900000000, 0.0049861700000000 ] - [ 0.0015629900000000, 0.0008806800000000, -0.0013567600000000 ] - [ 0.0000029900000000, 0.0002793600000000, -0.0008605400000000 ] - [ -0.0004253100000000, -0.0000534000000000, -0.0010193900000000 ] - [ 0.0003783000000000, 0.0007073600000000, -0.0010707700000000 ] - [ 0.0016728900000000, 0.0011879700000000, 0.0014218800000000 ] - [ -0.0010388400000000, -0.0012370300000000, 0.0012315600000000 ] - [ 0.0011881300000000, -0.0023025700000000, 0.0018025500000000 ] - [ -0.0001982500000000, -0.0044264700000000, -0.0020520100000000 ] - [ -0.0002902100000000, -0.0007578100000000, 0.0003054600000000 ] - [ -0.0003803800000000, -0.0006425100000000, 0.0003680800000000 ] - [ -0.0005642800000000, -0.0008173600000000, 0.0004989400000000 ] - [ 0.0075794700000000, -0.0000415900000000, 0.0012558400000000 ] - [ -0.0025586900000000, 0.0010875000000000, -0.0015737100000000 ] - [ 0.0002947300000000, 0.0000655600000000, 0.0025011500000000 ] - [ -0.0003693700000000, 0.0004308600000000, -0.0009185100000000 ] - [ -0.0000035200000000, 0.0001975100000000, -0.0009739000000000 ] - [ -0.0007702400000000, 0.0005905900000000, -0.0012937400000000 ] - [ 0.0007320500000000, -0.0008505100000000, 0.0009903400000000 ] - [ -0.0003289100000000, -0.0015734000000000, 0.0012868600000000 ] - [ 0.0002562300000000, -0.0006573600000000, 0.0009728700000000 ] - [ 0.0002278800000000, -0.0009500400000000, 0.0009265000000000 ] - [ 0.0001849100000000, -0.0004239500000000, 0.0008625600000000 ] - [ 0.0001586300000000, -0.0006330700000000, 0.0006597500000000 ] - [ 0.0004506200000000, 0.0007036000000000, -0.0002247700000000 ] - [ -0.0355301200000000, 0.0797141300000000, -0.0430549700000000 ] - [ -0.0001046600000000, 0.0012721100000000, -0.0012620600000000 ] - [ 0.0002624600000000, 0.0015467600000000, -0.0010457500000000 ] - [ 0.0007887200000000, 0.0006675200000000, -0.0001447400000000 ] - [ -0.0000760200000000, 0.0015785700000000, -0.0007933600000000 ] - [ 0.0007506900000000, 0.0000910600000000, 0.0011539200000000 ] - [ -0.0006260100000000, -0.0008771200000000, 0.0017043700000000 ] - [ -0.0004196100000000, -0.0001529500000000, 0.0008251700000000 ] - [ 0.0017501900000000, -0.0017630900000000, -0.0001954300000000 ] - [ -0.0002392200000000, -0.0000593700000000, 0.0003953200000000 ] - [ 0.0002024900000000, 0.0000989600000000, 0.0007953300000000 ] - [ 0.0008444000000000, -0.0009626500000000, -0.0004875600000000 ] - [ -0.0017014000000000, -0.0058429300000000, -0.0047932100000000 ] - [ 0.0011761300000000, -0.0002944200000000, 0.0005990300000000 ] - [ -0.0010554800000000, -0.0023703900000000, 0.0017124400000000 ] - [ 0.0007428300000000, -0.0006652300000000, 0.0001381300000000 ] - [ 0.0003712200000000, -0.0008932300000000, -0.0005786200000000 ] - [ -0.0022926300000000, -0.0058948600000000, 0.0023258000000000 ] - [ -0.0003351400000000, -0.0003406200000000, 0.0003145800000000 ] - [ 0.0000036200000000, 0.0002178800000000, -0.0009654800000000 ] - [ -0.0007058200000000, 0.0000530300000000, 0.0001137600000000 ] - [ -0.0010210300000000, -0.0004779900000000, 0.0013263400000000 ] - [ -0.0009919400000000, -0.0004439000000000, 0.0010846300000000 ] - [ -0.0001619400000000, -0.0026567600000000, -0.0012395200000000 ] - [ -0.0001889200000000, -0.0017555000000000, -0.0012286200000000 ] - [ 0.0001579200000000, -0.0040365900000000, -0.0022293700000000 ] - [ -0.0004465100000000, -0.0010790800000000, -0.0005723800000000 ] - [ -0.0003969200000000, -0.0009555500000000, -0.0007262100000000 ] - [ -0.0004889600000000, -0.0010483700000000, -0.0006681000000000 ] - [ 0.0006552900000000, 0.0021264000000000, 0.0018997800000000 ] - [ 0.0080884800000000, 0.1177932600000000, 0.0387558900000000 ] - [ 0.0006147400000000, 0.0011362800000000, 0.0006168400000000 ] - [ -0.0002126000000000, 0.0016208400000000, 0.0021143300000000 ] - [ 0.0006153900000000, 0.0017356700000000, 0.0009914500000000 ] - [ 0.0011375500000000, 0.0006248500000000, -0.0009015600000000 ] - [ 0.0015291700000000, 0.0014090800000000, -0.0014759500000000 ] - [ 0.0011478200000000, 0.0086887400000000, -0.0040923000000000 ] - [ 0.0000735200000000, 0.0005401500000000, -0.0008817500000000 ] - [ 0.0088333100000000, 0.0200445400000000, -0.0151110200000000 ] - [ 0.0006910200000000, 0.0001039100000000, -0.0000990400000000 ] - [ 0.0006083100000000, -0.0001438100000000, -0.0001303200000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0065579200000000, -0.0079020100000000, 0.0001532200000000 ] - [ 0.0003500800000000, -0.0004103300000000, 0.0000167000000000 ] - [ 0.0002084400000000, -0.0001330400000000, -0.0009466900000000 ] - [ -0.0003883500000000, -0.0004855800000000, -0.0000980300000000 ] - [ -0.0002758500000000, -0.0000620700000000, 0.0003989000000000 ] - [ -0.0001960300000000, -0.0004869900000000, 0.0004707900000000 ] - [ 0.0079993500000000, -0.0017247800000000, 0.0035821900000000 ] - [ -0.0009217200000000, 0.0003989700000000, 0.0001719100000000 ] - [ -0.0004462800000000, -0.0000119300000000, 0.0008012400000000 ] - [ -0.0001645900000000, 0.0000795300000000, 0.0000584800000000 ] - [ 0.0004406300000000, 0.0000085600000000, -0.0010727900000000 ] - [ -0.0012153200000000, 0.0008602900000000, -0.0008418100000000 ] - [ 0.0002702800000000, -0.0009487500000000, 0.0000216000000000 ] - [ -0.0004156500000000, 0.0000060500000000, 0.0000135600000000 ] - [ -0.0003189900000000, -0.0005718200000000, 0.0005568200000000 ] - [ -0.0002432200000000, 0.0002383700000000, 0.0001365600000000 ] - [ -0.0002142200000000, 0.0003891500000000, -0.0000364600000000 ] - [ -0.0003098900000000, 0.0003328200000000, -0.0000255000000000 ] - [ -0.0006784200000000, 0.0012485700000000, 0.0018206400000000 ] - [ 0.0042653400000000, 0.0033557000000000, 0.0018346300000000 ] - [ -0.0000572500000000, 0.0021009100000000, -0.0022158200000000 ] - [ -0.0001858100000000, 0.0001114000000000, -0.0002516500000000 ] - [ 0.0001056400000000, 0.0001229500000000, 0.0000320000000000 ] - [ -0.0004309600000000, 0.0000823600000000, 0.0002549700000000 ] - [ -0.0000304500000000, -0.0003291800000000, -0.0002594500000000 ] - [ 0.0012995300000000, -0.0034966000000000, 0.0009616500000000 ] - [ -0.0007591200000000, -0.0003956000000000, -0.0003625000000000 ] - [ 0.0003553900000000, -0.0000085100000000, -0.0006376500000000 ] - [ 0.0002259100000000, -0.0000945200000000, -0.0000049000000000 ] - [ -0.0000685000000000, 0.0000354800000000, 0.0001611400000000 ] - [ 0.0013988600000000, -0.0010086000000000, 0.0004464000000000 ] - [ -0.0032543100000000, -0.0073774300000000, -0.0004395000000000 ] - [ 0.0008826100000000, -0.0007079800000000, 0.0001443400000000 ] - [ -0.0000079200000000, -0.0005977500000000, 0.0004539800000000 ] - [ 0.0003396200000000, -0.0003173000000000, -0.0001344800000000 ] - [ 0.0007469100000000, -0.0004559300000000, -0.0014781300000000 ] - [ 0.0002528000000000, -0.0004352300000000, -0.0000195300000000 ] - [ -0.0002847800000000, -0.0016569600000000, -0.0003315000000000 ] - [ 0.0004795500000000, -0.0003472900000000, 0.0001173100000000 ] - [ -0.0000566500000000, -0.0014108500000000, -0.0000362100000000 ] - [ 0.0001170100000000, -0.0001780300000000, -0.0001488500000000 ] - [ 0.0001234900000000, -0.0000438700000000, -0.0002546500000000 ] - [ 0.0006617400000000, 0.0008604400000000, 0.0001803900000000 ] - [ -0.0027982500000000, 0.0011285900000000, 0.0053352600000000 ] - [ -0.0000945400000000, -0.0001113000000000, 0.0000193800000000 ] - [ 0.0054910800000000, 0.0004271700000000, -0.0060057100000000 ] - [ 0.0003625300000000, 0.0005210300000000, -0.0000836100000000 ] - [ 0.0003013100000000, 0.0004404500000000, -0.0002812500000000 ] - [ -0.0176032800000000, 0.2567868200000000, 0.0171159400000000 ] - [ 0.0008006500000000, 0.0018476400000000, 0.0018204000000000 ] - [ -0.0002474400000000, 0.0018580900000000, 0.0012840500000000 ] - [ -0.0002168900000000, 0.0014851400000000, 0.0005581300000000 ] - [ 0.0014023800000000, 0.0018902300000000, -0.0022377200000000 ] - [ 0.0024795900000000, 0.0014965400000000, 0.0001815300000000 ] - [ 0.0258042000000000, -0.0018783800000000, -0.0357475100000000 ] - [ -0.0010005400000000, 0.0017133000000000, 0.0012465700000000 ] - [ -0.0058776400000000, -0.0017013100000000, 0.0125341700000000 ] - [ -0.0001744200000000, 0.0017166000000000, 0.0006303100000000 ] - [ 0.0003497800000000, -0.0000814000000000, 0.0001595000000000 ] - [ -0.0004205400000000, 0.0009590200000000, 0.0017091400000000 ] - [ 0.0008109900000000, -0.0009391600000000, -0.0011623500000000 ] - [ -0.0011456200000000, -0.0053336200000000, -0.0005949900000000 ] - [ 0.0001665500000000, -0.0003223900000000, -0.0011473700000000 ] - [ 0.0009838100000000, -0.0012798100000000, -0.0025160800000000 ] - [ -0.0001450000000000, -0.0012618500000000, -0.0010384700000000 ] - [ -0.0002033100000000, -0.0011415300000000, -0.0010333600000000 ] - [ 0.0005292500000000, -0.0023175900000000, 0.0000587600000000 ] - [ -0.0006459100000000, -0.0022555000000000, -0.0004044100000000 ] - [ -0.0001537100000000, -0.0007858800000000, -0.0008630300000000 ] - [ 0.0001875600000000, -0.0075771800000000, -0.0008449300000000 ] - [ -0.0004526700000000, -0.0009088200000000, -0.0008863000000000 ] - [ 0.0002591300000000, -0.0006253700000000, -0.0014254100000000 ] - [ -0.0000131900000000, 0.0046421000000000, 0.0008683700000000 ] - [ -0.0002875200000000, 0.0012476200000000, 0.0004816500000000 ] - [ -0.0002140500000000, 0.0015410400000000, 0.0004931300000000 ] - [ -0.0004112600000000, 0.0009405900000000, 0.0005032700000000 ] - [ -0.0005619400000000, 0.0017351200000000, 0.0011448100000000 ] - [ 0.0001657300000000, 0.0015355000000000, 0.0009896100000000 ] - [ -0.0234488700000000, -0.0222221000000000, -0.0069780200000000 ] - [ -0.0019193400000000, -0.0012258000000000, -0.0004232300000000 ] - [ -0.0003540200000000, -0.0006266500000000, -0.0009042500000000 ] - [ 0.0000762100000000, -0.0002925800000000, -0.0007501800000000 ] - [ -0.0007409300000000, -0.0010623300000000, -0.0007059800000000 ] - [ -0.0020133500000000, -0.0015403000000000, -0.0031814900000000 ] - [ 0.0001000100000000, -0.0002654400000000, -0.0004155900000000 ] - [ -0.0021082700000000, 0.0008012800000000, -0.0009809600000000 ] - [ -0.0007075300000000, 0.0028390700000000, 0.0027854900000000 ] - [ -0.0006320400000000, -0.0007382800000000, 0.0004962400000000 ] - [ -0.0005428500000000, -0.0008499900000000, 0.0004294400000000 ] - [ -0.0003601700000000, -0.0006809100000000, 0.0003060300000000 ] - [ -0.0079765500000000, 0.0003831000000000, -0.0030424400000000 ] - [ 0.0022225700000000, -0.0007318100000000, -0.0001928100000000 ] - [ -0.0005748400000000, 0.0002611800000000, -0.0043236800000000 ] - [ 0.0000196100000000, -0.0000799700000000, -0.0008555800000000 ] - [ -0.0003503300000000, 0.0001496000000000, -0.0007963400000000 ] - [ 0.0004185100000000, -0.0002393600000000, -0.0004744100000000 ] - [ -0.0003882300000000, 0.0005052800000000, 0.0007752400000000 ] - [ 0.0006820300000000, 0.0012286700000000, 0.0004830500000000 ] - [ 0.0000802600000000, 0.0003023500000000, 0.0007972400000000 ] - [ 0.0001246900000000, 0.0005958800000000, 0.0008438600000000 ] - [ 0.0001682800000000, 0.0000721000000000, 0.0009103100000000 ] - [ 0.0001918100000000, 0.0002853500000000, 0.0011105200000000 ] - [ 0.0004987800000000, 0.0007873900000000, -0.0005754200000000 ] - [ 0.0348971700000000, -0.0761182700000000, 0.0402563400000000 ] - [ 0.0010223700000000, 0.0002353700000000, 0.0004548600000000 ] - [ 0.0006552300000000, -0.0000304300000000, 0.0002546300000000 ] - [ 0.0001447100000000, 0.0008272300000000, -0.0006668800000000 ] - [ 0.0010039300000000, -0.0000949200000000, -0.0000133400000000 ] - [ -0.0004091500000000, 0.0002611100000000, 0.0006184400000000 ] - [ 0.0009690200000000, 0.0012305100000000, 0.0000769200000000 ] - [ 0.0007609600000000, 0.0005077500000000, 0.0009507900000000 ] - [ -0.0013774100000000, 0.0021123800000000, 0.0019624100000000 ] - [ 0.0005733400000000, 0.0004074300000000, 0.0013628800000000 ] - [ 0.0001432600000000, 0.0002548500000000, 0.0009761800000000 ] - [ 0.0000932700000000, -0.0005134800000000, -0.0002992800000000 ] - [ 0.0026244900000000, 0.0043590800000000, 0.0040221100000000 ] - [ -0.0002490800000000, -0.0012102700000000, -0.0014174200000000 ] - [ 0.0019892000000000, 0.0008485500000000, -0.0026076900000000 ] - [ 0.0001818600000000, -0.0008293200000000, -0.0009364100000000 ] - [ 0.0005599200000000, -0.0006017100000000, -0.0002157700000000 ] - [ 0.0011560500000000, 0.0068566700000000, -0.0026953800000000 ] - [ -0.0007900100000000, 0.0013362400000000, -0.0006935400000000 ] - [ -0.0011398600000000, 0.0008228400000000, 0.0005874800000000 ] - [ -0.0004199600000000, 0.0009326500000000, -0.0004844900000000 ] - [ -0.0000756300000000, 0.0014526200000000, -0.0017556100000000 ] - [ -0.0001159200000000, 0.0014660700000000, -0.0015165500000000 ] - [ -0.0009721100000000, 0.0016726700000000, 0.0008834800000000 ] - [ -0.0009350800000000, 0.0007733500000000, 0.0008576600000000 ] - [ -0.0012747700000000, 0.0029966900000000, 0.0018118900000000 ] - [ -0.0006759300000000, 0.0000545000000000, 0.0001670400000000 ] - [ -0.0007264900000000, -0.0000620600000000, 0.0003276200000000 ] - [ -0.0006425000000000, 0.0000500100000000, 0.0002894700000000 ] - [ 0.0004976700000000, -0.0011298300000000, -0.0015534600000000 ] - [ -0.0065153300000000, -0.1224619300000000, -0.0422981700000000 ] - [ 0.0004950700000000, -0.0001433200000000, -0.0001859000000000 ] - [ 0.0013237900000000, -0.0006199800000000, -0.0016759700000000 ] - [ 0.0005084500000000, -0.0007353300000000, -0.0006034600000000 ] - [ -0.0000062400000000, 0.0003890800000000, 0.0012771300000000 ] - [ -0.0004201400000000, -0.0024314200000000, 0.0019112000000000 ] - [ -0.0000078700000000, -0.0097199900000000, 0.0044647300000000 ] - [ 0.0011020500000000, -0.0015674500000000, 0.0012395200000000 ] - [ -0.0078156500000000, -0.0212946700000000, 0.0154294300000000 ] - [ 0.0004419800000000, -0.0010989500000000, 0.0004803800000000 ] - [ 0.0004921500000000, -0.0008641600000000, 0.0005648700000000 ]- atom: 49 displacement: [ -0.0040808756811180, 0.0000000000000000, 0.0091294278941925 ] forces: - [ -0.0010850800000000, -0.0034837400000000, -0.0013979100000000 ] - [ -0.0003040500000000, -0.0002694900000000, -0.0003167600000000 ] - [ -0.0001119900000000, 0.0002183200000000, 0.0004187500000000 ] - [ -0.0004203000000000, -0.0004988700000000, 0.0000511100000000 ] - [ -0.0005253400000000, -0.0006327300000000, 0.0004775100000000 ] - [ -0.0001455900000000, -0.0004360500000000, 0.0003481700000000 ] - [ -0.0016582800000000, 0.0023267300000000, -0.0046194300000000 ] - [ -0.0021662900000000, 0.0002603900000000, -0.0010843600000000 ] - [ -0.0002226500000000, -0.0004223600000000, 0.0021369700000000 ] - [ -0.0002220800000000, 0.0000516900000000, 0.0003727800000000 ] - [ -0.0006798100000000, 0.0001545200000000, 0.0011517200000000 ] - [ 0.0008198200000000, -0.0002031700000000, 0.0007395500000000 ] - [ -0.0007084000000000, 0.0014986000000000, -0.0001928000000000 ] - [ -0.0002260500000000, 0.0005795600000000, -0.0001676100000000 ] - [ 0.0005750800000000, -0.0016602300000000, -0.0005611300000000 ] - [ -0.0005842900000000, 0.0003738000000000, -0.0001080400000000 ] - [ -0.0004266700000000, 0.0003050600000000, 0.0007310900000000 ] - [ -0.0000989800000000, 0.0002722900000000, 0.0004584800000000 ] - [ -0.0021558300000000, -0.0008758400000000, 0.0008442600000000 ] - [ 0.0018213100000000, 0.0006501500000000, 0.0008069200000000 ] - [ 0.0085260200000000, 0.0037943700000000, 0.0039874300000000 ] - [ -0.0009607600000000, -0.0000027100000000, -0.0001688400000000 ] - [ -0.0003191200000000, 0.0000982200000000, 0.0013150500000000 ] - [ 0.0000805200000000, 0.0001016200000000, 0.0005649700000000 ] - [ -0.0001782200000000, -0.0000941700000000, -0.0003763600000000 ] - [ 0.0006290200000000, -0.0018242600000000, 0.0004657100000000 ] - [ 0.0006538900000000, -0.0002313100000000, 0.0000217500000000 ] - [ -0.0001697700000000, 0.0002883100000000, -0.0003558700000000 ] - [ 0.0002300100000000, 0.0000439400000000, 0.0001883400000000 ] - [ 0.0001704700000000, -0.0000818200000000, 0.0003622300000000 ] - [ -0.0006361800000000, 0.0001256600000000, -0.0008493700000000 ] - [ 0.0040753600000000, 0.0033847200000000, -0.0027673500000000 ] - [ 0.0021329300000000, -0.0011352600000000, 0.0006666600000000 ] - [ -0.0009197900000000, -0.0011560300000000, 0.0009584600000000 ] - [ 0.0003335500000000, -0.0005151600000000, 0.0004176200000000 ] - [ -0.0000672100000000, -0.0004077600000000, 0.0013551200000000 ] - [ 0.0000453700000000, 0.0000436000000000, -0.0000547400000000 ] - [ 0.0005950200000000, 0.0007861100000000, 0.0000833000000000 ] - [ -0.0000368200000000, -0.0001132900000000, -0.0005140300000000 ] - [ -0.0005945600000000, -0.0016474700000000, -0.0008864100000000 ] - [ 0.0003607400000000, -0.0002014700000000, 0.0002811300000000 ] - [ -0.0000175600000000, -0.0000358000000000, 0.0003914000000000 ] - [ 0.0001422800000000, 0.0003667100000000, -0.0001322600000000 ] - [ 0.0007136800000000, -0.0010064700000000, 0.0023837700000000 ] - [ -0.0017373200000000, -0.0005308800000000, -0.0003918100000000 ] - [ -0.0072194300000000, 0.0102450500000000, -0.0003721700000000 ] - [ 0.0009437300000000, 0.0006906800000000, 0.0002316400000000 ] - [ -0.0002212400000000, 0.0005619900000000, 0.0008319400000000 ] - [ 0.1254623200000000, -0.0173243700000000, -0.2564242800000000 ] - [ -0.0022184700000000, -0.0002292800000000, 0.0000151800000000 ] - [ -0.0021678300000000, 0.0037300900000000, 0.0070950000000000 ] - [ 0.0000727600000000, 0.0019682700000000, 0.0012599300000000 ] - [ -0.0030930900000000, -0.0001753900000000, 0.0066655000000000 ] - [ 0.0009481500000000, 0.0005222300000000, 0.0016453400000000 ] - [ -0.0181355500000000, 0.0126128400000000, 0.0306333500000000 ] - [ -0.0000129900000000, -0.0004690300000000, 0.0004109000000000 ] - [ -0.0092753600000000, -0.0444301500000000, 0.0348615000000000 ] - [ -0.0010626900000000, 0.0004364800000000, -0.0000637200000000 ] - [ -0.0011391300000000, -0.0010996300000000, 0.0039683000000000 ] - [ 0.0010795600000000, 0.0006421400000000, 0.0022306600000000 ] - [ -0.0006001000000000, -0.0003001800000000, -0.0020257400000000 ] - [ 0.0008972200000000, 0.0010413900000000, -0.0016279500000000 ] - [ 0.0008935900000000, 0.0000138100000000, -0.0009469500000000 ] - [ -0.0004484600000000, -0.0015995900000000, -0.0007484200000000 ] - [ 0.0002929300000000, 0.0002065800000000, 0.0000244500000000 ] - [ -0.0002854000000000, 0.0002443800000000, 0.0005139200000000 ] - [ 0.0001310900000000, -0.0009780800000000, -0.0006459300000000 ] - [ 0.0001967000000000, -0.0010179900000000, -0.0000768500000000 ] - [ -0.0007126600000000, -0.0003771600000000, -0.0017666200000000 ] - [ -0.0021109300000000, -0.0002591000000000, -0.0055574800000000 ] - [ 0.0005023500000000, -0.0004732400000000, -0.0001009200000000 ] - [ -0.0004400300000000, 0.0003135000000000, 0.0005768600000000 ] - [ -0.0005742800000000, -0.0005348300000000, 0.0017952200000000 ] - [ 0.0004182900000000, 0.0014988200000000, 0.0014491200000000 ] - [ -0.0002061300000000, 0.0018938000000000, -0.0003214400000000 ] - [ -0.0005704800000000, 0.0006355300000000, 0.0001296600000000 ] - [ -0.0002985800000000, 0.0002017300000000, -0.0003439600000000 ] - [ -0.0010218500000000, 0.0004003400000000, -0.0002000300000000 ] - [ -0.0240292500000000, -0.0044116300000000, 0.0100374000000000 ] - [ 0.0019379700000000, -0.0005862100000000, 0.0007814900000000 ] - [ -0.0008401600000000, -0.0009214300000000, -0.0029702400000000 ] - [ 0.0001647300000000, -0.0002252900000000, -0.0011675000000000 ] - [ 0.0009627100000000, 0.0002674900000000, -0.0013423000000000 ] - [ -0.0013271400000000, -0.0002575600000000, -0.0015094400000000 ] - [ -0.0003900000000000, 0.0000492100000000, 0.0002584900000000 ] - [ -0.0011950800000000, -0.0002281600000000, 0.0000323200000000 ] - [ -0.0006208200000000, -0.0044849700000000, 0.0018514200000000 ] - [ 0.0000639600000000, -0.0010656600000000, 0.0008259700000000 ] - [ -0.0004220000000000, -0.0008508300000000, -0.0003834300000000 ] - [ -0.0007406500000000, -0.0003755700000000, -0.0000573000000000 ] - [ 0.0045207400000000, -0.0011322200000000, -0.0001955300000000 ] - [ -0.0011314100000000, -0.0001695200000000, -0.0001186800000000 ] - [ -0.0096560600000000, 0.0035094700000000, -0.0038961800000000 ] - [ 0.0012046000000000, -0.0000165600000000, -0.0007308700000000 ] - [ 0.0000008500000000, 0.0002450700000000, -0.0017405500000000 ] - [ -0.0009846100000000, 0.0002819500000000, -0.0016452700000000 ] - [ 0.0009279500000000, -0.0004719200000000, 0.0012441400000000 ] - [ -0.0007607900000000, -0.0002237800000000, 0.0018225500000000 ] - [ -0.0008336800000000, 0.0005740400000000, 0.0008745400000000 ] - [ 0.0009901600000000, 0.0005927300000000, 0.0005451900000000 ] - [ -0.0000985700000000, -0.0000544700000000, 0.0004103100000000 ] - [ 0.0002545000000000, -0.0002783900000000, 0.0002408800000000 ] - [ 0.0013978900000000, 0.0004622500000000, 0.0004060800000000 ] - [ 0.0100168300000000, -0.0264685700000000, 0.0307465300000000 ] - [ 0.0006004600000000, 0.0001956000000000, 0.0012918100000000 ] - [ 0.0020355400000000, -0.0007561900000000, -0.0013774500000000 ] - [ 0.0000962000000000, 0.0010570700000000, -0.0012314100000000 ] - [ 0.0000338100000000, 0.0016090000000000, -0.0016220700000000 ] - [ 0.0001252700000000, 0.0002641700000000, 0.0007361300000000 ] - [ -0.0002209200000000, 0.0003437200000000, 0.0006103000000000 ] - [ 0.0007711400000000, 0.0006990500000000, 0.0013806600000000 ] - [ 0.0006037200000000, 0.0013859400000000, 0.0028503100000000 ] - [ -0.0004427300000000, 0.0000367600000000, 0.0004526100000000 ] - [ 0.0005369800000000, 0.0000537100000000, 0.0003147200000000 ] - [ 0.0008057000000000, -0.0008964400000000, -0.0005154400000000 ] - [ -0.0011563300000000, -0.0045410500000000, -0.0037316900000000 ] - [ 0.0005738700000000, -0.0006316000000000, 0.0007493100000000 ] - [ 0.0043611800000000, 0.0073783200000000, 0.0045968600000000 ] - [ -0.0004330200000000, -0.0011454200000000, -0.0019931900000000 ] - [ 0.0006800800000000, -0.0007039200000000, -0.0011235200000000 ] - [ -0.0011872300000000, 0.0009615400000000, 0.0019319700000000 ] - [ -0.0005535200000000, 0.0004672700000000, 0.0001324600000000 ] - [ -0.0001823600000000, 0.0010020600000000, -0.0012975300000000 ] - [ -0.0004658100000000, 0.0009752700000000, -0.0007290800000000 ] - [ -0.0001386600000000, 0.0009452100000000, -0.0011080300000000 ] - [ -0.0005080400000000, 0.0007462600000000, -0.0007282500000000 ] - [ -0.0006959100000000, -0.0005681800000000, 0.0006493900000000 ] - [ -0.0008952700000000, -0.0000858000000000, 0.0005929000000000 ] - [ -0.0007220500000000, 0.0011677700000000, 0.0004528600000000 ] - [ -0.0005360400000000, -0.0000755800000000, 0.0004656400000000 ] - [ 0.0000314500000000, -0.0011428000000000, -0.0016980400000000 ] - [ -0.0004629500000000, -0.0006846300000000, -0.0009079800000000 ] - [ 0.0009226500000000, 0.0011837800000000, 0.0013245300000000 ] - [ -0.0034467900000000, 0.0519912800000000, 0.0399147500000000 ] - [ -0.0002186200000000, -0.0003461100000000, -0.0003107800000000 ] - [ 0.0054829700000000, -0.0030584400000000, -0.0092619600000000 ] - [ 0.0007106600000000, -0.0000792400000000, -0.0007095400000000 ] - [ 0.0017468100000000, -0.0009083500000000, -0.0026226300000000 ] - [ 0.0007356100000000, -0.0005305000000000, 0.0001730000000000 ] - [ 0.0042942100000000, 0.0027992700000000, -0.0082517700000000 ] - [ 0.0015119100000000, -0.0012705600000000, 0.0004329100000000 ] - [ -0.0804534300000000, 0.0112886600000000, 0.1185982800000000 ] - [ 0.0000967800000000, -0.0006555500000000, 0.0000609100000000 ] - [ 0.0019999800000000, 0.0009195200000000, -0.0029631600000000 ]- atom: 49 displacement: [ 0.0040808756811180, 0.0000000000000000, -0.0091294278941925 ] forces: - [ 0.0004774400000000, 0.0026113300000000, 0.0015990700000000 ] - [ -0.0002920100000000, -0.0005371900000000, 0.0005108700000000 ] - [ -0.0004584300000000, -0.0010392900000000, -0.0004236500000000 ] - [ -0.0001447400000000, -0.0003396300000000, -0.0000629600000000 ] - [ -0.0000685100000000, -0.0001928900000000, -0.0003397600000000 ] - [ -0.0004491700000000, -0.0003854300000000, -0.0002115100000000 ] - [ 0.0014171700000000, -0.0022679700000000, 0.0048247100000000 ] - [ 0.0019227100000000, -0.0002515800000000, 0.0013063200000000 ] - [ -0.0000409200000000, 0.0004446000000000, -0.0018905800000000 ] - [ -0.0000439300000000, -0.0000268500000000, -0.0001452500000000 ] - [ 0.0004151400000000, -0.0001499100000000, -0.0010417900000000 ] - [ -0.0010723400000000, 0.0002107100000000, -0.0006332600000000 ] - [ 0.0001321400000000, -0.0006610000000000, 0.0001784900000000 ] - [ -0.0003361400000000, 0.0002588100000000, 0.0001571500000000 ] - [ -0.0011632200000000, 0.0024601500000000, 0.0006826500000000 ] - [ -0.0000163600000000, 0.0004545500000000, 0.0002346600000000 ] - [ -0.0001619800000000, 0.0005225300000000, -0.0005192900000000 ] - [ -0.0004864200000000, 0.0005489200000000, -0.0002530900000000 ] - [ 0.0018836400000000, 0.0008471100000000, -0.0006008800000000 ] - [ -0.0020519800000000, -0.0006456900000000, -0.0005696600000000 ] - [ -0.0086483900000000, -0.0037513800000000, -0.0037887100000000 ] - [ 0.0006951400000000, -0.0000049100000000, 0.0002710000000000 ] - [ 0.0000958000000000, -0.0001030000000000, -0.0010742700000000 ] - [ -0.0003072600000000, -0.0001080400000000, -0.0003329400000000 ] - [ 0.0004010000000000, 0.0001017400000000, 0.0001434100000000 ] - [ -0.0003950400000000, 0.0017700900000000, -0.0006890400000000 ] - [ -0.0003923600000000, 0.0002327400000000, -0.0001298500000000 ] - [ 0.0004142200000000, -0.0002844800000000, 0.0002415400000000 ] - [ 0.0000330000000000, -0.0000182600000000, -0.0004110400000000 ] - [ 0.0000896000000000, 0.0001115400000000, -0.0005851300000000 ] - [ 0.0012197400000000, -0.0009581400000000, 0.0006393800000000 ] - [ -0.0034491600000000, -0.0042071900000000, 0.0025289900000000 ] - [ -0.0015210300000000, 0.0002986800000000, -0.0007916400000000 ] - [ 0.0015080500000000, 0.0003317300000000, -0.0010800800000000 ] - [ 0.0002472100000000, -0.0003097000000000, -0.0004035500000000 ] - [ 0.0006381400000000, -0.0004227000000000, -0.0013324500000000 ] - [ 0.0002029500000000, -0.0000568800000000, -0.0000501900000000 ] - [ -0.0003400700000000, -0.0007914900000000, -0.0001875300000000 ] - [ 0.0002968300000000, 0.0000877800000000, 0.0002832500000000 ] - [ 0.0008504500000000, 0.0016110600000000, 0.0006484600000000 ] - [ -0.0001340100000000, 0.0001921800000000, -0.0005103200000000 ] - [ 0.0002347300000000, 0.0000298100000000, -0.0006172600000000 ] - [ 0.0004484600000000, 0.0004840300000000, 0.0000035300000000 ] - [ -0.0001260300000000, 0.0018490900000000, -0.0025065700000000 ] - [ 0.0022603000000000, 0.0013233900000000, 0.0003825900000000 ] - [ 0.0076545200000000, -0.0092450200000000, 0.0003954900000000 ] - [ -0.0003425900000000, 0.0001330800000000, -0.0004335300000000 ] - [ 0.0007971100000000, 0.0002760000000000, -0.0010301400000000 ] - [ -0.1196776200000000, 0.0207899400000000, 0.2507033300000000 ] - [ 0.0021810200000000, 0.0007374600000000, 0.0018534700000000 ] - [ 0.0021485600000000, -0.0032365200000000, -0.0051852500000000 ] - [ -0.0000814800000000, -0.0014400900000000, 0.0006224300000000 ] - [ 0.0030897400000000, 0.0007054200000000, -0.0047839300000000 ] - [ -0.0009445800000000, -0.0000001800000000, 0.0002328800000000 ] - [ 0.0181084000000000, -0.0133910200000000, -0.0287176500000000 ] - [ 0.0000146000000000, -0.0000450000000000, 0.0014631900000000 ] - [ 0.0090776700000000, 0.0433358600000000, -0.0324738300000000 ] - [ 0.0010320600000000, -0.0009302900000000, 0.0019144200000000 ] - [ 0.0011388700000000, 0.0005770600000000, -0.0020906200000000 ] - [ -0.0010660700000000, -0.0011323400000000, -0.0003638400000000 ] - [ 0.0005930300000000, 0.0008035700000000, 0.0001657400000000 ] - [ -0.0008845700000000, -0.0005343200000000, -0.0002407600000000 ] - [ -0.0008576100000000, 0.0005107000000000, -0.0009545600000000 ] - [ 0.0004573500000000, 0.0020945100000000, -0.0011398800000000 ] - [ -0.0002849000000000, 0.0002801800000000, -0.0018862100000000 ] - [ 0.0002914400000000, 0.0002465000000000, -0.0023777000000000 ] - [ -0.0001044100000000, 0.0004300700000000, -0.0012321700000000 ] - [ -0.0001730100000000, 0.0004976600000000, -0.0017919700000000 ] - [ 0.0006989300000000, -0.0001129200000000, -0.0001229600000000 ] - [ 0.0020865800000000, -0.0002292700000000, 0.0036016000000000 ] - [ -0.0005013600000000, -0.0000360800000000, -0.0017374600000000 ] - [ 0.0004346100000000, -0.0008068300000000, -0.0024218200000000 ] - [ -0.0003540100000000, 0.0020269100000000, -0.0009830400000000 ] - [ -0.0013381200000000, 0.0000057600000000, -0.0006395900000000 ] - [ -0.0007203800000000, -0.0003846700000000, 0.0011266100000000 ] - [ -0.0003531000000000, 0.0008614100000000, 0.0006851700000000 ] - [ -0.0006196100000000, 0.0012947600000000, 0.0011407500000000 ] - [ 0.0000927800000000, 0.0010890000000000, 0.0009939900000000 ] - [ 0.0236925500000000, 0.0040215500000000, -0.0114798800000000 ] - [ -0.0022511300000000, 0.0002283800000000, -0.0025314400000000 ] - [ 0.0004797800000000, 0.0005619800000000, 0.0011725600000000 ] - [ -0.0005098600000000, -0.0001232900000000, -0.0006045500000000 ] - [ -0.0013309800000000, -0.0006211500000000, -0.0004426800000000 ] - [ 0.0009618600000000, -0.0001003900000000, -0.0002787600000000 ] - [ -0.0005308100000000, -0.0015356000000000, 0.0005400200000000 ] - [ 0.0002303500000000, -0.0012479600000000, 0.0007584300000000 ] - [ -0.0003054000000000, 0.0028863700000000, -0.0010359200000000 ] - [ -0.0009777400000000, -0.0004362700000000, -0.0000158100000000 ] - [ -0.0005040200000000, -0.0006491200000000, 0.0011699800000000 ] - [ -0.0001877900000000, -0.0011165000000000, 0.0008545600000000 ] - [ -0.0048599000000000, 0.0014788000000000, -0.0015984000000000 ] - [ 0.0007359200000000, 0.0005269000000000, -0.0016529800000000 ] - [ 0.0092206000000000, -0.0030916800000000, 0.0020748200000000 ] - [ -0.0015447100000000, 0.0003682100000000, -0.0010422200000000 ] - [ -0.0003560000000000, 0.0001098400000000, -0.0000420600000000 ] - [ 0.0006214300000000, 0.0000726000000000, -0.0001339700000000 ] - [ -0.0005689200000000, 0.0001245900000000, 0.0005250400000000 ] - [ 0.0010958500000000, -0.0001201200000000, -0.0000434500000000 ] - [ 0.0011618500000000, -0.0009167300000000, 0.0008997200000000 ] - [ -0.0006288200000000, -0.0009381100000000, 0.0012285500000000 ] - [ 0.0004564800000000, -0.0002971900000000, 0.0013581500000000 ] - [ 0.0000970900000000, -0.0000717100000000, 0.0015236500000000 ] - [ -0.0004633100000000, 0.0010129100000000, -0.0011948200000000 ] - [ -0.0095982700000000, 0.0283031500000000, -0.0314248400000000 ] - [ 0.0003203700000000, 0.0012950600000000, -0.0020692800000000 ] - [ -0.0010930700000000, 0.0022426700000000, 0.0005606400000000 ] - [ 0.0008305800000000, 0.0004351300000000, 0.0004107400000000 ] - [ 0.0009004100000000, -0.0001304100000000, 0.0008125800000000 ] - [ 0.0002128200000000, 0.0000906100000000, 0.0010349700000000 ] - [ 0.0005631700000000, 0.0000058800000000, 0.0011647100000000 ] - [ -0.0004040600000000, -0.0003285500000000, 0.0004042900000000 ] - [ -0.0002369000000000, -0.0010285400000000, -0.0010513800000000 ] - [ 0.0007828500000000, 0.0003131600000000, 0.0013112000000000 ] - [ -0.0001840100000000, 0.0002974100000000, 0.0014518600000000 ] - [ 0.0001382700000000, -0.0005716200000000, -0.0002621100000000 ] - [ 0.0020734100000000, 0.0030240500000000, 0.0029059600000000 ] - [ 0.0003649300000000, -0.0008625600000000, -0.0015453500000000 ] - [ -0.0033971900000000, -0.0087831700000000, -0.0053907300000000 ] - [ 0.0013511800000000, -0.0003487000000000, 0.0011828000000000 ] - [ 0.0002562800000000, -0.0007873600000000, 0.0003240500000000 ] - [ 0.0000564100000000, 0.0000457400000000, -0.0022862700000000 ] - [ -0.0005701200000000, 0.0005203300000000, -0.0005081500000000 ] - [ -0.0009566600000000, 0.0000389800000000, 0.0009194200000000 ] - [ -0.0006600200000000, 0.0000159400000000, 0.0003571700000000 ] - [ -0.0009539700000000, 0.0000320000000000, 0.0006652900000000 ] - [ -0.0006022200000000, 0.0002727400000000, 0.0002982500000000 ] - [ -0.0004339800000000, -0.0004210800000000, -0.0010081600000000 ] - [ -0.0002394000000000, -0.0009061400000000, -0.0009491000000000 ] - [ -0.0004027900000000, -0.0021408000000000, -0.0008369100000000 ] - [ -0.0005814600000000, -0.0009439200000000, -0.0008659300000000 ] - [ -0.0011464100000000, 0.0001137000000000, 0.0012797300000000 ] - [ -0.0006639700000000, -0.0003177500000000, 0.0005179000000000 ] - [ 0.0002357500000000, -0.0001485800000000, -0.0009602700000000 ] - [ 0.0044826100000000, -0.0531026600000000, -0.0402727300000000 ] - [ 0.0013234400000000, 0.0013327300000000, 0.0007289100000000 ] - [ -0.0043102600000000, 0.0040259900000000, 0.0095712200000000 ] - [ 0.0004118800000000, 0.0010723600000000, 0.0010861600000000 ] - [ -0.0006072900000000, 0.0019203500000000, 0.0029792300000000 ] - [ 0.0003759400000000, -0.0005091600000000, 0.0002577000000000 ] - [ -0.0031993100000000, -0.0037814300000000, 0.0087229300000000 ] - [ -0.0003183400000000, 0.0002338200000000, -0.0000821400000000 ] - [ 0.0766086400000000, -0.0128208300000000, -0.1108544900000000 ] - [ 0.0010335500000000, -0.0003462600000000, 0.0003117200000000 ] - [ -0.0008754000000000, -0.0019189200000000, 0.0033539000000000 ]- atom: 73 displacement: [ 0.0099999774088725, 0.0000000000000000, -0.0000212561059198 ] forces: - [ 0.0003155500000000, -0.0008902100000000, 0.0002316800000000 ] - [ -0.0006453400000000, -0.0004299100000000, 0.0001337100000000 ] - [ -0.0003100900000000, -0.0004375400000000, 0.0001932800000000 ] - [ -0.0003150000000000, -0.0003927100000000, -0.0001190700000000 ] - [ -0.0001969900000000, -0.0005236400000000, -0.0000095600000000 ] - [ -0.0004522400000000, -0.0005244100000000, -0.0000883600000000 ] - [ 0.0008032600000000, 0.0008110000000000, 0.0001858600000000 ] - [ -0.0004552000000000, -0.0000438100000000, 0.0002038300000000 ] - [ -0.0000745100000000, 0.0000533800000000, 0.0000958600000000 ] - [ -0.0001897600000000, -0.0000138600000000, -0.0001011700000000 ] - [ -0.0002514900000000, 0.0000999000000000, 0.0003191000000000 ] - [ -0.0001051200000000, 0.0000477000000000, -0.0000278900000000 ] - [ 0.0000407200000000, 0.0007965600000000, 0.0025505600000000 ] - [ -0.0012835000000000, 0.0007888300000000, -0.0003458700000000 ] - [ 0.0031228500000000, 0.0009647600000000, -0.0045874200000000 ] - [ -0.0006766000000000, 0.0006646400000000, -0.0000416100000000 ] - [ -0.0003488400000000, 0.0004503000000000, 0.0001406300000000 ] - [ -0.0002511000000000, 0.0004319100000000, -0.0001429200000000 ] - [ 0.0000030100000000, -0.0004403800000000, 0.0000951600000000 ] - [ -0.0001773600000000, 0.0000206200000000, 0.0001532000000000 ] - [ 0.0000332700000000, -0.0001676200000000, 0.0001081800000000 ] - [ -0.0003013900000000, -0.0001382300000000, 0.0000370100000000 ] - [ -0.0001355900000000, -0.0000114400000000, 0.0001438100000000 ] - [ -0.0001033300000000, -0.0000099100000000, 0.0000108900000000 ] - [ 0.0002631200000000, 0.0003919100000000, 0.0001626100000000 ] - [ -0.0001972200000000, -0.0013698900000000, -0.0000971700000000 ] - [ 0.0004440000000000, 0.0002929400000000, -0.0000688100000000 ] - [ -0.0001349100000000, -0.0000656800000000, 0.0000707400000000 ] - [ 0.0001219900000000, -0.0000146900000000, -0.0001426000000000 ] - [ 0.0001628400000000, -0.0000338200000000, -0.0003981900000000 ] - [ -0.0001570200000000, -0.0006423200000000, 0.0001808400000000 ] - [ 0.0027359500000000, 0.0013280500000000, 0.0009830400000000 ] - [ 0.0005205100000000, -0.0005504000000000, -0.0003639900000000 ] - [ 0.0000221200000000, -0.0003340100000000, 0.0000160400000000 ] - [ 0.0002281000000000, -0.0003336800000000, -0.0000221100000000 ] - [ 0.0003263400000000, -0.0003902400000000, -0.0000770700000000 ] - [ 0.0000871900000000, -0.0000468200000000, 0.0004063100000000 ] - [ 0.0003847400000000, 0.0003663500000000, -0.0010890600000000 ] - [ 0.0055738400000000, -0.0033999900000000, 0.0020401300000000 ] - [ -0.0007254500000000, 0.0000859000000000, 0.0006108200000000 ] - [ 0.0003585400000000, -0.0000426000000000, -0.0003427900000000 ] - [ -0.0000458900000000, 0.0000616400000000, -0.0001894300000000 ] - [ 0.0001816300000000, 0.0003811100000000, -0.0000343200000000 ] - [ 0.0003424900000000, 0.0001446300000000, -0.0000970300000000 ] - [ 0.0003860500000000, 0.0005308700000000, 0.0000121800000000 ] - [ 0.0001668600000000, 0.0001890900000000, 0.0000228000000000 ] - [ 0.0003450500000000, 0.0004088500000000, -0.0001482800000000 ] - [ 0.0002217300000000, 0.0003887300000000, -0.0001310200000000 ] - [ 0.0006526800000000, -0.0002033700000000, 0.0010912100000000 ] - [ -0.0007455200000000, 0.0000838800000000, 0.0015604200000000 ] - [ -0.0000861800000000, 0.0003494900000000, 0.0010745100000000 ] - [ 0.0001838600000000, -0.0003729600000000, 0.0004135500000000 ] - [ 0.0001956600000000, 0.0000117900000000, 0.0013176500000000 ] - [ -0.0001305500000000, 0.0002078300000000, 0.0007633500000000 ] - [ 0.0026487400000000, -0.0004974800000000, 0.0019474800000000 ] - [ -0.0009868800000000, -0.0004283300000000, 0.0010681900000000 ] - [ 0.0015718200000000, 0.0003183200000000, 0.0017376200000000 ] - [ -0.0005323300000000, -0.0019016100000000, -0.0000763600000000 ] - [ -0.0000881300000000, -0.0003382700000000, 0.0009339200000000 ] - [ 0.0000221600000000, -0.0001484800000000, 0.0006371900000000 ] - [ -0.0026444500000000, 0.0002798100000000, -0.0010910600000000 ] - [ 0.0340101000000000, 0.0350760500000000, 0.0247441400000000 ] - [ -0.0013162300000000, 0.0008268400000000, -0.0013933700000000 ] - [ -0.0008110900000000, 0.0004484100000000, 0.0004079300000000 ] - [ -0.0001334400000000, -0.0000758400000000, -0.0014015100000000 ] - [ 0.0002367200000000, 0.0007858800000000, -0.0013074200000000 ] - [ -0.0007491600000000, 0.0001197700000000, -0.0009173100000000 ] - [ 0.0008957600000000, -0.0024058200000000, -0.0023084400000000 ] - [ -0.0008262600000000, 0.0004671400000000, -0.0012000500000000 ] - [ -0.0016533300000000, -0.0017774100000000, 0.0025632400000000 ] - [ 0.0001997800000000, 0.0000269900000000, -0.0018076100000000 ] - [ -0.0002055200000000, -0.0003439800000000, -0.0007889400000000 ] - [ -0.0553245500000000, -0.0373945700000000, -0.0291149600000000 ] - [ 0.0005276000000000, 0.0013136500000000, 0.0006668400000000 ] - [ -0.0006815700000000, 0.0005542900000000, 0.0001224800000000 ] - [ -0.0001779800000000, 0.0009466600000000, 0.0008156500000000 ] - [ -0.0006768500000000, 0.0004611400000000, 0.0001623000000000 ] - [ -0.0001780000000000, 0.0007796100000000, 0.0009410900000000 ] - [ -0.0007279000000000, 0.0000864700000000, -0.0009491700000000 ] - [ 0.0002525400000000, -0.0000618100000000, -0.0009517400000000 ] - [ -0.0002467100000000, -0.0001540100000000, -0.0009241800000000 ] - [ -0.0001103900000000, -0.0000910300000000, -0.0007138200000000 ] - [ -0.0002446700000000, 0.0000581200000000, -0.0010457200000000 ] - [ -0.0001038800000000, -0.0001071000000000, -0.0008012700000000 ] - [ -0.0009828300000000, -0.0002182800000000, 0.0000826300000000 ] - [ -0.0000502500000000, -0.0006553600000000, 0.0006317100000000 ] - [ -0.0009800900000000, -0.0000728000000000, -0.0002483700000000 ] - [ -0.0000473600000000, -0.0010103000000000, 0.0006714400000000 ] - [ -0.0004829100000000, -0.0007024500000000, 0.0003855400000000 ] - [ -0.0003498400000000, -0.0008219500000000, 0.0006747600000000 ] - [ 0.0000582700000000, 0.0025638000000000, -0.0029677400000000 ] - [ 0.0007042100000000, -0.0003637900000000, -0.0006769700000000 ] - [ -0.0012777900000000, 0.0005720800000000, -0.0007031100000000 ] - [ 0.0008155300000000, 0.0001342400000000, -0.0006606000000000 ] - [ -0.0001273500000000, 0.0001465900000000, -0.0008833600000000 ] - [ -0.0001572100000000, 0.0001391000000000, -0.0007285900000000 ] - [ 0.0040600600000000, -0.0011485300000000, -0.0004411200000000 ] - [ 0.0059329800000000, 0.0029244800000000, 0.0041182000000000 ] - [ 0.0009096500000000, -0.0007179500000000, 0.0028892000000000 ] - [ 0.0007122500000000, -0.0003524400000000, 0.0008784600000000 ] - [ 0.0002760800000000, -0.0001846600000000, 0.0009177900000000 ] - [ 0.0001580900000000, -0.0002580000000000, 0.0011122600000000 ] - [ 0.0004794500000000, 0.0007852100000000, -0.0005634800000000 ] - [ 0.0003587300000000, 0.0013160800000000, -0.0005358500000000 ] - [ 0.0002644000000000, 0.0008482700000000, -0.0004381000000000 ] - [ 0.0006046100000000, 0.0008550300000000, -0.0004437000000000 ] - [ 0.0005072800000000, 0.0007223300000000, -0.0003381700000000 ] - [ 0.0003532000000000, 0.0009772800000000, -0.0003804500000000 ] - [ 0.0003635300000000, 0.0001016800000000, 0.0007861700000000 ] - [ -0.0001760400000000, 0.0005423900000000, 0.0014689200000000 ] - [ 0.0004967800000000, -0.0006658800000000, 0.0010279800000000 ] - [ 0.0009123400000000, 0.0005980200000000, 0.0007016200000000 ] - [ -0.0000290900000000, 0.0000307700000000, 0.0009535100000000 ] - [ 0.0003423400000000, 0.0002286400000000, 0.0009654200000000 ] - [ 0.0007690900000000, -0.0004891200000000, -0.0003496700000000 ] - [ -0.0002545300000000, -0.0019331300000000, -0.0002212400000000 ] - [ 0.0043843100000000, 0.0018556200000000, 0.0018615200000000 ] - [ 0.0019650700000000, -0.0026471200000000, -0.0018972600000000 ] - [ 0.0004066900000000, -0.0006989200000000, -0.0002145300000000 ] - [ 0.0005839700000000, -0.0007548100000000, -0.0002953200000000 ] - [ 0.0001839200000000, 0.0063142800000000, -0.0064999800000000 ] - [ -0.0002874600000000, -0.0000787200000000, -0.0000396200000000 ] - [ -0.0004194300000000, 0.0007100600000000, -0.0005405900000000 ] - [ -0.0006076300000000, -0.0002596300000000, 0.0005459200000000 ] - [ -0.0009738800000000, 0.0001430800000000, 0.0006674300000000 ] - [ -0.0003576500000000, 0.0005884800000000, -0.0002557600000000 ] - [ -0.0071429600000000, -0.0018832700000000, 0.0045045500000000 ] - [ 0.0007270300000000, -0.0009488500000000, -0.0012682500000000 ] - [ 0.0007796100000000, -0.0002511400000000, -0.0031164800000000 ] - [ 0.0000738300000000, -0.0010897000000000, -0.0002996200000000 ] - [ -0.0005651900000000, -0.0004775100000000, -0.0001239700000000 ] - [ -0.0007359800000000, -0.0003506500000000, 0.0003567700000000 ] - [ 0.0009832400000000, 0.0004996700000000, -0.0003453200000000 ] - [ -0.0000900000000000, -0.0005762700000000, 0.0007675400000000 ] - [ -0.0000513400000000, 0.0010229900000000, 0.0014005300000000 ] - [ 0.0007649800000000, 0.0003387400000000, -0.0001675300000000 ] - [ 0.0005370100000000, 0.0005603400000000, 0.0003832900000000 ] - [ 0.0005288100000000, 0.0004737800000000, 0.0001039800000000 ] - [ 0.0007031200000000, -0.0005335400000000, 0.0002803400000000 ] - [ 0.0002444200000000, -0.0000250500000000, -0.0000909600000000 ] - [ 0.0009655700000000, 0.0003457300000000, -0.0008963600000000 ] - [ 0.0005051800000000, -0.0004668600000000, 0.0002864900000000 ] - [ 0.0004257100000000, -0.0006182000000000, 0.0004762700000000 ] - [ 0.0006318300000000, -0.0004358600000000, 0.0001134900000000 ]- atom: 73 displacement: [ -0.0099999774088725, 0.0000000000000000, 0.0000212561059198 ] forces: - [ -0.0009039300000000, 0.0000694600000000, -0.0000333000000000 ] - [ 0.0000459700000000, -0.0003755000000000, 0.0000666100000000 ] - [ -0.0002574900000000, -0.0003911500000000, -0.0002050900000000 ] - [ -0.0002503600000000, -0.0004399300000000, 0.0001073400000000 ] - [ -0.0003960300000000, -0.0002982200000000, 0.0001383000000000 ] - [ -0.0001397000000000, -0.0002989100000000, 0.0002175000000000 ] - [ -0.0010340300000000, -0.0007623800000000, 0.0000560600000000 ] - [ 0.0002280300000000, 0.0000496000000000, 0.0000269900000000 ] - [ -0.0001861700000000, -0.0000300000000000, 0.0001344400000000 ] - [ -0.0000714100000000, 0.0000337200000000, 0.0003304500000000 ] - [ -0.0000038600000000, -0.0000940100000000, -0.0002138700000000 ] - [ -0.0001489000000000, -0.0000378200000000, 0.0001326800000000 ] - [ -0.0005916500000000, 0.0000355400000000, -0.0025760900000000 ] - [ 0.0007193900000000, 0.0000457200000000, 0.0003345000000000 ] - [ -0.0037008100000000, -0.0001402000000000, 0.0048064900000000 ] - [ 0.0000853100000000, 0.0001666000000000, 0.0001693400000000 ] - [ -0.0002391600000000, 0.0003782500000000, 0.0000627700000000 ] - [ -0.0003371200000000, 0.0003884300000000, 0.0003439400000000 ] - [ -0.0002603600000000, 0.0004134700000000, 0.0001369500000000 ] - [ -0.0000823000000000, -0.0000441300000000, 0.0000768400000000 ] - [ -0.0002833900000000, 0.0001629300000000, -0.0000004200000000 ] - [ 0.0000500200000000, 0.0001332700000000, 0.0000722700000000 ] - [ -0.0000837400000000, 0.0000054900000000, 0.0000902700000000 ] - [ -0.0001194600000000, 0.0000054600000000, 0.0002217500000000 ] - [ -0.0000475000000000, -0.0003790900000000, -0.0004006500000000 ] - [ 0.0004164700000000, 0.0013767900000000, -0.0001425500000000 ] - [ -0.0001909400000000, -0.0002865800000000, -0.0000371900000000 ] - [ 0.0003847000000000, 0.0000682000000000, -0.0001785600000000 ] - [ 0.0001361900000000, 0.0000384300000000, -0.0000880200000000 ] - [ 0.0000976100000000, 0.0000596500000000, 0.0001694800000000 ] - [ 0.0007457800000000, -0.0001934700000000, -0.0003834300000000 ] - [ -0.0022952100000000, -0.0020562000000000, -0.0012663100000000 ] - [ 0.0000752200000000, -0.0002780100000000, 0.0002342300000000 ] - [ 0.0005719500000000, -0.0004889100000000, -0.0001442600000000 ] - [ 0.0003469200000000, -0.0004871400000000, 0.0000336700000000 ] - [ 0.0002454500000000, -0.0004354800000000, 0.0000869800000000 ] - [ 0.0001599500000000, 0.0000359800000000, -0.0005125000000000 ] - [ -0.0001352600000000, -0.0003777800000000, 0.0009808900000000 ] - [ -0.0050246600000000, 0.0031796500000000, -0.0021028000000000 ] - [ 0.0009804200000000, -0.0001121800000000, -0.0008424500000000 ] - [ -0.0001365900000000, 0.0000357700000000, 0.0001071900000000 ] - [ 0.0002626400000000, -0.0000655200000000, -0.0000447400000000 ] - [ 0.0004034100000000, 0.0004616600000000, -0.0000942100000000 ] - [ 0.0002469900000000, 0.0006894500000000, -0.0000316500000000 ] - [ 0.0001855000000000, 0.0002939000000000, -0.0000010900000000 ] - [ 0.0003966200000000, 0.0006432600000000, -0.0000074800000000 ] - [ 0.0002476500000000, 0.0004103300000000, -0.0000540700000000 ] - [ 0.0003636200000000, 0.0004411100000000, -0.0000733200000000 ] - [ -0.0006441900000000, 0.0007062700000000, 0.0007577100000000 ] - [ 0.0007438300000000, 0.0004337100000000, 0.0003086700000000 ] - [ 0.0000867400000000, 0.0001423000000000, 0.0007945200000000 ] - [ -0.0001888700000000, 0.0008797400000000, 0.0014685900000000 ] - [ -0.0002110400000000, 0.0005130100000000, 0.0005691500000000 ] - [ 0.0001175300000000, 0.0003072300000000, 0.0011121900000000 ] - [ -0.0026418800000000, 0.0000198000000000, -0.0000638800000000 ] - [ 0.0009843700000000, -0.0000853100000000, 0.0008100400000000 ] - [ -0.0015860500000000, -0.0008264700000000, 0.0001725500000000 ] - [ 0.0005210100000000, 0.0013861000000000, 0.0019524900000000 ] - [ 0.0000955700000000, -0.0001798000000000, 0.0009253900000000 ] - [ -0.0000239600000000, -0.0003551100000000, 0.0012199700000000 ] - [ 0.0026309700000000, 0.0002347400000000, -0.0007643400000000 ] - [ -0.0339904100000000, -0.0351539500000000, -0.0269976600000000 ] - [ 0.0013392100000000, -0.0002974200000000, -0.0005057000000000 ] - [ 0.0008229100000000, 0.0000619300000000, -0.0022913300000000 ] - [ 0.0001405100000000, 0.0005706700000000, -0.0004760000000000 ] - [ -0.0002264400000000, -0.0002889900000000, -0.0005725500000000 ] - [ 0.0007680600000000, -0.0006357800000000, -0.0009721600000000 ] - [ -0.0008752200000000, 0.0018987000000000, 0.0004243500000000 ] - [ 0.0008291400000000, -0.0009539700000000, -0.0006844900000000 ] - [ 0.0016460700000000, 0.0012714300000000, -0.0044377700000000 ] - [ -0.0002046800000000, -0.0005344600000000, -0.0000433000000000 ] - [ 0.0002051300000000, -0.0001610900000000, -0.0010712400000000 ] - [ 0.0541459400000000, 0.0395098800000000, 0.0301802300000000 ] - [ -0.0014454700000000, 0.0001911100000000, 0.0001408700000000 ] - [ -0.0002463000000000, 0.0009444400000000, 0.0006915200000000 ] - [ -0.0007437300000000, 0.0005555500000000, 0.0000054700000000 ] - [ -0.0002412000000000, 0.0010406500000000, 0.0006421800000000 ] - [ -0.0007460200000000, 0.0007182800000000, -0.0001390100000000 ] - [ 0.0003678400000000, -0.0004397500000000, -0.0008234400000000 ] - [ -0.0006083800000000, -0.0002882900000000, -0.0008190600000000 ] - [ -0.0001172600000000, -0.0002002500000000, -0.0008507900000000 ] - [ -0.0002418200000000, -0.0002555300000000, -0.0010572500000000 ] - [ -0.0001207900000000, -0.0004109900000000, -0.0007323700000000 ] - [ -0.0002472200000000, -0.0002471200000000, -0.0009738200000000 ] - [ 0.0000564200000000, -0.0012880800000000, 0.0007368900000000 ] - [ -0.0008747000000000, -0.0008502500000000, 0.0001889700000000 ] - [ 0.0000601100000000, -0.0014246700000000, 0.0010504200000000 ] - [ -0.0008721500000000, -0.0004971100000000, 0.0001330300000000 ] - [ -0.0004404300000000, -0.0007941000000000, 0.0004122300000000 ] - [ -0.0005725800000000, -0.0006818600000000, 0.0001316000000000 ] - [ -0.0004412900000000, -0.0021897400000000, 0.0011756600000000 ] - [ -0.0010810100000000, 0.0007198400000000, -0.0010989600000000 ] - [ 0.0009150200000000, -0.0002247600000000, -0.0010836200000000 ] - [ -0.0011616700000000, 0.0002192200000000, -0.0011146700000000 ] - [ -0.0002325800000000, 0.0002024500000000, -0.0008890900000000 ] - [ -0.0001973000000000, 0.0002128500000000, -0.0010421100000000 ] - [ -0.0036778100000000, 0.0007898400000000, 0.0021893800000000 ] - [ -0.0056208200000000, -0.0033346900000000, -0.0023948300000000 ] - [ -0.0005800200000000, 0.0003697600000000, -0.0011214100000000 ] - [ -0.0003617200000000, 0.0000000600000000, 0.0008955700000000 ] - [ 0.0000782200000000, -0.0001665900000000, 0.0008550000000000 ] - [ 0.0001946200000000, -0.0000909500000000, 0.0006587300000000 ] - [ 0.0004497100000000, 0.0007012700000000, -0.0002307800000000 ] - [ 0.0005711400000000, 0.0001702600000000, -0.0002590900000000 ] - [ 0.0006555000000000, 0.0006512000000000, -0.0003664500000000 ] - [ 0.0003227100000000, 0.0006405000000000, -0.0003503200000000 ] - [ 0.0004240600000000, 0.0007701200000000, -0.0004767100000000 ] - [ 0.0005784700000000, 0.0005034500000000, -0.0004260200000000 ] - [ -0.0000211700000000, 0.0002477100000000, 0.0009879700000000 ] - [ 0.0005205100000000, -0.0001896500000000, 0.0003060100000000 ] - [ -0.0001518200000000, 0.0010171200000000, 0.0007471600000000 ] - [ -0.0005536100000000, -0.0002460600000000, 0.0010731000000000 ] - [ 0.0003692900000000, 0.0003162400000000, 0.0008138000000000 ] - [ 0.0000047100000000, 0.0001198500000000, 0.0008047900000000 ] - [ 0.0001708700000000, -0.0009847900000000, -0.0004362800000000 ] - [ 0.0011882200000000, 0.0004364100000000, -0.0005501400000000 ] - [ -0.0034064100000000, -0.0033283600000000, -0.0026468100000000 ] - [ -0.0010480000000000, 0.0011524600000000, 0.0010757100000000 ] - [ 0.0005207900000000, -0.0007925900000000, -0.0005810000000000 ] - [ 0.0003506100000000, -0.0007341700000000, -0.0004972500000000 ] - [ -0.0012932100000000, -0.0052987600000000, 0.0061079900000000 ] - [ -0.0008455000000000, 0.0010648400000000, -0.0003299800000000 ] - [ -0.0007215600000000, 0.0003241800000000, 0.0001706600000000 ] - [ -0.0005137400000000, 0.0012368800000000, -0.0009191400000000 ] - [ -0.0001204000000000, 0.0008348200000000, -0.0011019000000000 ] - [ -0.0007547700000000, 0.0004225900000000, -0.0001645300000000 ] - [ 0.0060401600000000, 0.0009324700000000, -0.0048775900000000 ] - [ -0.0018484600000000, -0.0000490300000000, 0.0008853000000000 ] - [ -0.0019044500000000, -0.0007484700000000, 0.0027273400000000 ] - [ -0.0011868800000000, 0.0000648000000000, -0.0001137200000000 ] - [ -0.0005580000000000, -0.0005314800000000, -0.0002715600000000 ] - [ -0.0003935800000000, -0.0006440300000000, -0.0007360700000000 ] - [ 0.0001643100000000, 0.0005141400000000, 0.0007077900000000 ] - [ 0.0012279400000000, 0.0015331800000000, -0.0003919200000000 ] - [ 0.0011551800000000, -0.0000278200000000, -0.0009697000000000 ] - [ 0.0003700900000000, 0.0006655300000000, 0.0005515600000000 ] - [ 0.0005908600000000, 0.0004390700000000, -0.0000029800000000 ] - [ 0.0006055200000000, 0.0005496000000000, 0.0002717700000000 ] - [ 0.0004052800000000, -0.0004874200000000, 0.0001557800000000 ] - [ 0.0008939200000000, -0.0009936900000000, 0.0004716800000000 ] - [ 0.0001924500000000, -0.0013638300000000, 0.0012338500000000 ] - [ 0.0005968200000000, -0.0005382200000000, 0.0001312200000000 ] - [ 0.0007076700000000, -0.0003790600000000, -0.0000986700000000 ] - [ 0.0004848200000000, -0.0005632700000000, 0.0002887500000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001903600000000, -0.0019353600000000, 0.0001998300000000 ] - [ -0.0005819600000000, -0.0007161700000000, 0.0000283300000000 ] - [ -0.0003969400000000, -0.0005359300000000, 0.0003050700000000 ] - [ -0.0003350000000000, -0.0004806900000000, 0.0000524900000000 ] - [ -0.0001626000000000, -0.0007013100000000, -0.0001605900000000 ] - [ -0.0005481200000000, -0.0006661500000000, -0.0001452900000000 ] - [ 0.0011813200000000, 0.0032357200000000, 0.0003644700000000 ] - [ 0.0001280100000000, 0.0000054400000000, 0.0005105000000000 ] - [ -0.0000125200000000, 0.0001836600000000, -0.0003807700000000 ] - [ -0.0001534000000000, 0.0000577100000000, -0.0000514900000000 ] - [ -0.0004140000000000, 0.0002063500000000, 0.0006030100000000 ] - [ 0.0003040500000000, -0.0000508000000000, 0.0001158100000000 ] - [ -0.0002868900000000, 0.0030954100000000, 0.0014777400000000 ] - [ -0.0015027700000000, 0.0011342400000000, -0.0007435100000000 ] - [ 0.0012443000000000, 0.0018411200000000, -0.0025873200000000 ] - [ -0.0005508100000000, 0.0008681600000000, 0.0001286100000000 ] - [ -0.0003143500000000, 0.0005002100000000, 0.0000320200000000 ] - [ -0.0002938600000000, 0.0005412800000000, -0.0000498400000000 ] - [ -0.0000864100000000, -0.0009397200000000, 0.0001821200000000 ] - [ 0.0000162300000000, -0.0000576500000000, 0.0002027000000000 ] - [ -0.0000624300000000, -0.0007634200000000, -0.0000099200000000 ] - [ -0.0001374100000000, -0.0003048100000000, 0.0000692300000000 ] - [ -0.0001502600000000, -0.0000409800000000, 0.0000938300000000 ] - [ -0.0000902200000000, -0.0000761300000000, 0.0000650200000000 ] - [ 0.0004826000000000, -0.0000717900000000, -0.0001098500000000 ] - [ -0.0004842400000000, -0.0015508200000000, -0.0003927000000000 ] - [ 0.0003507500000000, 0.0001307100000000, 0.0002639500000000 ] - [ 0.0000192600000000, -0.0000147400000000, 0.0002974300000000 ] - [ 0.0001150400000000, -0.0000494200000000, -0.0002029300000000 ] - [ 0.0002053900000000, -0.0000921600000000, -0.0004998800000000 ] - [ -0.0004030600000000, -0.0000154700000000, -0.0000011700000000 ] - [ 0.0027135800000000, 0.0007660800000000, 0.0011056000000000 ] - [ 0.0001045200000000, -0.0001518000000000, -0.0004924200000000 ] - [ 0.0003480600000000, -0.0000956500000000, -0.0004367600000000 ] - [ 0.0002211700000000, -0.0002841300000000, -0.0000499700000000 ] - [ 0.0000585600000000, -0.0002177300000000, 0.0003309000000000 ] - [ 0.0001231500000000, 0.0001031600000000, -0.0001068000000000 ] - [ 0.0002948400000000, 0.0009238200000000, -0.0013085100000000 ] - [ -0.0049091100000000, 0.0047481500000000, -0.0019695700000000 ] - [ -0.0003211800000000, 0.0005797500000000, 0.0010537300000000 ] - [ 0.0001610300000000, 0.0000598700000000, -0.0002249100000000 ] - [ 0.0000661800000000, 0.0000628500000000, -0.0001758900000000 ] - [ 0.0001535800000000, 0.0002441200000000, -0.0000872600000000 ] - [ 0.0002649400000000, -0.0002513200000000, 0.0000346100000000 ] - [ 0.0001635400000000, -0.0000560700000000, -0.0000330900000000 ] - [ 0.0003138900000000, -0.0002291000000000, -0.0000398300000000 ] - [ 0.0002611600000000, 0.0003066600000000, -0.0001595600000000 ] - [ 0.0002618200000000, 0.0003393400000000, -0.0001157500000000 ] - [ 0.0007967700000000, -0.0036349500000000, -0.0001370300000000 ] - [ -0.0005457000000000, -0.0002455000000000, 0.0015046500000000 ] - [ 0.0003201000000000, -0.0007456500000000, 0.0004769000000000 ] - [ 0.0000066300000000, -0.0005377300000000, 0.0005652600000000 ] - [ -0.0002012900000000, -0.0005358000000000, 0.0021083000000000 ] - [ 0.0000064600000000, 0.0000650000000000, 0.0008189900000000 ] - [ 0.0009873000000000, -0.0038888100000000, 0.0054397600000000 ] - [ -0.0005266200000000, -0.0002632700000000, 0.0010448300000000 ] - [ 0.0011086500000000, -0.0007366100000000, 0.0005808900000000 ] - [ -0.0005176900000000, -0.0018063300000000, 0.0001497700000000 ] - [ -0.0001285400000000, -0.0001520000000000, 0.0009798200000000 ] - [ 0.0001959900000000, -0.0003160300000000, 0.0006088300000000 ] - [ -0.0005103300000000, 0.0002112300000000, -0.0008558200000000 ] - [ 0.0360628500000000, 0.0771939500000000, 0.0445822200000000 ] - [ -0.0005320100000000, 0.0007781000000000, -0.0005925400000000 ] - [ -0.0006133400000000, 0.0010422800000000, 0.0004268400000000 ] - [ -0.0002155900000000, 0.0001624500000000, -0.0013762700000000 ] - [ 0.0003244000000000, 0.0010838300000000, -0.0017474200000000 ] - [ -0.0004306300000000, -0.0004804700000000, -0.0013230000000000 ] - [ 0.0012190200000000, -0.0053427500000000, -0.0045312500000000 ] - [ 0.0007955600000000, 0.0002127600000000, -0.0004585000000000 ] - [ -0.0041733000000000, -0.0018667600000000, 0.0060194600000000 ] - [ 0.0000741800000000, -0.0001698300000000, -0.0013203700000000 ] - [ -0.0000356400000000, -0.0003945900000000, -0.0009003100000000 ] - [ -0.0383730600000000, -0.1008021500000000, -0.0492532900000000 ] - [ 0.0000948300000000, 0.0003556200000000, 0.0000890800000000 ] - [ -0.0007536200000000, 0.0001584600000000, 0.0003417700000000 ] - [ -0.0004324600000000, 0.0005512100000000, 0.0005541000000000 ] - [ -0.0006536000000000, 0.0001611700000000, 0.0003546800000000 ] - [ -0.0002657000000000, 0.0005512400000000, 0.0009908200000000 ] - [ 0.0000643300000000, 0.0008991000000000, -0.0008157900000000 ] - [ -0.0000677600000000, 0.0001019700000000, -0.0009655700000000 ] - [ -0.0002705200000000, 0.0001008100000000, -0.0007302900000000 ] - [ -0.0001189600000000, -0.0000199200000000, -0.0007944700000000 ] - [ -0.0001247100000000, 0.0003630000000000, -0.0010961900000000 ] - [ -0.0002315200000000, 0.0000380600000000, -0.0008748900000000 ] - [ -0.0011392600000000, 0.0006182800000000, -0.0000149900000000 ] - [ -0.0002066700000000, -0.0004004300000000, 0.0005622700000000 ] - [ -0.0009960500000000, 0.0006224400000000, -0.0006163700000000 ] - [ -0.0005605000000000, -0.0004002900000000, 0.0001718300000000 ] - [ -0.0005081700000000, -0.0005613700000000, 0.0004199200000000 ] - [ -0.0003911300000000, -0.0006849000000000, 0.0006443300000000 ] - [ 0.0019964600000000, 0.0029786900000000, -0.0038684000000000 ] - [ -0.0001763900000000, -0.0003244000000000, -0.0009778400000000 ] - [ -0.0015717400000000, 0.0015626100000000, 0.0011859100000000 ] - [ 0.0002623500000000, 0.0001755200000000, -0.0006643200000000 ] - [ -0.0001015000000000, 0.0000834300000000, -0.0008043600000000 ] - [ -0.0003585000000000, 0.0001818300000000, -0.0010049100000000 ] - [ -0.0001221600000000, -0.0006381600000000, 0.0010024400000000 ] - [ 0.0087706000000000, -0.0056223200000000, 0.0014235600000000 ] - [ 0.0004292700000000, -0.0007748800000000, 0.0007220000000000 ] - [ 0.0003844400000000, -0.0005685200000000, 0.0008470600000000 ] - [ 0.0003113500000000, -0.0002609100000000, 0.0009994400000000 ] - [ 0.0002276400000000, -0.0004140200000000, 0.0011459900000000 ] - [ 0.0004226700000000, 0.0012443500000000, -0.0005439100000000 ] - [ -0.0001117100000000, 0.0025938000000000, -0.0010377700000000 ] - [ 0.0003623000000000, 0.0011661800000000, -0.0005111600000000 ] - [ 0.0003538700000000, 0.0012894100000000, -0.0006826000000000 ] - [ 0.0004890100000000, 0.0008741700000000, -0.0003338700000000 ] - [ 0.0002293400000000, 0.0013055400000000, -0.0004922400000000 ] - [ 0.0002829700000000, 0.0002631400000000, 0.0009802300000000 ] - [ 0.0006409700000000, 0.0007689400000000, 0.0015746300000000 ] - [ -0.0009697400000000, 0.0006424200000000, 0.0003943600000000 ] - [ 0.0012927700000000, 0.0009116500000000, 0.0005384300000000 ] - [ 0.0000930800000000, 0.0001531500000000, 0.0008843300000000 ] - [ 0.0002017300000000, 0.0002300200000000, 0.0009181200000000 ] - [ 0.0007172400000000, -0.0009708500000000, -0.0003728800000000 ] - [ -0.0007257300000000, -0.0014683600000000, -0.0030589200000000 ] - [ 0.0030614400000000, 0.0002019100000000, 0.0010482000000000 ] - [ -0.0014350500000000, -0.0006146300000000, 0.0003779200000000 ] - [ 0.0005111600000000, -0.0008694300000000, -0.0001079400000000 ] - [ 0.0004565300000000, -0.0009025600000000, -0.0002969000000000 ] - [ 0.0043168700000000, 0.0114085600000000, -0.0066817700000000 ] - [ -0.0004351200000000, 0.0005202500000000, -0.0000619600000000 ] - [ -0.0004383800000000, 0.0005590400000000, -0.0004492000000000 ] - [ -0.0005401500000000, 0.0001750500000000, 0.0000735400000000 ] - [ -0.0012972100000000, -0.0001646500000000, 0.0014746500000000 ] - [ -0.0004124500000000, 0.0004537600000000, -0.0000029500000000 ] - [ -0.0069406700000000, 0.0029853700000000, 0.0116272600000000 ] - [ 0.0000906800000000, -0.0003835100000000, -0.0001867800000000 ] - [ 0.0009036100000000, -0.0020366100000000, -0.0032653100000000 ] - [ -0.0003548900000000, -0.0013003600000000, -0.0009978800000000 ] - [ -0.0006694100000000, -0.0004597000000000, 0.0000493400000000 ] - [ -0.0006538000000000, -0.0004570700000000, 0.0001098700000000 ] - [ 0.0010205300000000, 0.0005299200000000, -0.0000227600000000 ] - [ -0.0019675600000000, 0.0100665300000000, -0.0013033100000000 ] - [ 0.0003076900000000, 0.0010069900000000, 0.0012381500000000 ] - [ -0.0000215900000000, 0.0012705600000000, 0.0017943300000000 ] - [ 0.0004701700000000, 0.0005920300000000, 0.0004693500000000 ] - [ 0.0007295400000000, 0.0005038500000000, -0.0001729100000000 ] - [ 0.0006564000000000, -0.0004060600000000, 0.0002653300000000 ] - [ 0.0007485100000000, 0.0012382500000000, -0.0011896500000000 ] - [ 0.0010557400000000, 0.0004412600000000, -0.0007550800000000 ] - [ 0.0004219900000000, 0.0003240800000000, 0.0000340000000000 ] - [ 0.0005266600000000, -0.0004198100000000, 0.0002883800000000 ] - [ 0.0004756600000000, -0.0005147600000000, 0.0003683600000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007865500000000, 0.0011161100000000, -0.0000012100000000 ] - [ -0.0000151800000000, -0.0000929500000000, 0.0001722500000000 ] - [ -0.0001720300000000, -0.0002935400000000, -0.0003183100000000 ] - [ -0.0002295500000000, -0.0003565600000000, -0.0000625800000000 ] - [ -0.0004290900000000, -0.0001246100000000, 0.0002905700000000 ] - [ -0.0000446700000000, -0.0001567100000000, 0.0002757500000000 ] - [ -0.0012308700000000, -0.0029146800000000, -0.0000635900000000 ] - [ -0.0003503900000000, -0.0000007400000000, -0.0002768000000000 ] - [ -0.0002494800000000, -0.0001603500000000, 0.0006092600000000 ] - [ -0.0001070300000000, -0.0000372400000000, 0.0002832000000000 ] - [ 0.0001573100000000, -0.0002031200000000, -0.0004949600000000 ] - [ -0.0005584200000000, 0.0000575000000000, -0.0000093800000000 ] - [ -0.0002724100000000, -0.0022565900000000, -0.0015200800000000 ] - [ 0.0009430300000000, -0.0002966500000000, 0.0007355100000000 ] - [ -0.0018294400000000, -0.0009844800000000, 0.0027155300000000 ] - [ -0.0000430400000000, -0.0000376700000000, 0.0000016900000000 ] - [ -0.0002715900000000, 0.0003297500000000, 0.0001717200000000 ] - [ -0.0002923200000000, 0.0002812900000000, 0.0002533000000000 ] - [ -0.0001789700000000, 0.0009212100000000, 0.0000503500000000 ] - [ -0.0002759700000000, 0.0000365600000000, 0.0000261600000000 ] - [ -0.0001906400000000, 0.0007589200000000, 0.0001148600000000 ] - [ -0.0001142500000000, 0.0003014100000000, 0.0000396700000000 ] - [ -0.0000710200000000, 0.0000360900000000, 0.0001387700000000 ] - [ -0.0001326100000000, 0.0000726000000000, 0.0001689000000000 ] - [ -0.0002620300000000, 0.0000753700000000, -0.0001268800000000 ] - [ 0.0007135000000000, 0.0015561900000000, 0.0001606800000000 ] - [ -0.0001006700000000, -0.0001275100000000, -0.0003694500000000 ] - [ 0.0002327600000000, 0.0000156100000000, -0.0004065300000000 ] - [ 0.0001437800000000, 0.0000723000000000, -0.0000270800000000 ] - [ 0.0000549700000000, 0.0001173300000000, 0.0002720000000000 ] - [ 0.0009896800000000, -0.0008139300000000, -0.0002034800000000 ] - [ -0.0021857100000000, -0.0015604400000000, -0.0013327700000000 ] - [ 0.0004896000000000, -0.0006733000000000, 0.0003620500000000 ] - [ 0.0002483600000000, -0.0007249200000000, 0.0003065100000000 ] - [ 0.0003521500000000, -0.0005366100000000, 0.0000627300000000 ] - [ 0.0005150000000000, -0.0006098500000000, -0.0003196200000000 ] - [ 0.0001239800000000, -0.0001102900000000, -0.0000049600000000 ] - [ -0.0000420400000000, -0.0009332700000000, 0.0012046600000000 ] - [ 0.0052980900000000, -0.0047649800000000, 0.0018010400000000 ] - [ 0.0005814800000000, -0.0006034600000000, -0.0012880900000000 ] - [ 0.0000595700000000, -0.0000648600000000, -0.0000075300000000 ] - [ 0.0001521300000000, -0.0000670000000000, -0.0000565100000000 ] - [ 0.0004317600000000, 0.0005983400000000, -0.0000425900000000 ] - [ 0.0003253200000000, 0.0010866800000000, -0.0001618300000000 ] - [ 0.0004059800000000, 0.0008787700000000, 0.0000428300000000 ] - [ 0.0002509600000000, 0.0010638900000000, 0.0000540600000000 ] - [ 0.0003309500000000, 0.0005117800000000, -0.0000433400000000 ] - [ 0.0003230400000000, 0.0004937400000000, -0.0000892200000000 ] - [ -0.0007876800000000, 0.0041235500000000, 0.0019648500000000 ] - [ 0.0005471800000000, 0.0007581500000000, 0.0003573400000000 ] - [ -0.0003214500000000, 0.0012292300000000, 0.0013887300000000 ] - [ -0.0000133200000000, 0.0010408600000000, 0.0013156800000000 ] - [ 0.0001810500000000, 0.0010592100000000, -0.0002173200000000 ] - [ -0.0000198800000000, 0.0004488400000000, 0.0010581300000000 ] - [ -0.0009958000000000, 0.0033746700000000, -0.0035235300000000 ] - [ 0.0005288800000000, -0.0002431900000000, 0.0008315600000000 ] - [ -0.0011258600000000, 0.0002281100000000, 0.0013184600000000 ] - [ 0.0005045700000000, 0.0012910900000000, 0.0017224300000000 ] - [ 0.0001367600000000, -0.0003599800000000, 0.0008779300000000 ] - [ -0.0001956400000000, -0.0001857000000000, 0.0012480700000000 ] - [ 0.0005252600000000, 0.0003023700000000, -0.0009918000000000 ] - [ -0.0375623200000000, -0.0786280800000000, -0.0483425600000000 ] - [ 0.0005756400000000, -0.0002550700000000, -0.0013034200000000 ] - [ 0.0006221600000000, -0.0005321200000000, -0.0023053200000000 ] - [ 0.0002230600000000, 0.0003306300000000, -0.0004977800000000 ] - [ -0.0003161000000000, -0.0005917700000000, -0.0001288000000000 ] - [ 0.0004534700000000, -0.0000425100000000, -0.0005736000000000 ] - [ -0.0012054700000000, 0.0048536600000000, 0.0026665300000000 ] - [ -0.0007859200000000, -0.0007050300000000, -0.0014186700000000 ] - [ 0.0041942500000000, 0.0013455300000000, -0.0079433000000000 ] - [ -0.0000833800000000, -0.0003405900000000, -0.0005188200000000 ] - [ 0.0000365600000000, -0.0001079300000000, -0.0009572900000000 ] - [ 0.0387667600000000, 0.1037359900000000, 0.0519349500000000 ] - [ -0.0010273900000000, 0.0011358200000000, 0.0007110500000000 ] - [ -0.0001740200000000, 0.0013388800000000, 0.0004714700000000 ] - [ -0.0004934500000000, 0.0009450800000000, 0.0002620000000000 ] - [ -0.0002620800000000, 0.0013427700000000, 0.0004538100000000 ] - [ -0.0006609500000000, 0.0009422900000000, -0.0001919600000000 ] - [ -0.0004120600000000, -0.0012479200000000, -0.0009543800000000 ] - [ -0.0002912800000000, -0.0004531700000000, -0.0008054400000000 ] - [ -0.0000891100000000, -0.0004542000000000, -0.0010433400000000 ] - [ -0.0002323000000000, -0.0003266800000000, -0.0009775300000000 ] - [ -0.0002360600000000, -0.0007143600000000, -0.0006809300000000 ] - [ -0.0001208200000000, -0.0003913900000000, -0.0009017000000000 ] - [ 0.0002159800000000, -0.0021269800000000, 0.0008345900000000 ] - [ -0.0007209700000000, -0.0011015500000000, 0.0002552600000000 ] - [ 0.0000783900000000, -0.0021218000000000, 0.0014243400000000 ] - [ -0.0003642700000000, -0.0011005300000000, 0.0006292800000000 ] - [ -0.0004148900000000, -0.0009362900000000, 0.0003780500000000 ] - [ -0.0005342900000000, -0.0008133500000000, 0.0001586300000000 ] - [ -0.0023445400000000, -0.0026071200000000, 0.0020685400000000 ] - [ -0.0002058700000000, 0.0006831800000000, -0.0007985600000000 ] - [ 0.0012153800000000, -0.0012064600000000, -0.0029470400000000 ] - [ -0.0006146100000000, 0.0001785000000000, -0.0011114200000000 ] - [ -0.0002544200000000, 0.0002656800000000, -0.0009688500000000 ] - [ 0.0000033500000000, 0.0001699500000000, -0.0007679200000000 ] - [ 0.0004454200000000, 0.0002974200000000, 0.0007720900000000 ] - [ -0.0084726100000000, 0.0053473300000000, 0.0003771300000000 ] - [ -0.0001117800000000, 0.0004297900000000, 0.0010265800000000 ] - [ -0.0000361600000000, 0.0002166000000000, 0.0009285100000000 ] - [ 0.0000448800000000, -0.0000913400000000, 0.0007738500000000 ] - [ 0.0001210700000000, 0.0000661200000000, 0.0006222900000000 ] - [ 0.0005066700000000, 0.0002427100000000, -0.0002495500000000 ] - [ 0.0010371600000000, -0.0011015300000000, 0.0002383900000000 ] - [ 0.0005594300000000, 0.0003349900000000, -0.0002926100000000 ] - [ 0.0005700900000000, 0.0002099100000000, -0.0001132200000000 ] - [ 0.0004415900000000, 0.0006211400000000, -0.0004809200000000 ] - [ 0.0007002800000000, 0.0001785100000000, -0.0003168500000000 ] - [ 0.0000596100000000, 0.0000898900000000, 0.0007964300000000 ] - [ -0.0003031100000000, -0.0004157800000000, 0.0001994600000000 ] - [ 0.0013162200000000, -0.0002822200000000, 0.0013825600000000 ] - [ -0.0009440500000000, -0.0005611500000000, 0.0012390200000000 ] - [ 0.0002524300000000, 0.0001978100000000, 0.0008834000000000 ] - [ 0.0001412400000000, 0.0001197000000000, 0.0008512000000000 ] - [ 0.0002207800000000, -0.0005073100000000, -0.0004118800000000 ] - [ 0.0016541300000000, -0.0000262800000000, 0.0022679000000000 ] - [ -0.0021278500000000, -0.0017028700000000, -0.0018560400000000 ] - [ 0.0023603200000000, -0.0008909000000000, -0.0011937100000000 ] - [ 0.0004158000000000, -0.0006256700000000, -0.0006896100000000 ] - [ 0.0004762900000000, -0.0005908500000000, -0.0004983500000000 ] - [ -0.0054961900000000, -0.0105137300000000, 0.0063136100000000 ] - [ -0.0006957800000000, 0.0004788000000000, -0.0003154600000000 ] - [ -0.0007018000000000, 0.0004741800000000, 0.0000806000000000 ] - [ -0.0005861300000000, 0.0008125900000000, -0.0004466600000000 ] - [ 0.0002018600000000, 0.0011409200000000, -0.0019070700000000 ] - [ -0.0006996800000000, 0.0005577200000000, -0.0004181700000000 ] - [ 0.0058718200000000, -0.0039689000000000, -0.0120415300000000 ] - [ -0.0012232500000000, -0.0006061500000000, -0.0001767700000000 ] - [ -0.0020104000000000, 0.0010583400000000, 0.0028570100000000 ] - [ -0.0007635600000000, 0.0002809200000000, 0.0005860900000000 ] - [ -0.0004513700000000, -0.0005527700000000, -0.0004490600000000 ] - [ -0.0004746100000000, -0.0005478500000000, -0.0004972100000000 ] - [ 0.0001244800000000, 0.0004893900000000, 0.0003937100000000 ] - [ 0.0030503700000000, -0.0089685000000000, 0.0016453000000000 ] - [ 0.0008029800000000, -0.0000143000000000, -0.0008163100000000 ] - [ 0.0011553800000000, -0.0002655000000000, -0.0014085300000000 ] - [ 0.0006565600000000, 0.0004065800000000, -0.0000894800000000 ] - [ 0.0004071600000000, 0.0005115800000000, 0.0005398400000000 ] - [ 0.0004532300000000, -0.0006133000000000, 0.0001662600000000 ] - [ 0.0003938200000000, -0.0022581200000000, 0.0015665000000000 ] - [ 0.0001045200000000, -0.0014666200000000, 0.0010975600000000 ] - [ 0.0006803200000000, -0.0013326200000000, 0.0003845300000000 ] - [ 0.0006054000000000, -0.0005718400000000, 0.0000886000000000 ] - [ 0.0006370900000000, -0.0004922700000000, 0.0000429200000000 ]- atom: 73 displacement: [ -0.0040808756811180, 0.0000000000000000, 0.0091294278941925 ] forces: - [ -0.0001957300000000, -0.0007006800000000, 0.0003259400000000 ] - [ -0.0003189700000000, -0.0004743900000000, 0.0002294700000000 ] - [ -0.0003030000000000, -0.0004120500000000, 0.0000253500000000 ] - [ -0.0003598900000000, -0.0003342700000000, -0.0000351200000000 ] - [ -0.0001827200000000, -0.0004744600000000, -0.0001265500000000 ] - [ -0.0004369600000000, -0.0005072500000000, -0.0001333200000000 ] - [ -0.0007974900000000, -0.0012574800000000, 0.0004588400000000 ] - [ 0.0002386100000000, -0.0000356200000000, 0.0005752300000000 ] - [ -0.0000865800000000, 0.0000194800000000, -0.0003609400000000 ] - [ -0.0001888900000000, -0.0000937600000000, -0.0000490100000000 ] - [ -0.0000140400000000, 0.0000156900000000, -0.0001839900000000 ] - [ -0.0005086100000000, 0.0001336000000000, -0.0001156600000000 ] - [ 0.0020306300000000, 0.0017631500000000, -0.0023805400000000 ] - [ -0.0007055800000000, 0.0006121700000000, -0.0002573800000000 ] - [ -0.0040903400000000, -0.0002707700000000, 0.0074091700000000 ] - [ -0.0003829000000000, 0.0004074700000000, 0.0003067900000000 ] - [ -0.0001730600000000, 0.0004625000000000, -0.0002798900000000 ] - [ -0.0003498900000000, 0.0004447200000000, -0.0002259100000000 ] - [ -0.0000639800000000, 0.0001234900000000, 0.0003105100000000 ] - [ -0.0001090200000000, 0.0000102500000000, 0.0001997200000000 ] - [ -0.0001972600000000, -0.0004495700000000, 0.0001761500000000 ] - [ -0.0001032400000000, -0.0000781500000000, 0.0001054000000000 ] - [ -0.0000854300000000, -0.0000141700000000, -0.0000999400000000 ] - [ -0.0001799200000000, -0.0000011900000000, -0.0000370100000000 ] - [ 0.0002905900000000, -0.0001344100000000, 0.0000745100000000 ] - [ 0.0000220300000000, -0.0005100400000000, 0.0000175100000000 ] - [ 0.0001712200000000, 0.0003861600000000, 0.0000071000000000 ] - [ 0.0001175700000000, 0.0000918300000000, 0.0000211600000000 ] - [ 0.0001387000000000, -0.0000100300000000, -0.0002864600000000 ] - [ 0.0000882100000000, -0.0000492400000000, -0.0004354600000000 ] - [ 0.0003884800000000, -0.0003201900000000, 0.0002188500000000 ] - [ 0.0006980200000000, -0.0001074100000000, 0.0018626200000000 ] - [ 0.0000324700000000, -0.0005794300000000, -0.0003269200000000 ] - [ 0.0005040600000000, -0.0003593100000000, -0.0003880200000000 ] - [ 0.0002778700000000, -0.0003582100000000, -0.0001507800000000 ] - [ 0.0004163000000000, -0.0003970600000000, -0.0004396900000000 ] - [ 0.0002001300000000, 0.0000107700000000, -0.0002181700000000 ] - [ -0.0002381900000000, 0.0000311600000000, -0.0005956200000000 ] - [ -0.0012375300000000, 0.0007275000000000, 0.0003185300000000 ] - [ 0.0004980300000000, 0.0002939000000000, 0.0005806600000000 ] - [ 0.0001949000000000, 0.0000302400000000, -0.0005309700000000 ] - [ 0.0000335200000000, 0.0000735100000000, -0.0004366400000000 ] - [ 0.0003108500000000, 0.0003936400000000, -0.0000371900000000 ] - [ 0.0001491900000000, 0.0002773700000000, -0.0000052800000000 ] - [ 0.0002970200000000, 0.0004036300000000, 0.0000863100000000 ] - [ 0.0003450600000000, 0.0002482100000000, 0.0001060200000000 ] - [ 0.0002540100000000, 0.0004080900000000, -0.0002237600000000 ] - [ 0.0003230200000000, 0.0003943000000000, -0.0002661800000000 ] - [ -0.0003097500000000, 0.0000028100000000, 0.0022255600000000 ] - [ 0.0000379900000000, 0.0002559100000000, 0.0016016500000000 ] - [ 0.0003519700000000, -0.0004775400000000, 0.0002760400000000 ] - [ -0.0001406700000000, -0.0000292300000000, 0.0005308000000000 ] - [ 0.0002346900000000, 0.0002848400000000, 0.0002120000000000 ] - [ -0.0001204000000000, 0.0001923100000000, 0.0006556500000000 ] - [ -0.0004918400000000, 0.0020650900000000, 0.0022397900000000 ] - [ -0.0000799200000000, -0.0000980200000000, 0.0010918900000000 ] - [ 0.0001573700000000, -0.0012414900000000, 0.0008549300000000 ] - [ -0.0000795500000000, -0.0008569900000000, 0.0008617500000000 ] - [ 0.0001622300000000, -0.0001955100000000, 0.0002039200000000 ] - [ -0.0003586700000000, -0.0003806000000000, 0.0004346000000000 ] - [ 0.0006816300000000, 0.0000851600000000, -0.0002384000000000 ] - [ 0.0086369300000000, 0.0238500700000000, 0.0297604200000000 ] - [ -0.0024792700000000, 0.0008172400000000, -0.0004363000000000 ] - [ 0.0010015000000000, 0.0007705400000000, -0.0021729900000000 ] - [ -0.0000602300000000, 0.0001386200000000, -0.0016257600000000 ] - [ 0.0001163300000000, 0.0003828100000000, -0.0019162600000000 ] - [ -0.0000047500000000, -0.0004977800000000, -0.0012305200000000 ] - [ 0.0007911700000000, -0.0033962900000000, -0.0031905800000000 ] - [ -0.0002772000000000, 0.0003858500000000, 0.0000378200000000 ] - [ -0.0006337500000000, 0.0023465200000000, 0.0020512600000000 ] - [ 0.0000021600000000, 0.0001241800000000, -0.0021146200000000 ] - [ 0.0002105600000000, -0.0003767500000000, -0.0016578700000000 ] - [ -0.0050602300000000, -0.0296032700000000, -0.0478884100000000 ] - [ -0.0006254300000000, 0.0002354000000000, -0.0001751200000000 ] - [ -0.0005928000000000, 0.0007848900000000, 0.0010518200000000 ] - [ -0.0000817300000000, 0.0012112400000000, 0.0008754100000000 ] - [ -0.0006271400000000, 0.0008109900000000, 0.0010261800000000 ] - [ -0.0002060700000000, 0.0008706100000000, 0.0008124400000000 ] - [ -0.0001233300000000, 0.0000095000000000, -0.0012066200000000 ] - [ -0.0003153600000000, -0.0001137700000000, -0.0010939900000000 ] - [ -0.0002751400000000, -0.0000163800000000, -0.0006540300000000 ] - [ -0.0000889700000000, -0.0001325800000000, -0.0007575100000000 ] - [ -0.0003263100000000, -0.0002458800000000, -0.0006560700000000 ] - [ 0.0000086800000000, -0.0001391100000000, -0.0007740000000000 ] - [ -0.0008434900000000, -0.0000423600000000, -0.0001000500000000 ] - [ -0.0003850000000000, -0.0005828100000000, 0.0003612000000000 ] - [ -0.0005470900000000, -0.0006377200000000, 0.0000198300000000 ] - [ -0.0004273300000000, -0.0007878100000000, 0.0003322600000000 ] - [ -0.0004643000000000, -0.0007864900000000, 0.0006401400000000 ] - [ -0.0002566900000000, -0.0009449900000000, 0.0007856700000000 ] - [ -0.0017564200000000, -0.0019564300000000, -0.0000020100000000 ] - [ -0.0000432900000000, -0.0000861600000000, -0.0010575600000000 ] - [ -0.0009575400000000, 0.0018069400000000, 0.0005735800000000 ] - [ -0.0002510800000000, 0.0002714700000000, -0.0008825600000000 ] - [ -0.0002358100000000, 0.0001495000000000, -0.0006295300000000 ] - [ 0.0001556500000000, 0.0000921800000000, -0.0004698800000000 ] - [ -0.0020815500000000, 0.0003571300000000, 0.0010690900000000 ] - [ 0.0037203000000000, -0.0021097300000000, 0.0004213400000000 ] - [ 0.0028554500000000, -0.0013197000000000, 0.0038152100000000 ] - [ -0.0002133400000000, -0.0002773100000000, 0.0008307900000000 ] - [ 0.0002578300000000, -0.0002077400000000, 0.0011364800000000 ] - [ 0.0003251300000000, -0.0002359900000000, 0.0012901400000000 ] - [ 0.0003061700000000, 0.0008610000000000, -0.0006705100000000 ] - [ 0.0003806200000000, 0.0010933900000000, -0.0007343300000000 ] - [ 0.0005077300000000, 0.0008096400000000, -0.0004038400000000 ] - [ 0.0003615600000000, 0.0009648100000000, -0.0005067900000000 ] - [ 0.0005122200000000, 0.0006899600000000, -0.0002055500000000 ] - [ 0.0005338300000000, 0.0007242200000000, -0.0001172200000000 ] - [ 0.0001086700000000, 0.0002252900000000, 0.0009831000000000 ] - [ 0.0008426100000000, 0.0005042600000000, 0.0012302700000000 ] - [ 0.0001210700000000, -0.0000075400000000, 0.0005276100000000 ] - [ 0.0002577700000000, 0.0002934800000000, 0.0004830700000000 ] - [ 0.0001423000000000, 0.0000246900000000, 0.0010954800000000 ] - [ 0.0002001100000000, 0.0001567200000000, 0.0010869500000000 ] - [ 0.0003872300000000, -0.0008210400000000, -0.0003632600000000 ] - [ 0.0009106600000000, -0.0026847700000000, 0.0016564100000000 ] - [ 0.0009320000000000, -0.0004817800000000, -0.0006022600000000 ] - [ -0.0015159400000000, 0.0007501600000000, 0.0004609900000000 ] - [ 0.0006554900000000, -0.0004990300000000, 0.0000973500000000 ] - [ 0.0005120100000000, -0.0006493300000000, -0.0000371900000000 ] - [ -0.0002804500000000, 0.0038249700000000, -0.0081821100000000 ] - [ -0.0002802700000000, 0.0010900300000000, -0.0009675300000000 ] - [ -0.0008386800000000, -0.0000838900000000, 0.0004555300000000 ] - [ -0.0005095100000000, -0.0004778000000000, 0.0006417600000000 ] - [ -0.0010909300000000, 0.0000110400000000, 0.0008371100000000 ] - [ -0.0005210300000000, 0.0004059000000000, 0.0000513900000000 ] - [ 0.0009433600000000, 0.0078451400000000, 0.0077571200000000 ] - [ -0.0005050700000000, -0.0003046500000000, 0.0000423400000000 ] - [ -0.0033829700000000, -0.0037881600000000, 0.0019389200000000 ] - [ 0.0001290000000000, -0.0013649500000000, -0.0017528100000000 ] - [ -0.0008801000000000, -0.0001963800000000, 0.0005622300000000 ] - [ -0.0007341900000000, -0.0002838700000000, 0.0005660100000000 ] - [ 0.0006092300000000, 0.0002867300000000, -0.0002218700000000 ] - [ 0.0015495200000000, -0.0001721900000000, -0.0017948700000000 ] - [ 0.0005895400000000, 0.0008339700000000, 0.0005764300000000 ] - [ 0.0000364600000000, 0.0012047000000000, 0.0015394000000000 ] - [ 0.0004930400000000, 0.0006258400000000, 0.0005095900000000 ] - [ 0.0002471900000000, 0.0006580900000000, 0.0008939100000000 ] - [ 0.0004991100000000, -0.0005892900000000, 0.0003436900000000 ] - [ 0.0004968000000000, -0.0011051100000000, 0.0006289400000000 ] - [ 0.0007756200000000, -0.0000860000000000, -0.0003662300000000 ] - [ 0.0009955500000000, 0.0006612100000000, -0.0011135700000000 ] - [ 0.0005633600000000, -0.0006034800000000, 0.0004259700000000 ] - [ 0.0003419300000000, -0.0007050200000000, 0.0007099000000000 ]- atom: 73 displacement: [ 0.0040808756811180, 0.0000000000000000, -0.0091294278941925 ] forces: - [ -0.0003954300000000, -0.0001218300000000, -0.0001258800000000 ] - [ -0.0002805500000000, -0.0003314200000000, -0.0000282800000000 ] - [ -0.0002651500000000, -0.0004164700000000, -0.0000377600000000 ] - [ -0.0002049100000000, -0.0004995500000000, 0.0000245900000000 ] - [ -0.0004109500000000, -0.0003483300000000, 0.0002547200000000 ] - [ -0.0001534700000000, -0.0003177000000000, 0.0002612300000000 ] - [ 0.0005584900000000, 0.0012202000000000, -0.0002307100000000 ] - [ -0.0004603800000000, 0.0000409500000000, -0.0003400900000000 ] - [ -0.0001736200000000, 0.0000041200000000, 0.0005879800000000 ] - [ -0.0000756400000000, 0.0001101600000000, 0.0002753900000000 ] - [ -0.0002426400000000, -0.0000107700000000, 0.0002867900000000 ] - [ 0.0002532800000000, -0.0001253600000000, 0.0002183400000000 ] - [ -0.0025745800000000, -0.0009460400000000, 0.0022825000000000 ] - [ 0.0001407900000000, 0.0002263700000000, 0.0002441800000000 ] - [ 0.0032474400000000, 0.0010736700000000, -0.0067566400000000 ] - [ -0.0002082200000000, 0.0004238600000000, -0.0001757100000000 ] - [ -0.0004140900000000, 0.0003658100000000, 0.0004812600000000 ] - [ -0.0002389600000000, 0.0003755500000000, 0.0004255300000000 ] - [ -0.0001996100000000, -0.0001433400000000, -0.0000790700000000 ] - [ -0.0001512700000000, -0.0000303500000000, 0.0000300200000000 ] - [ -0.0000557300000000, 0.0004439300000000, -0.0000696000000000 ] - [ -0.0001478200000000, 0.0000744400000000, 0.0000030600000000 ] - [ -0.0001358500000000, 0.0000106000000000, 0.0003315700000000 ] - [ -0.0000431500000000, -0.0000021500000000, 0.0002692000000000 ] - [ -0.0000701800000000, 0.0001388500000000, -0.0003103900000000 ] - [ 0.0001997700000000, 0.0005074600000000, -0.0002537000000000 ] - [ 0.0000804300000000, -0.0003789200000000, -0.0001119500000000 ] - [ 0.0001337000000000, -0.0000877400000000, -0.0001276700000000 ] - [ 0.0001213600000000, 0.0000315600000000, 0.0000554900000000 ] - [ 0.0001719800000000, 0.0000740400000000, 0.0002051500000000 ] - [ 0.0001990500000000, -0.0005114100000000, -0.0004215700000000 ] - [ -0.0000955000000000, -0.0007143500000000, -0.0020525700000000 ] - [ 0.0005612800000000, -0.0002503400000000, 0.0001967500000000 ] - [ 0.0000929100000000, -0.0004624500000000, 0.0002559900000000 ] - [ 0.0002957700000000, -0.0004609800000000, 0.0001608600000000 ] - [ 0.0001571400000000, -0.0004292000000000, 0.0004497200000000 ] - [ 0.0000467900000000, -0.0000184200000000, 0.0001070800000000 ] - [ 0.0004912700000000, -0.0000380100000000, 0.0004849500000000 ] - [ 0.0014544800000000, -0.0007203600000000, -0.0005540400000000 ] - [ -0.0002381200000000, -0.0003144800000000, -0.0008060900000000 ] - [ 0.0000280600000000, -0.0000353300000000, 0.0002950200000000 ] - [ 0.0001868300000000, -0.0000732300000000, 0.0002036300000000 ] - [ 0.0002725700000000, 0.0004496300000000, -0.0000921300000000 ] - [ 0.0004400600000000, 0.0005565800000000, -0.0001230600000000 ] - [ 0.0002717900000000, 0.0004197400000000, -0.0000747800000000 ] - [ 0.0002210900000000, 0.0005845400000000, -0.0000906300000000 ] - [ 0.0003371300000000, 0.0004111200000000, 0.0000207400000000 ] - [ 0.0002634500000000, 0.0004360800000000, 0.0000608300000000 ] - [ 0.0003130100000000, 0.0004940800000000, -0.0003725700000000 ] - [ -0.0000368300000000, 0.0002587700000000, 0.0002652200000000 ] - [ -0.0003527900000000, 0.0009591600000000, 0.0015909100000000 ] - [ 0.0001330600000000, 0.0005330700000000, 0.0013518800000000 ] - [ -0.0002520000000000, 0.0002379800000000, 0.0016739300000000 ] - [ 0.0001073500000000, 0.0003207500000000, 0.0012167600000000 ] - [ 0.0004817900000000, -0.0025587900000000, -0.0003537200000000 ] - [ 0.0000779100000000, -0.0004120200000000, 0.0007860100000000 ] - [ -0.0001838100000000, 0.0007250900000000, 0.0010450300000000 ] - [ 0.0000666600000000, 0.0003394100000000, 0.0010162600000000 ] - [ -0.0001567100000000, -0.0003189900000000, 0.0016524500000000 ] - [ 0.0003574800000000, -0.0001232200000000, 0.0014205900000000 ] - [ -0.0006756700000000, 0.0004264500000000, -0.0016097900000000 ] - [ -0.0087927900000000, -0.0234501000000000, -0.0314398000000000 ] - [ 0.0024928400000000, -0.0002907800000000, -0.0014502200000000 ] - [ -0.0009785300000000, -0.0002553900000000, 0.0002792900000000 ] - [ 0.0000654200000000, 0.0003565600000000, -0.0002558400000000 ] - [ -0.0001046300000000, 0.0001120300000000, 0.0000329600000000 ] - [ 0.0000247300000000, -0.0000225000000000, -0.0006674500000000 ] - [ -0.0007736700000000, 0.0028864200000000, 0.0013054100000000 ] - [ 0.0002819700000000, -0.0008732200000000, -0.0019149100000000 ] - [ 0.0006315800000000, -0.0028417800000000, -0.0039056900000000 ] - [ -0.0000070600000000, -0.0006297400000000, 0.0002585300000000 ] - [ -0.0002062600000000, -0.0001220400000000, -0.0002052900000000 ] - [ 0.0045935300000000, 0.0312830900000000, 0.0480955200000000 ] - [ -0.0002986200000000, 0.0012612100000000, 0.0009773800000000 ] - [ -0.0003356600000000, 0.0007140900000000, -0.0002300400000000 ] - [ -0.0008383200000000, 0.0002931900000000, -0.0000535100000000 ] - [ -0.0002891500000000, 0.0006910300000000, -0.0002198000000000 ] - [ -0.0007180900000000, 0.0006262400000000, -0.0000085400000000 ] - [ -0.0002329100000000, -0.0003603100000000, -0.0005662200000000 ] - [ -0.0000446000000000, -0.0002352300000000, -0.0006778300000000 ] - [ -0.0000883000000000, -0.0003366500000000, -0.0011203300000000 ] - [ -0.0002641500000000, -0.0002131300000000, -0.0010147300000000 ] - [ -0.0000391900000000, -0.0001065200000000, -0.0011208100000000 ] - [ -0.0003607300000000, -0.0002137800000000, -0.0010008100000000 ] - [ -0.0000814700000000, -0.0014649600000000, 0.0009224000000000 ] - [ -0.0005400800000000, -0.0009192000000000, 0.0004589500000000 ] - [ -0.0003720700000000, -0.0008598700000000, 0.0007823900000000 ] - [ -0.0004946800000000, -0.0007171500000000, 0.0004693400000000 ] - [ -0.0004583000000000, -0.0007100300000000, 0.0001593200000000 ] - [ -0.0006652500000000, -0.0005592600000000, 0.0000226400000000 ] - [ 0.0013966400000000, 0.0023378500000000, -0.0017899500000000 ] - [ -0.0003355200000000, 0.0004396600000000, -0.0007183700000000 ] - [ 0.0006004100000000, -0.0014428700000000, -0.0023361300000000 ] - [ -0.0001018400000000, 0.0000835600000000, -0.0008944300000000 ] - [ -0.0001241500000000, 0.0001980800000000, -0.0011418100000000 ] - [ -0.0005113900000000, 0.0002592600000000, -0.0013004000000000 ] - [ 0.0024334600000000, -0.0007067600000000, 0.0006909800000000 ] - [ -0.0033476100000000, 0.0017724600000000, 0.0013580700000000 ] - [ -0.0025037000000000, 0.0009626800000000, -0.0020236600000000 ] - [ 0.0005588400000000, -0.0000745500000000, 0.0009424900000000 ] - [ 0.0000986300000000, -0.0001434900000000, 0.0006385700000000 ] - [ 0.0000283200000000, -0.0001117100000000, 0.0004816400000000 ] - [ 0.0006230400000000, 0.0006256400000000, -0.0001238100000000 ] - [ 0.0005477800000000, 0.0003972400000000, -0.0000639300000000 ] - [ 0.0004139700000000, 0.0006899900000000, -0.0004014900000000 ] - [ 0.0005631700000000, 0.0005332600000000, -0.0002892800000000 ] - [ 0.0004199400000000, 0.0008043700000000, -0.0006079500000000 ] - [ 0.0003976500000000, 0.0007568800000000, -0.0006887100000000 ] - [ 0.0002355600000000, 0.0001255400000000, 0.0007926100000000 ] - [ -0.0005031100000000, -0.0001516500000000, 0.0005464000000000 ] - [ 0.0002255300000000, 0.0003612900000000, 0.0012459000000000 ] - [ 0.0000974300000000, 0.0000568700000000, 0.0012881900000000 ] - [ 0.0001988700000000, 0.0003215500000000, 0.0006721800000000 ] - [ 0.0001466800000000, 0.0001910200000000, 0.0006834700000000 ] - [ 0.0005523500000000, -0.0006539600000000, -0.0004218000000000 ] - [ 0.0000133000000000, 0.0012067900000000, -0.0024565200000000 ] - [ -0.0000035400000000, -0.0010152200000000, -0.0002079100000000 ] - [ 0.0024250700000000, -0.0022318000000000, -0.0012686900000000 ] - [ 0.0002720300000000, -0.0009916400000000, -0.0008920500000000 ] - [ 0.0004220700000000, -0.0008398800000000, -0.0007551400000000 ] - [ -0.0008232700000000, -0.0028132000000000, 0.0077807800000000 ] - [ -0.0008517600000000, -0.0000946800000000, 0.0005932500000000 ] - [ -0.0003040500000000, 0.0011106900000000, -0.0008196300000000 ] - [ -0.0006126800000000, 0.0014508900000000, -0.0010093000000000 ] - [ -0.0000019800000000, 0.0009671900000000, -0.0012694200000000 ] - [ -0.0005916200000000, 0.0006108100000000, -0.0004706900000000 ] - [ -0.0021096700000000, -0.0089180700000000, -0.0081935700000000 ] - [ -0.0006199300000000, -0.0006881100000000, -0.0004128400000000 ] - [ 0.0022369000000000, 0.0027637100000000, -0.0023231400000000 ] - [ -0.0012366700000000, 0.0003289700000000, 0.0013173700000000 ] - [ -0.0002441200000000, -0.0008136900000000, -0.0009556200000000 ] - [ -0.0003968800000000, -0.0007078000000000, -0.0009390000000000 ] - [ 0.0005386800000000, 0.0007272000000000, 0.0005839300000000 ] - [ -0.0004153100000000, 0.0011374200000000, 0.0021669300000000 ] - [ 0.0005189400000000, 0.0001631300000000, -0.0001513200000000 ] - [ 0.0010941800000000, -0.0002003900000000, -0.0011480900000000 ] - [ 0.0006330800000000, 0.0003734500000000, -0.0001270200000000 ] - [ 0.0008866500000000, 0.0003616100000000, -0.0005190400000000 ] - [ 0.0006086100000000, -0.0004340400000000, 0.0000943400000000 ] - [ 0.0006416300000000, 0.0000813600000000, -0.0002416100000000 ] - [ 0.0003831200000000, -0.0009352400000000, 0.0007065400000000 ] - [ 0.0001104500000000, -0.0016573300000000, 0.0015213800000000 ] - [ 0.0005701800000000, -0.0003909700000000, -0.0000497100000000 ] - [ 0.0007695200000000, -0.0002980200000000, -0.0002985100000000 ]- atom: 79 displacement: [ 0.0099999774088725, 0.0000000000000000, -0.0000212561059198 ] forces: - [ 0.0046819800000000, -0.0021889700000000, 0.0017135900000000 ] - [ -0.0010494100000000, -0.0007461300000000, 0.0000556000000000 ] - [ -0.0003417800000000, -0.0004167400000000, 0.0002797500000000 ] - [ -0.0005154600000000, -0.0007231100000000, -0.0002693700000000 ] - [ -0.0003663900000000, -0.0004256000000000, 0.0001706400000000 ] - [ -0.0002855400000000, -0.0003088000000000, -0.0000937300000000 ] - [ 0.0030744500000000, 0.0030372500000000, 0.0008064600000000 ] - [ -0.0007276800000000, 0.0001604400000000, 0.0002253000000000 ] - [ -0.0001183600000000, -0.0000428200000000, 0.0003598300000000 ] - [ -0.0002248000000000, 0.0001788100000000, -0.0001274200000000 ] - [ -0.0002561300000000, -0.0000110000000000, 0.0001916000000000 ] - [ -0.0001611900000000, -0.0000956700000000, -0.0001109800000000 ] - [ 0.0000296900000000, 0.0006904900000000, -0.0000182900000000 ] - [ -0.0004223000000000, 0.0003435000000000, -0.0000314300000000 ] - [ -0.0000379300000000, 0.0002078400000000, 0.0001833000000000 ] - [ -0.0006637600000000, 0.0005788400000000, -0.0000015900000000 ] - [ -0.0003497300000000, 0.0004219300000000, 0.0001683500000000 ] - [ -0.0002459100000000, 0.0004006700000000, -0.0000100100000000 ] - [ -0.0006833000000000, -0.0000591700000000, 0.0040306800000000 ] - [ -0.0020760900000000, -0.0007327600000000, -0.0006027900000000 ] - [ 0.0045950600000000, 0.0005779700000000, -0.0015763100000000 ] - [ -0.0006751700000000, -0.0000943000000000, -0.0000898600000000 ] - [ -0.0002171700000000, -0.0000197900000000, 0.0002474900000000 ] - [ -0.0000335100000000, -0.0000005900000000, -0.0002207800000000 ] - [ 0.0001134100000000, -0.0003778100000000, 0.0003618500000000 ] - [ -0.0007836500000000, 0.0016223600000000, -0.0005112900000000 ] - [ 0.0007563000000000, -0.0002502700000000, -0.0002213600000000 ] - [ -0.0003103000000000, -0.0000942100000000, -0.0000226100000000 ] - [ 0.0001199100000000, 0.0000433900000000, -0.0001476500000000 ] - [ 0.0001214500000000, -0.0000212300000000, -0.0002469500000000 ] - [ 0.0001299500000000, -0.0002591900000000, 0.0001679400000000 ] - [ -0.0002201200000000, -0.0015632100000000, -0.0002341800000000 ] - [ 0.0008177400000000, -0.0003513200000000, -0.0001698900000000 ] - [ -0.0001341600000000, -0.0004052600000000, 0.0000573700000000 ] - [ 0.0002652800000000, -0.0004201600000000, -0.0000034400000000 ] - [ 0.0003618500000000, -0.0004140300000000, -0.0001809300000000 ] - [ 0.0000618800000000, 0.0000028400000000, 0.0000401100000000 ] - [ 0.0001318300000000, -0.0000488300000000, -0.0001755100000000 ] - [ 0.0005711400000000, -0.0002731100000000, 0.0000395300000000 ] - [ -0.0001446900000000, -0.0000611300000000, -0.0001784700000000 ] - [ 0.0002222100000000, -0.0000453700000000, -0.0001582000000000 ] - [ -0.0000061700000000, 0.0000187800000000, -0.0001163100000000 ] - [ 0.0000241300000000, 0.0003699700000000, 0.0004650700000000 ] - [ 0.0012191500000000, 0.0004912000000000, -0.0017070000000000 ] - [ 0.0011690700000000, 0.0010963400000000, 0.0008117900000000 ] - [ -0.0011067100000000, 0.0013239100000000, 0.0009298200000000 ] - [ 0.0007040000000000, 0.0003809300000000, -0.0004800600000000 ] - [ 0.0000628000000000, 0.0003531900000000, -0.0001351300000000 ] - [ 0.1112845800000000, 0.0228771300000000, 0.0250116400000000 ] - [ -0.0041265200000000, 0.0019965900000000, 0.0013764100000000 ] - [ -0.0005100900000000, 0.0007967700000000, 0.0019664300000000 ] - [ -0.0005828300000000, 0.0020784900000000, -0.0005672400000000 ] - [ 0.0007273200000000, 0.0004311600000000, 0.0005555200000000 ] - [ -0.0009026100000000, 0.0000060700000000, 0.0009096900000000 ] - [ 0.0083198900000000, -0.0006880700000000, -0.0056475200000000 ] - [ -0.0014703800000000, -0.0000566700000000, 0.0017879300000000 ] - [ -0.0000577300000000, -0.0079925200000000, 0.0060457700000000 ] - [ -0.0018734500000000, 0.0021458300000000, -0.0009264500000000 ] - [ -0.0001656400000000, -0.0004199300000000, 0.0010551100000000 ] - [ 0.0002790600000000, 0.0003470400000000, 0.0001763600000000 ] - [ -0.0006236000000000, -0.0003113900000000, -0.0003831800000000 ] - [ 0.0005557200000000, 0.0007543400000000, -0.0017028900000000 ] - [ 0.0005767400000000, 0.0001694300000000, -0.0017857700000000 ] - [ -0.0004592400000000, 0.0002017600000000, -0.0002662900000000 ] - [ 0.0000626900000000, 0.0002329700000000, -0.0012145900000000 ] - [ 0.0000357600000000, 0.0002566500000000, -0.0008403200000000 ] - [ -0.0003043900000000, 0.0003270400000000, -0.0011354000000000 ] - [ 0.0012820700000000, -0.0010422200000000, -0.0008066500000000 ] - [ -0.0021608200000000, -0.0008362700000000, -0.0012735100000000 ] - [ -0.0002551000000000, 0.0013314900000000, -0.0006162200000000 ] - [ 0.0003906500000000, -0.0006498100000000, -0.0014177000000000 ] - [ -0.0003459800000000, -0.0002174600000000, -0.0006900400000000 ] - [ -0.0010099500000000, 0.0009896500000000, 0.0002174000000000 ] - [ -0.0000315800000000, 0.0008608200000000, 0.0004467200000000 ] - [ -0.0005242200000000, 0.0008094700000000, 0.0002228900000000 ] - [ -0.0003885400000000, 0.0006957200000000, 0.0006441900000000 ] - [ -0.0005228600000000, 0.0006626500000000, 0.0002709200000000 ] - [ -0.0003964900000000, 0.0008051000000000, 0.0005248000000000 ] - [ -0.1412108500000000, -0.0307862700000000, -0.0276300900000000 ] - [ 0.0025870100000000, 0.0000894900000000, -0.0007175200000000 ] - [ -0.0003422400000000, -0.0002745600000000, -0.0013088000000000 ] - [ 0.0005072900000000, -0.0000976000000000, -0.0005267600000000 ] - [ -0.0003472300000000, -0.0002493500000000, -0.0013567600000000 ] - [ 0.0005084300000000, 0.0000169200000000, -0.0001166900000000 ] - [ -0.0015601000000000, 0.0006299900000000, -0.0009250500000000 ] - [ 0.0005270300000000, -0.0011889600000000, 0.0007695000000000 ] - [ -0.0001931600000000, -0.0029414300000000, -0.0012093700000000 ] - [ 0.0004334500000000, -0.0007672200000000, 0.0009620500000000 ] - [ -0.0004074400000000, -0.0008258900000000, 0.0003602500000000 ] - [ -0.0004401700000000, -0.0005722800000000, 0.0007771400000000 ] - [ -0.0028144500000000, -0.0019643000000000, -0.0037937200000000 ] - [ 0.0009164400000000, 0.0002456900000000, -0.0006026000000000 ] - [ -0.0027701200000000, 0.0007081900000000, -0.0017599100000000 ] - [ 0.0009335900000000, -0.0002198800000000, -0.0005783600000000 ] - [ -0.0000947800000000, 0.0001692200000000, -0.0009557800000000 ] - [ -0.0001706400000000, 0.0001417300000000, -0.0006416200000000 ] - [ 0.0003794900000000, -0.0001236400000000, 0.0006607400000000 ] - [ 0.0001995200000000, -0.0001548400000000, 0.0009764900000000 ] - [ -0.0004015600000000, 0.0000134500000000, 0.0009650000000000 ] - [ 0.0006278900000000, -0.0002241300000000, 0.0007614900000000 ] - [ 0.0001837400000000, -0.0001628800000000, 0.0009116100000000 ] - [ 0.0000621100000000, -0.0001608600000000, 0.0009685000000000 ] - [ 0.0043486700000000, 0.0010357500000000, -0.0011468500000000 ] - [ 0.0062337400000000, -0.0078278800000000, 0.0060293500000000 ] - [ 0.0011986600000000, 0.0004798600000000, 0.0028496300000000 ] - [ 0.0009975600000000, 0.0005436000000000, -0.0005819300000000 ] - [ 0.0005640900000000, 0.0006158300000000, -0.0002759800000000 ] - [ 0.0004447100000000, 0.0006932200000000, -0.0002518500000000 ] - [ 0.0005021000000000, 0.0002219000000000, 0.0008126900000000 ] - [ -0.0007934800000000, -0.0003827300000000, 0.0014230300000000 ] - [ 0.0016269800000000, 0.0027320700000000, 0.0012659300000000 ] - [ 0.0009555700000000, -0.0002216200000000, 0.0004285900000000 ] - [ -0.0002318800000000, 0.0002197400000000, 0.0008880400000000 ] - [ 0.0004817400000000, 0.0002592600000000, 0.0009639000000000 ] - [ 0.0006607800000000, -0.0006279400000000, -0.0003769000000000 ] - [ 0.0001169700000000, -0.0002762000000000, 0.0001864000000000 ] - [ 0.0007877600000000, -0.0018943700000000, -0.0003171700000000 ] - [ 0.0011971600000000, 0.0003674700000000, 0.0000079000000000 ] - [ 0.0002623200000000, -0.0008266800000000, -0.0005203000000000 ] - [ 0.0006338800000000, -0.0007190500000000, -0.0002939800000000 ] - [ -0.0012955900000000, -0.0011246200000000, -0.0001512800000000 ] - [ 0.0000982200000000, 0.0012407300000000, -0.0011118200000000 ] - [ -0.0003524700000000, 0.0005925300000000, -0.0006153200000000 ] - [ -0.0007052800000000, 0.0006316400000000, 0.0002465500000000 ] - [ -0.0005378400000000, 0.0005378100000000, -0.0002512100000000 ] - [ -0.0006346400000000, 0.0004485600000000, -0.0000434800000000 ] - [ -0.0009610100000000, -0.0000082300000000, 0.0004833800000000 ] - [ -0.0002439600000000, -0.0007958200000000, -0.0007002800000000 ] - [ -0.0003920200000000, -0.0010220400000000, -0.0008472900000000 ] - [ -0.0004631800000000, 0.0001669800000000, 0.0008549000000000 ] - [ -0.0004779800000000, -0.0005312400000000, -0.0002872500000000 ] - [ -0.0007067800000000, -0.0003235800000000, 0.0000797000000000 ] - [ 0.0014398200000000, -0.0004991900000000, -0.0012183900000000 ] - [ -0.0040795200000000, 0.0143701500000000, 0.0138253500000000 ] - [ 0.0004605900000000, -0.0000807700000000, 0.0004078900000000 ] - [ 0.0014927600000000, -0.0000143800000000, -0.0013889600000000 ] - [ 0.0004913000000000, 0.0008628100000000, 0.0006438800000000 ] - [ 0.0004974900000000, 0.0004623300000000, 0.0001347700000000 ] - [ 0.0010427000000000, -0.0004892100000000, -0.0002579300000000 ] - [ -0.0006359600000000, -0.0013842700000000, 0.0011451500000000 ] - [ 0.0058246400000000, -0.0021451100000000, 0.0008955100000000 ] - [ 0.0083921400000000, 0.0066062300000000, -0.0156955900000000 ] - [ -0.0000748500000000, -0.0012996100000000, 0.0015597700000000 ] - [ 0.0008424900000000, -0.0003064400000000, -0.0001908400000000 ]- atom: 79 displacement: [ -0.0099999774088725, 0.0000000000000000, 0.0000212561059198 ] forces: - [ -0.0052905400000000, 0.0014417800000000, -0.0015416400000000 ] - [ 0.0004466100000000, -0.0000623100000000, 0.0001439900000000 ] - [ -0.0002282000000000, -0.0004129100000000, -0.0002865000000000 ] - [ -0.0000482000000000, -0.0001105900000000, 0.0002569600000000 ] - [ -0.0002254300000000, -0.0003973800000000, -0.0000432500000000 ] - [ -0.0003065600000000, -0.0005160200000000, 0.0002240300000000 ] - [ -0.0032802900000000, -0.0030701200000000, -0.0005765900000000 ] - [ 0.0005064600000000, -0.0001528000000000, 0.0000061500000000 ] - [ -0.0001447400000000, 0.0000662200000000, -0.0001269700000000 ] - [ -0.0000363300000000, -0.0001591100000000, 0.0003569800000000 ] - [ 0.0000017000000000, 0.0000153700000000, -0.0000874500000000 ] - [ -0.0000924200000000, 0.0001034700000000, 0.0002170800000000 ] - [ -0.0005974900000000, 0.0001397700000000, 0.0000026300000000 ] - [ -0.0001387500000000, 0.0004915700000000, 0.0000188100000000 ] - [ -0.0005590400000000, 0.0006097600000000, -0.0000565800000000 ] - [ 0.0000737400000000, 0.0002528800000000, 0.0001299900000000 ] - [ -0.0002354000000000, 0.0004082100000000, 0.0000358600000000 ] - [ -0.0003405000000000, 0.0004190900000000, 0.0002113000000000 ] - [ 0.0004618200000000, 0.0000380500000000, -0.0038477300000000 ] - [ 0.0018229500000000, 0.0007113500000000, 0.0008368400000000 ] - [ -0.0048773900000000, -0.0005879800000000, 0.0017744500000000 ] - [ 0.0004232100000000, 0.0000912200000000, 0.0001961900000000 ] - [ -0.0000025500000000, 0.0000151200000000, -0.0000138200000000 ] - [ -0.0001904600000000, -0.0000039600000000, 0.0004540700000000 ] - [ 0.0001105600000000, 0.0003816100000000, -0.0005972300000000 ] - [ 0.0010102000000000, -0.0016300300000000, 0.0002748600000000 ] - [ -0.0005022400000000, 0.0002584800000000, 0.0001169600000000 ] - [ 0.0005601700000000, 0.0000960400000000, -0.0000850200000000 ] - [ 0.0001399000000000, -0.0000214500000000, -0.0000817500000000 ] - [ 0.0001369600000000, 0.0000470100000000, 0.0000174900000000 ] - [ 0.0004566100000000, -0.0005735500000000, -0.0003707800000000 ] - [ 0.0008108200000000, 0.0007399200000000, 0.0000329200000000 ] - [ -0.0002238500000000, -0.0004776300000000, 0.0000412200000000 ] - [ 0.0007302100000000, -0.0004146500000000, -0.0001876600000000 ] - [ 0.0003065100000000, -0.0003993100000000, 0.0000163700000000 ] - [ 0.0002070300000000, -0.0004143000000000, 0.0001952000000000 ] - [ 0.0001851000000000, -0.0000128600000000, -0.0001491500000000 ] - [ 0.0001190500000000, 0.0000414300000000, 0.0000686300000000 ] - [ -0.0003136400000000, 0.0002520500000000, -0.0002706300000000 ] - [ 0.0004031100000000, 0.0000393100000000, -0.0000534900000000 ] - [ 0.0000001700000000, 0.0000408000000000, -0.0000756600000000 ] - [ 0.0002235700000000, -0.0000220100000000, -0.0001165400000000 ] - [ 0.0005619200000000, 0.0004739700000000, -0.0005928000000000 ] - [ -0.0006350900000000, 0.0003392500000000, 0.0015849000000000 ] - [ -0.0004097400000000, -0.0001485200000000, -0.0006757100000000 ] - [ 0.0016735000000000, -0.0005007600000000, -0.0009244800000000 ] - [ -0.0001147400000000, 0.0004387200000000, 0.0002788900000000 ] - [ 0.0005220500000000, 0.0004754800000000, -0.0000684200000000 ] - [ -0.1163362500000000, -0.0236735400000000, -0.0243894500000000 ] - [ 0.0041252700000000, -0.0014787700000000, 0.0004837500000000 ] - [ 0.0005018800000000, -0.0003171700000000, -0.0001022800000000 ] - [ 0.0005786200000000, -0.0015885000000000, 0.0024552800000000 ] - [ -0.0007491400000000, 0.0000828700000000, 0.0013306800000000 ] - [ 0.0008926500000000, 0.0005068800000000, 0.0009679800000000 ] - [ -0.0083850300000000, 0.0001596900000000, 0.0075506600000000 ] - [ 0.0014759900000000, -0.0004531900000000, 0.0000951500000000 ] - [ 0.0000093100000000, 0.0075480100000000, -0.0041992100000000 ] - [ 0.0018623200000000, -0.0026417800000000, 0.0027948400000000 ] - [ 0.0001680100000000, -0.0000875300000000, 0.0008020800000000 ] - [ -0.0002786400000000, -0.0008457300000000, 0.0016830800000000 ] - [ 0.0006275400000000, 0.0008163000000000, -0.0014643000000000 ] - [ -0.0005525300000000, -0.0002463300000000, -0.0001616700000000 ] - [ -0.0005500000000000, 0.0003519000000000, -0.0001061500000000 ] - [ 0.0004707800000000, 0.0003097800000000, -0.0016221300000000 ] - [ -0.0000517400000000, 0.0002575100000000, -0.0006617700000000 ] - [ -0.0000254400000000, 0.0002367100000000, -0.0010397700000000 ] - [ 0.0003331100000000, -0.0008431600000000, -0.0007536200000000 ] - [ -0.0012733700000000, 0.0005490000000000, -0.0010891300000000 ] - [ 0.0021726400000000, 0.0003411800000000, -0.0006170700000000 ] - [ 0.0002546700000000, -0.0018080300000000, -0.0012998500000000 ] - [ -0.0003924400000000, 0.0001522200000000, -0.0004267000000000 ] - [ 0.0003457900000000, -0.0002859100000000, -0.0011697200000000 ] - [ 0.0000845000000000, 0.0005110500000000, 0.0005856900000000 ] - [ -0.0008938800000000, 0.0006344000000000, 0.0003579800000000 ] - [ -0.0004016200000000, 0.0006900000000000, 0.0005918000000000 ] - [ -0.0005341600000000, 0.0008041400000000, 0.0001753800000000 ] - [ -0.0003948200000000, 0.0008412700000000, 0.0005345500000000 ] - [ -0.0005287300000000, 0.0006903300000000, 0.0002755400000000 ] - [ 0.1456085100000000, 0.0316143300000000, 0.0269589100000000 ] - [ -0.0029416200000000, -0.0004401900000000, -0.0010514400000000 ] - [ -0.0000108500000000, -0.0000776200000000, -0.0004669700000000 ] - [ -0.0008602600000000, -0.0002490600000000, -0.0012451000000000 ] - [ -0.0000173300000000, -0.0001041500000000, -0.0004213400000000 ] - [ -0.0008624000000000, -0.0003704100000000, -0.0016612300000000 ] - [ 0.0006383500000000, -0.0021621000000000, 0.0017727100000000 ] - [ -0.0014535300000000, -0.0003119900000000, 0.0000477600000000 ] - [ -0.0006956800000000, 0.0014141100000000, 0.0020221800000000 ] - [ -0.0013534400000000, -0.0007345600000000, -0.0001566300000000 ] - [ -0.0005157000000000, -0.0006693600000000, 0.0004367000000000 ] - [ -0.0004821300000000, -0.0009311100000000, 0.0000282400000000 ] - [ 0.0024335900000000, 0.0023408200000000, 0.0020327100000000 ] - [ -0.0013014400000000, 0.0001091800000000, -0.0011766500000000 ] - [ 0.0024660300000000, -0.0003382500000000, -0.0000353400000000 ] - [ -0.0012862800000000, 0.0005723400000000, -0.0011956000000000 ] - [ -0.0002600000000000, 0.0001785100000000, -0.0008169300000000 ] - [ -0.0001835100000000, 0.0002101800000000, -0.0011318100000000 ] - [ -0.0000344500000000, -0.0002236100000000, 0.0011053300000000 ] - [ 0.0001468300000000, -0.0001933300000000, 0.0007949900000000 ] - [ 0.0007362600000000, -0.0003626500000000, 0.0008057700000000 ] - [ -0.0002781900000000, -0.0001305300000000, 0.0010144400000000 ] - [ 0.0001692800000000, -0.0001901000000000, 0.0008616100000000 ] - [ 0.0002895600000000, -0.0001888700000000, 0.0008011100000000 ] - [ -0.0033913300000000, 0.0004686500000000, 0.0003381600000000 ] - [ -0.0053354500000000, 0.0094201800000000, -0.0068888100000000 ] - [ -0.0002938900000000, 0.0010179900000000, -0.0036722000000000 ] - [ -0.0000740400000000, 0.0009588200000000, -0.0002130600000000 ] - [ 0.0003658900000000, 0.0008809400000000, -0.0005393300000000 ] - [ 0.0004856200000000, 0.0007900900000000, -0.0005561200000000 ] - [ -0.0001628600000000, 0.0001280200000000, 0.0009617600000000 ] - [ 0.0011428200000000, 0.0007389600000000, 0.0003522600000000 ] - [ -0.0012920700000000, -0.0023831200000000, 0.0005091800000000 ] - [ -0.0005945900000000, 0.0005767500000000, 0.0013509500000000 ] - [ 0.0005701600000000, 0.0001273900000000, 0.0008779100000000 ] - [ -0.0001345400000000, 0.0000904500000000, 0.0008076100000000 ] - [ 0.0002766900000000, -0.0008490800000000, -0.0004095300000000 ] - [ 0.0008137000000000, -0.0012150300000000, -0.0009762800000000 ] - [ 0.0001415500000000, 0.0003927100000000, -0.0004925600000000 ] - [ -0.0002702700000000, -0.0018669800000000, -0.0008235000000000 ] - [ 0.0006631000000000, -0.0006674900000000, -0.0002782300000000 ] - [ 0.0002973700000000, -0.0007756600000000, -0.0005012300000000 ] - [ 0.0001718100000000, 0.0021048200000000, -0.0002166600000000 ] - [ -0.0012278300000000, -0.0002575000000000, 0.0007418900000000 ] - [ -0.0007873800000000, 0.0004438200000000, 0.0002444200000000 ] - [ -0.0004139800000000, 0.0003507700000000, -0.0006267800000000 ] - [ -0.0005525800000000, 0.0004301900000000, -0.0001818200000000 ] - [ -0.0004766500000000, 0.0005643600000000, -0.0003760300000000 ] - [ -0.0001635800000000, -0.0009773400000000, -0.0008512200000000 ] - [ -0.0008766800000000, -0.0001935800000000, 0.0003219800000000 ] - [ -0.0007333800000000, 0.0000197500000000, 0.0004550300000000 ] - [ -0.0006570500000000, -0.0011891400000000, -0.0012602300000000 ] - [ -0.0006425900000000, -0.0004858700000000, -0.0001144800000000 ] - [ -0.0004182800000000, -0.0006690500000000, -0.0004631700000000 ] - [ -0.0002894300000000, 0.0015037700000000, 0.0015735300000000 ] - [ 0.0053605300000000, -0.0134928200000000, -0.0135447500000000 ] - [ 0.0006443500000000, 0.0010759300000000, 0.0000212800000000 ] - [ -0.0003647900000000, 0.0010008000000000, 0.0017797800000000 ] - [ 0.0006342800000000, 0.0001308300000000, -0.0002658200000000 ] - [ 0.0006326600000000, 0.0005684600000000, 0.0002506200000000 ] - [ 0.0000657500000000, -0.0005360300000000, 0.0006915200000000 ] - [ 0.0017838800000000, 0.0003930300000000, -0.0007580800000000 ] - [ -0.0046121600000000, 0.0011107100000000, -0.0005167100000000 ] - [ -0.0073632400000000, -0.0076640400000000, 0.0162595900000000 ] - [ 0.0012075000000000, 0.0003044400000000, -0.0011841600000000 ] - [ 0.0002637700000000, -0.0006847500000000, 0.0006053500000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009344800000000, 0.0006851200000000, -0.0001654300000000 ] - [ -0.0003644600000000, -0.0003423300000000, 0.0002086600000000 ] - [ -0.0001537900000000, -0.0002246700000000, -0.0004096600000000 ] - [ -0.0003194100000000, -0.0004841900000000, -0.0001809700000000 ] - [ -0.0003856500000000, -0.0003077000000000, 0.0002277700000000 ] - [ -0.0002415100000000, -0.0003465900000000, 0.0000747600000000 ] - [ 0.0009368900000000, 0.0013328100000000, 0.0001392100000000 ] - [ -0.0003131100000000, 0.0000932500000000, 0.0000552600000000 ] - [ -0.0002200600000000, 0.0000335200000000, 0.0006436100000000 ] - [ -0.0001604700000000, 0.0000429500000000, 0.0001377000000000 ] - [ -0.0000032500000000, 0.0000341800000000, -0.0002023200000000 ] - [ -0.0002738100000000, 0.0000648000000000, -0.0000753000000000 ] - [ -0.0002640200000000, 0.0000092400000000, -0.0000166700000000 ] - [ -0.0002904900000000, 0.0003226600000000, 0.0000026900000000 ] - [ -0.0003023900000000, -0.0001113600000000, 0.0000670600000000 ] - [ -0.0002221700000000, 0.0001506000000000, 0.0001357500000000 ] - [ -0.0002934000000000, 0.0003991500000000, 0.0001051800000000 ] - [ -0.0002704100000000, 0.0003647600000000, 0.0000632800000000 ] - [ -0.0003747900000000, 0.0010304100000000, 0.0008295100000000 ] - [ -0.0002248500000000, 0.0001075000000000, 0.0001364500000000 ] - [ 0.0003676700000000, 0.0015776800000000, -0.0001460300000000 ] - [ -0.0002400700000000, 0.0002303900000000, 0.0000539900000000 ] - [ -0.0001103700000000, 0.0000269300000000, 0.0001219300000000 ] - [ -0.0001219500000000, 0.0000308200000000, 0.0000321100000000 ] - [ -0.0000937400000000, -0.0001353700000000, 0.0001710900000000 ] - [ -0.0000474300000000, 0.0003124000000000, -0.0000433000000000 ] - [ 0.0000126500000000, -0.0002091900000000, -0.0004290200000000 ] - [ 0.0000032400000000, -0.0000735900000000, -0.0002238700000000 ] - [ 0.0001367800000000, 0.0000102900000000, -0.0001277700000000 ] - [ 0.0000990900000000, 0.0000211100000000, -0.0000940800000000 ] - [ 0.0005738100000000, -0.0005906400000000, -0.0000844000000000 ] - [ 0.0000152000000000, -0.0010427300000000, -0.0001670500000000 ] - [ 0.0006052200000000, -0.0006292200000000, 0.0001630200000000 ] - [ 0.0001825100000000, -0.0005561900000000, 0.0000655900000000 ] - [ 0.0002892300000000, -0.0004236500000000, -0.0000080900000000 ] - [ 0.0003365600000000, -0.0004455500000000, -0.0001800800000000 ] - [ 0.0001248800000000, -0.0000814900000000, -0.0000164600000000 ] - [ 0.0000826700000000, -0.0002585700000000, -0.0000727600000000 ] - [ 0.0002777400000000, -0.0005864200000000, -0.0000530100000000 ] - [ 0.0000781400000000, -0.0003404700000000, -0.0001101300000000 ] - [ 0.0001501400000000, -0.0000862200000000, -0.0001413100000000 ] - [ 0.0000877100000000, -0.0000341200000000, -0.0001482300000000 ] - [ 0.0002876500000000, 0.0004806600000000, 0.0000696300000000 ] - [ 0.0004711900000000, 0.0006753900000000, -0.0002397600000000 ] - [ 0.0016745400000000, 0.0018950800000000, 0.0009106600000000 ] - [ 0.0002840500000000, 0.0009644600000000, 0.0001548400000000 ] - [ 0.0004256500000000, 0.0004480300000000, -0.0002239300000000 ] - [ 0.0002466400000000, 0.0004303900000000, -0.0001495000000000 ] - [ 0.0236348000000000, 0.0222853200000000, 0.0068522400000000 ] - [ -0.0000513200000000, 0.0013107400000000, 0.0004692700000000 ] - [ -0.0002129000000000, 0.0011261500000000, 0.0013315000000000 ] - [ -0.0002369200000000, 0.0016163000000000, 0.0007540200000000 ] - [ 0.0003316800000000, 0.0007130000000000, 0.0002822800000000 ] - [ -0.0000467800000000, 0.0003741600000000, 0.0008622700000000 ] - [ 0.0013064700000000, -0.0003475100000000, -0.0020969400000000 ] - [ -0.0002167400000000, -0.0000004000000000, 0.0010538200000000 ] - [ -0.0019592200000000, -0.0004910600000000, 0.0015214800000000 ] - [ 0.0007052100000000, 0.0006555800000000, 0.0016371500000000 ] - [ -0.0000038900000000, -0.0002302000000000, 0.0008525500000000 ] - [ 0.0000686000000000, 0.0001653800000000, 0.0008436300000000 ] - [ -0.0001194900000000, -0.0004239700000000, -0.0006507000000000 ] - [ -0.0000482900000000, -0.0011521700000000, -0.0008986700000000 ] - [ 0.0003254000000000, -0.0002190200000000, -0.0016291100000000 ] - [ 0.0003437300000000, -0.0005208800000000, -0.0016330600000000 ] - [ 0.0000344100000000, -0.0000021500000000, -0.0010574800000000 ] - [ -0.0000926900000000, -0.0002128800000000, -0.0008718300000000 ] - [ -0.0000281200000000, -0.0003413000000000, -0.0008691600000000 ] - [ 0.0006733400000000, -0.0013071200000000, -0.0004614700000000 ] - [ -0.0022257200000000, -0.0005723700000000, -0.0013706000000000 ] - [ 0.0006972800000000, -0.0021852400000000, 0.0006919200000000 ] - [ -0.0000257800000000, -0.0004876900000000, -0.0010872500000000 ] - [ -0.0000311300000000, -0.0003282500000000, -0.0010801500000000 ] - [ -0.0002006600000000, 0.0018239700000000, 0.0007206200000000 ] - [ -0.0003484800000000, 0.0010261800000000, 0.0005186100000000 ] - [ -0.0002290800000000, 0.0012882200000000, 0.0004367000000000 ] - [ -0.0003908300000000, 0.0009659400000000, 0.0004829600000000 ] - [ -0.0004349900000000, 0.0010287000000000, 0.0005884800000000 ] - [ -0.0003805500000000, 0.0009005200000000, 0.0004807000000000 ] - [ -0.0314109200000000, -0.0357710700000000, -0.0098810400000000 ] - [ 0.0000887600000000, -0.0003581200000000, -0.0008030200000000 ] - [ -0.0002532700000000, -0.0003976700000000, -0.0009592900000000 ] - [ 0.0000178500000000, -0.0002731500000000, -0.0007938900000000 ] - [ -0.0002811100000000, -0.0003977400000000, -0.0009301600000000 ] - [ -0.0001006100000000, -0.0002759400000000, -0.0008481700000000 ] - [ -0.0008664200000000, 0.0006362400000000, -0.0015579200000000 ] - [ -0.0004198900000000, -0.0007538600000000, 0.0003255100000000 ] - [ -0.0028410000000000, 0.0020453000000000, 0.0016971400000000 ] - [ 0.0000844300000000, -0.0012586700000000, 0.0009340700000000 ] - [ -0.0004335700000000, -0.0008396000000000, 0.0004376800000000 ] - [ -0.0004248100000000, -0.0007445300000000, 0.0005105700000000 ] - [ -0.0007086400000000, 0.0013797300000000, 0.0005687700000000 ] - [ 0.0002040500000000, 0.0001135900000000, -0.0007858200000000 ] - [ 0.0019648600000000, 0.0013804400000000, -0.0034559200000000 ] - [ -0.0002428400000000, 0.0001107600000000, -0.0009668900000000 ] - [ -0.0001750700000000, 0.0001756400000000, -0.0009060100000000 ] - [ -0.0001436100000000, 0.0001255800000000, -0.0007826600000000 ] - [ 0.0001257200000000, 0.0001147400000000, 0.0007305200000000 ] - [ 0.0001529800000000, 0.0000551500000000, 0.0008370100000000 ] - [ -0.0000200100000000, 0.0001774200000000, 0.0009159700000000 ] - [ 0.0002221000000000, 0.0000071100000000, 0.0008736300000000 ] - [ 0.0001654700000000, -0.0001114600000000, 0.0008922600000000 ] - [ 0.0001634300000000, -0.0000958900000000, 0.0009201700000000 ] - [ 0.0014333200000000, 0.0002737600000000, -0.0005463100000000 ] - [ -0.0026576100000000, -0.0047494500000000, 0.0003318200000000 ] - [ 0.0010074600000000, 0.0001455000000000, 0.0010940700000000 ] - [ 0.0006401300000000, 0.0003557400000000, -0.0002080300000000 ] - [ 0.0004753600000000, 0.0006610500000000, -0.0003665000000000 ] - [ 0.0005491600000000, 0.0005013000000000, -0.0002977400000000 ] - [ 0.0002202400000000, 0.0001963100000000, 0.0008327600000000 ] - [ -0.0003902300000000, -0.0000231700000000, 0.0008354800000000 ] - [ 0.0027488400000000, 0.0032842500000000, 0.0015430400000000 ] - [ -0.0002213800000000, 0.0000542800000000, 0.0006218300000000 ] - [ 0.0002186400000000, 0.0002253500000000, 0.0010273000000000 ] - [ 0.0002589100000000, 0.0002095800000000, 0.0009573000000000 ] - [ 0.0003979900000000, -0.0006478300000000, -0.0003686200000000 ] - [ 0.0008331100000000, -0.0001486600000000, 0.0001316200000000 ] - [ -0.0003752500000000, -0.0002874200000000, -0.0009823300000000 ] - [ 0.0008890300000000, -0.0000066200000000, -0.0000879100000000 ] - [ 0.0003201500000000, -0.0007681800000000, -0.0006249200000000 ] - [ 0.0005218100000000, -0.0006900000000000, -0.0003905500000000 ] - [ -0.0005861200000000, 0.0018691400000000, -0.0013861100000000 ] - [ -0.0002002600000000, 0.0010894100000000, -0.0011312400000000 ] - [ -0.0008285900000000, 0.0007593400000000, 0.0001184400000000 ] - [ -0.0006115200000000, 0.0006023700000000, -0.0000540300000000 ] - [ -0.0003748600000000, 0.0008956000000000, -0.0007829100000000 ] - [ -0.0005524000000000, 0.0006174900000000, -0.0003192200000000 ] - [ -0.0007198300000000, 0.0001740500000000, 0.0003219600000000 ] - [ -0.0005271600000000, -0.0004074400000000, -0.0002123000000000 ] - [ -0.0009519700000000, 0.0007308900000000, 0.0004456800000000 ] - [ -0.0005286000000000, 0.0006213000000000, 0.0007803000000000 ] - [ -0.0005527600000000, -0.0003688000000000, -0.0001227200000000 ] - [ -0.0006238000000000, -0.0002913400000000, -0.0000048100000000 ] - [ 0.0005331600000000, 0.0001143600000000, -0.0001322000000000 ] - [ 0.0069979500000000, 0.0039975500000000, 0.0055073300000000 ] - [ 0.0005609500000000, -0.0001582000000000, -0.0005192400000000 ] - [ 0.0012889300000000, -0.0002957000000000, -0.0011073200000000 ] - [ 0.0005535200000000, 0.0004518100000000, 0.0001937200000000 ] - [ 0.0004911500000000, 0.0004744000000000, 0.0003703300000000 ] - [ 0.0005600800000000, -0.0007397100000000, 0.0002608900000000 ] - [ 0.0000905800000000, -0.0015227800000000, 0.0013030600000000 ] - [ -0.0001236900000000, -0.0014576100000000, 0.0004355900000000 ] - [ 0.0010250300000000, -0.0002790600000000, -0.0028106500000000 ] - [ 0.0003582800000000, -0.0008748400000000, 0.0006556200000000 ] - [ 0.0006232600000000, -0.0005543000000000, 0.0001805400000000 ]- atom: 79 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002545300000000, -0.0012613700000000, 0.0002881100000000 ] - [ -0.0002371800000000, -0.0004629600000000, -0.0000060500000000 ] - [ -0.0004162900000000, -0.0006037600000000, 0.0003982700000000 ] - [ -0.0002465100000000, -0.0003501100000000, 0.0001678100000000 ] - [ -0.0002073400000000, -0.0005143100000000, -0.0000985300000000 ] - [ -0.0003494100000000, -0.0004775000000000, 0.0000541800000000 ] - [ -0.0011463200000000, -0.0016237500000000, 0.0000906600000000 ] - [ 0.0000879500000000, -0.0000891100000000, 0.0001775100000000 ] - [ -0.0000413100000000, -0.0000091400000000, -0.0004144300000000 ] - [ -0.0000998200000000, -0.0000222500000000, 0.0000928700000000 ] - [ -0.0002535800000000, -0.0000299100000000, 0.0003053300000000 ] - [ 0.0000194900000000, -0.0000570600000000, 0.0001783900000000 ] - [ -0.0003033100000000, 0.0008200400000000, 0.0000022300000000 ] - [ -0.0002725100000000, 0.0005119300000000, -0.0000132700000000 ] - [ -0.0002920300000000, 0.0009297500000000, 0.0000612900000000 ] - [ -0.0003692200000000, 0.0006812100000000, -0.0000072500000000 ] - [ -0.0002947700000000, 0.0004301500000000, 0.0000972800000000 ] - [ -0.0003173400000000, 0.0004560900000000, 0.0001371000000000 ] - [ 0.0001074300000000, -0.0010483200000000, -0.0005854600000000 ] - [ -0.0000422100000000, -0.0001308400000000, 0.0000891400000000 ] - [ -0.0006018500000000, -0.0015734500000000, 0.0002471000000000 ] - [ -0.0000141200000000, -0.0002333400000000, 0.0000538700000000 ] - [ -0.0001102200000000, -0.0000302000000000, 0.0001111100000000 ] - [ -0.0000992300000000, -0.0000364800000000, 0.0002005400000000 ] - [ 0.0003139800000000, 0.0001397800000000, -0.0004055600000000 ] - [ 0.0002675800000000, -0.0003038400000000, -0.0001925100000000 ] - [ 0.0002403500000000, 0.0002163300000000, 0.0003217100000000 ] - [ 0.0002465700000000, 0.0000760400000000, 0.0001159800000000 ] - [ 0.0001232400000000, 0.0000113700000000, -0.0001028000000000 ] - [ 0.0001601100000000, 0.0000043600000000, -0.0001359700000000 ] - [ 0.0000097600000000, -0.0002430400000000, -0.0001163100000000 ] - [ 0.0005767000000000, 0.0002101400000000, -0.0000346900000000 ] - [ -0.0000087300000000, -0.0001998600000000, -0.0002924200000000 ] - [ 0.0004121800000000, -0.0002677300000000, -0.0001958900000000 ] - [ 0.0002846800000000, -0.0003969500000000, 0.0000191000000000 ] - [ 0.0002356300000000, -0.0003804700000000, 0.0001915100000000 ] - [ 0.0001223300000000, 0.0000727600000000, -0.0000916200000000 ] - [ 0.0001689300000000, 0.0002500900000000, -0.0000337100000000 ] - [ -0.0000181400000000, 0.0005645000000000, -0.0001761100000000 ] - [ 0.0001812300000000, 0.0003171300000000, -0.0001218500000000 ] - [ 0.0000730800000000, 0.0000807800000000, -0.0000937800000000 ] - [ 0.0001275300000000, 0.0000303400000000, -0.0000878300000000 ] - [ 0.0002975100000000, 0.0003620800000000, -0.0001988000000000 ] - [ 0.0001217500000000, 0.0001585000000000, 0.0001052600000000 ] - [ -0.0010600100000000, -0.0010834800000000, -0.0008746700000000 ] - [ 0.0002772400000000, -0.0001257400000000, -0.0001364600000000 ] - [ 0.0001663400000000, 0.0003710000000000, 0.0000206600000000 ] - [ 0.0003386800000000, 0.0003992400000000, -0.0000555200000000 ] - [ -0.0234827900000000, -0.0215942900000000, -0.0049737300000000 ] - [ 0.0000439900000000, -0.0007928600000000, 0.0014026300000000 ] - [ 0.0002076600000000, -0.0006404800000000, 0.0005426900000000 ] - [ 0.0002299600000000, -0.0011068400000000, 0.0011316200000000 ] - [ -0.0003501800000000, -0.0001901200000000, 0.0016016100000000 ] - [ 0.0000335900000000, 0.0001376000000000, 0.0010103600000000 ] - [ -0.0013154500000000, -0.0001544500000000, 0.0039662200000000 ] - [ 0.0002177100000000, -0.0005137900000000, 0.0008268700000000 ] - [ 0.0019284100000000, -0.0000653700000000, 0.0003962400000000 ] - [ -0.0007236600000000, -0.0011666800000000, 0.0002365500000000 ] - [ 0.0000100700000000, -0.0002825700000000, 0.0010064400000000 ] - [ -0.0000684600000000, -0.0006653000000000, 0.0010130700000000 ] - [ 0.0001162000000000, 0.0009320100000000, -0.0011983600000000 ] - [ 0.0000560000000000, 0.0016499000000000, -0.0009639100000000 ] - [ -0.0002978000000000, 0.0007425000000000, -0.0002740700000000 ] - [ -0.0003267900000000, 0.0010262000000000, -0.0002569900000000 ] - [ -0.0000275900000000, 0.0004941500000000, -0.0008220200000000 ] - [ 0.0001025000000000, 0.0007055300000000, -0.0010101000000000 ] - [ 0.0000488800000000, -0.0001719800000000, -0.0010266300000000 ] - [ -0.0006500700000000, 0.0008001100000000, -0.0014230500000000 ] - [ 0.0022112500000000, 0.0000878300000000, -0.0005138700000000 ] - [ -0.0006866300000000, 0.0016915100000000, -0.0025723300000000 ] - [ 0.0000205700000000, -0.0000184400000000, -0.0007640700000000 ] - [ 0.0000332500000000, -0.0001725200000000, -0.0007844900000000 ] - [ -0.0007279900000000, -0.0003222000000000, 0.0000809500000000 ] - [ -0.0005755600000000, 0.0004725500000000, 0.0002850600000000 ] - [ -0.0006982000000000, 0.0002122000000000, 0.0003797700000000 ] - [ -0.0005303600000000, 0.0005367100000000, 0.0003390100000000 ] - [ -0.0004819200000000, 0.0004737500000000, 0.0002171000000000 ] - [ -0.0005446300000000, 0.0005966600000000, 0.0003201500000000 ] - [ 0.0310040000000000, 0.0352461500000000, 0.0081916100000000 ] - [ -0.0004381800000000, 0.0000085800000000, -0.0009691500000000 ] - [ -0.0001073100000000, 0.0000436200000000, -0.0008166900000000 ] - [ -0.0003669600000000, -0.0000733500000000, -0.0009769800000000 ] - [ -0.0000822900000000, 0.0000444600000000, -0.0008470000000000 ] - [ -0.0002493200000000, -0.0000768800000000, -0.0009249800000000 ] - [ -0.0000613200000000, -0.0021339400000000, 0.0023629300000000 ] - [ -0.0005036300000000, -0.0007523900000000, 0.0004953400000000 ] - [ 0.0019079600000000, -0.0035417900000000, -0.0008830400000000 ] - [ -0.0010010400000000, -0.0002534100000000, -0.0001258800000000 ] - [ -0.0004894100000000, -0.0006588900000000, 0.0003609600000000 ] - [ -0.0004978200000000, -0.0007588500000000, 0.0002961400000000 ] - [ 0.0003325600000000, -0.0010290100000000, -0.0023591900000000 ] - [ -0.0005844400000000, 0.0002446300000000, -0.0009903600000000 ] - [ -0.0023281600000000, -0.0010288100000000, 0.0016895400000000 ] - [ -0.0001057000000000, 0.0002430300000000, -0.0008094000000000 ] - [ -0.0001818200000000, 0.0001727600000000, -0.0008665500000000 ] - [ -0.0002108600000000, 0.0002261300000000, -0.0009889900000000 ] - [ 0.0002237500000000, -0.0004610500000000, 0.0010345100000000 ] - [ 0.0001900400000000, -0.0004002500000000, 0.0009331000000000 ] - [ 0.0003537300000000, -0.0005252000000000, 0.0008559800000000 ] - [ 0.0001265700000000, -0.0003582400000000, 0.0009010000000000 ] - [ 0.0001889100000000, -0.0002399300000000, 0.0008819200000000 ] - [ 0.0001896400000000, -0.0002531100000000, 0.0008506600000000 ] - [ -0.0005047900000000, 0.0012121800000000, -0.0002483900000000 ] - [ 0.0035962200000000, 0.0062247200000000, -0.0011271500000000 ] - [ -0.0000869100000000, 0.0013512700000000, -0.0018957900000000 ] - [ 0.0002865500000000, 0.0011407300000000, -0.0005881400000000 ] - [ 0.0004560500000000, 0.0008330700000000, -0.0004469100000000 ] - [ 0.0003822300000000, 0.0009807000000000, -0.0005086800000000 ] - [ 0.0001237500000000, 0.0001537900000000, 0.0009426200000000 ] - [ 0.0007298800000000, 0.0003727000000000, 0.0009421700000000 ] - [ -0.0023720600000000, -0.0028866600000000, 0.0002408000000000 ] - [ 0.0005751600000000, 0.0002931800000000, 0.0011502000000000 ] - [ 0.0001222400000000, 0.0001220300000000, 0.0007410400000000 ] - [ 0.0000878500000000, 0.0001396700000000, 0.0008143200000000 ] - [ 0.0005419500000000, -0.0008247900000000, -0.0004156200000000 ] - [ 0.0000993300000000, -0.0013339800000000, -0.0009158000000000 ] - [ 0.0013104000000000, -0.0012122500000000, 0.0001751200000000 ] - [ 0.0000428900000000, -0.0014804600000000, -0.0007254800000000 ] - [ 0.0006060700000000, -0.0007248900000000, -0.0001720000000000 ] - [ 0.0004123100000000, -0.0008018900000000, -0.0004030000000000 ] - [ -0.0005466000000000, -0.0008890600000000, 0.0010072600000000 ] - [ -0.0009263500000000, -0.0000950900000000, 0.0007485200000000 ] - [ -0.0003137800000000, 0.0002726100000000, -0.0004854400000000 ] - [ -0.0005119700000000, 0.0003771500000000, -0.0003172800000000 ] - [ -0.0007182700000000, 0.0000844000000000, 0.0003466600000000 ] - [ -0.0005606900000000, 0.0003955300000000, -0.0000997500000000 ] - [ -0.0004014600000000, -0.0011568100000000, -0.0006970600000000 ] - [ -0.0005967200000000, -0.0005861200000000, -0.0001649300000000 ] - [ -0.0001759600000000, -0.0017286800000000, -0.0008409100000000 ] - [ -0.0005847200000000, -0.0016362400000000, -0.0011878200000000 ] - [ -0.0005715900000000, -0.0006422700000000, -0.0002707200000000 ] - [ -0.0005055300000000, -0.0007017400000000, -0.0003737100000000 ] - [ 0.0006162000000000, 0.0008976700000000, 0.0004915100000000 ] - [ -0.0059784300000000, -0.0029986600000000, -0.0051478300000000 ] - [ 0.0005470300000000, 0.0011480500000000, 0.0009403500000000 ] - [ -0.0001524200000000, 0.0012907600000000, 0.0014833600000000 ] - [ 0.0005730300000000, 0.0005487400000000, 0.0001893300000000 ] - [ 0.0006413200000000, 0.0005478400000000, 0.0000080100000000 ] - [ 0.0005479200000000, -0.0002835700000000, 0.0001769600000000 ] - [ 0.0010482800000000, 0.0005085600000000, -0.0009173200000000 ] - [ 0.0012864600000000, 0.0004353100000000, -0.0000937000000000 ] - [ 0.0001195200000000, -0.0007031900000000, 0.0031658400000000 ] - [ 0.0007730600000000, -0.0001225500000000, -0.0002748200000000 ] - [ 0.0004883300000000, -0.0004459400000000, 0.0002304100000000 ]- atom: 79 displacement: [ -0.0040808756811180, 0.0000000000000000, 0.0091294278941925 ] forces: - [ -0.0016156700000000, 0.0001587200000000, 0.0010962900000000 ] - [ 0.0000760500000000, -0.0000845300000000, 0.0003648400000000 ] - [ -0.0001810200000000, -0.0003925500000000, -0.0003866000000000 ] - [ -0.0004865000000000, -0.0006077300000000, 0.0000178800000000 ] - [ -0.0001533300000000, -0.0003770000000000, -0.0002177300000000 ] - [ -0.0003791300000000, -0.0004776500000000, -0.0000776600000000 ] - [ -0.0010993500000000, -0.0004526600000000, 0.0013628100000000 ] - [ 0.0001670000000000, -0.0001542400000000, 0.0003158800000000 ] - [ -0.0000809500000000, 0.0000466800000000, -0.0003558800000000 ] - [ -0.0001728000000000, 0.0000997000000000, 0.0000910500000000 ] - [ 0.0000710100000000, -0.0000287200000000, -0.0003151000000000 ] - [ -0.0002906100000000, 0.0000883800000000, -0.0000869900000000 ] - [ -0.0004068300000000, -0.0000665300000000, 0.0000489000000000 ] - [ -0.0002226100000000, 0.0003766400000000, 0.0000387700000000 ] - [ -0.0004267600000000, 0.0006874600000000, 0.0002348100000000 ] - [ -0.0002013700000000, 0.0003922300000000, 0.0001477500000000 ] - [ -0.0002301900000000, 0.0004264800000000, -0.0001005700000000 ] - [ -0.0003728500000000, 0.0004672300000000, 0.0000072900000000 ] - [ 0.0010101700000000, 0.0002551000000000, -0.0009006400000000 ] - [ 0.0002114900000000, 0.0000688000000000, 0.0001347700000000 ] - [ -0.0026416500000000, -0.0004935900000000, 0.0014885900000000 ] - [ -0.0000158800000000, 0.0000319300000000, 0.0002953400000000 ] - [ 0.0000049600000000, -0.0000076400000000, -0.0002608100000000 ] - [ -0.0002336100000000, -0.0000461200000000, -0.0000684800000000 ] - [ 0.0002791400000000, 0.0003113400000000, -0.0000357600000000 ] - [ 0.0002867300000000, -0.0002558900000000, 0.0002562300000000 ] - [ -0.0001871500000000, -0.0002091200000000, -0.0000638400000000 ] - [ 0.0003141900000000, 0.0000080600000000, -0.0001297900000000 ] - [ 0.0001460000000000, -0.0000053100000000, -0.0002534000000000 ] - [ 0.0000589500000000, 0.0000069600000000, -0.0003184900000000 ] - [ 0.0005700000000000, -0.0006176300000000, 0.0001345300000000 ] - [ 0.0002087400000000, -0.0004886200000000, 0.0002485800000000 ] - [ -0.0000271600000000, -0.0002420000000000, -0.0001632100000000 ] - [ 0.0005028700000000, -0.0003637300000000, -0.0001904600000000 ] - [ 0.0003152700000000, -0.0003830500000000, -0.0001245400000000 ] - [ 0.0002601900000000, -0.0003999900000000, -0.0002081700000000 ] - [ 0.0001836300000000, -0.0000208900000000, -0.0000929300000000 ] - [ -0.0000086100000000, -0.0000360600000000, -0.0000183100000000 ] - [ 0.0000427900000000, 0.0000564200000000, -0.0000187200000000 ] - [ 0.0003037400000000, -0.0000020100000000, 0.0000551200000000 ] - [ 0.0000478000000000, 0.0000187500000000, -0.0002234300000000 ] - [ 0.0001430200000000, -0.0000013600000000, -0.0002772300000000 ] - [ 0.0004770400000000, 0.0004618300000000, -0.0003060700000000 ] - [ -0.0002801000000000, 0.0004593500000000, -0.0000222400000000 ] - [ 0.0009204000000000, 0.0008154100000000, 0.0010136400000000 ] - [ 0.0009393200000000, 0.0002983900000000, 0.0001601000000000 ] - [ 0.0003222800000000, 0.0003427800000000, -0.0003509200000000 ] - [ 0.0003211300000000, 0.0003585600000000, -0.0003504900000000 ] - [ -0.0262974200000000, -0.0037721200000000, 0.0104927700000000 ] - [ 0.0012932200000000, -0.0008737300000000, 0.0022271400000000 ] - [ 0.0005969000000000, -0.0001492800000000, 0.0002404300000000 ] - [ -0.0006846400000000, 0.0016092200000000, 0.0005347500000000 ] - [ 0.0004136900000000, 0.0002100800000000, -0.0006389600000000 ] - [ 0.0001449800000000, 0.0002376500000000, 0.0005721600000000 ] - [ -0.0040221700000000, -0.0031753900000000, 0.0003646900000000 ] - [ 0.0005088700000000, -0.0003075900000000, 0.0007115100000000 ] - [ 0.0011611200000000, 0.0009421800000000, 0.0000872000000000 ] - [ -0.0003696600000000, -0.0006017800000000, 0.0019608300000000 ] - [ 0.0002406600000000, -0.0001076500000000, 0.0001082300000000 ] - [ -0.0001422400000000, -0.0001217200000000, 0.0004684800000000 ] - [ 0.0003880000000000, 0.0003887800000000, -0.0007288700000000 ] - [ -0.0004765000000000, -0.0003194000000000, 0.0001971100000000 ] - [ -0.0003216100000000, 0.0002208600000000, -0.0006635900000000 ] - [ 0.0005542100000000, 0.0002379700000000, -0.0014028900000000 ] - [ -0.0000268600000000, 0.0002732600000000, -0.0013026900000000 ] - [ 0.0000696700000000, 0.0004489400000000, -0.0015885300000000 ] - [ 0.0001597200000000, -0.0002535700000000, -0.0010107500000000 ] - [ -0.0009970100000000, 0.0008116900000000, -0.0014962100000000 ] - [ 0.0004903300000000, -0.0000641400000000, -0.0004954500000000 ] - [ 0.0005379300000000, -0.0018695800000000, 0.0010600300000000 ] - [ -0.0002210800000000, -0.0005325800000000, -0.0011757800000000 ] - [ 0.0002290000000000, -0.0003463500000000, -0.0015571800000000 ] - [ -0.0002983600000000, 0.0007163400000000, 0.0001308200000000 ] - [ -0.0006994800000000, 0.0006290400000000, 0.0001485400000000 ] - [ -0.0005804800000000, 0.0005373100000000, 0.0006517700000000 ] - [ -0.0004126200000000, 0.0007838900000000, 0.0004613500000000 ] - [ -0.0004659100000000, 0.0009292300000000, 0.0006740200000000 ] - [ -0.0003329500000000, 0.0008072300000000, 0.0005470300000000 ] - [ 0.0333039300000000, 0.0042901800000000, -0.0175862000000000 ] - [ -0.0011520600000000, -0.0002066400000000, -0.0012820500000000 ] - [ -0.0005414800000000, -0.0001749200000000, -0.0003112300000000 ] - [ 0.0002491300000000, -0.0001694800000000, -0.0007578100000000 ] - [ -0.0004972800000000, -0.0002120700000000, -0.0002959400000000 ] - [ -0.0001281900000000, -0.0001718700000000, -0.0009268000000000 ] - [ 0.0001601800000000, -0.0031968800000000, 0.0024829500000000 ] - [ -0.0006586900000000, -0.0007766800000000, 0.0003609300000000 ] - [ -0.0024540000000000, 0.0028489800000000, 0.0011120100000000 ] - [ -0.0006332200000000, -0.0006633700000000, 0.0000887000000000 ] - [ -0.0004800400000000, -0.0007900200000000, 0.0006711500000000 ] - [ -0.0003265700000000, -0.0007156100000000, 0.0007292500000000 ] - [ 0.0000961600000000, 0.0033856900000000, 0.0012823500000000 ] - [ -0.0003624600000000, 0.0002233800000000, -0.0010078400000000 ] - [ -0.0017669400000000, -0.0013726700000000, 0.0004582300000000 ] - [ -0.0003682100000000, 0.0002448800000000, -0.0010169000000000 ] - [ -0.0002759400000000, 0.0001933600000000, -0.0006338500000000 ] - [ 0.0000419400000000, 0.0000959500000000, -0.0006763000000000 ] - [ -0.0001115500000000, -0.0000552100000000, 0.0007513700000000 ] - [ 0.0002459100000000, -0.0001368600000000, 0.0006117100000000 ] - [ 0.0004742200000000, -0.0002779200000000, 0.0008637200000000 ] - [ -0.0001264100000000, -0.0001444200000000, 0.0009374800000000 ] - [ 0.0001994200000000, -0.0001864300000000, 0.0010421400000000 ] - [ 0.0003006000000000, -0.0002110900000000, 0.0010687000000000 ] - [ -0.0023006000000000, 0.0005241300000000, -0.0004416700000000 ] - [ 0.0010883100000000, 0.0037747900000000, -0.0021601700000000 ] - [ 0.0019981200000000, 0.0010009600000000, 0.0020165700000000 ] - [ 0.0002371900000000, 0.0008704900000000, -0.0003816300000000 ] - [ 0.0004557300000000, 0.0006969800000000, -0.0001981300000000 ] - [ 0.0006813400000000, 0.0005211300000000, 0.0000313600000000 ] - [ -0.0000297300000000, 0.0001063900000000, 0.0009776600000000 ] - [ 0.0010524100000000, 0.0003551500000000, 0.0010775300000000 ] - [ -0.0000768500000000, -0.0002755700000000, 0.0004210100000000 ] - [ -0.0005594600000000, 0.0000961200000000, 0.0007026100000000 ] - [ 0.0003402000000000, 0.0002853800000000, 0.0011085600000000 ] - [ 0.0001203200000000, 0.0002049900000000, 0.0010239100000000 ] - [ 0.0003004900000000, -0.0006965700000000, -0.0003436400000000 ] - [ 0.0011381400000000, -0.0003053600000000, -0.0000498300000000 ] - [ 0.0004614600000000, -0.0007313600000000, -0.0007415300000000 ] - [ -0.0000038000000000, -0.0015193200000000, -0.0010541500000000 ] - [ 0.0006099300000000, -0.0007118900000000, -0.0001083000000000 ] - [ 0.0004718100000000, -0.0007261200000000, -0.0002048400000000 ] - [ 0.0003667500000000, 0.0012912300000000, -0.0015550400000000 ] - [ -0.0007031000000000, 0.0003748000000000, -0.0003305100000000 ] - [ -0.0009705800000000, 0.0003870000000000, 0.0004998500000000 ] - [ -0.0004672000000000, 0.0006731500000000, -0.0002278400000000 ] - [ -0.0007992200000000, 0.0000951900000000, 0.0004530500000000 ] - [ -0.0005639800000000, 0.0004092300000000, 0.0000174600000000 ] - [ -0.0001785800000000, -0.0010863000000000, -0.0012073900000000 ] - [ -0.0006024100000000, -0.0005237000000000, -0.0002242500000000 ] - [ -0.0007931600000000, 0.0001506700000000, 0.0001369500000000 ] - [ -0.0005476200000000, -0.0007914100000000, -0.0006209600000000 ] - [ -0.0007966300000000, -0.0002575500000000, 0.0003543200000000 ] - [ -0.0006025700000000, -0.0003205100000000, 0.0001024300000000 ] - [ 0.0001966000000000, 0.0008306400000000, 0.0004404900000000 ] - [ 0.0067531200000000, -0.0007776800000000, -0.0042212700000000 ] - [ 0.0010004800000000, 0.0000118500000000, -0.0005173300000000 ] - [ -0.0000558700000000, 0.0009924000000000, 0.0011971200000000 ] - [ 0.0004399600000000, 0.0006107400000000, 0.0004906800000000 ] - [ 0.0003398700000000, 0.0009787500000000, 0.0009876900000000 ] - [ 0.0002679500000000, -0.0005534000000000, 0.0005326800000000 ] - [ 0.0006622000000000, -0.0001800300000000, 0.0028645800000000 ] - [ 0.0003702700000000, 0.0000192400000000, -0.0009974300000000 ] - [ -0.0041196500000000, -0.0033103700000000, -0.0005989800000000 ] - [ 0.0004360800000000, -0.0007942800000000, 0.0006814800000000 ] - [ 0.0002847400000000, -0.0008316700000000, 0.0009284700000000 ]- atom: 79 displacement: [ 0.0040808756811180, 0.0000000000000000, -0.0091294278941925 ] forces: - [ 0.0010442700000000, -0.0009810100000000, -0.0008909700000000 ] - [ -0.0006750400000000, -0.0007212500000000, -0.0001648700000000 ] - [ -0.0003916400000000, -0.0004372700000000, 0.0003779600000000 ] - [ -0.0000779600000000, -0.0002270400000000, -0.0000281700000000 ] - [ -0.0004438900000000, -0.0004453400000000, 0.0003470600000000 ] - [ -0.0002114900000000, -0.0003470700000000, 0.0002079500000000 ] - [ 0.0008881000000000, 0.0004682900000000, -0.0011318600000000 ] - [ -0.0003906600000000, 0.0001597400000000, -0.0000824200000000 ] - [ -0.0001803800000000, -0.0000228900000000, 0.0005879600000000 ] - [ -0.0000872900000000, -0.0000784200000000, 0.0001391700000000 ] - [ -0.0003292100000000, 0.0000332800000000, 0.0004202100000000 ] - [ 0.0000369900000000, -0.0000814700000000, 0.0001911900000000 ] - [ -0.0001589900000000, 0.0008995400000000, -0.0000639800000000 ] - [ -0.0003395300000000, 0.0004598000000000, -0.0000506000000000 ] - [ -0.0001682500000000, 0.0001295000000000, -0.0001061900000000 ] - [ -0.0003880700000000, 0.0004382700000000, -0.0000184700000000 ] - [ -0.0003568400000000, 0.0004036700000000, 0.0003038800000000 ] - [ -0.0002138100000000, 0.0003531000000000, 0.0001940400000000 ] - [ -0.0012053500000000, -0.0002779900000000, 0.0009848000000000 ] - [ -0.0004790400000000, -0.0000931500000000, 0.0000914200000000 ] - [ 0.0022594500000000, 0.0004933000000000, -0.0010743600000000 ] - [ -0.0002355900000000, -0.0000357300000000, -0.0001870700000000 ] - [ -0.0002256500000000, 0.0000049000000000, 0.0004954800000000 ] - [ 0.0000109700000000, 0.0000428300000000, 0.0003011900000000 ] - [ -0.0000581300000000, -0.0003068000000000, -0.0001991000000000 ] - [ -0.0000687100000000, 0.0002650400000000, -0.0004936700000000 ] - [ 0.0004395600000000, 0.0002157000000000, -0.0000413600000000 ] - [ -0.0000637700000000, -0.0000052800000000, 0.0000214800000000 ] - [ 0.0001130700000000, 0.0000258400000000, 0.0000226800000000 ] - [ 0.0002033700000000, 0.0000188900000000, 0.0000906200000000 ] - [ 0.0000134600000000, -0.0002142300000000, -0.0003384800000000 ] - [ 0.0003809700000000, -0.0003411000000000, -0.0004495800000000 ] - [ 0.0006223100000000, -0.0005869300000000, 0.0000342700000000 ] - [ 0.0000918100000000, -0.0004594900000000, 0.0000611100000000 ] - [ 0.0002590300000000, -0.0004366400000000, 0.0001357900000000 ] - [ 0.0003118300000000, -0.0004247100000000, 0.0002205900000000 ] - [ 0.0000626500000000, 0.0000134600000000, -0.0000164900000000 ] - [ 0.0002595800000000, 0.0000270300000000, -0.0000900300000000 ] - [ 0.0002161400000000, -0.0000767700000000, -0.0002107800000000 ] - [ -0.0000463600000000, -0.0000221600000000, -0.0002880200000000 ] - [ 0.0001734600000000, -0.0000248800000000, -0.0000121600000000 ] - [ 0.0000735400000000, -0.0000028600000000, 0.0000434000000000 ] - [ 0.0001041600000000, 0.0003801600000000, 0.0001782200000000 ] - [ 0.0008732600000000, 0.0003758500000000, -0.0001114700000000 ] - [ -0.0003750400000000, -0.0000057400000000, -0.0010253300000000 ] - [ -0.0003781100000000, 0.0005381600000000, -0.0001438300000000 ] - [ 0.0002729900000000, 0.0004775800000000, 0.0001472600000000 ] - [ 0.0002646100000000, 0.0004719400000000, 0.0001460500000000 ] - [ 0.0265331400000000, 0.0043044900000000, -0.0087475600000000 ] - [ -0.0012986800000000, 0.0013997800000000, -0.0003705200000000 ] - [ -0.0005986600000000, 0.0006399800000000, 0.0016330400000000 ] - [ 0.0006791000000000, -0.0010926500000000, 0.0013528300000000 ] - [ -0.0004347100000000, 0.0003136400000000, 0.0025350900000000 ] - [ -0.0001588900000000, 0.0002781600000000, 0.0013029000000000 ] - [ 0.0040633400000000, 0.0027008700000000, 0.0015112100000000 ] - [ -0.0005136000000000, -0.0002058400000000, 0.0011721400000000 ] - [ -0.0012034600000000, -0.0014823000000000, 0.0018216300000000 ] - [ 0.0003552200000000, 0.0000898400000000, -0.0000830400000000 ] - [ -0.0002361900000000, -0.0004084200000000, 0.0017571700000000 ] - [ 0.0001443900000000, -0.0003825900000000, 0.0013904300000000 ] - [ -0.0003886900000000, 0.0001258800000000, -0.0011262200000000 ] - [ 0.0004843300000000, 0.0008253300000000, -0.0020695100000000 ] - [ 0.0003474700000000, 0.0003067800000000, -0.0012330700000000 ] - [ -0.0005369200000000, 0.0002710300000000, -0.0004861600000000 ] - [ 0.0000344900000000, 0.0002212400000000, -0.0005751200000000 ] - [ -0.0000561700000000, 0.0000462200000000, -0.0002921900000000 ] - [ -0.0001388200000000, -0.0002656200000000, -0.0008863700000000 ] - [ 0.0010227900000000, -0.0013224400000000, -0.0003898700000000 ] - [ -0.0004881700000000, -0.0004287200000000, -0.0013848900000000 ] - [ -0.0005302500000000, 0.0013775600000000, -0.0029435700000000 ] - [ 0.0002153900000000, 0.0000209800000000, -0.0006713600000000 ] - [ -0.0002268800000000, -0.0001551700000000, -0.0003033800000000 ] - [ -0.0006280100000000, 0.0007863800000000, 0.0006732600000000 ] - [ -0.0002246000000000, 0.0008696000000000, 0.0006565800000000 ] - [ -0.0003462200000000, 0.0009629800000000, 0.0001640900000000 ] - [ -0.0005097300000000, 0.0007176400000000, 0.0003578100000000 ] - [ -0.0004508800000000, 0.0005725100000000, 0.0001319200000000 ] - [ -0.0005926400000000, 0.0006888600000000, 0.0002531500000000 ] - [ -0.0338308400000000, -0.0046810700000000, 0.0157775500000000 ] - [ 0.0008027900000000, -0.0001425400000000, -0.0004874800000000 ] - [ 0.0001774100000000, -0.0001790500000000, -0.0014627500000000 ] - [ -0.0006010800000000, -0.0001771000000000, -0.0010141200000000 ] - [ 0.0001340400000000, -0.0001407100000000, -0.0014868300000000 ] - [ -0.0002228000000000, -0.0001809900000000, -0.0008458300000000 ] - [ -0.0010899700000000, 0.0017108100000000, -0.0016813200000000 ] - [ -0.0002643600000000, -0.0007285400000000, 0.0004598100000000 ] - [ 0.0015308900000000, -0.0043433100000000, -0.0003026800000000 ] - [ -0.0002880300000000, -0.0008414700000000, 0.0007142000000000 ] - [ -0.0004421600000000, -0.0007058500000000, 0.0001263400000000 ] - [ -0.0005968900000000, -0.0007865400000000, 0.0000770800000000 ] - [ -0.0004736400000000, -0.0030643100000000, -0.0030847400000000 ] - [ -0.0000159800000000, 0.0001339300000000, -0.0007672200000000 ] - [ 0.0014075400000000, 0.0017237400000000, -0.0022353500000000 ] - [ 0.0000159900000000, 0.0001089900000000, -0.0007595200000000 ] - [ -0.0000817800000000, 0.0001541700000000, -0.0011387300000000 ] - [ -0.0003989000000000, 0.0002562400000000, -0.0010957800000000 ] - [ 0.0004610500000000, -0.0002916200000000, 0.0010147300000000 ] - [ 0.0000995700000000, -0.0002082500000000, 0.0011593600000000 ] - [ -0.0001387100000000, -0.0000697000000000, 0.0009065000000000 ] - [ 0.0004738400000000, -0.0002075100000000, 0.0008365000000000 ] - [ 0.0001558700000000, -0.0001655100000000, 0.0007311000000000 ] - [ 0.0000512300000000, -0.0001365900000000, 0.0007013300000000 ] - [ 0.0032578700000000, 0.0009684700000000, -0.0003537500000000 ] - [ -0.0001343500000000, -0.0023075300000000, 0.0013896700000000 ] - [ -0.0010672100000000, 0.0005047300000000, -0.0027984200000000 ] - [ 0.0006894000000000, 0.0006273900000000, -0.0004143500000000 ] - [ 0.0004766200000000, 0.0007969200000000, -0.0006158900000000 ] - [ 0.0002486600000000, 0.0009603000000000, -0.0008392400000000 ] - [ 0.0003750100000000, 0.0002441400000000, 0.0007974800000000 ] - [ -0.0007172900000000, -0.0000055200000000, 0.0006984000000000 ] - [ 0.0004231500000000, 0.0006239300000000, 0.0013551500000000 ] - [ 0.0009143500000000, 0.0002519000000000, 0.0010706100000000 ] - [ -0.0000000400000000, 0.0000616000000000, 0.0006576300000000 ] - [ 0.0002266500000000, 0.0001436400000000, 0.0007457600000000 ] - [ 0.0006399100000000, -0.0007771100000000, -0.0004411400000000 ] - [ -0.0002111000000000, -0.0011802500000000, -0.0007360200000000 ] - [ 0.0004691600000000, -0.0007651100000000, -0.0000675200000000 ] - [ 0.0009346900000000, 0.0000310700000000, 0.0002401700000000 ] - [ 0.0003166800000000, -0.0007802900000000, -0.0006889700000000 ] - [ 0.0004611800000000, -0.0007660000000000, -0.0005900500000000 ] - [ -0.0014901200000000, -0.0003129300000000, 0.0011700800000000 ] - [ -0.0004263200000000, 0.0006152300000000, -0.0000412900000000 ] - [ -0.0001707500000000, 0.0006466500000000, -0.0008689200000000 ] - [ -0.0006569600000000, 0.0003086000000000, -0.0001428000000000 ] - [ -0.0002899100000000, 0.0008801400000000, -0.0008915400000000 ] - [ -0.0005499000000000, 0.0006044500000000, -0.0004348400000000 ] - [ -0.0009501500000000, 0.0001052700000000, 0.0008474400000000 ] - [ -0.0005223500000000, -0.0004702300000000, -0.0001501300000000 ] - [ -0.0003315000000000, -0.0011458900000000, -0.0005346000000000 ] - [ -0.0005680900000000, -0.0002379200000000, 0.0002045500000000 ] - [ -0.0003256700000000, -0.0007540300000000, -0.0007511300000000 ] - [ -0.0005249000000000, -0.0006769400000000, -0.0004854300000000 ] - [ 0.0009544900000000, 0.0001799000000000, -0.0000828200000000 ] - [ -0.0056340800000000, 0.0017885800000000, 0.0046602200000000 ] - [ 0.0001063500000000, 0.0009801900000000, 0.0009378500000000 ] - [ 0.0011917500000000, 0.0000094300000000, -0.0008157400000000 ] - [ 0.0006852300000000, 0.0003843800000000, -0.0001087300000000 ] - [ 0.0007924800000000, 0.0000443100000000, -0.0006108200000000 ] - [ 0.0008414900000000, -0.0004712900000000, -0.0000960000000000 ] - [ 0.0004729200000000, -0.0008481600000000, -0.0025096000000000 ] - [ 0.0007827700000000, -0.0010405500000000, 0.0013508300000000 ] - [ 0.0051741900000000, 0.0022908500000000, 0.0009563000000000 ] - [ 0.0006958400000000, -0.0002000000000000, -0.0003038500000000 ] - [ 0.0008305500000000, -0.0001651700000000, -0.0005256800000000 ]- atom: 121 displacement: [ 0.0099999774088725, 0.0000000000000000, -0.0000212561059198 ] forces: - [ 0.0037949500000000, -0.0003448200000000, -0.0014151100000000 ] - [ -0.0014353300000000, -0.0008124000000000, -0.0002844100000000 ] - [ -0.0005996000000000, -0.0005597200000000, 0.0010246500000000 ] - [ -0.0002518600000000, -0.0003436500000000, -0.0001047400000000 ] - [ -0.0006562700000000, -0.0003660400000000, 0.0006573700000000 ] - [ 0.0000070800000000, -0.0002888600000000, 0.0001443200000000 ] - [ -0.0004070100000000, -0.0008163200000000, -0.0001679700000000 ] - [ -0.0001962400000000, -0.0000926400000000, 0.0000813400000000 ] - [ -0.0000148800000000, 0.0001019200000000, 0.0001555400000000 ] - [ -0.0001695700000000, -0.0000390000000000, 0.0000918200000000 ] - [ -0.0002102100000000, 0.0000304900000000, 0.0001753900000000 ] - [ -0.0000069900000000, -0.0000191500000000, 0.0001024200000000 ] - [ -0.0008366800000000, -0.0001118200000000, 0.0004751600000000 ] - [ -0.0003855600000000, 0.0001765100000000, 0.0001500500000000 ] - [ 0.0008732500000000, 0.0011675300000000, -0.0006762000000000 ] - [ -0.0006472500000000, 0.0004648000000000, -0.0001151600000000 ] - [ -0.0004246500000000, 0.0003993900000000, 0.0004458500000000 ] - [ -0.0001838600000000, 0.0003777300000000, 0.0001105000000000 ] - [ -0.0002641200000000, 0.0003869600000000, -0.0001878400000000 ] - [ -0.0002514400000000, -0.0000881100000000, 0.0000417000000000 ] - [ 0.0003134100000000, -0.0012089500000000, 0.0002615300000000 ] - [ -0.0003477200000000, 0.0000296900000000, -0.0000312000000000 ] - [ -0.0001705600000000, -0.0000042300000000, 0.0003525800000000 ] - [ -0.0000178600000000, 0.0000249100000000, 0.0001926900000000 ] - [ -0.0006331500000000, 0.0000446400000000, 0.0001034200000000 ] - [ -0.0020536800000000, -0.0011363200000000, -0.0048255000000000 ] - [ 0.0011702400000000, 0.0006154100000000, -0.0002223000000000 ] - [ -0.0007595100000000, -0.0002205200000000, 0.0010121000000000 ] - [ 0.0001212100000000, 0.0000193400000000, 0.0000228600000000 ] - [ 0.0001267400000000, 0.0000577300000000, 0.0002539100000000 ] - [ 0.0001566500000000, -0.0005225600000000, -0.0001194700000000 ] - [ 0.0011078200000000, -0.0008417400000000, 0.0001418600000000 ] - [ 0.0003536300000000, -0.0004986700000000, -0.0001387600000000 ] - [ 0.0001864500000000, -0.0001211400000000, -0.0001180600000000 ] - [ 0.0002955300000000, -0.0004108100000000, 0.0000733100000000 ] - [ 0.0002766000000000, -0.0004910200000000, 0.0001476100000000 ] - [ 0.0000092900000000, -0.0000060500000000, 0.0001041900000000 ] - [ 0.0005751800000000, -0.0004156400000000, 0.0000400200000000 ] - [ -0.0010781600000000, -0.0004263500000000, -0.0006901300000000 ] - [ -0.0001618300000000, 0.0012004800000000, -0.0007835300000000 ] - [ 0.0003717000000000, -0.0000228000000000, -0.0000649600000000 ] - [ -0.0001090700000000, 0.0000251400000000, 0.0002053300000000 ] - [ 0.0000917400000000, 0.0003480700000000, -0.0000505400000000 ] - [ 0.0007531400000000, 0.0008852400000000, -0.0001767000000000 ] - [ 0.0003737900000000, 0.0009343700000000, -0.0001814300000000 ] - [ -0.0000162600000000, -0.0006898100000000, -0.0000751000000000 ] - [ 0.0003984000000000, 0.0004193400000000, 0.0000126700000000 ] - [ 0.0001738600000000, 0.0004181500000000, 0.0001258200000000 ] - [ 0.0007215200000000, -0.0014781000000000, 0.0005639300000000 ] - [ -0.0007007900000000, 0.0004834700000000, 0.0006253900000000 ] - [ -0.0000179200000000, -0.0002302200000000, 0.0013685300000000 ] - [ 0.0001392500000000, -0.0001847500000000, 0.0010586400000000 ] - [ 0.0000801000000000, 0.0008343700000000, 0.0014066300000000 ] - [ 0.0000501800000000, 0.0001140800000000, 0.0010706800000000 ] - [ 0.0003305300000000, -0.0009666100000000, 0.0009179600000000 ] - [ -0.0002340900000000, -0.0003690700000000, 0.0008605000000000 ] - [ 0.0002204700000000, -0.0006667600000000, 0.0009084600000000 ] - [ -0.0002050700000000, -0.0006294300000000, 0.0004889300000000 ] - [ -0.0001712700000000, -0.0004203900000000, 0.0015018600000000 ] - [ 0.0001430200000000, -0.0003265700000000, 0.0011045100000000 ] - [ -0.0011061400000000, 0.0001751500000000, -0.0010398300000000 ] - [ 0.0183666200000000, -0.0072952700000000, 0.0029742300000000 ] - [ -0.0000404800000000, 0.0002053000000000, -0.0018205200000000 ] - [ -0.0022500000000000, 0.0010200500000000, 0.0034099400000000 ] - [ 0.0001866900000000, 0.0001924600000000, -0.0006926500000000 ] - [ -0.0003712400000000, -0.0003230500000000, 0.0001786200000000 ] - [ -0.0004338900000000, 0.0007144000000000, -0.0009473000000000 ] - [ 0.0001360900000000, 0.0003151200000000, 0.0032331700000000 ] - [ -0.0029645900000000, -0.0007604300000000, -0.0012619700000000 ] - [ 0.0527290700000000, 0.0080150400000000, -0.0625424900000000 ] - [ 0.0007383400000000, -0.0001335300000000, -0.0011073000000000 ] - [ -0.0006596600000000, -0.0001928300000000, 0.0003458100000000 ] - [ 0.0002700200000000, 0.0056580600000000, 0.0010282400000000 ] - [ -0.0001809400000000, 0.0008824700000000, 0.0008411700000000 ] - [ -0.0008907800000000, 0.0000023800000000, -0.0003776400000000 ] - [ -0.0002609400000000, 0.0008978200000000, 0.0005389300000000 ] - [ -0.0003068800000000, 0.0008861900000000, 0.0001806100000000 ] - [ -0.0005093500000000, 0.0007703400000000, 0.0004346900000000 ] - [ -0.0009080700000000, -0.0001951400000000, -0.0001941800000000 ] - [ 0.0004849700000000, 0.0001875900000000, -0.0007409100000000 ] - [ -0.0001711700000000, -0.0000036900000000, -0.0011619200000000 ] - [ -0.0002555900000000, -0.0001691500000000, -0.0009281800000000 ] - [ 0.0000349000000000, -0.0004345000000000, -0.0012295700000000 ] - [ -0.0003195300000000, -0.0002245600000000, -0.0008484900000000 ] - [ 0.0008782400000000, -0.0022156500000000, -0.0020781400000000 ] - [ 0.0001721300000000, -0.0009604000000000, 0.0014436000000000 ] - [ -0.0070255800000000, 0.0056381000000000, -0.0008966800000000 ] - [ 0.0008291000000000, -0.0014111700000000, 0.0010418300000000 ] - [ -0.0004645200000000, -0.0006451400000000, 0.0000486900000000 ] - [ -0.0006349100000000, -0.0006601600000000, 0.0001408900000000 ] - [ -0.0000175700000000, 0.0005675100000000, -0.0010659800000000 ] - [ -0.0000878000000000, 0.0001494200000000, -0.0008312400000000 ] - [ -0.0005751700000000, 0.0003346800000000, -0.0006438900000000 ] - [ 0.0001366700000000, 0.0001419900000000, -0.0007903600000000 ] - [ -0.0000968300000000, 0.0001654000000000, -0.0011074200000000 ] - [ -0.0003225000000000, 0.0002339100000000, -0.0009915400000000 ] - [ 0.0010421100000000, -0.0001302000000000, 0.0008547900000000 ] - [ -0.0045592200000000, -0.0066424100000000, 0.0055537900000000 ] - [ 0.0000763900000000, -0.0001802100000000, 0.0013344600000000 ] - [ 0.0011009000000000, -0.0008952400000000, 0.0006205900000000 ] - [ 0.0001069400000000, -0.0001660400000000, 0.0007198800000000 ] - [ 0.0001070400000000, -0.0000971000000000, 0.0006063400000000 ] - [ 0.0008738700000000, 0.0002953500000000, -0.0001765400000000 ] - [ -0.0001928600000000, 0.0032605900000000, 0.0003847800000000 ] - [ -0.0001448200000000, 0.0009981400000000, -0.0006339300000000 ] - [ 0.0006598400000000, 0.0013416300000000, -0.0008902700000000 ] - [ 0.0004377000000000, 0.0008425900000000, -0.0004977600000000 ] - [ 0.0004250600000000, 0.0005793600000000, -0.0007710400000000 ] - [ 0.0006606300000000, 0.0001814100000000, 0.0007915100000000 ] - [ -0.0010364900000000, -0.0003018200000000, 0.0004507500000000 ] - [ 0.0054135100000000, -0.0005340300000000, 0.0030054100000000 ] - [ 0.0080197400000000, 0.0006223400000000, -0.0006219700000000 ] - [ -0.0004726600000000, -0.0000338400000000, 0.0004529100000000 ] - [ 0.0004639800000000, 0.0002429700000000, 0.0007165000000000 ] - [ 0.0006157000000000, -0.0006384000000000, -0.0003882100000000 ] - [ 0.0001388200000000, -0.0005709800000000, -0.0006202800000000 ] - [ 0.0008552800000000, -0.0002693000000000, -0.0000141600000000 ] - [ 0.0004178700000000, -0.0008752600000000, 0.0000557100000000 ] - [ 0.0003230500000000, -0.0007853200000000, -0.0004638600000000 ] - [ 0.0005378800000000, -0.0008290100000000, -0.0005992800000000 ] - [ -0.0739516700000000, 0.0045505200000000, 0.0632118600000000 ] - [ 0.0004635800000000, 0.0005108000000000, -0.0010624100000000 ] - [ 0.0000381900000000, 0.0011538400000000, -0.0016408500000000 ] - [ -0.0007060600000000, 0.0001243200000000, 0.0003618800000000 ] - [ 0.0000597200000000, 0.0012902400000000, -0.0017362100000000 ] - [ -0.0006994000000000, 0.0005504400000000, -0.0003194700000000 ] - [ 0.0002983100000000, 0.0009979100000000, -0.0039990800000000 ] - [ -0.0005924600000000, -0.0008898900000000, -0.0007130300000000 ] - [ 0.0003306800000000, -0.0104630500000000, -0.0064106600000000 ] - [ -0.0005884000000000, 0.0003751300000000, 0.0007583700000000 ] - [ -0.0001905300000000, -0.0008682200000000, -0.0010268000000000 ] - [ -0.0006757700000000, -0.0006299700000000, -0.0002546800000000 ] - [ 0.0007178700000000, 0.0005937300000000, 0.0002451200000000 ] - [ 0.0000749400000000, 0.0021330900000000, 0.0007278100000000 ] - [ 0.0003663700000000, 0.0007734300000000, 0.0005885800000000 ] - [ 0.0005384800000000, 0.0006776000000000, 0.0005033000000000 ] - [ 0.0005764700000000, 0.0005037000000000, 0.0001007600000000 ] - [ 0.0007260500000000, 0.0002088000000000, -0.0003264700000000 ] - [ 0.0006916400000000, -0.0003835600000000, 0.0001247500000000 ] - [ 0.0003522300000000, -0.0007322500000000, 0.0001950100000000 ] - [ 0.0005819400000000, -0.0005097300000000, 0.0001394900000000 ] - [ 0.0006479100000000, 0.0003205600000000, 0.0003479800000000 ] - [ 0.0005643900000000, -0.0004018200000000, 0.0000112000000000 ] - [ 0.0007993200000000, -0.0002183000000000, -0.0003917500000000 ]- atom: 121 displacement: [ -0.0099999774088725, 0.0000000000000000, 0.0000212561059198 ] forces: - [ -0.0042682500000000, -0.0007227700000000, 0.0016272900000000 ] - [ 0.0008445500000000, 0.0000104300000000, 0.0004921500000000 ] - [ 0.0000302000000000, -0.0002674100000000, -0.0010421300000000 ] - [ -0.0003135400000000, -0.0004912200000000, 0.0000911500000000 ] - [ 0.0000624400000000, -0.0004568400000000, -0.0005294700000000 ] - [ -0.0006034600000000, -0.0005372900000000, -0.0000164200000000 ] - [ 0.0001855700000000, 0.0008304700000000, 0.0004016800000000 ] - [ -0.0000256200000000, 0.0000991400000000, 0.0001535100000000 ] - [ -0.0002476800000000, -0.0000823000000000, 0.0000730500000000 ] - [ -0.0000916800000000, 0.0000588700000000, 0.0001386400000000 ] - [ -0.0000457300000000, -0.0000268800000000, -0.0000725900000000 ] - [ -0.0002478800000000, 0.0000286900000000, 0.0000009700000000 ] - [ 0.0002767700000000, 0.0009474500000000, -0.0004923600000000 ] - [ -0.0001882100000000, 0.0006607800000000, -0.0001650100000000 ] - [ -0.0014777600000000, -0.0003525800000000, 0.0008158200000000 ] - [ 0.0000590500000000, 0.0003616400000000, 0.0002464300000000 ] - [ -0.0001618500000000, 0.0004301300000000, -0.0002465600000000 ] - [ -0.0004018900000000, 0.0004445700000000, 0.0000890500000000 ] - [ 0.0000023600000000, -0.0004104800000000, 0.0004197000000000 ] - [ -0.0000114700000000, 0.0000682100000000, 0.0001866000000000 ] - [ -0.0005702500000000, 0.0012160500000000, -0.0001573500000000 ] - [ 0.0000951500000000, -0.0000306400000000, 0.0001391400000000 ] - [ -0.0000526200000000, 0.0000030100000000, -0.0001237200000000 ] - [ -0.0002058800000000, -0.0000294700000000, 0.0000381800000000 ] - [ 0.0008539800000000, -0.0000346800000000, -0.0003326300000000 ] - [ 0.0022329100000000, 0.0011191200000000, 0.0045968000000000 ] - [ -0.0009243000000000, -0.0006139500000000, 0.0001103200000000 ] - [ 0.0010148300000000, 0.0002252500000000, -0.0011314100000000 ] - [ 0.0001396700000000, -0.0000004100000000, -0.0002523200000000 ] - [ 0.0001347900000000, -0.0000321300000000, -0.0004873400000000 ] - [ 0.0004292100000000, -0.0003106800000000, -0.0000835200000000 ] - [ -0.0005167200000000, 0.0000251100000000, -0.0003389600000000 ] - [ 0.0002403300000000, -0.0003308900000000, 0.0000085600000000 ] - [ 0.0004100900000000, -0.0007034400000000, -0.0000110200000000 ] - [ 0.0002782100000000, -0.0004097200000000, -0.0000624100000000 ] - [ 0.0002954600000000, -0.0003346300000000, -0.0001390400000000 ] - [ 0.0002383100000000, -0.0000026800000000, -0.0002115600000000 ] - [ -0.0003214600000000, 0.0004077800000000, -0.0001577100000000 ] - [ 0.0013391900000000, 0.0003918000000000, 0.0004610900000000 ] - [ 0.0004157600000000, -0.0012341000000000, 0.0005649500000000 ] - [ -0.0001518800000000, 0.0000204900000000, -0.0001725900000000 ] - [ 0.0003276800000000, -0.0000291900000000, -0.0004436600000000 ] - [ 0.0004933600000000, 0.0004941400000000, -0.0000784600000000 ] - [ -0.0001615900000000, -0.0000536700000000, 0.0000470300000000 ] - [ 0.0001966400000000, -0.0001020300000000, 0.0001933200000000 ] - [ 0.0005846200000000, 0.0015349600000000, 0.0000919700000000 ] - [ 0.0001928400000000, 0.0003996700000000, -0.0002175000000000 ] - [ 0.0004127300000000, 0.0004144500000000, -0.0003333400000000 ] - [ -0.0007050300000000, 0.0019811200000000, 0.0013021800000000 ] - [ 0.0007036400000000, 0.0000337100000000, 0.0012425500000000 ] - [ 0.0000170300000000, 0.0007212000000000, 0.0004938300000000 ] - [ -0.0001488800000000, 0.0006944700000000, 0.0008234100000000 ] - [ -0.0000970400000000, -0.0003116800000000, 0.0004758600000000 ] - [ -0.0000666000000000, 0.0004004200000000, 0.0008002300000000 ] - [ -0.0003392300000000, 0.0004804900000000, 0.0009728700000000 ] - [ 0.0002253200000000, -0.0001393500000000, 0.0010186200000000 ] - [ -0.0002443400000000, 0.0001504000000000, 0.0009912100000000 ] - [ 0.0001944900000000, 0.0001197300000000, 0.0013908800000000 ] - [ 0.0001796100000000, -0.0000930600000000, 0.0003512100000000 ] - [ -0.0001459600000000, -0.0001743900000000, 0.0007491100000000 ] - [ 0.0011038700000000, 0.0003262400000000, -0.0008024400000000 ] - [ -0.0182044000000000, 0.0071500800000000, -0.0044934600000000 ] - [ 0.0000696900000000, 0.0003186300000000, -0.0000824300000000 ] - [ 0.0022828400000000, -0.0005193100000000, -0.0053289800000000 ] - [ -0.0001833400000000, 0.0002972300000000, -0.0011906400000000 ] - [ 0.0003874700000000, 0.0008228100000000, -0.0020678300000000 ] - [ 0.0004518400000000, -0.0012386900000000, -0.0009439100000000 ] - [ -0.0001093500000000, -0.0008538900000000, -0.0051222800000000 ] - [ 0.0029640700000000, 0.0002634900000000, -0.0006113000000000 ] - [ -0.0532976100000000, -0.0086968500000000, 0.0625397000000000 ] - [ -0.0007472400000000, -0.0003753500000000, -0.0007444900000000 ] - [ 0.0006671700000000, -0.0003126200000000, -0.0022188300000000 ] - [ -0.0012361100000000, -0.0041794100000000, -0.0002745100000000 ] - [ -0.0007417300000000, 0.0006173100000000, -0.0000415500000000 ] - [ -0.0000326900000000, 0.0015040300000000, 0.0012006600000000 ] - [ -0.0006618900000000, 0.0006042200000000, 0.0002821200000000 ] - [ -0.0006110600000000, 0.0006162600000000, 0.0006279500000000 ] - [ -0.0004119600000000, 0.0007266300000000, 0.0003737000000000 ] - [ 0.0005501200000000, -0.0001643900000000, -0.0015836500000000 ] - [ -0.0008475900000000, -0.0005421800000000, -0.0010337200000000 ] - [ -0.0001907800000000, -0.0003511500000000, -0.0006090400000000 ] - [ -0.0000974200000000, -0.0001783500000000, -0.0008423900000000 ] - [ -0.0004015000000000, 0.0000824000000000, -0.0005456800000000 ] - [ -0.0000308700000000, -0.0001274300000000, -0.0009259100000000 ] - [ -0.0018116900000000, 0.0007145300000000, 0.0028829200000000 ] - [ -0.0010983900000000, -0.0005399100000000, -0.0006300700000000 ] - [ 0.0061785600000000, -0.0072219800000000, 0.0016901500000000 ] - [ -0.0017526000000000, -0.0000986900000000, -0.0002376600000000 ] - [ -0.0004591400000000, -0.0008527700000000, 0.0007519800000000 ] - [ -0.0002871400000000, -0.0008414300000000, 0.0006679400000000 ] - [ -0.0003633600000000, -0.0002129400000000, -0.0007108100000000 ] - [ -0.0002833900000000, 0.0001998100000000, -0.0009441800000000 ] - [ 0.0002228400000000, 0.0000138800000000, -0.0011371000000000 ] - [ -0.0004942100000000, 0.0002132200000000, -0.0009877700000000 ] - [ -0.0002620300000000, 0.0001837300000000, -0.0006630500000000 ] - [ -0.0000332200000000, 0.0001169500000000, -0.0007785100000000 ] - [ -0.0006945600000000, -0.0002132100000000, 0.0009101600000000 ] - [ 0.0049118700000000, 0.0063099000000000, -0.0037959600000000 ] - [ 0.0002626100000000, -0.0001645000000000, 0.0004343300000000 ] - [ -0.0007611200000000, 0.0005510600000000, 0.0011567900000000 ] - [ 0.0002532700000000, -0.0001857800000000, 0.0010562300000000 ] - [ 0.0002438000000000, -0.0002504100000000, 0.0011660700000000 ] - [ 0.0000539600000000, 0.0011876200000000, -0.0006194900000000 ] - [ 0.0011268400000000, -0.0017503000000000, -0.0011873000000000 ] - [ 0.0010705500000000, 0.0004963000000000, -0.0001653600000000 ] - [ 0.0002670600000000, 0.0001517700000000, 0.0000989800000000 ] - [ 0.0004940000000000, 0.0006500200000000, -0.0003141700000000 ] - [ 0.0005055200000000, 0.0009016400000000, -0.0000338500000000 ] - [ -0.0003154800000000, 0.0001691700000000, 0.0009839700000000 ] - [ 0.0013820000000000, 0.0006578900000000, 0.0013349300000000 ] - [ -0.0050232900000000, 0.0008780200000000, -0.0012147700000000 ] - [ -0.0077922400000000, -0.0002911000000000, 0.0024843200000000 ] - [ 0.0008207000000000, 0.0003838300000000, 0.0013184600000000 ] - [ -0.0001168600000000, 0.0001060300000000, 0.0010580600000000 ] - [ 0.0003234400000000, -0.0008368500000000, -0.0003969900000000 ] - [ 0.0007893800000000, -0.0009210600000000, -0.0001634300000000 ] - [ 0.0000735800000000, -0.0012264400000000, -0.0007984200000000 ] - [ 0.0005108200000000, -0.0006181400000000, -0.0008773800000000 ] - [ 0.0006056300000000, -0.0007062300000000, -0.0003298300000000 ] - [ 0.0003955000000000, -0.0006612900000000, -0.0001924400000000 ] - [ 0.0732730800000000, -0.0024750900000000, -0.0659246500000000 ] - [ -0.0015878300000000, 0.0004909000000000, 0.0006639800000000 ] - [ -0.0011864700000000, -0.0001366400000000, 0.0012965700000000 ] - [ -0.0004190700000000, 0.0008631000000000, -0.0007331600000000 ] - [ -0.0011657700000000, -0.0003241700000000, 0.0013265500000000 ] - [ -0.0004118400000000, 0.0004665100000000, -0.0001010500000000 ] - [ -0.0014887300000000, -0.0019332100000000, 0.0036906900000000 ] - [ -0.0005300300000000, -0.0001017500000000, 0.0003385400000000 ] - [ -0.0014473400000000, 0.0095525600000000, 0.0060208900000000 ] - [ -0.0005361900000000, -0.0013851700000000, -0.0011575300000000 ] - [ -0.0009319200000000, -0.0001413700000000, 0.0006328500000000 ] - [ -0.0004555100000000, -0.0003636100000000, -0.0001185600000000 ] - [ 0.0004264800000000, 0.0004242700000000, 0.0001212800000000 ] - [ 0.0010605300000000, -0.0011561800000000, -0.0003660700000000 ] - [ 0.0007471800000000, 0.0002164500000000, -0.0001760500000000 ] - [ 0.0005936500000000, 0.0003201900000000, -0.0001190400000000 ] - [ 0.0005492400000000, 0.0004950800000000, 0.0002838200000000 ] - [ 0.0004065400000000, 0.0008124700000000, 0.0007044000000000 ] - [ 0.0004176100000000, -0.0006329500000000, 0.0003090200000000 ] - [ 0.0007874800000000, -0.0002994500000000, 0.0001931300000000 ] - [ 0.0005755600000000, -0.0005209700000000, 0.0002056600000000 ] - [ 0.0004603600000000, -0.0013262200000000, 0.0000539000000000 ] - [ 0.0005665100000000, -0.0005929400000000, 0.0003696300000000 ] - [ 0.0003117700000000, -0.0007890000000000, 0.0008070600000000 ]- atom: 121 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005744700000000, 0.0027003800000000, -0.0013521700000000 ] - [ -0.0013094700000000, -0.0008431800000000, -0.0004790100000000 ] - [ -0.0008953000000000, -0.0004031700000000, 0.0017854100000000 ] - [ -0.0003024700000000, -0.0003273300000000, 0.0001922500000000 ] - [ -0.0003157700000000, -0.0003308100000000, -0.0000346700000000 ] - [ -0.0000541900000000, -0.0002160000000000, 0.0001542800000000 ] - [ -0.0008002200000000, -0.0025677600000000, -0.0004302800000000 ] - [ -0.0000921400000000, -0.0003591800000000, 0.0000023200000000 ] - [ 0.0000185400000000, 0.0000056600000000, 0.0000886000000000 ] - [ -0.0001493000000000, -0.0000603800000000, 0.0001131900000000 ] - [ -0.0002132800000000, -0.0001112900000000, 0.0003341800000000 ] - [ 0.0000939800000000, -0.0003241400000000, 0.0002719700000000 ] - [ -0.0016433900000000, -0.0004315600000000, 0.0012495000000000 ] - [ 0.0015427100000000, -0.0004966300000000, 0.0007999400000000 ] - [ 0.0013916600000000, 0.0011212200000000, -0.0021869500000000 ] - [ -0.0005020900000000, 0.0006857300000000, -0.0002789100000000 ] - [ -0.0003558100000000, 0.0003573200000000, 0.0004853900000000 ] - [ -0.0003041500000000, 0.0003576200000000, 0.0003349200000000 ] - [ -0.0000456900000000, -0.0003410300000000, -0.0003357000000000 ] - [ -0.0011066600000000, -0.0003794700000000, -0.0004135300000000 ] - [ 0.0003078200000000, -0.0012190000000000, 0.0005164400000000 ] - [ -0.0002558900000000, -0.0002764000000000, 0.0000333200000000 ] - [ -0.0001363400000000, -0.0000147200000000, 0.0003605900000000 ] - [ -0.0000578200000000, -0.0000294200000000, 0.0002206800000000 ] - [ 0.0000624400000000, 0.0003021100000000, -0.0004363100000000 ] - [ -0.0037871100000000, 0.0030410700000000, -0.0044997000000000 ] - [ 0.0011795000000000, 0.0006669700000000, 0.0006138100000000 ] - [ -0.0005038700000000, -0.0000413700000000, 0.0010760300000000 ] - [ 0.0001586100000000, 0.0001268000000000, 0.0000574000000000 ] - [ 0.0001284200000000, 0.0001049100000000, 0.0002507700000000 ] - [ 0.0001158800000000, -0.0005903900000000, -0.0001077000000000 ] - [ 0.0011653200000000, -0.0030646000000000, -0.0003720900000000 ] - [ 0.0002871400000000, -0.0004416300000000, -0.0002171000000000 ] - [ 0.0002517700000000, -0.0001270300000000, -0.0002285800000000 ] - [ 0.0004273500000000, -0.0005849600000000, 0.0001685300000000 ] - [ 0.0001848500000000, -0.0004944500000000, 0.0004157800000000 ] - [ 0.0000805800000000, 0.0000654000000000, 0.0001076500000000 ] - [ -0.0000352300000000, -0.0000246700000000, 0.0021111600000000 ] - [ -0.0018718600000000, 0.0012842800000000, -0.0010095200000000 ] - [ 0.0007527000000000, 0.0010942400000000, -0.0024914200000000 ] - [ 0.0003288000000000, 0.0000391400000000, 0.0000131400000000 ] - [ -0.0000648400000000, 0.0000475100000000, 0.0002279300000000 ] - [ 0.0002561700000000, 0.0003400800000000, -0.0001503400000000 ] - [ 0.0006493800000000, 0.0006124600000000, -0.0010604100000000 ] - [ 0.0006250700000000, 0.0003036300000000, 0.0000790100000000 ] - [ -0.0005498700000000, -0.0007037900000000, 0.0002507500000000 ] - [ 0.0003956800000000, 0.0004191600000000, 0.0001087000000000 ] - [ 0.0001975500000000, 0.0004331200000000, 0.0001557700000000 ] - [ 0.0023651500000000, -0.0061402000000000, 0.0024895700000000 ] - [ -0.0006583300000000, -0.0005954500000000, 0.0006363800000000 ] - [ 0.0000094500000000, -0.0007340000000000, 0.0014423400000000 ] - [ 0.0001729900000000, -0.0007183900000000, 0.0012966700000000 ] - [ -0.0002609500000000, -0.0000586500000000, 0.0013785600000000 ] - [ -0.0002753800000000, -0.0001947800000000, 0.0013556300000000 ] - [ 0.0010369500000000, -0.0037653600000000, -0.0003904800000000 ] - [ 0.0006379100000000, -0.0008107200000000, 0.0007653800000000 ] - [ -0.0000110900000000, -0.0024200000000000, 0.0010443700000000 ] - [ -0.0002137400000000, -0.0015003000000000, 0.0003995800000000 ] - [ -0.0001632800000000, -0.0006962600000000, 0.0015682900000000 ] - [ 0.0001779300000000, -0.0007913000000000, 0.0012199700000000 ] - [ -0.0001107000000000, 0.0018886000000000, -0.0017222700000000 ] - [ 0.0022868900000000, 0.1230502500000000, -0.0595001300000000 ] - [ -0.0008966600000000, 0.0008926200000000, -0.0004460300000000 ] - [ -0.0014391900000000, 0.0013725500000000, 0.0023100400000000 ] - [ 0.0005993500000000, 0.0014821900000000, -0.0000482600000000 ] - [ -0.0004305400000000, 0.0003666400000000, 0.0004177100000000 ] - [ 0.0003077900000000, 0.0016839300000000, -0.0008386300000000 ] - [ -0.0011762000000000, 0.0089981400000000, 0.0021571300000000 ] - [ 0.0003963400000000, 0.0008337900000000, -0.0015923200000000 ] - [ -0.0095157700000000, 0.0203299000000000, 0.0078227700000000 ] - [ 0.0007293000000000, 0.0003586300000000, -0.0007680200000000 ] - [ -0.0005374300000000, 0.0001186700000000, 0.0003755000000000 ] - [ 0.0053972600000000, 0.0117888900000000, 0.0066785800000000 ] - [ -0.0010344600000000, 0.0007768900000000, 0.0007992200000000 ] - [ -0.0008091800000000, 0.0000920900000000, -0.0002690100000000 ] - [ -0.0003761600000000, 0.0007012200000000, 0.0003343700000000 ] - [ -0.0002694800000000, 0.0007897500000000, -0.0001737300000000 ] - [ -0.0012169300000000, 0.0004263600000000, -0.0009999000000000 ] - [ -0.0017869300000000, 0.0012073900000000, -0.0007241400000000 ] - [ 0.0005965600000000, 0.0004192500000000, -0.0006810700000000 ] - [ -0.0001178600000000, 0.0002303300000000, -0.0012948600000000 ] - [ -0.0002152400000000, -0.0000641600000000, -0.0010196000000000 ] - [ -0.0000957500000000, 0.0000667900000000, -0.0009979800000000 ] - [ -0.0000230100000000, -0.0000629300000000, -0.0006250100000000 ] - [ -0.0007000300000000, -0.0023021100000000, 0.0038989000000000 ] - [ 0.0001222100000000, -0.0015467400000000, 0.0016056700000000 ] - [ 0.0008934100000000, 0.0027718100000000, -0.0081556800000000 ] - [ -0.0000056900000000, -0.0006346700000000, 0.0003933700000000 ] - [ -0.0004892300000000, -0.0007062500000000, 0.0000453600000000 ] - [ -0.0006074300000000, -0.0007091900000000, 0.0001059500000000 ] - [ 0.0003466200000000, 0.0014165500000000, -0.0013709700000000 ] - [ -0.0008601800000000, 0.0013131400000000, -0.0008887700000000 ] - [ -0.0006432000000000, 0.0008449200000000, -0.0004479100000000 ] - [ 0.0001407800000000, 0.0002676500000000, -0.0007229700000000 ] - [ -0.0001346100000000, 0.0003155000000000, -0.0011471600000000 ] - [ -0.0003485800000000, 0.0003864200000000, -0.0011625700000000 ] - [ 0.0011786500000000, -0.0005707500000000, 0.0009791800000000 ] - [ -0.0138748000000000, 0.0033068300000000, -0.0039512800000000 ] - [ 0.0007488900000000, -0.0008346000000000, 0.0016803800000000 ] - [ 0.0006711900000000, -0.0009709400000000, 0.0005730400000000 ] - [ -0.0001929300000000, -0.0002258400000000, 0.0005968600000000 ] - [ 0.0002254600000000, -0.0002152800000000, 0.0003932300000000 ] - [ 0.0004655400000000, 0.0007830700000000, -0.0001636100000000 ] - [ 0.0015110600000000, 0.0102561800000000, 0.0007868600000000 ] - [ -0.0000772800000000, 0.0012800300000000, -0.0010161800000000 ] - [ 0.0006232300000000, 0.0015232600000000, -0.0011070100000000 ] - [ 0.0003973000000000, 0.0008527300000000, -0.0005799400000000 ] - [ 0.0005017600000000, 0.0007418900000000, -0.0005532300000000 ] - [ 0.0001895300000000, -0.0000494100000000, 0.0008521400000000 ] - [ -0.0007247500000000, -0.0008387500000000, 0.0008615600000000 ] - [ -0.0014725800000000, -0.0007679000000000, 0.0007373900000000 ] - [ 0.0073605600000000, 0.0003985300000000, 0.0010277600000000 ] - [ -0.0006399700000000, -0.0001972700000000, 0.0001964900000000 ] - [ 0.0003528400000000, 0.0001243200000000, 0.0006017200000000 ] - [ 0.0004414500000000, -0.0006373300000000, -0.0004919500000000 ] - [ 0.0009426200000000, 0.0009986000000000, -0.0008398800000000 ] - [ 0.0013201700000000, 0.0002009800000000, 0.0004372100000000 ] - [ 0.0004947300000000, 0.0000721700000000, 0.0008751100000000 ] - [ 0.0003427900000000, -0.0006703000000000, -0.0005705300000000 ] - [ 0.0005212000000000, -0.0007712500000000, -0.0006036600000000 ] - [ 0.0025459900000000, -0.1586984000000000, 0.0702031700000000 ] - [ -0.0005401800000000, -0.0009805100000000, 0.0014184500000000 ] - [ 0.0002507000000000, 0.0004227100000000, -0.0016850400000000 ] - [ -0.0005184400000000, -0.0000377400000000, -0.0000002300000000 ] - [ 0.0000986700000000, 0.0004446300000000, -0.0012125300000000 ] - [ -0.0009235300000000, -0.0000402000000000, 0.0001040000000000 ] - [ 0.0094799100000000, -0.0115268100000000, -0.0178419700000000 ] - [ -0.0014517800000000, -0.0015142100000000, -0.0009131300000000 ] - [ -0.0019918000000000, -0.0114117300000000, -0.0012526100000000 ] - [ -0.0001690600000000, -0.0015203000000000, -0.0009658500000000 ] - [ -0.0002129300000000, -0.0011139700000000, -0.0012048800000000 ] - [ -0.0004392300000000, -0.0011256500000000, -0.0009163400000000 ] - [ 0.0004997200000000, 0.0013399800000000, 0.0009405900000000 ] - [ -0.0010696300000000, 0.0056994000000000, 0.0029090000000000 ] - [ 0.0002717200000000, 0.0010336800000000, 0.0009194900000000 ] - [ 0.0003676300000000, 0.0011004200000000, 0.0010161600000000 ] - [ 0.0005567600000000, 0.0007718700000000, 0.0001214100000000 ] - [ 0.0008485800000000, 0.0005471700000000, -0.0003534500000000 ] - [ 0.0006766600000000, 0.0000852200000000, -0.0002796100000000 ] - [ 0.0003502800000000, 0.0006773100000000, -0.0000073800000000 ] - [ 0.0005590300000000, 0.0002671900000000, -0.0002794600000000 ] - [ 0.0013858400000000, 0.0018266600000000, -0.0015780600000000 ] - [ 0.0006436000000000, -0.0000882600000000, -0.0002852500000000 ] - [ 0.0008575000000000, 0.0000087700000000, -0.0006269700000000 ]- atom: 121 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007307200000000, -0.0041155000000000, 0.0015354400000000 ] - [ 0.0007047000000000, 0.0000120400000000, 0.0006699100000000 ] - [ 0.0003124100000000, -0.0004080500000000, -0.0017788500000000 ] - [ -0.0002576800000000, -0.0005068700000000, -0.0002015500000000 ] - [ -0.0002729000000000, -0.0005024600000000, 0.0001660700000000 ] - [ -0.0005386100000000, -0.0006011800000000, -0.0000262800000000 ] - [ 0.0005672400000000, 0.0025505900000000, 0.0006553600000000 ] - [ -0.0001267200000000, 0.0003591900000000, 0.0002285900000000 ] - [ -0.0002785500000000, 0.0000134900000000, 0.0001424000000000 ] - [ -0.0001064500000000, 0.0000814500000000, 0.0001164700000000 ] - [ -0.0000441000000000, 0.0001167800000000, -0.0002294500000000 ] - [ -0.0003458000000000, 0.0003305800000000, -0.0001663100000000 ] - [ 0.0010576300000000, 0.0012432700000000, -0.0012500400000000 ] - [ -0.0020917100000000, 0.0013155200000000, -0.0008046300000000 ] - [ -0.0019670900000000, -0.0002820800000000, 0.0022940400000000 ] - [ -0.0000976500000000, 0.0001348300000000, 0.0004019000000000 ] - [ -0.0002287400000000, 0.0004681000000000, -0.0002804100000000 ] - [ -0.0002839200000000, 0.0004649300000000, -0.0001316800000000 ] - [ -0.0002205400000000, 0.0003251800000000, 0.0005639700000000 ] - [ 0.0008449900000000, 0.0003548500000000, 0.0006411100000000 ] - [ -0.0005521900000000, 0.0011960500000000, -0.0004087700000000 ] - [ 0.0000014700000000, 0.0002709000000000, 0.0000735100000000 ] - [ -0.0000797100000000, 0.0000139900000000, -0.0001233100000000 ] - [ -0.0001638500000000, 0.0000273600000000, 0.0000139200000000 ] - [ 0.0001602900000000, -0.0002989200000000, 0.0001961400000000 ] - [ 0.0039579800000000, -0.0030615500000000, 0.0042023300000000 ] - [ -0.0009126200000000, -0.0006546300000000, -0.0007057400000000 ] - [ 0.0007480900000000, 0.0000459500000000, -0.0011642900000000 ] - [ 0.0001024300000000, -0.0001070600000000, -0.0002870700000000 ] - [ 0.0001334800000000, -0.0000766800000000, -0.0004756500000000 ] - [ 0.0004647300000000, -0.0002347900000000, -0.0000936000000000 ] - [ -0.0005636800000000, 0.0022234300000000, 0.0001726900000000 ] - [ 0.0003025800000000, -0.0003857700000000, 0.0000847800000000 ] - [ 0.0003410100000000, -0.0006784200000000, 0.0001016500000000 ] - [ 0.0001427600000000, -0.0002355100000000, -0.0001549100000000 ] - [ 0.0003873900000000, -0.0003308800000000, -0.0003988700000000 ] - [ 0.0001716000000000, -0.0000749700000000, -0.0002097600000000 ] - [ 0.0002908300000000, 0.0000160800000000, -0.0021968700000000 ] - [ 0.0021219700000000, -0.0012862700000000, 0.0007741200000000 ] - [ -0.0004882500000000, -0.0010941900000000, 0.0022380400000000 ] - [ -0.0001041900000000, -0.0000388600000000, -0.0002475600000000 ] - [ 0.0002823800000000, -0.0000491000000000, -0.0004559800000000 ] - [ 0.0003318000000000, 0.0004963000000000, 0.0000227200000000 ] - [ -0.0000479700000000, 0.0002118200000000, 0.0009289300000000 ] - [ -0.0000510200000000, 0.0005037200000000, -0.0000659400000000 ] - [ 0.0011117600000000, 0.0015203300000000, -0.0002445900000000 ] - [ 0.0001982100000000, 0.0004013200000000, -0.0003067000000000 ] - [ 0.0003815700000000, 0.0003986400000000, -0.0003564100000000 ] - [ -0.0023758100000000, 0.0066104600000000, -0.0006486200000000 ] - [ 0.0006349100000000, 0.0010854900000000, 0.0012436600000000 ] - [ -0.0000153400000000, 0.0011937900000000, 0.0004392200000000 ] - [ -0.0001848800000000, 0.0011950700000000, 0.0006047500000000 ] - [ 0.0002298900000000, 0.0005659300000000, 0.0005300900000000 ] - [ 0.0002583700000000, 0.0006949800000000, 0.0005301600000000 ] - [ -0.0010532600000000, 0.0032553800000000, 0.0022892600000000 ] - [ -0.0006420700000000, 0.0003076600000000, 0.0011268500000000 ] - [ -0.0000164200000000, 0.0018976800000000, 0.0008630400000000 ] - [ 0.0001888300000000, 0.0010014400000000, 0.0014711900000000 ] - [ 0.0001578000000000, 0.0001878600000000, 0.0003151000000000 ] - [ -0.0001781400000000, 0.0002910800000000, 0.0006503300000000 ] - [ 0.0001084600000000, -0.0013589700000000, -0.0001545400000000 ] - [ -0.0017801000000000, -0.1171977600000000, 0.0538583500000000 ] - [ 0.0009215100000000, -0.0003684700000000, -0.0014553500000000 ] - [ 0.0014469900000000, -0.0008611000000000, -0.0041617400000000 ] - [ -0.0005777400000000, -0.0009858600000000, -0.0018286200000000 ] - [ 0.0004327300000000, 0.0001371500000000, -0.0022897200000000 ] - [ -0.0002820000000000, -0.0021720500000000, -0.0010620100000000 ] - [ 0.0011893100000000, -0.0093993900000000, -0.0039808700000000 ] - [ -0.0003774500000000, -0.0012930200000000, -0.0002922500000000 ] - [ 0.0096875600000000, -0.0210084600000000, -0.0100304600000000 ] - [ -0.0007232500000000, -0.0008512900000000, -0.0010792300000000 ] - [ 0.0005432300000000, -0.0006112600000000, -0.0022367100000000 ] - [ -0.0062412400000000, -0.0101340500000000, -0.0057863800000000 ] - [ 0.0001023600000000, 0.0007216500000000, 0.0000066300000000 ] - [ -0.0001192000000000, 0.0014017200000000, 0.0010799500000000 ] - [ -0.0005492900000000, 0.0007974800000000, 0.0004800300000000 ] - [ -0.0006504800000000, 0.0007066200000000, 0.0009653900000000 ] - [ 0.0002864200000000, 0.0010666700000000, 0.0017873100000000 ] - [ 0.0014361000000000, -0.0015487500000000, -0.0010359800000000 ] - [ -0.0009275000000000, -0.0007618900000000, -0.0010868300000000 ] - [ -0.0002368500000000, -0.0005793800000000, -0.0004837700000000 ] - [ -0.0001223900000000, -0.0002831600000000, -0.0007533800000000 ] - [ -0.0002572700000000, -0.0004182000000000, -0.0007822400000000 ] - [ -0.0003224800000000, -0.0002888600000000, -0.0011499000000000 ] - [ -0.0002202200000000, 0.0007940100000000, -0.0030641000000000 ] - [ -0.0010403000000000, 0.0000380100000000, -0.0007705100000000 ] - [ -0.0018867100000000, -0.0041859800000000, 0.0089646200000000 ] - [ -0.0009095800000000, -0.0008615100000000, 0.0004069900000000 ] - [ -0.0004357400000000, -0.0007950800000000, 0.0007487200000000 ] - [ -0.0003166000000000, -0.0007913600000000, 0.0006941600000000 ] - [ -0.0007018600000000, -0.0010469000000000, -0.0004107300000000 ] - [ 0.0004775100000000, -0.0009463000000000, -0.0008896700000000 ] - [ 0.0003031100000000, -0.0004864100000000, -0.0013221200000000 ] - [ -0.0004796200000000, 0.0000875600000000, -0.0010507200000000 ] - [ -0.0002047100000000, 0.0000394900000000, -0.0006283300000000 ] - [ -0.0000072300000000, -0.0000289700000000, -0.0006153800000000 ] - [ -0.0008174800000000, 0.0002165100000000, 0.0007934400000000 ] - [ 0.0140024400000000, -0.0036761400000000, 0.0057014300000000 ] - [ -0.0004066600000000, 0.0004736200000000, 0.0000986000000000 ] - [ -0.0003216900000000, 0.0006085600000000, 0.0011989000000000 ] - [ 0.0005461200000000, -0.0001286400000000, 0.0011732200000000 ] - [ 0.0001332000000000, -0.0001386800000000, 0.0013725500000000 ] - [ 0.0004587800000000, 0.0007209800000000, -0.0006377800000000 ] - [ -0.0006021000000000, -0.0087902400000000, -0.0015907100000000 ] - [ 0.0009828800000000, 0.0002425600000000, 0.0001986500000000 ] - [ 0.0003019300000000, -0.0000085200000000, 0.0002942800000000 ] - [ 0.0005271600000000, 0.0006524500000000, -0.0002409100000000 ] - [ 0.0004289800000000, 0.0007482500000000, -0.0002627400000000 ] - [ 0.0001568700000000, 0.0004016500000000, 0.0009228600000000 ] - [ 0.0010522100000000, 0.0011837900000000, 0.0009181800000000 ] - [ 0.0017906200000000, 0.0011249200000000, 0.0010339000000000 ] - [ -0.0068949300000000, -0.0000284600000000, 0.0007880700000000 ] - [ 0.0009750900000000, 0.0005474800000000, 0.0015647500000000 ] - [ -0.0000089900000000, 0.0002286000000000, 0.0011663900000000 ] - [ 0.0004951100000000, -0.0008389400000000, -0.0002953300000000 ] - [ -0.0000163200000000, -0.0024796800000000, 0.0000428500000000 ] - [ -0.0003842400000000, -0.0016943300000000, -0.0012458400000000 ] - [ 0.0004266100000000, -0.0015726000000000, -0.0016866600000000 ] - [ 0.0005852700000000, -0.0008226200000000, -0.0002284700000000 ] - [ 0.0004047400000000, -0.0007342700000000, -0.0002021800000000 ] - [ -0.0047750100000000, 0.1550671100000000, -0.0663291500000000 ] - [ -0.0005725600000000, 0.0019281700000000, -0.0017959800000000 ] - [ -0.0013747200000000, 0.0005529700000000, 0.0012999600000000 ] - [ -0.0005980700000000, 0.0010191000000000, -0.0003930900000000 ] - [ -0.0011945400000000, 0.0005437300000000, 0.0007596700000000 ] - [ -0.0001939100000000, 0.0010289900000000, -0.0005241900000000 ] - [ -0.0104441000000000, 0.0102988100000000, 0.0172077000000000 ] - [ 0.0003104900000000, 0.0005164500000000, 0.0005307900000000 ] - [ 0.0009337600000000, 0.0103907700000000, 0.0007582800000000 ] - [ -0.0009493900000000, 0.0005091000000000, 0.0005505800000000 ] - [ -0.0009252600000000, 0.0000996100000000, 0.0008163300000000 ] - [ -0.0006931900000000, 0.0001388300000000, 0.0005291900000000 ] - [ 0.0006524400000000, -0.0003483500000000, -0.0005822100000000 ] - [ 0.0022021300000000, -0.0046795800000000, -0.0025226400000000 ] - [ 0.0008301900000000, -0.0000598500000000, -0.0004856900000000 ] - [ 0.0007399300000000, -0.0001113000000000, -0.0005839500000000 ] - [ 0.0005670300000000, 0.0001892500000000, 0.0002498000000000 ] - [ 0.0002688200000000, 0.0004442300000000, 0.0007487000000000 ] - [ 0.0004349600000000, -0.0011014300000000, 0.0007174800000000 ] - [ 0.0007828700000000, -0.0016627300000000, 0.0003947600000000 ] - [ 0.0005668700000000, -0.0012312600000000, 0.0006564100000000 ] - [ -0.0002654300000000, -0.0027794800000000, 0.0019645500000000 ] - [ 0.0004747900000000, -0.0008942100000000, 0.0006844700000000 ] - [ 0.0002723100000000, -0.0009809200000000, 0.0010062200000000 ]- atom: 121 displacement: [ -0.0040808756811180, 0.0000000000000000, 0.0091294278941925 ] forces: - [ -0.0027526600000000, -0.0015367700000000, 0.0062646900000000 ] - [ 0.0022732000000000, 0.0009867800000000, 0.0014111500000000 ] - [ 0.0005796300000000, -0.0003040800000000, -0.0031674300000000 ] - [ -0.0002702400000000, -0.0005649400000000, -0.0002516300000000 ] - [ 0.0003558200000000, -0.0005720500000000, -0.0010220000000000 ] - [ -0.0011939500000000, -0.0008368500000000, -0.0002936900000000 ] - [ 0.0005625100000000, 0.0019911900000000, 0.0006020000000000 ] - [ -0.0000908400000000, 0.0002793000000000, 0.0003856400000000 ] - [ -0.0004284400000000, -0.0001493200000000, 0.0000677000000000 ] - [ -0.0001016800000000, 0.0000873300000000, 0.0000898200000000 ] - [ 0.0000193700000000, 0.0000269600000000, -0.0003195100000000 ] - [ -0.0003819800000000, 0.0002047700000000, -0.0002826500000000 ] - [ 0.0011924000000000, 0.0016431200000000, -0.0009171200000000 ] - [ -0.0018305500000000, 0.0011754900000000, -0.0007936600000000 ] - [ -0.0028175800000000, -0.0015479600000000, 0.0024738600000000 ] - [ 0.0002812100000000, -0.0000203100000000, 0.0005794600000000 ] - [ -0.0000557000000000, 0.0004914800000000, -0.0007783000000000 ] - [ -0.0004231000000000, 0.0005271100000000, -0.0002573800000000 ] - [ 0.0002399700000000, -0.0006301500000000, 0.0007547000000000 ] - [ -0.0000924500000000, 0.0003176600000000, 0.0003067200000000 ] - [ -0.0011071200000000, 0.0029078700000000, -0.0002322900000000 ] - [ 0.0002170000000000, 0.0003270000000000, 0.0002762600000000 ] - [ -0.0000306300000000, -0.0000030500000000, -0.0005229900000000 ] - [ -0.0002810700000000, -0.0000700300000000, -0.0002361000000000 ] - [ 0.0012789400000000, 0.0000527400000000, 0.0004815100000000 ] - [ -0.0049150100000000, -0.0033275600000000, 0.0038440300000000 ] - [ -0.0022457900000000, -0.0012490600000000, -0.0010981500000000 ] - [ 0.0016692400000000, 0.0002405300000000, -0.0023152200000000 ] - [ 0.0000948700000000, -0.0000857400000000, -0.0005390900000000 ] - [ 0.0003351500000000, -0.0001289800000000, -0.0014789000000000 ] - [ 0.0005820100000000, -0.0002965400000000, 0.0000283500000000 ] - [ -0.0005328100000000, 0.0019646000000000, 0.0002918700000000 ] - [ 0.0002782600000000, -0.0004816200000000, 0.0001126300000000 ] - [ 0.0004963300000000, -0.0010673900000000, 0.0001118200000000 ] - [ 0.0001461000000000, -0.0002710500000000, -0.0002736400000000 ] - [ 0.0003454000000000, -0.0002204000000000, -0.0005250600000000 ] - [ 0.0002858900000000, -0.0000334600000000, -0.0002446900000000 ] - [ -0.0002705700000000, 0.0008105900000000, -0.0017866500000000 ] - [ 0.0021737800000000, -0.0010001100000000, 0.0010635800000000 ] - [ 0.0001980600000000, -0.0025928400000000, 0.0026015200000000 ] - [ -0.0003879000000000, 0.0000208400000000, -0.0005129500000000 ] - [ 0.0004815400000000, -0.0000537300000000, -0.0009771800000000 ] - [ 0.0005099500000000, 0.0004996400000000, -0.0000156600000000 ] - [ -0.0003072000000000, -0.0006668900000000, 0.0000680400000000 ] - [ 0.0002252900000000, 0.0004444400000000, 0.0004198400000000 ] - [ 0.0010854500000000, 0.0032836100000000, 0.0008291700000000 ] - [ 0.0000611700000000, 0.0003556700000000, -0.0005498400000000 ] - [ 0.0005406800000000, 0.0003910500000000, -0.0007663600000000 ] - [ 0.0004471900000000, 0.0032524700000000, 0.0035371700000000 ] - [ 0.0012287400000000, 0.0006203100000000, 0.0018079500000000 ] - [ -0.0000987900000000, 0.0018455000000000, -0.0001749400000000 ] - [ -0.0003247300000000, 0.0016219300000000, 0.0002663400000000 ] - [ 0.0001737100000000, -0.0006879900000000, -0.0002613400000000 ] - [ -0.0003146200000000, 0.0005867700000000, 0.0002093000000000 ] - [ -0.0000543200000000, 0.0019096600000000, 0.0016254200000000 ] - [ -0.0008083000000000, 0.0001315700000000, 0.0012429100000000 ] - [ -0.0005851000000000, 0.0008682200000000, 0.0015884300000000 ] - [ 0.0003930900000000, 0.0008553500000000, 0.0020390300000000 ] - [ 0.0004088000000000, 0.0002868100000000, -0.0006530000000000 ] - [ -0.0002741000000000, 0.0002184900000000, 0.0000458600000000 ] - [ 0.0011278100000000, -0.0013028200000000, 0.0005699300000000 ] - [ -0.0076270000000000, -0.0328935400000000, 0.0370992500000000 ] - [ 0.0003998400000000, -0.0000830400000000, -0.0009470600000000 ] - [ 0.0049765900000000, -0.0018050400000000, -0.0104140100000000 ] - [ -0.0007983500000000, -0.0004721500000000, -0.0022686300000000 ] - [ 0.0010439600000000, 0.0014809200000000, -0.0038099500000000 ] - [ 0.0001539300000000, -0.0022065000000000, -0.0010091700000000 ] - [ 0.0031577800000000, -0.0043725700000000, -0.0096802600000000 ] - [ 0.0019671300000000, -0.0009983800000000, -0.0002269300000000 ] - [ -0.0689712900000000, -0.0180055200000000, 0.1226514100000000 ] - [ -0.0015348400000000, -0.0005631400000000, -0.0015245400000000 ] - [ 0.0013715900000000, -0.0005971800000000, -0.0041432100000000 ] - [ -0.0065331100000000, -0.0072175600000000, -0.0103912100000000 ] - [ -0.0004492400000000, 0.0008067900000000, -0.0005076800000000 ] - [ 0.0005290800000000, 0.0026145000000000, 0.0021571000000000 ] - [ -0.0005872700000000, 0.0008768100000000, 0.0006000000000000 ] - [ -0.0008467900000000, 0.0004515300000000, 0.0009872900000000 ] - [ 0.0002362300000000, 0.0009822800000000, 0.0015265700000000 ] - [ 0.0001412800000000, -0.0012663100000000, -0.0025302600000000 ] - [ -0.0013017000000000, -0.0011861600000000, -0.0014723000000000 ] - [ -0.0002172000000000, -0.0007667800000000, -0.0001138100000000 ] - [ 0.0000092100000000, -0.0002763700000000, -0.0005739400000000 ] - [ -0.0006599400000000, 0.0002036900000000, -0.0002362800000000 ] - [ 0.0002837300000000, -0.0000373600000000, -0.0007654400000000 ] - [ -0.0036733900000000, 0.0026325900000000, 0.0023646900000000 ] - [ -0.0008094800000000, 0.0000625900000000, -0.0015936400000000 ] - [ 0.0066207500000000, -0.0142946800000000, 0.0108805400000000 ] - [ -0.0019783600000000, -0.0004793700000000, -0.0000753700000000 ] - [ -0.0003910400000000, -0.0010145400000000, 0.0013393600000000 ] - [ 0.0001113300000000, -0.0010644100000000, 0.0014880800000000 ] - [ -0.0008554300000000, -0.0005724200000000, -0.0007409400000000 ] - [ 0.0007458200000000, -0.0007144500000000, -0.0008938700000000 ] - [ 0.0005989200000000, -0.0003557900000000, -0.0017482000000000 ] - [ -0.0007744100000000, 0.0002161100000000, -0.0011766200000000 ] - [ -0.0002894900000000, 0.0001110100000000, -0.0002759700000000 ] - [ 0.0001324600000000, -0.0000159800000000, -0.0004361200000000 ] - [ -0.0014624500000000, 0.0000944200000000, 0.0005874000000000 ] - [ 0.0145932200000000, -0.0024432000000000, 0.0001566400000000 ] - [ 0.0003810000000000, 0.0004952600000000, 0.0000487600000000 ] - [ -0.0016674700000000, 0.0013056400000000, 0.0013574500000000 ] - [ 0.0006260100000000, -0.0001837400000000, 0.0014448700000000 ] - [ 0.0001525200000000, -0.0003715000000000, 0.0017803100000000 ] - [ -0.0001886200000000, 0.0011144500000000, -0.0011059100000000 ] - [ 0.0012613900000000, 0.0011054600000000, -0.0024706400000000 ] - [ 0.0017989300000000, -0.0002948800000000, 0.0005450800000000 ] - [ 0.0000549700000000, -0.0009596100000000, 0.0010050000000000 ] - [ 0.0006556100000000, 0.0004490100000000, 0.0000309900000000 ] - [ 0.0004043400000000, 0.0011366500000000, 0.0004194300000000 ] - [ -0.0004616900000000, 0.0002114600000000, 0.0010493000000000 ] - [ 0.0015307000000000, 0.0013824500000000, 0.0041409700000000 ] - [ -0.0013462000000000, 0.0007099800000000, -0.0008704300000000 ] - [ -0.0177711900000000, -0.0027647100000000, -0.0058550400000000 ] - [ 0.0016977900000000, 0.0006865400000000, 0.0021196000000000 ] - [ -0.0003136200000000, 0.0001219900000000, 0.0015216400000000 ] - [ 0.0004644100000000, -0.0007376600000000, -0.0002450800000000 ] - [ 0.0003417700000000, -0.0020708600000000, 0.0000300400000000 ] - [ -0.0006715000000000, -0.0017898200000000, -0.0015418600000000 ] - [ 0.0005516800000000, -0.0008540900000000, -0.0018882200000000 ] - [ 0.0007860300000000, -0.0006399300000000, -0.0000142000000000 ] - [ 0.0003577300000000, -0.0005593400000000, 0.0001560300000000 ] - [ 0.0904710300000000, 0.0609460900000000, -0.1768973500000000 ] - [ -0.0017845400000000, 0.0019741300000000, -0.0012777700000000 ] - [ -0.0022159700000000, -0.0006649500000000, 0.0033529400000000 ] - [ -0.0006040200000000, 0.0009327000000000, -0.0003349000000000 ] - [ -0.0021471600000000, -0.0011982300000000, 0.0033515200000000 ] - [ 0.0000003200000000, 0.0006706700000000, -0.0000924900000000 ] - [ -0.0065814500000000, -0.0001153200000000, 0.0125837300000000 ] - [ 0.0003224000000000, 0.0003607800000000, 0.0003007700000000 ] - [ -0.0044227000000000, 0.0197531900000000, 0.0136512500000000 ] - [ -0.0010254200000000, -0.0002066400000000, -0.0003413400000000 ] - [ -0.0014683800000000, 0.0005895500000000, 0.0020156700000000 ] - [ -0.0005827100000000, 0.0002182300000000, 0.0007286800000000 ] - [ 0.0005562100000000, -0.0002338300000000, -0.0007058200000000 ] - [ 0.0012719800000000, -0.0026573600000000, -0.0014094400000000 ] - [ 0.0009872500000000, -0.0002557900000000, -0.0008326200000000 ] - [ 0.0008572900000000, -0.0002952700000000, -0.0010622500000000 ] - [ 0.0004769700000000, 0.0005592500000000, 0.0007470700000000 ] - [ 0.0000415300000000, 0.0011370000000000, 0.0015861200000000 ] - [ 0.0004218700000000, -0.0010057700000000, 0.0006766700000000 ] - [ 0.0006412100000000, -0.0006173500000000, 0.0006754600000000 ] - [ 0.0005375000000000, -0.0009424200000000, 0.0001900300000000 ] - [ 0.0006581600000000, -0.0024449500000000, -0.0006303500000000 ] - [ 0.0004088400000000, -0.0009948900000000, 0.0011088200000000 ] - [ -0.0000882400000000, -0.0013575100000000, 0.0019252500000000 ]- atom: 121 displacement: [ 0.0040808756811180, 0.0000000000000000, -0.0091294278941925 ] forces: - [ 0.0022206300000000, 0.0005687600000000, -0.0060217700000000 ] - [ -0.0028263300000000, -0.0017912300000000, -0.0011958800000000 ] - [ -0.0011467100000000, -0.0005076800000000, 0.0031238300000000 ] - [ -0.0002916600000000, -0.0002700700000000, 0.0002386000000000 ] - [ -0.0009389500000000, -0.0002645000000000, 0.0011417100000000 ] - [ 0.0005911400000000, 0.0000160400000000, 0.0004169800000000 ] - [ -0.0007768000000000, -0.0019764800000000, -0.0003572700000000 ] - [ -0.0001281500000000, -0.0002756000000000, -0.0001490200000000 ] - [ 0.0001605800000000, 0.0001693700000000, 0.0001595900000000 ] - [ -0.0001560000000000, -0.0000658800000000, 0.0001372800000000 ] - [ -0.0002687200000000, -0.0000233800000000, 0.0004184400000000 ] - [ 0.0001238900000000, -0.0001959600000000, 0.0003828100000000 ] - [ -0.0017638100000000, -0.0008266000000000, 0.0008932800000000 ] - [ 0.0012364000000000, -0.0003434700000000, 0.0007768700000000 ] - [ 0.0021954800000000, 0.0023483900000000, -0.0023184600000000 ] - [ -0.0008730300000000, 0.0008291200000000, -0.0004492400000000 ] - [ -0.0005312300000000, 0.0003346000000000, 0.0009710500000000 ] - [ -0.0001666800000000, 0.0002943900000000, 0.0004534900000000 ] - [ -0.0004986700000000, 0.0006094200000000, -0.0005256100000000 ] - [ -0.0001755800000000, -0.0003357200000000, -0.0000778500000000 ] - [ 0.0008446100000000, -0.0028748300000000, 0.0003356600000000 ] - [ -0.0004677400000000, -0.0003313400000000, -0.0001688000000000 ] - [ -0.0001866700000000, -0.0000008700000000, 0.0007499900000000 ] - [ 0.0000579300000000, 0.0000682700000000, 0.0004654900000000 ] - [ -0.0010461500000000, -0.0000481800000000, -0.0007136800000000 ] - [ 0.0050195500000000, 0.0032928800000000, -0.0041273800000000 ] - [ 0.0024708900000000, 0.0012328300000000, 0.0009895200000000 ] - [ -0.0013968400000000, -0.0002299800000000, 0.0021920100000000 ] - [ 0.0001665900000000, 0.0001046600000000, 0.0003042500000000 ] - [ -0.0000727100000000, 0.0001512900000000, 0.0012421100000000 ] - [ 0.0000115300000000, -0.0005238900000000, -0.0002253300000000 ] - [ 0.0011144200000000, -0.0027678200000000, -0.0004828000000000 ] - [ 0.0003096900000000, -0.0003440300000000, -0.0002409000000000 ] - [ 0.0001052400000000, 0.0002483400000000, -0.0002357600000000 ] - [ 0.0004264200000000, -0.0005431000000000, 0.0002851000000000 ] - [ 0.0002362800000000, -0.0006028300000000, 0.0005303200000000 ] - [ -0.0000343300000000, 0.0000272100000000, 0.0001366600000000 ] - [ 0.0005331300000000, -0.0008181800000000, 0.0016651500000000 ] - [ -0.0018900600000000, 0.0009832900000000, -0.0012833100000000 ] - [ 0.0000650100000000, 0.0025456400000000, -0.0027988000000000 ] - [ 0.0006028600000000, -0.0000279900000000, 0.0002761000000000 ] - [ -0.0002551000000000, 0.0000513700000000, 0.0007390600000000 ] - [ 0.0000776600000000, 0.0003313800000000, -0.0001105900000000 ] - [ 0.0009106700000000, 0.0014777100000000, -0.0002034800000000 ] - [ 0.0003533300000000, 0.0003617700000000, -0.0003953300000000 ] - [ -0.0005149900000000, -0.0024201700000000, -0.0008040100000000 ] - [ 0.0005260300000000, 0.0004644800000000, 0.0003462800000000 ] - [ 0.0000376100000000, 0.0004405200000000, 0.0005591500000000 ] - [ -0.0004243100000000, -0.0027594400000000, -0.0016174700000000 ] - [ -0.0012374600000000, -0.0001357400000000, 0.0000860500000000 ] - [ 0.0000929800000000, -0.0013637900000000, 0.0020406600000000 ] - [ 0.0003061400000000, -0.0011283500000000, 0.0016214500000000 ] - [ -0.0002024900000000, 0.0011775400000000, 0.0021440700000000 ] - [ 0.0002840000000000, -0.0000902300000000, 0.0016664300000000 ] - [ 0.0000402200000000, -0.0023551900000000, 0.0002558200000000 ] - [ 0.0007803200000000, -0.0006203700000000, 0.0006544700000000 ] - [ 0.0005473800000000, -0.0013765200000000, 0.0003335100000000 ] - [ -0.0004161300000000, -0.0013235800000000, -0.0001436600000000 ] - [ -0.0004120200000000, -0.0007757800000000, 0.0025126800000000 ] - [ 0.0002651600000000, -0.0006965800000000, 0.0018101600000000 ] - [ -0.0011112400000000, 0.0017863500000000, -0.0024206600000000 ] - [ 0.0077263000000000, 0.0350771300000000, -0.0397858200000000 ] - [ -0.0003659300000000, 0.0005885700000000, -0.0009470700000000 ] - [ -0.0048646000000000, 0.0022649300000000, 0.0083705600000000 ] - [ 0.0008064900000000, 0.0009337600000000, 0.0003667900000000 ] - [ -0.0010310800000000, -0.0009768600000000, 0.0019015700000000 ] - [ -0.0001217800000000, 0.0016958800000000, -0.0008926500000000 ] - [ -0.0031570900000000, 0.0039034500000000, 0.0078136000000000 ] - [ -0.0019059900000000, 0.0005347200000000, -0.0016521900000000 ] - [ 0.0643095600000000, 0.0167012200000000, -0.1173917300000000 ] - [ 0.0015217700000000, 0.0000666600000000, -0.0003349900000000 ] - [ -0.0013431400000000, 0.0000989600000000, 0.0022296500000000 ] - [ 0.0056255700000000, 0.0086514900000000, 0.0112431100000000 ] - [ -0.0004749100000000, 0.0006989600000000, 0.0013031200000000 ] - [ -0.0014394000000000, -0.0010845100000000, -0.0013121100000000 ] - [ -0.0003366500000000, 0.0006281000000000, 0.0002218600000000 ] - [ -0.0000773400000000, 0.0010441900000000, -0.0001818500000000 ] - [ -0.0011462000000000, 0.0005213000000000, -0.0007050400000000 ] - [ -0.0004985800000000, 0.0009058600000000, 0.0007379200000000 ] - [ 0.0009582200000000, 0.0008261700000000, -0.0003053900000000 ] - [ -0.0001400200000000, 0.0004048100000000, -0.0016529900000000 ] - [ -0.0003430300000000, -0.0000742200000000, -0.0011941000000000 ] - [ 0.0003078300000000, -0.0005579600000000, -0.0015351200000000 ] - [ -0.0006146700000000, -0.0003134300000000, -0.0010038700000000 ] - [ 0.0027569400000000, -0.0041493100000000, -0.0015325000000000 ] - [ -0.0001083200000000, -0.0015663200000000, 0.0024037700000000 ] - [ -0.0073598100000000, 0.0125295800000000, -0.0099416600000000 ] - [ 0.0010388500000000, -0.0010131900000000, 0.0008673300000000 ] - [ -0.0005317500000000, -0.0004896400000000, -0.0005304400000000 ] - [ -0.0010278100000000, -0.0004456700000000, -0.0006726400000000 ] - [ 0.0004864300000000, 0.0009201000000000, -0.0010281100000000 ] - [ -0.0010907900000000, 0.0010625500000000, -0.0008816300000000 ] - [ -0.0009263100000000, 0.0007063800000000, -0.0000360100000000 ] - [ 0.0004309800000000, 0.0001386100000000, -0.0006019800000000 ] - [ -0.0000478200000000, 0.0002402600000000, -0.0014889300000000 ] - [ -0.0004810400000000, 0.0003690400000000, -0.0013324900000000 ] - [ 0.0017898200000000, -0.0004417500000000, 0.0011803500000000 ] - [ -0.0142390400000000, 0.0019855600000000, 0.0016783200000000 ] - [ -0.0000467500000000, -0.0008438700000000, 0.0017150700000000 ] - [ 0.0019801400000000, -0.0016445600000000, 0.0004212000000000 ] - [ -0.0002678300000000, -0.0001710400000000, 0.0003350500000000 ] - [ 0.0002016700000000, 0.0000169900000000, -0.0000009300000000 ] - [ 0.0011007100000000, 0.0003950900000000, 0.0002941000000000 ] - [ -0.0003268300000000, 0.0004639100000000, 0.0016617000000000 ] - [ -0.0008680500000000, 0.0017953700000000, -0.0013468500000000 ] - [ 0.0008659600000000, 0.0024445200000000, -0.0017946100000000 ] - [ 0.0002708600000000, 0.0010524800000000, -0.0008472100000000 ] - [ 0.0005230800000000, 0.0003576700000000, -0.0012246300000000 ] - [ 0.0007929000000000, 0.0001409700000000, 0.0007273300000000 ] - [ -0.0011956300000000, -0.0010284800000000, -0.0023653700000000 ] - [ 0.0016245100000000, -0.0003493000000000, 0.0026190100000000 ] - [ 0.0178340300000000, 0.0030532700000000, 0.0074683300000000 ] - [ -0.0013480300000000, -0.0003307700000000, -0.0003408300000000 ] - [ 0.0006500400000000, 0.0002294900000000, 0.0002547500000000 ] - [ 0.0004643500000000, -0.0007519100000000, -0.0005478900000000 ] - [ 0.0005781500000000, 0.0005611600000000, -0.0008143200000000 ] - [ 0.0015882200000000, 0.0002781600000000, 0.0007121900000000 ] - [ 0.0003715700000000, -0.0006446700000000, 0.0010534500000000 ] - [ 0.0001459000000000, -0.0008530100000000, -0.0007784100000000 ] - [ 0.0005641000000000, -0.0009445300000000, -0.0009555800000000 ] - [ -0.0868116500000000, -0.0607140700000000, 0.1699222200000000 ] - [ 0.0006324800000000, -0.0010011300000000, 0.0008975000000000 ] - [ 0.0010662900000000, 0.0016221600000000, -0.0036828800000000 ] - [ -0.0005166200000000, 0.0000496700000000, -0.0000575600000000 ] - [ 0.0010261200000000, 0.0021719300000000, -0.0037556700000000 ] - [ -0.0011049800000000, 0.0003233400000000, -0.0003405000000000 ] - [ 0.0054176900000000, -0.0007413100000000, -0.0129754200000000 ] - [ -0.0014507300000000, -0.0013345900000000, -0.0006741600000000 ] - [ 0.0032737600000000, -0.0203409100000000, -0.0138551100000000 ] - [ -0.0000900500000000, -0.0008007300000000, -0.0000982000000000 ] - [ 0.0003243500000000, -0.0015723300000000, -0.0023760300000000 ] - [ -0.0005564500000000, -0.0011873400000000, -0.0010918500000000 ] - [ 0.0005849400000000, 0.0012055700000000, 0.0010611700000000 ] - [ -0.0001350700000000, 0.0036348700000000, 0.0017868900000000 ] - [ 0.0001211100000000, 0.0012183200000000, 0.0012525000000000 ] - [ 0.0002547600000000, 0.0012779700000000, 0.0014771900000000 ] - [ 0.0006510200000000, 0.0004053900000000, -0.0003708700000000 ] - [ 0.0010742900000000, -0.0001504800000000, -0.0011816000000000 ] - [ 0.0006902900000000, 0.0000032900000000, -0.0002431600000000 ] - [ 0.0004712100000000, -0.0003787600000000, -0.0002483300000000 ] - [ 0.0005817700000000, -0.0000174100000000, 0.0001883400000000 ] - [ 0.0004755800000000, 0.0014639900000000, 0.0009801500000000 ] - [ 0.0007097900000000, -0.0000026700000000, -0.0006942400000000 ] - [ 0.0012181700000000, 0.0003726200000000, -0.0015315900000000 ]