# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/228bb08f-2a92-42fe-9a78-cec645b0ff29/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 P / P2/c (13) / materials id 568348](https://mdr.nims.go.jp/datasets/336af6ac-7434-4f54-a54e-8510662f1289) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P2/c" number: 13 Hall_symbol: "-P 2yc"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 9.170073410000001, 0.000000000000000, -0.051898890000000 ] # a - [ 0.000000000000000, 9.100478460000000, 0.000000000000000 ] # b - [ -6.003479600000000, 0.000000000000000, 21.382895749999999 ] # c points: - symbol: P # 1 coordinates: [ 0.042074030000000, 0.612122070000000, 0.069945900000000 ] mass: 30.973762 - symbol: P # 2 coordinates: [ 0.252421360000000, 0.602245030000000, 0.040759140000000 ] mass: 30.973762 - symbol: P # 3 coordinates: [ 0.302739820000000, 0.196842500000000, 0.680718130000000 ] mass: 30.973762 - symbol: P # 4 coordinates: [ 0.000556990000000, 0.844907720000000, 0.457779140000000 ] mass: 30.973762 - symbol: P # 5 coordinates: [ 0.484031380000000, 0.363298900000000, 0.470457000000000 ] mass: 30.973762 - symbol: P # 6 coordinates: [ 0.788108310000000, 0.864691770000000, 0.071445870000000 ] mass: 30.973762 - symbol: P # 7 coordinates: [ 0.071950980000000, 0.223275260000000, 0.385456280000000 ] mass: 30.973762 - symbol: P # 8 coordinates: [ 0.799185270000000, 0.670575790000000, 0.672402140000000 ] mass: 30.973762 - symbol: P # 9 coordinates: [ 0.851824400000000, 0.613406320000000, 0.328468500000000 ] mass: 30.973762 - symbol: P # 10 coordinates: [ 0.140530940000000, 0.902849410000000, 0.326634430000000 ] mass: 30.973762 - symbol: P # 11 coordinates: [ 0.690350550000000, 0.370290610000000, 0.437678800000000 ] mass: 30.973762 - symbol: P # 12 coordinates: [ 0.824987880000000, 0.028264650000000, 0.884401610000000 ] mass: 30.973762 - symbol: P # 13 coordinates: [ 0.050954060000000, 0.056029790000000, 0.180420490000000 ] mass: 30.973762 - symbol: P # 14 coordinates: [ 0.697260180000000, 0.196842500000000, 0.819281870000000 ] mass: 30.973762 - symbol: P # 15 coordinates: [ 0.571512710000000, 0.560267230000000, 0.170418470000000 ] mass: 30.973762 - symbol: P # 16 coordinates: [ 0.054309620000000, 0.679050580000000, 0.300240410000000 ] mass: 30.973762 - symbol: P # 17 coordinates: [ 0.211891690000000, 0.864691770000000, 0.428554130000000 ] mass: 30.973762 - symbol: P # 18 coordinates: [ 0.859469060000000, 0.097150590000000, 0.673365570000000 ] mass: 30.973762 - symbol: P # 19 coordinates: [ 0.515968620000000, 0.363298900000000, 0.029543000000000 ] mass: 30.973762 - symbol: P # 20 coordinates: [ 0.484031380000000, 0.636701100000000, 0.970457000000000 ] mass: 30.973762 - symbol: P # 21 coordinates: [ 0.175012120000000, 0.971735350000000, 0.115598390000000 ] mass: 30.973762 - symbol: P # 22 coordinates: [ 0.537726060000000, 0.135291710000000, 0.064980040000000 ] mass: 30.973762 - symbol: P # 23 coordinates: [ 0.175012120000000, 0.028264650000000, 0.615598390000000 ] mass: 30.973762 - symbol: P # 24 coordinates: [ 0.308186160000000, 0.494633840000000, 0.398682400000000 ] mass: 30.973762 - symbol: P # 25 coordinates: [ 0.050954060000000, 0.943970210000000, 0.680420490000000 ] mass: 30.973762 - symbol: P # 26 coordinates: [ 0.426551740000000, 0.269667840000000, 0.614153520000000 ] mass: 30.973762 - symbol: P # 27 coordinates: [ 0.949045940000000, 0.943970210000000, 0.819579510000000 ] mass: 30.973762 - symbol: P # 28 coordinates: [ 0.571512710000000, 0.439732770000000, 0.670418470000000 ] mass: 30.973762 - symbol: P # 29 coordinates: [ 0.957925970000000, 0.387877930000000, 0.930054100000000 ] mass: 30.973762 - symbol: P # 30 coordinates: [ 0.851824400000000, 0.386593680000000, 0.828468500000000 ] mass: 30.973762 - symbol: P # 31 coordinates: [ 0.747578640000000, 0.602245030000000, 0.459240860000000 ] mass: 30.973762 - symbol: P # 32 coordinates: [ 0.537726060000000, 0.864708290000000, 0.564980040000000 ] mass: 30.973762 - symbol: P # 33 coordinates: [ 0.428487290000000, 0.439732770000000, 0.829581530000000 ] mass: 30.973762 - symbol: P # 34 coordinates: [ 0.426551740000000, 0.730332160000000, 0.114153520000000 ] mass: 30.973762 - symbol: P # 35 coordinates: [ 0.824987880000000, 0.971735350000000, 0.384401610000000 ] mass: 30.973762 - symbol: P # 36 coordinates: [ 0.577493340000000, 0.363466430000000, 0.334429540000000 ] mass: 30.973762 - symbol: P # 37 coordinates: [ 0.422506660000000, 0.636533570000000, 0.665570460000000 ] mass: 30.973762 - symbol: P # 38 coordinates: [ 0.462273940000000, 0.135291710000000, 0.435019960000000 ] mass: 30.973762 - symbol: P # 39 coordinates: [ 0.462273940000000, 0.864708290000000, 0.935019960000000 ] mass: 30.973762 - symbol: P # 40 coordinates: [ 0.599310710000000, 0.183788940000000, 0.167425270000000 ] mass: 30.973762 - symbol: P # 41 coordinates: [ 0.042074030000000, 0.387877930000000, 0.569945900000000 ] mass: 30.973762 - symbol: P # 42 coordinates: [ 0.999443010000000, 0.844907720000000, 0.042220860000000 ] mass: 30.973762 - symbol: P # 43 coordinates: [ 0.945690380000000, 0.320949420000000, 0.699759590000000 ] mass: 30.973762 - symbol: P # 44 coordinates: [ 0.599310710000000, 0.816211060000000, 0.667425270000000 ] mass: 30.973762 - symbol: P # 45 coordinates: [ 0.000556990000000, 0.155092280000000, 0.957779140000000 ] mass: 30.973762 - symbol: P # 46 coordinates: [ 0.577493340000000, 0.636533570000000, 0.834429540000000 ] mass: 30.973762 - symbol: P # 47 coordinates: [ 0.309649450000000, 0.370290610000000, 0.062321200000000 ] mass: 30.973762 - symbol: P # 48 coordinates: [ 0.252421360000000, 0.397754970000000, 0.540759140000000 ] mass: 30.973762 - symbol: P # 49 coordinates: [ 0.200814730000000, 0.670575790000000, 0.827597860000000 ] mass: 30.973762 - symbol: P # 50 coordinates: [ 0.747578640000000, 0.397754970000000, 0.959240860000000 ] mass: 30.973762 - symbol: P # 51 coordinates: [ 0.928049020000000, 0.223275260000000, 0.114543720000000 ] mass: 30.973762 - symbol: P # 52 coordinates: [ 0.928049020000000, 0.776724740000000, 0.614543720000000 ] mass: 30.973762 - symbol: P # 53 coordinates: [ 0.302739820000000, 0.803157500000000, 0.180718130000000 ] mass: 30.973762 - symbol: P # 54 coordinates: [ 0.200814730000000, 0.329424210000000, 0.327597860000000 ] mass: 30.973762 - symbol: P # 55 coordinates: [ 0.515968620000000, 0.636701100000000, 0.529543000000000 ] mass: 30.973762 - symbol: P # 56 coordinates: [ 0.945690380000000, 0.679050580000000, 0.199759590000000 ] mass: 30.973762 - symbol: P # 57 coordinates: [ 0.691813840000000, 0.494633840000000, 0.101317600000000 ] mass: 30.973762 - symbol: P # 58 coordinates: [ 0.071950980000000, 0.776724740000000, 0.885456280000000 ] mass: 30.973762 - symbol: P # 59 coordinates: [ 0.422506660000000, 0.363466430000000, 0.165570460000000 ] mass: 30.973762 - symbol: P # 60 coordinates: [ 0.573448260000000, 0.269667840000000, 0.885846480000000 ] mass: 30.973762 - symbol: P # 61 coordinates: [ 0.140530940000000, 0.097150590000000, 0.826634430000000 ] mass: 30.973762 - symbol: P # 62 coordinates: [ 0.573448260000000, 0.730332160000000, 0.385846480000000 ] mass: 30.973762 - symbol: P # 63 coordinates: [ 0.428487290000000, 0.560267230000000, 0.329581530000000 ] mass: 30.973762 - symbol: P # 64 coordinates: [ 0.751536560000000, 0.904939330000000, 0.541821860000000 ] mass: 30.973762 - symbol: P # 65 coordinates: [ 0.690350550000000, 0.629709390000000, 0.937678800000000 ] mass: 30.973762 - symbol: P # 66 coordinates: [ 0.054309620000000, 0.320949420000000, 0.800240410000000 ] mass: 30.973762 - symbol: P # 67 coordinates: [ 0.799185270000000, 0.329424210000000, 0.172402140000000 ] mass: 30.973762 - symbol: P # 68 coordinates: [ 0.148175600000000, 0.613406320000000, 0.171531500000000 ] mass: 30.973762 - symbol: P # 69 coordinates: [ 0.751536560000000, 0.095060670000000, 0.041821860000000 ] mass: 30.973762 - symbol: P # 70 coordinates: [ 0.309649450000000, 0.629709390000000, 0.562321200000000 ] mass: 30.973762 - symbol: P # 71 coordinates: [ 0.859469060000000, 0.902849410000000, 0.173365570000000 ] mass: 30.973762 - symbol: P # 72 coordinates: [ 0.400689290000000, 0.183788940000000, 0.332574730000000 ] mass: 30.973762 - symbol: P # 73 coordinates: [ 0.211891690000000, 0.135308230000000, 0.928554130000000 ] mass: 30.973762 - symbol: P # 74 coordinates: [ 0.308186160000000, 0.505366160000000, 0.898682400000000 ] mass: 30.973762 - symbol: P # 75 coordinates: [ 0.691813840000000, 0.505366160000000, 0.601317600000000 ] mass: 30.973762 - symbol: P # 76 coordinates: [ 0.248463440000000, 0.095060670000000, 0.458178140000000 ] mass: 30.973762 - symbol: P # 77 coordinates: [ 0.788108310000000, 0.135308230000000, 0.571445870000000 ] mass: 30.973762 - symbol: P # 78 coordinates: [ 0.400689290000000, 0.816211060000000, 0.832574730000000 ] mass: 30.973762 - symbol: P # 79 coordinates: [ 0.999443010000000, 0.155092280000000, 0.542220860000000 ] mass: 30.973762 - symbol: P # 80 coordinates: [ 0.248463440000000, 0.904939330000000, 0.958178140000000 ] mass: 30.973762 - symbol: P # 81 coordinates: [ 0.148175600000000, 0.386593680000000, 0.671531500000000 ] mass: 30.973762 - symbol: P # 82 coordinates: [ 0.949045940000000, 0.056029790000000, 0.319579510000000 ] mass: 30.973762 - symbol: P # 83 coordinates: [ 0.697260180000000, 0.803157500000000, 0.319281870000000 ] mass: 30.973762 - symbol: P # 84 coordinates: [ 0.957925970000000, 0.612122070000000, 0.430054100000000 ] mass: 30.973762 reciprocal_lattice: # without 2pi - [ 0.109223937080741, 0.000000000000000, 0.030665803442263 ] # a* - [ 0.000000000000000, 0.109884332389266, 0.000000000000000 ] # b* - [ 0.000265099786399, 0.000000000000000, 0.046840780260532 ] # c*unit_cell: lattice: - [ 9.170073410000001, 0.000000000000000, -0.051898890000000 ] # a - [ 0.000000000000000, 9.100478460000000, 0.000000000000000 ] # b - [ -6.003479600000000, 0.000000000000000, 21.382895749999999 ] # c points: - symbol: P # 1 coordinates: [ 0.042074030000000, 0.612122070000000, 0.069945900000000 ] mass: 30.973762 reduced_to: 1 - symbol: P # 2 coordinates: [ 0.252421360000000, 0.602245030000000, 0.040759140000000 ] mass: 30.973762 reduced_to: 2 - symbol: P # 3 coordinates: [ 0.302739820000000, 0.196842500000000, 0.680718130000000 ] mass: 30.973762 reduced_to: 3 - symbol: P # 4 coordinates: [ 0.000556990000000, 0.844907720000000, 0.457779140000000 ] mass: 30.973762 reduced_to: 4 - symbol: P # 5 coordinates: [ 0.484031380000000, 0.363298900000000, 0.470457000000000 ] mass: 30.973762 reduced_to: 5 - symbol: P # 6 coordinates: [ 0.788108310000000, 0.864691770000000, 0.071445870000000 ] mass: 30.973762 reduced_to: 6 - symbol: P # 7 coordinates: [ 0.071950980000000, 0.223275260000000, 0.385456280000000 ] mass: 30.973762 reduced_to: 7 - symbol: P # 8 coordinates: [ 0.799185270000000, 0.670575790000000, 0.672402140000000 ] mass: 30.973762 reduced_to: 8 - symbol: P # 9 coordinates: [ 0.851824400000000, 0.613406320000000, 0.328468500000000 ] mass: 30.973762 reduced_to: 9 - symbol: P # 10 coordinates: [ 0.140530940000000, 0.902849410000000, 0.326634430000000 ] mass: 30.973762 reduced_to: 10 - symbol: P # 11 coordinates: [ 0.690350550000000, 0.370290610000000, 0.437678800000000 ] mass: 30.973762 reduced_to: 11 - symbol: P # 12 coordinates: [ 0.824987880000000, 0.028264650000000, 0.884401610000000 ] mass: 30.973762 reduced_to: 12 - symbol: P # 13 coordinates: [ 0.050954060000000, 0.056029790000000, 0.180420490000000 ] mass: 30.973762 reduced_to: 13 - symbol: P # 14 coordinates: [ 0.697260180000000, 0.196842500000000, 0.819281870000000 ] mass: 30.973762 reduced_to: 14 - symbol: P # 15 coordinates: [ 0.571512710000000, 0.560267230000000, 0.170418470000000 ] mass: 30.973762 reduced_to: 15 - symbol: P # 16 coordinates: [ 0.054309620000000, 0.679050580000000, 0.300240410000000 ] mass: 30.973762 reduced_to: 16 - symbol: P # 17 coordinates: [ 0.211891690000000, 0.864691770000000, 0.428554130000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 18 coordinates: [ 0.859469060000000, 0.097150590000000, 0.673365570000000 ] mass: 30.973762 reduced_to: 18 - symbol: P # 19 coordinates: [ 0.515968620000000, 0.363298900000000, 0.029543000000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 20 coordinates: [ 0.484031380000000, 0.636701100000000, 0.970457000000000 ] mass: 30.973762 reduced_to: 20 - symbol: P # 21 coordinates: [ 0.175012120000000, 0.971735350000000, 0.115598390000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 22 coordinates: [ 0.537726060000000, 0.135291710000000, 0.064980040000000 ] mass: 30.973762 reduced_to: 22 - symbol: P # 23 coordinates: [ 0.175012120000000, 0.028264650000000, 0.615598390000000 ] mass: 30.973762 reduced_to: 23 - symbol: P # 24 coordinates: [ 0.308186160000000, 0.494633840000000, 0.398682400000000 ] mass: 30.973762 reduced_to: 24 - symbol: P # 25 coordinates: [ 0.050954060000000, 0.943970210000000, 0.680420490000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 26 coordinates: [ 0.426551740000000, 0.269667840000000, 0.614153520000000 ] mass: 30.973762 reduced_to: 26 - symbol: P # 27 coordinates: [ 0.949045940000000, 0.943970210000000, 0.819579510000000 ] mass: 30.973762 reduced_to: 27 - symbol: P # 28 coordinates: [ 0.571512710000000, 0.439732770000000, 0.670418470000000 ] mass: 30.973762 reduced_to: 28 - symbol: P # 29 coordinates: [ 0.957925970000000, 0.387877930000000, 0.930054100000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 30 coordinates: [ 0.851824400000000, 0.386593680000000, 0.828468500000000 ] mass: 30.973762 reduced_to: 30 - symbol: P # 31 coordinates: [ 0.747578640000000, 0.602245030000000, 0.459240860000000 ] mass: 30.973762 reduced_to: 31 - symbol: P # 32 coordinates: [ 0.537726060000000, 0.864708290000000, 0.564980040000000 ] mass: 30.973762 reduced_to: 32 - symbol: P # 33 coordinates: [ 0.428487290000000, 0.439732770000000, 0.829581530000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 34 coordinates: [ 0.426551740000000, 0.730332160000000, 0.114153520000000 ] mass: 30.973762 reduced_to: 34 - symbol: P # 35 coordinates: [ 0.824987880000000, 0.971735350000000, 0.384401610000000 ] mass: 30.973762 reduced_to: 35 - symbol: P # 36 coordinates: [ 0.577493340000000, 0.363466430000000, 0.334429540000000 ] mass: 30.973762 reduced_to: 36 - symbol: P # 37 coordinates: [ 0.422506660000000, 0.636533570000000, 0.665570460000000 ] mass: 30.973762 reduced_to: 37 - symbol: P # 38 coordinates: [ 0.462273940000000, 0.135291710000000, 0.435019960000000 ] mass: 30.973762 reduced_to: 38 - symbol: P # 39 coordinates: [ 0.462273940000000, 0.864708290000000, 0.935019960000000 ] mass: 30.973762 reduced_to: 39 - symbol: P # 40 coordinates: [ 0.599310710000000, 0.183788940000000, 0.167425270000000 ] mass: 30.973762 reduced_to: 40 - symbol: P # 41 coordinates: [ 0.042074030000000, 0.387877930000000, 0.569945900000000 ] mass: 30.973762 reduced_to: 41 - symbol: P # 42 coordinates: [ 0.999443010000000, 0.844907720000000, 0.042220860000000 ] mass: 30.973762 reduced_to: 42 - symbol: P # 43 coordinates: [ 0.945690380000000, 0.320949420000000, 0.699759590000000 ] mass: 30.973762 reduced_to: 43 - symbol: P # 44 coordinates: [ 0.599310710000000, 0.816211060000000, 0.667425270000000 ] mass: 30.973762 reduced_to: 44 - symbol: P # 45 coordinates: [ 0.000556990000000, 0.155092280000000, 0.957779140000000 ] mass: 30.973762 reduced_to: 45 - symbol: P # 46 coordinates: [ 0.577493340000000, 0.636533570000000, 0.834429540000000 ] mass: 30.973762 reduced_to: 46 - symbol: P # 47 coordinates: [ 0.309649450000000, 0.370290610000000, 0.062321200000000 ] mass: 30.973762 reduced_to: 47 - symbol: P # 48 coordinates: [ 0.252421360000000, 0.397754970000000, 0.540759140000000 ] mass: 30.973762 reduced_to: 48 - symbol: P # 49 coordinates: [ 0.200814730000000, 0.670575790000000, 0.827597860000000 ] mass: 30.973762 reduced_to: 49 - symbol: P # 50 coordinates: [ 0.747578640000000, 0.397754970000000, 0.959240860000000 ] mass: 30.973762 reduced_to: 50 - symbol: P # 51 coordinates: [ 0.928049020000000, 0.223275260000000, 0.114543720000000 ] mass: 30.973762 reduced_to: 51 - symbol: P # 52 coordinates: [ 0.928049020000000, 0.776724740000000, 0.614543720000000 ] mass: 30.973762 reduced_to: 52 - symbol: P # 53 coordinates: [ 0.302739820000000, 0.803157500000000, 0.180718130000000 ] mass: 30.973762 reduced_to: 53 - symbol: P # 54 coordinates: [ 0.200814730000000, 0.329424210000000, 0.327597860000000 ] mass: 30.973762 reduced_to: 54 - symbol: P # 55 coordinates: [ 0.515968620000000, 0.636701100000000, 0.529543000000000 ] mass: 30.973762 reduced_to: 55 - symbol: P # 56 coordinates: [ 0.945690380000000, 0.679050580000000, 0.199759590000000 ] mass: 30.973762 reduced_to: 56 - symbol: P # 57 coordinates: [ 0.691813840000000, 0.494633840000000, 0.101317600000000 ] mass: 30.973762 reduced_to: 57 - symbol: P # 58 coordinates: [ 0.071950980000000, 0.776724740000000, 0.885456280000000 ] mass: 30.973762 reduced_to: 58 - symbol: P # 59 coordinates: [ 0.422506660000000, 0.363466430000000, 0.165570460000000 ] mass: 30.973762 reduced_to: 59 - symbol: P # 60 coordinates: [ 0.573448260000000, 0.269667840000000, 0.885846480000000 ] mass: 30.973762 reduced_to: 60 - symbol: P # 61 coordinates: [ 0.140530940000000, 0.097150590000000, 0.826634430000000 ] mass: 30.973762 reduced_to: 61 - symbol: P # 62 coordinates: [ 0.573448260000000, 0.730332160000000, 0.385846480000000 ] mass: 30.973762 reduced_to: 62 - symbol: P # 63 coordinates: [ 0.428487290000000, 0.560267230000000, 0.329581530000000 ] mass: 30.973762 reduced_to: 63 - symbol: P # 64 coordinates: [ 0.751536560000000, 0.904939330000000, 0.541821860000000 ] mass: 30.973762 reduced_to: 64 - symbol: P # 65 coordinates: [ 0.690350550000000, 0.629709390000000, 0.937678800000000 ] mass: 30.973762 reduced_to: 65 - symbol: P # 66 coordinates: [ 0.054309620000000, 0.320949420000000, 0.800240410000000 ] mass: 30.973762 reduced_to: 66 - symbol: P # 67 coordinates: [ 0.799185270000000, 0.329424210000000, 0.172402140000000 ] mass: 30.973762 reduced_to: 67 - symbol: P # 68 coordinates: [ 0.148175600000000, 0.613406320000000, 0.171531500000000 ] mass: 30.973762 reduced_to: 68 - symbol: P # 69 coordinates: [ 0.751536560000000, 0.095060670000000, 0.041821860000000 ] mass: 30.973762 reduced_to: 69 - symbol: P # 70 coordinates: [ 0.309649450000000, 0.629709390000000, 0.562321200000000 ] mass: 30.973762 reduced_to: 70 - symbol: P # 71 coordinates: [ 0.859469060000000, 0.902849410000000, 0.173365570000000 ] mass: 30.973762 reduced_to: 71 - symbol: P # 72 coordinates: [ 0.400689290000000, 0.183788940000000, 0.332574730000000 ] mass: 30.973762 reduced_to: 72 - symbol: P # 73 coordinates: [ 0.211891690000000, 0.135308230000000, 0.928554130000000 ] mass: 30.973762 reduced_to: 73 - symbol: P # 74 coordinates: [ 0.308186160000000, 0.505366160000000, 0.898682400000000 ] mass: 30.973762 reduced_to: 74 - symbol: P # 75 coordinates: [ 0.691813840000000, 0.505366160000000, 0.601317600000000 ] mass: 30.973762 reduced_to: 75 - symbol: P # 76 coordinates: [ 0.248463440000000, 0.095060670000000, 0.458178140000000 ] mass: 30.973762 reduced_to: 76 - symbol: P # 77 coordinates: [ 0.788108310000000, 0.135308230000000, 0.571445870000000 ] mass: 30.973762 reduced_to: 77 - symbol: P # 78 coordinates: [ 0.400689290000000, 0.816211060000000, 0.832574730000000 ] mass: 30.973762 reduced_to: 78 - symbol: P # 79 coordinates: [ 0.999443010000000, 0.155092280000000, 0.542220860000000 ] mass: 30.973762 reduced_to: 79 - symbol: P # 80 coordinates: [ 0.248463440000000, 0.904939330000000, 0.958178140000000 ] mass: 30.973762 reduced_to: 80 - symbol: P # 81 coordinates: [ 0.148175600000000, 0.386593680000000, 0.671531500000000 ] mass: 30.973762 reduced_to: 81 - symbol: P # 82 coordinates: [ 0.949045940000000, 0.056029790000000, 0.319579510000000 ] mass: 30.973762 reduced_to: 82 - symbol: P # 83 coordinates: [ 0.697260180000000, 0.803157500000000, 0.319281870000000 ] mass: 30.973762 reduced_to: 83 - symbol: P # 84 coordinates: [ 0.957925970000000, 0.612122070000000, 0.430054100000000 ] mass: 30.973762 reduced_to: 84supercell: lattice: - [ 9.170073410000001, 0.000000000000000, -0.051898890000000 ] # a - [ 0.000000000000000, 9.100478460000000, 0.000000000000000 ] # b - [ -6.003479600000000, 0.000000000000000, 21.382895749999999 ] # c points: - symbol: P # 1 coordinates: [ 0.042074030000000, 0.612122070000000, 0.069945900000000 ] mass: 30.973762 reduced_to: 1 - symbol: P # 2 coordinates: [ 0.252421360000000, 0.602245030000000, 0.040759140000000 ] mass: 30.973762 reduced_to: 2 - symbol: P # 3 coordinates: [ 0.302739820000000, 0.196842500000000, 0.680718130000000 ] mass: 30.973762 reduced_to: 3 - symbol: P # 4 coordinates: [ 0.000556990000000, 0.844907720000000, 0.457779140000000 ] mass: 30.973762 reduced_to: 4 - symbol: P # 5 coordinates: [ 0.484031380000000, 0.363298900000000, 0.470457000000000 ] mass: 30.973762 reduced_to: 5 - symbol: P # 6 coordinates: [ 0.788108310000000, 0.864691770000000, 0.071445870000000 ] mass: 30.973762 reduced_to: 6 - symbol: P # 7 coordinates: [ 0.071950980000000, 0.223275260000000, 0.385456280000000 ] mass: 30.973762 reduced_to: 7 - symbol: P # 8 coordinates: [ 0.799185270000000, 0.670575790000000, 0.672402140000000 ] mass: 30.973762 reduced_to: 8 - symbol: P # 9 coordinates: [ 0.851824400000000, 0.613406320000000, 0.328468500000000 ] mass: 30.973762 reduced_to: 9 - symbol: P # 10 coordinates: [ 0.140530940000000, 0.902849410000000, 0.326634430000000 ] mass: 30.973762 reduced_to: 10 - symbol: P # 11 coordinates: [ 0.690350550000000, 0.370290610000000, 0.437678800000000 ] mass: 30.973762 reduced_to: 11 - symbol: P # 12 coordinates: [ 0.824987880000000, 0.028264650000000, 0.884401610000000 ] mass: 30.973762 reduced_to: 12 - symbol: P # 13 coordinates: [ 0.050954060000000, 0.056029790000000, 0.180420490000000 ] mass: 30.973762 reduced_to: 13 - symbol: P # 14 coordinates: [ 0.697260180000000, 0.196842500000000, 0.819281870000000 ] mass: 30.973762 reduced_to: 14 - symbol: P # 15 coordinates: [ 0.571512710000000, 0.560267230000000, 0.170418470000000 ] mass: 30.973762 reduced_to: 15 - symbol: P # 16 coordinates: [ 0.054309620000000, 0.679050580000000, 0.300240410000000 ] mass: 30.973762 reduced_to: 16 - symbol: P # 17 coordinates: [ 0.211891690000000, 0.864691770000000, 0.428554130000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 18 coordinates: [ 0.859469060000000, 0.097150590000000, 0.673365570000000 ] mass: 30.973762 reduced_to: 18 - symbol: P # 19 coordinates: [ 0.515968620000000, 0.363298900000000, 0.029543000000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 20 coordinates: [ 0.484031380000000, 0.636701100000000, 0.970457000000000 ] mass: 30.973762 reduced_to: 20 - symbol: P # 21 coordinates: [ 0.175012120000000, 0.971735350000000, 0.115598390000000 ] mass: 30.973762 reduced_to: 21 - symbol: P # 22 coordinates: [ 0.537726060000000, 0.135291710000000, 0.064980040000000 ] mass: 30.973762 reduced_to: 22 - symbol: P # 23 coordinates: [ 0.175012120000000, 0.028264650000000, 0.615598390000000 ] mass: 30.973762 reduced_to: 23 - symbol: P # 24 coordinates: [ 0.308186160000000, 0.494633840000000, 0.398682400000000 ] mass: 30.973762 reduced_to: 24 - symbol: P # 25 coordinates: [ 0.050954060000000, 0.943970210000000, 0.680420490000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 26 coordinates: [ 0.426551740000000, 0.269667840000000, 0.614153520000000 ] mass: 30.973762 reduced_to: 26 - symbol: P # 27 coordinates: [ 0.949045940000000, 0.943970210000000, 0.819579510000000 ] mass: 30.973762 reduced_to: 27 - symbol: P # 28 coordinates: [ 0.571512710000000, 0.439732770000000, 0.670418470000000 ] mass: 30.973762 reduced_to: 28 - symbol: P # 29 coordinates: [ 0.957925970000000, 0.387877930000000, 0.930054100000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 30 coordinates: [ 0.851824400000000, 0.386593680000000, 0.828468500000000 ] mass: 30.973762 reduced_to: 30 - symbol: P # 31 coordinates: [ 0.747578640000000, 0.602245030000000, 0.459240860000000 ] mass: 30.973762 reduced_to: 31 - symbol: P # 32 coordinates: [ 0.537726060000000, 0.864708290000000, 0.564980040000000 ] mass: 30.973762 reduced_to: 32 - symbol: P # 33 coordinates: [ 0.428487290000000, 0.439732770000000, 0.829581530000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 34 coordinates: [ 0.426551740000000, 0.730332160000000, 0.114153520000000 ] mass: 30.973762 reduced_to: 34 - symbol: P # 35 coordinates: [ 0.824987880000000, 0.971735350000000, 0.384401610000000 ] mass: 30.973762 reduced_to: 35 - symbol: P # 36 coordinates: [ 0.577493340000000, 0.363466430000000, 0.334429540000000 ] mass: 30.973762 reduced_to: 36 - symbol: P # 37 coordinates: [ 0.422506660000000, 0.636533570000000, 0.665570460000000 ] mass: 30.973762 reduced_to: 37 - symbol: P # 38 coordinates: [ 0.462273940000000, 0.135291710000000, 0.435019960000000 ] mass: 30.973762 reduced_to: 38 - symbol: P # 39 coordinates: [ 0.462273940000000, 0.864708290000000, 0.935019960000000 ] mass: 30.973762 reduced_to: 39 - symbol: P # 40 coordinates: [ 0.599310710000000, 0.183788940000000, 0.167425270000000 ] mass: 30.973762 reduced_to: 40 - symbol: P # 41 coordinates: [ 0.042074030000000, 0.387877930000000, 0.569945900000000 ] mass: 30.973762 reduced_to: 41 - symbol: P # 42 coordinates: [ 0.999443010000000, 0.844907720000000, 0.042220860000000 ] mass: 30.973762 reduced_to: 42 - symbol: P # 43 coordinates: [ 0.945690380000000, 0.320949420000000, 0.699759590000000 ] mass: 30.973762 reduced_to: 43 - symbol: P # 44 coordinates: [ 0.599310710000000, 0.816211060000000, 0.667425270000000 ] mass: 30.973762 reduced_to: 44 - symbol: P # 45 coordinates: [ 0.000556990000000, 0.155092280000000, 0.957779140000000 ] mass: 30.973762 reduced_to: 45 - symbol: P # 46 coordinates: [ 0.577493340000000, 0.636533570000000, 0.834429540000000 ] mass: 30.973762 reduced_to: 46 - symbol: P # 47 coordinates: [ 0.309649450000000, 0.370290610000000, 0.062321200000000 ] mass: 30.973762 reduced_to: 47 - symbol: P # 48 coordinates: [ 0.252421360000000, 0.397754970000000, 0.540759140000000 ] mass: 30.973762 reduced_to: 48 - symbol: P # 49 coordinates: [ 0.200814730000000, 0.670575790000000, 0.827597860000000 ] mass: 30.973762 reduced_to: 49 - symbol: P # 50 coordinates: [ 0.747578640000000, 0.397754970000000, 0.959240860000000 ] mass: 30.973762 reduced_to: 50 - symbol: P # 51 coordinates: [ 0.928049020000000, 0.223275260000000, 0.114543720000000 ] mass: 30.973762 reduced_to: 51 - symbol: P # 52 coordinates: [ 0.928049020000000, 0.776724740000000, 0.614543720000000 ] mass: 30.973762 reduced_to: 52 - symbol: P # 53 coordinates: [ 0.302739820000000, 0.803157500000000, 0.180718130000000 ] mass: 30.973762 reduced_to: 53 - symbol: P # 54 coordinates: [ 0.200814730000000, 0.329424210000000, 0.327597860000000 ] mass: 30.973762 reduced_to: 54 - symbol: P # 55 coordinates: [ 0.515968620000000, 0.636701100000000, 0.529543000000000 ] mass: 30.973762 reduced_to: 55 - symbol: P # 56 coordinates: [ 0.945690380000000, 0.679050580000000, 0.199759590000000 ] mass: 30.973762 reduced_to: 56 - symbol: P # 57 coordinates: [ 0.691813840000000, 0.494633840000000, 0.101317600000000 ] mass: 30.973762 reduced_to: 57 - symbol: P # 58 coordinates: [ 0.071950980000000, 0.776724740000000, 0.885456280000000 ] mass: 30.973762 reduced_to: 58 - symbol: P # 59 coordinates: [ 0.422506660000000, 0.363466430000000, 0.165570460000000 ] mass: 30.973762 reduced_to: 59 - symbol: P # 60 coordinates: [ 0.573448260000000, 0.269667840000000, 0.885846480000000 ] mass: 30.973762 reduced_to: 60 - symbol: P # 61 coordinates: [ 0.140530940000000, 0.097150590000000, 0.826634430000000 ] mass: 30.973762 reduced_to: 61 - symbol: P # 62 coordinates: [ 0.573448260000000, 0.730332160000000, 0.385846480000000 ] mass: 30.973762 reduced_to: 62 - symbol: P # 63 coordinates: [ 0.428487290000000, 0.560267230000000, 0.329581530000000 ] mass: 30.973762 reduced_to: 63 - symbol: P # 64 coordinates: [ 0.751536560000000, 0.904939330000000, 0.541821860000000 ] mass: 30.973762 reduced_to: 64 - symbol: P # 65 coordinates: [ 0.690350550000000, 0.629709390000000, 0.937678800000000 ] mass: 30.973762 reduced_to: 65 - symbol: P # 66 coordinates: [ 0.054309620000000, 0.320949420000000, 0.800240410000000 ] mass: 30.973762 reduced_to: 66 - symbol: P # 67 coordinates: [ 0.799185270000000, 0.329424210000000, 0.172402140000000 ] mass: 30.973762 reduced_to: 67 - symbol: P # 68 coordinates: [ 0.148175600000000, 0.613406320000000, 0.171531500000000 ] mass: 30.973762 reduced_to: 68 - symbol: P # 69 coordinates: [ 0.751536560000000, 0.095060670000000, 0.041821860000000 ] mass: 30.973762 reduced_to: 69 - symbol: P # 70 coordinates: [ 0.309649450000000, 0.629709390000000, 0.562321200000000 ] mass: 30.973762 reduced_to: 70 - symbol: P # 71 coordinates: [ 0.859469060000000, 0.902849410000000, 0.173365570000000 ] mass: 30.973762 reduced_to: 71 - symbol: P # 72 coordinates: [ 0.400689290000000, 0.183788940000000, 0.332574730000000 ] mass: 30.973762 reduced_to: 72 - symbol: P # 73 coordinates: [ 0.211891690000000, 0.135308230000000, 0.928554130000000 ] mass: 30.973762 reduced_to: 73 - symbol: P # 74 coordinates: [ 0.308186160000000, 0.505366160000000, 0.898682400000000 ] mass: 30.973762 reduced_to: 74 - symbol: P # 75 coordinates: [ 0.691813840000000, 0.505366160000000, 0.601317600000000 ] mass: 30.973762 reduced_to: 75 - symbol: P # 76 coordinates: [ 0.248463440000000, 0.095060670000000, 0.458178140000000 ] mass: 30.973762 reduced_to: 76 - symbol: P # 77 coordinates: [ 0.788108310000000, 0.135308230000000, 0.571445870000000 ] mass: 30.973762 reduced_to: 77 - symbol: P # 78 coordinates: [ 0.400689290000000, 0.816211060000000, 0.832574730000000 ] mass: 30.973762 reduced_to: 78 - symbol: P # 79 coordinates: [ 0.999443010000000, 0.155092280000000, 0.542220860000000 ] mass: 30.973762 reduced_to: 79 - symbol: P # 80 coordinates: [ 0.248463440000000, 0.904939330000000, 0.958178140000000 ] mass: 30.973762 reduced_to: 80 - symbol: P # 81 coordinates: [ 0.148175600000000, 0.386593680000000, 0.671531500000000 ] mass: 30.973762 reduced_to: 81 - symbol: P # 82 coordinates: [ 0.949045940000000, 0.056029790000000, 0.319579510000000 ] mass: 30.973762 reduced_to: 82 - symbol: P # 83 coordinates: [ 0.697260180000000, 0.803157500000000, 0.319281870000000 ] mass: 30.973762 reduced_to: 83 - symbol: P # 84 coordinates: [ 0.957925970000000, 0.612122070000000, 0.430054100000000 ] mass: 30.973762 reduced_to: 84displacements:- atom: 1 displacement: [ 0.0099998398488412, 0.0000000000000000, -0.0000565950309369 ] forces: - [ -0.1247862200000000, 0.0095542100000000, 0.0050933500000000 ] - [ 0.0792839400000000, 0.0016590500000000, -0.0145586600000000 ] - [ -0.0001106600000000, -0.0002088100000000, -0.0002355300000000 ] - [ 0.0000246800000000, 0.0001564100000000, 0.0002172300000000 ] - [ -0.0000070000000000, 0.0000113100000000, 0.0001485900000000 ] - [ -0.0003741100000000, -0.0084796800000000, 0.0034603300000000 ] - [ -0.0000883100000000, 0.0000874700000000, 0.0000719600000000 ] - [ 0.0001788400000000, -0.0003313300000000, 0.0001712400000000 ] - [ -0.0006051200000000, -0.0001419200000000, -0.0008715400000000 ] - [ 0.0000609400000000, 0.0006050900000000, -0.0001133300000000 ] - [ 0.0000194600000000, -0.0000193400000000, -0.0000851600000000 ] - [ -0.0001838200000000, -0.0001563400000000, -0.0001158200000000 ] - [ 0.0009542000000000, 0.0002017700000000, 0.0000849300000000 ] - [ 0.0000837600000000, -0.0002615300000000, 0.0001169300000000 ] - [ -0.0002601000000000, 0.0016132300000000, -0.0012119200000000 ] - [ 0.0023987200000000, -0.0004553500000000, -0.0009385400000000 ] - [ 0.0000008900000000, 0.0000938500000000, 0.0001821800000000 ] - [ 0.0002411600000000, -0.0003786100000000, -0.0001804000000000 ] - [ 0.0007720800000000, 0.0011109700000000, -0.0006518000000000 ] - [ 0.0036855200000000, 0.0009625000000000, -0.0012570400000000 ] - [ -0.0004921400000000, 0.0018763000000000, -0.0006859300000000 ] - [ -0.0016079400000000, -0.0016263400000000, 0.0006666500000000 ] - [ 0.0000575400000000, -0.0001469400000000, 0.0000398000000000 ] - [ 0.0002604400000000, -0.0000558200000000, 0.0003210800000000 ] - [ -0.0000136600000000, -0.0001210000000000, -0.0001508600000000 ] - [ 0.0001154100000000, -0.0001497100000000, -0.0001643600000000 ] - [ -0.0000527400000000, -0.0001523900000000, 0.0002715200000000 ] - [ 0.0001588200000000, -0.0003336500000000, 0.0000932500000000 ] - [ -0.0001361600000000, -0.0002075500000000, -0.0004201100000000 ] - [ -0.0002376600000000, -0.0001202400000000, 0.0000091300000000 ] - [ -0.0000469800000000, 0.0000755700000000, -0.0003280900000000 ] - [ 0.0000323600000000, -0.0001102300000000, -0.0000213100000000 ] - [ -0.0001116400000000, -0.0002438700000000, -0.0000906700000000 ] - [ 0.0073743000000000, 0.0066877300000000, 0.0041852400000000 ] - [ -0.0000612400000000, 0.0000827200000000, -0.0000072000000000 ] - [ -0.0003379700000000, 0.0002571200000000, -0.0000563700000000 ] - [ 0.0001399800000000, -0.0001904800000000, 0.0000162500000000 ] - [ -0.0000151200000000, 0.0001459600000000, 0.0000230500000000 ] - [ 0.0001702400000000, -0.0004218800000000, -0.0001647900000000 ] - [ 0.0002704600000000, -0.0001450800000000, -0.0000635200000000 ] - [ 0.0001995900000000, -0.0002054400000000, 0.0001908400000000 ] - [ 0.0126010500000000, -0.0061474700000000, -0.0016768400000000 ] - [ 0.0000930600000000, 0.0000368800000000, 0.0001005500000000 ] - [ 0.0001101600000000, -0.0000953400000000, -0.0000937700000000 ] - [ 0.0000252000000000, 0.0002638600000000, 0.0001376000000000 ] - [ -0.0001968800000000, -0.0004079000000000, -0.0001441100000000 ] - [ 0.0009308900000000, -0.0052283400000000, -0.0000741000000000 ] - [ 0.0001492100000000, -0.0001610100000000, 0.0001158300000000 ] - [ 0.0000071400000000, -0.0002496700000000, -0.0001779400000000 ] - [ 0.0004191900000000, 0.0004600400000000, 0.0003056900000000 ] - [ 0.0002850900000000, 0.0000017500000000, 0.0003666900000000 ] - [ 0.0000839400000000, -0.0001371600000000, -0.0001311900000000 ] - [ 0.0046450000000000, 0.0015094900000000, 0.0021469300000000 ] - [ -0.0001547800000000, 0.0003427300000000, -0.0002076700000000 ] - [ 0.0001144500000000, 0.0000061600000000, -0.0000559600000000 ] - [ -0.0033634800000000, -0.0000661200000000, -0.0062729500000000 ] - [ 0.0014629600000000, 0.0005889600000000, -0.0002927100000000 ] - [ -0.0001832400000000, -0.0001039400000000, -0.0001546900000000 ] - [ -0.0008017000000000, -0.0000657300000000, 0.0000935800000000 ] - [ -0.0001603500000000, -0.0001280300000000, 0.0000162500000000 ] - [ -0.0000452100000000, -0.0005899500000000, 0.0000327100000000 ] - [ -0.0000238300000000, 0.0000740500000000, 0.0000847100000000 ] - [ -0.0001209600000000, 0.0003731200000000, 0.0000673900000000 ] - [ 0.0000321700000000, -0.0001880400000000, 0.0000453400000000 ] - [ -0.0004494600000000, 0.0001876800000000, 0.0003057400000000 ] - [ -0.0001404400000000, 0.0000700300000000, 0.0000746800000000 ] - [ 0.0000317600000000, 0.0001303800000000, -0.0003573500000000 ] - [ 0.0144265300000000, -0.0012873200000000, 0.0144108800000000 ] - [ 0.0038850400000000, 0.0004821100000000, -0.0010045900000000 ] - [ 0.0000268400000000, -0.0000571700000000, 0.0000742800000000 ] - [ -0.0002724100000000, 0.0002501300000000, -0.0003931200000000 ] - [ -0.0001392600000000, 0.0000922100000000, 0.0000624600000000 ] - [ -0.0003019200000000, -0.0005144200000000, 0.0003888900000000 ] - [ -0.0000463700000000, 0.0000080500000000, -0.0001881200000000 ] - [ -0.0000672900000000, 0.0000008800000000, -0.0002147000000000 ] - [ -0.0000281200000000, 0.0001356300000000, -0.0001106700000000 ] - [ -0.0000440900000000, -0.0002955900000000, -0.0000454500000000 ] - [ -0.0001347700000000, -0.0001966500000000, -0.0000436800000000 ] - [ -0.0000486500000000, -0.0001545800000000, -0.0001383800000000 ] - [ 0.0000455200000000, -0.0001185100000000, -0.0001035200000000 ] - [ 0.0001305500000000, -0.0001595600000000, -0.0001249300000000 ] - [ -0.0000817500000000, 0.0001712900000000, 0.0000429700000000 ] - [ -0.0000135100000000, 0.0003771500000000, 0.0000957400000000 ] - [ 0.0003579700000000, 0.0002721600000000, 0.0000469000000000 ]- atom: 1 displacement: [ -0.0099998398488412, 0.0000000000000000, 0.0000565950309369 ] forces: - [ 0.1213111500000000, -0.0087118500000000, -0.0034183600000000 ] - [ -0.0753289200000000, -0.0015766600000000, 0.0136442300000000 ] - [ -0.0000993600000000, -0.0001919800000000, -0.0002525300000000 ] - [ 0.0000480600000000, 0.0001547300000000, 0.0000496700000000 ] - [ -0.0000234800000000, 0.0000095900000000, -0.0000521600000000 ] - [ 0.0002451100000000, 0.0090827100000000, -0.0034963100000000 ] - [ -0.0000972200000000, 0.0001939400000000, 0.0002126500000000 ] - [ 0.0001729800000000, -0.0003373900000000, 0.0001685200000000 ] - [ 0.0003691100000000, 0.0004030600000000, 0.0010986600000000 ] - [ -0.0005335600000000, 0.0001958400000000, 0.0004464800000000 ] - [ -0.0000243400000000, 0.0001116000000000, -0.0001327400000000 ] - [ 0.0000544900000000, -0.0001684000000000, 0.0000544200000000 ] - [ -0.0010174800000000, 0.0000459400000000, -0.0003987600000000 ] - [ 0.0001242300000000, -0.0001423400000000, 0.0003682300000000 ] - [ 0.0005142900000000, -0.0009439200000000, 0.0014304200000000 ] - [ -0.0025580400000000, 0.0002966700000000, 0.0007891600000000 ] - [ 0.0001119400000000, 0.0004672700000000, -0.0001252800000000 ] - [ 0.0002315500000000, -0.0004241100000000, -0.0001481000000000 ] - [ -0.0007016600000000, -0.0011085200000000, 0.0005562400000000 ] - [ -0.0037383900000000, -0.0009855400000000, 0.0013538900000000 ] - [ 0.0005595900000000, -0.0015565300000000, 0.0007166300000000 ] - [ 0.0016700800000000, 0.0018636500000000, -0.0007501700000000 ] - [ 0.0000691000000000, -0.0001749200000000, 0.0000237200000000 ] - [ -0.0001382900000000, 0.0000510400000000, 0.0001512700000000 ] - [ -0.0000557000000000, -0.0001214100000000, -0.0001639800000000 ] - [ 0.0001141300000000, -0.0001686000000000, -0.0001792000000000 ] - [ 0.0001206600000000, -0.0000912600000000, 0.0000429300000000 ] - [ 0.0001005000000000, -0.0002785600000000, 0.0001122300000000 ] - [ -0.0002404500000000, -0.0001643200000000, 0.0000310100000000 ] - [ -0.0000019500000000, -0.0001462900000000, 0.0002188700000000 ] - [ -0.0002493800000000, 0.0001815700000000, 0.0000902200000000 ] - [ 0.0000336600000000, -0.0001106600000000, -0.0000544700000000 ] - [ -0.0001408600000000, -0.0003692500000000, -0.0001098400000000 ] - [ -0.0069373900000000, -0.0063262900000000, -0.0044661300000000 ] - [ -0.0000651300000000, 0.0002389800000000, -0.0000552600000000 ] - [ -0.0000064500000000, 0.0000844600000000, -0.0001456100000000 ] - [ 0.0002043100000000, -0.0001508300000000, 0.0001861400000000 ] - [ -0.0000520900000000, 0.0000745400000000, 0.0000537900000000 ] - [ -0.0002324400000000, 0.0002027400000000, 0.0002369800000000 ] - [ -0.0000563500000000, 0.0003821500000000, -0.0001502700000000 ] - [ 0.0001933300000000, -0.0001752500000000, 0.0002056200000000 ] - [ -0.0125350800000000, 0.0061946100000000, 0.0014014300000000 ] - [ 0.0000612700000000, 0.0001305000000000, 0.0000633500000000 ] - [ 0.0000990000000000, -0.0001414700000000, -0.0001062900000000 ] - [ 0.0000414200000000, -0.0005786100000000, 0.0001332200000000 ] - [ -0.0001506800000000, 0.0000683400000000, -0.0000577600000000 ] - [ -0.0008774700000000, 0.0052569900000000, 0.0002347200000000 ] - [ 0.0001472600000000, -0.0000957900000000, 0.0001237200000000 ] - [ -0.0003571400000000, -0.0004167900000000, -0.0001654100000000 ] - [ -0.0007101100000000, -0.0007190600000000, -0.0005512700000000 ] - [ -0.0001050400000000, 0.0002764100000000, -0.0006509600000000 ] - [ 0.0001014600000000, -0.0001455900000000, -0.0001532300000000 ] - [ -0.0048496800000000, -0.0011646100000000, -0.0026310300000000 ] - [ -0.0001974900000000, 0.0003260800000000, -0.0001320000000000 ] - [ -0.0000834600000000, -0.0000286000000000, -0.0000406200000000 ] - [ 0.0035311400000000, -0.0000824500000000, 0.0064324200000000 ] - [ -0.0016162900000000, -0.0006135200000000, -0.0001680700000000 ] - [ -0.0000054900000000, -0.0001788200000000, 0.0004328200000000 ] - [ 0.0011297800000000, 0.0004160900000000, 0.0001012800000000 ] - [ -0.0000706800000000, -0.0001966900000000, 0.0003232300000000 ] - [ -0.0004255900000000, -0.0002169300000000, 0.0002948000000000 ] - [ -0.0002049400000000, 0.0002424600000000, 0.0002585700000000 ] - [ -0.0001388300000000, 0.0002394300000000, -0.0002730400000000 ] - [ 0.0000681700000000, -0.0002033900000000, 0.0000307500000000 ] - [ 0.0004582800000000, -0.0002860100000000, -0.0005277800000000 ] - [ -0.0000146200000000, 0.0000975000000000, -0.0002372500000000 ] - [ 0.0003252800000000, 0.0005393400000000, 0.0007041300000000 ] - [ -0.0142870100000000, 0.0014958200000000, -0.0147714700000000 ] - [ -0.0038048300000000, -0.0000729700000000, 0.0010762400000000 ] - [ -0.0000222800000000, -0.0000344700000000, 0.0001447900000000 ] - [ 0.0007430200000000, 0.0005460500000000, 0.0000658400000000 ] - [ -0.0000701100000000, 0.0001451000000000, 0.0001383600000000 ] - [ 0.0004128200000000, -0.0000477000000000, -0.0003258500000000 ] - [ 0.0001675900000000, -0.0000020800000000, 0.0006635700000000 ] - [ -0.0000545500000000, 0.0000043200000000, -0.0002597900000000 ] - [ -0.0000716400000000, 0.0002563700000000, 0.0000359200000000 ] - [ -0.0000690900000000, -0.0002633100000000, -0.0000137100000000 ] - [ -0.0000736100000000, -0.0000374000000000, 0.0002433000000000 ] - [ -0.0000247100000000, -0.0001568200000000, -0.0001282700000000 ] - [ -0.0001412100000000, -0.0002675500000000, 0.0000261300000000 ] - [ 0.0001051700000000, -0.0001041800000000, -0.0000979100000000 ] - [ 0.0001501100000000, 0.0000719100000000, 0.0002719600000000 ] - [ 0.0002237100000000, 0.0000229200000000, 0.0003919300000000 ] - [ -0.0007532100000000, 0.0001090100000000, -0.0004435600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0097774600000000, -0.1140248300000000, 0.0084861000000000 ] - [ -0.0027693400000000, 0.0131003500000000, -0.0019723500000000 ] - [ -0.0000968600000000, -0.0001996500000000, -0.0002478600000000 ] - [ 0.0000819300000000, 0.0002062400000000, 0.0001793300000000 ] - [ -0.0000874000000000, 0.0001099000000000, -0.0000017100000000 ] - [ -0.0056043900000000, -0.0002307700000000, 0.0005079200000000 ] - [ -0.0001406900000000, 0.0002145900000000, 0.0000680700000000 ] - [ 0.0001630400000000, -0.0003396000000000, 0.0001675800000000 ] - [ 0.0000149900000000, 0.0000349100000000, 0.0004207200000000 ] - [ 0.0000370100000000, 0.0003736600000000, 0.0002345600000000 ] - [ -0.0000041800000000, 0.0000868000000000, -0.0002417400000000 ] - [ 0.0001401200000000, -0.0000876500000000, -0.0002506000000000 ] - [ 0.0017395000000000, 0.0000898000000000, -0.0019956100000000 ] - [ -0.0001444100000000, -0.0001820300000000, 0.0002082400000000 ] - [ 0.0004499200000000, 0.0009989400000000, 0.0000853400000000 ] - [ -0.0007717700000000, -0.0000598000000000, 0.0001097200000000 ] - [ -0.0000055200000000, 0.0002784300000000, -0.0000023700000000 ] - [ 0.0002479800000000, -0.0003714800000000, -0.0001790500000000 ] - [ 0.0004784000000000, 0.0030301100000000, -0.0010883000000000 ] - [ 0.0008499600000000, -0.0000926100000000, 0.0003857700000000 ] - [ 0.0069556300000000, 0.0091316900000000, 0.0066845800000000 ] - [ -0.0013208300000000, -0.0008526400000000, 0.0004677200000000 ] - [ 0.0000609600000000, -0.0001521000000000, 0.0000194500000000 ] - [ -0.0001211700000000, 0.0000270300000000, 0.0003438900000000 ] - [ -0.0000515300000000, -0.0001197800000000, -0.0001820900000000 ] - [ 0.0001166000000000, -0.0001644900000000, -0.0001610400000000 ] - [ 0.0001284600000000, -0.0001096200000000, 0.0000874200000000 ] - [ 0.0001238000000000, -0.0003043700000000, 0.0000893900000000 ] - [ -0.0002139300000000, -0.0001130300000000, 0.0008121200000000 ] - [ -0.0001098800000000, -0.0006123500000000, 0.0005617400000000 ] - [ -0.0002222700000000, 0.0001538700000000, -0.0001115100000000 ] - [ 0.0000388700000000, -0.0001253500000000, -0.0000348100000000 ] - [ -0.0002653000000000, -0.0004018400000000, -0.0002745800000000 ] - [ 0.0020229100000000, -0.0003744100000000, -0.0004438200000000 ] - [ -0.0001760300000000, 0.0001333900000000, -0.0000100700000000 ] - [ -0.0000929100000000, 0.0000694100000000, -0.0001860200000000 ] - [ 0.0001427200000000, -0.0001624800000000, 0.0001131500000000 ] - [ -0.0000497700000000, 0.0001103900000000, -0.0000572900000000 ] - [ -0.0002998100000000, -0.0004575500000000, 0.0006005700000000 ] - [ -0.0003975400000000, 0.0005965300000000, 0.0003383900000000 ] - [ 0.0002119100000000, -0.0001920900000000, 0.0001878000000000 ] - [ -0.0020062200000000, 0.0754923400000000, -0.0125641700000000 ] - [ 0.0000988700000000, 0.0000322900000000, 0.0000799400000000 ] - [ 0.0000852200000000, -0.0001220500000000, -0.0000960000000000 ] - [ 0.0002617100000000, 0.0007888600000000, -0.0006173300000000 ] - [ -0.0002428000000000, -0.0001485100000000, -0.0002347800000000 ] - [ -0.0084430100000000, -0.0017112600000000, 0.0034905000000000 ] - [ 0.0001149900000000, -0.0001175700000000, 0.0001002200000000 ] - [ -0.0002009500000000, -0.0004235600000000, -0.0000169000000000 ] - [ 0.0005666700000000, 0.0003181500000000, 0.0003600600000000 ] - [ 0.0005932500000000, 0.0007903700000000, 0.0000987000000000 ] - [ 0.0000994900000000, -0.0001419000000000, -0.0001462400000000 ] - [ 0.0026526100000000, 0.0065107300000000, 0.0028358900000000 ] - [ -0.0001276800000000, 0.0002677600000000, -0.0000805500000000 ] - [ -0.0000009800000000, 0.0000018000000000, -0.0000665800000000 ] - [ -0.0011586100000000, 0.0000389800000000, 0.0025441600000000 ] - [ 0.0003608800000000, 0.0006086800000000, -0.0001250900000000 ] - [ -0.0000021900000000, -0.0001048900000000, -0.0001134800000000 ] - [ 0.0000478200000000, -0.0010492800000000, -0.0001854800000000 ] - [ -0.0000910800000000, -0.0001134100000000, 0.0000923900000000 ] - [ -0.0003091100000000, -0.0003817200000000, 0.0002413600000000 ] - [ -0.0000495000000000, 0.0003698200000000, 0.0001265900000000 ] - [ -0.0000676200000000, 0.0001202400000000, -0.0002738700000000 ] - [ 0.0000497400000000, -0.0001991300000000, 0.0000183800000000 ] - [ -0.0001652800000000, 0.0002139800000000, -0.0004215600000000 ] - [ -0.0001046500000000, 0.0001777600000000, -0.0001228600000000 ] - [ -0.0000675400000000, 0.0002945300000000, -0.0002365400000000 ] - [ -0.0027898900000000, 0.0079322800000000, -0.0060075800000000 ] - [ 0.0003339200000000, 0.0020336300000000, -0.0004829000000000 ] - [ 0.0000300900000000, -0.0000465500000000, 0.0001237100000000 ] - [ 0.0002356800000000, 0.0002418900000000, -0.0013222300000000 ] - [ -0.0000727000000000, 0.0000107100000000, 0.0000763700000000 ] - [ -0.0000196700000000, -0.0001478600000000, -0.0001111900000000 ] - [ 0.0000445500000000, -0.0001063100000000, 0.0002285600000000 ] - [ -0.0000740400000000, 0.0000129700000000, -0.0002431000000000 ] - [ -0.0000909000000000, 0.0001477800000000, -0.0000531400000000 ] - [ -0.0000376300000000, -0.0003056300000000, -0.0000474500000000 ] - [ -0.0002175300000000, -0.0001318800000000, -0.0000845200000000 ] - [ -0.0000350000000000, -0.0001641000000000, -0.0001460200000000 ] - [ -0.0001673900000000, -0.0001851900000000, -0.0002048400000000 ] - [ 0.0001011000000000, -0.0001179500000000, -0.0001027400000000 ] - [ 0.0001809800000000, -0.0001157700000000, 0.0000524900000000 ] - [ 0.0001285600000000, 0.0002537800000000, 0.0001786300000000 ] - [ -0.0002808700000000, 0.0001597200000000, -0.0002595200000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0085859200000000, 0.1107013200000000, -0.0067496600000000 ] - [ 0.0027799900000000, -0.0127472600000000, 0.0022041500000000 ] - [ -0.0001297300000000, -0.0001943900000000, -0.0002460200000000 ] - [ -0.0000094400000000, 0.0001113700000000, 0.0000778000000000 ] - [ 0.0000518300000000, -0.0000858600000000, 0.0001025500000000 ] - [ 0.0054192800000000, 0.0008216500000000, -0.0005853900000000 ] - [ -0.0000376400000000, 0.0000698600000000, 0.0002209000000000 ] - [ 0.0001776300000000, -0.0003239900000000, 0.0001692300000000 ] - [ -0.0002530500000000, 0.0002429400000000, -0.0001826000000000 ] - [ -0.0005210000000000, 0.0004299600000000, 0.0001089700000000 ] - [ 0.0000000000000000, -0.0000064300000000, 0.0000061300000000 ] - [ -0.0002463200000000, -0.0002181600000000, 0.0001829700000000 ] - [ -0.0017534400000000, 0.0001435000000000, 0.0016724200000000 ] - [ 0.0003712500000000, -0.0002044200000000, 0.0002907900000000 ] - [ -0.0001945400000000, -0.0003994100000000, 0.0001184200000000 ] - [ 0.0006196000000000, -0.0001154000000000, -0.0002615900000000 ] - [ 0.0001140700000000, 0.0002850000000000, 0.0000430100000000 ] - [ 0.0002373000000000, -0.0004341700000000, -0.0001626800000000 ] - [ -0.0004114300000000, -0.0030183600000000, 0.0009823600000000 ] - [ -0.0009080800000000, 0.0000531100000000, -0.0002762400000000 ] - [ -0.0068204900000000, -0.0086026200000000, -0.0065524000000000 ] - [ 0.0013908200000000, 0.0010792700000000, -0.0005299300000000 ] - [ 0.0000493200000000, -0.0001546100000000, 0.0000498200000000 ] - [ 0.0002464200000000, -0.0000335400000000, 0.0001260400000000 ] - [ -0.0000252300000000, -0.0001077300000000, -0.0001426200000000 ] - [ 0.0001180500000000, -0.0001495900000000, -0.0001875600000000 ] - [ -0.0000497500000000, -0.0001170300000000, 0.0002351400000000 ] - [ 0.0001294600000000, -0.0002952500000000, 0.0001135200000000 ] - [ -0.0001733700000000, -0.0002582800000000, -0.0012214000000000 ] - [ -0.0001256900000000, 0.0003348500000000, -0.0003337900000000 ] - [ -0.0000856000000000, 0.0001101400000000, -0.0001158500000000 ] - [ 0.0000223500000000, -0.0000959000000000, -0.0000270900000000 ] - [ 0.0000127800000000, -0.0002011800000000, 0.0000700700000000 ] - [ -0.0017926000000000, 0.0006232200000000, 0.0000581700000000 ] - [ 0.0000650100000000, 0.0001729500000000, -0.0000599500000000 ] - [ -0.0002619200000000, 0.0002822100000000, -0.0000014900000000 ] - [ 0.0002120300000000, -0.0001894100000000, 0.0000757800000000 ] - [ -0.0000113500000000, 0.0001108400000000, 0.0001195000000000 ] - [ 0.0002368400000000, 0.0002377000000000, -0.0005306500000000 ] - [ 0.0006110800000000, -0.0003558400000000, -0.0005494500000000 ] - [ 0.0001724900000000, -0.0001854700000000, 0.0002245500000000 ] - [ 0.0015382400000000, -0.0717037600000000, 0.0112950400000000 ] - [ 0.0000435600000000, 0.0001444100000000, 0.0000638700000000 ] - [ 0.0001340700000000, -0.0001218200000000, -0.0001160100000000 ] - [ -0.0001837700000000, -0.0011177600000000, 0.0008747700000000 ] - [ -0.0001144800000000, -0.0002069500000000, 0.0000501300000000 ] - [ 0.0084786600000000, 0.0017961300000000, -0.0032422200000000 ] - [ 0.0001939800000000, -0.0001462500000000, 0.0001290400000000 ] - [ -0.0001410100000000, -0.0002424000000000, -0.0003188900000000 ] - [ -0.0008867600000000, -0.0005751100000000, -0.0005962100000000 ] - [ -0.0004248200000000, -0.0005185700000000, -0.0003889500000000 ] - [ 0.0000784200000000, -0.0001422400000000, -0.0001442800000000 ] - [ -0.0029421900000000, -0.0061208300000000, -0.0033280000000000 ] - [ -0.0002132600000000, 0.0003958800000000, -0.0002571200000000 ] - [ 0.0000363300000000, -0.0000279300000000, -0.0000341800000000 ] - [ 0.0013425100000000, -0.0002330200000000, -0.0023826300000000 ] - [ -0.0004811800000000, -0.0006217400000000, -0.0003547100000000 ] - [ -0.0001760900000000, -0.0001799200000000, 0.0003999600000000 ] - [ 0.0003118900000000, 0.0014025400000000, 0.0003791800000000 ] - [ -0.0001503600000000, -0.0002035700000000, 0.0002538600000000 ] - [ -0.0001787000000000, -0.0004230900000000, 0.0001013900000000 ] - [ -0.0001868600000000, -0.0000569700000000, 0.0002231000000000 ] - [ -0.0001868600000000, 0.0004788500000000, 0.0000701900000000 ] - [ 0.0000533200000000, -0.0001986100000000, 0.0000564400000000 ] - [ 0.0001711300000000, -0.0002805300000000, 0.0001905200000000 ] - [ -0.0000356500000000, 0.0000004700000000, -0.0000234200000000 ] - [ 0.0004026100000000, 0.0003717400000000, 0.0005770600000000 ] - [ 0.0029162600000000, -0.0076644800000000, 0.0054582900000000 ] - [ -0.0002475400000000, -0.0016138300000000, 0.0005645500000000 ] - [ -0.0000265200000000, -0.0000345500000000, 0.0001133200000000 ] - [ 0.0002506300000000, 0.0005516000000000, 0.0009423400000000 ] - [ -0.0001467000000000, 0.0002310900000000, 0.0001356100000000 ] - [ 0.0001322600000000, -0.0004119500000000, 0.0001507500000000 ] - [ 0.0000811700000000, 0.0001128600000000, 0.0002497200000000 ] - [ -0.0000509400000000, -0.0000064200000000, -0.0002286000000000 ] - [ -0.0000128100000000, 0.0002489800000000, -0.0000215500000000 ] - [ -0.0000723300000000, -0.0002566400000000, 0.0000055900000000 ] - [ -0.0000052200000000, -0.0001101700000000, 0.0002968200000000 ] - [ -0.0000375800000000, -0.0001545300000000, -0.0001110800000000 ] - [ 0.0000666900000000, -0.0002101700000000, 0.0001259800000000 ] - [ 0.0001384800000000, -0.0001589400000000, -0.0001292300000000 ] - [ -0.0001016200000000, 0.0003381800000000, 0.0002714800000000 ] - [ 0.0000999700000000, 0.0001372500000000, 0.0003168900000000 ] - [ -0.0001079600000000, 0.0002171500000000, -0.0001547100000000 ]- atom: 1 displacement: [ -0.0027030911372206, 0.0000000000000000, 0.0096277358866911 ] forces: - [ 0.0359298000000000, 0.0049925200000000, -0.1255741900000000 ] - [ -0.0495724000000000, -0.0015435800000000, 0.0211716400000000 ] - [ -0.0000998400000000, -0.0001889600000000, -0.0002463800000000 ] - [ 0.0000346100000000, 0.0001543000000000, 0.0002366000000000 ] - [ -0.0000284300000000, 0.0000479700000000, -0.0000758000000000 ] - [ 0.0005511300000000, 0.0060819700000000, -0.0022310600000000 ] - [ -0.0001416100000000, 0.0000294400000000, 0.0001164000000000 ] - [ 0.0001697200000000, -0.0003252800000000, 0.0001686000000000 ] - [ -0.0001307700000000, 0.0001744700000000, 0.0000246900000000 ] - [ -0.0001760100000000, 0.0004621200000000, 0.0003235000000000 ] - [ -0.0000708200000000, 0.0000225400000000, -0.0001196100000000 ] - [ 0.0000734400000000, -0.0001535800000000, -0.0001053900000000 ] - [ -0.0009104600000000, 0.0005274000000000, 0.0016337000000000 ] - [ -0.0000239900000000, -0.0000460700000000, 0.0003528700000000 ] - [ 0.0005097000000000, -0.0000255400000000, 0.0015664600000000 ] - [ -0.0009404000000000, 0.0003547700000000, 0.0010592000000000 ] - [ -0.0000073200000000, 0.0002860700000000, 0.0000524700000000 ] - [ 0.0002337800000000, -0.0004004500000000, -0.0001459300000000 ] - [ -0.0010627700000000, -0.0013211800000000, 0.0008108500000000 ] - [ -0.0026665500000000, -0.0002438500000000, -0.0006174500000000 ] - [ -0.0023005800000000, -0.0011267600000000, -0.0002062200000000 ] - [ 0.0012092000000000, 0.0008908100000000, -0.0005523900000000 ] - [ 0.0000687800000000, -0.0001726400000000, 0.0000366800000000 ] - [ -0.0000221900000000, 0.0000163700000000, 0.0002533500000000 ] - [ -0.0000395500000000, -0.0001183900000000, -0.0001529600000000 ] - [ 0.0001004000000000, -0.0001688200000000, -0.0001460800000000 ] - [ 0.0002701300000000, -0.0000938700000000, 0.0000631700000000 ] - [ 0.0001503700000000, -0.0002924900000000, 0.0000721500000000 ] - [ -0.0004181100000000, 0.0007732900000000, 0.0014960600000000 ] - [ -0.0000264400000000, -0.0005776100000000, 0.0005760000000000 ] - [ -0.0001625800000000, 0.0001308200000000, -0.0003022700000000 ] - [ 0.0000195800000000, -0.0000875900000000, -0.0000311200000000 ] - [ -0.0000088900000000, -0.0004656100000000, -0.0000947300000000 ] - [ -0.0009231400000000, -0.0025800300000000, -0.0005772500000000 ] - [ 0.0000294800000000, 0.0000528100000000, 0.0000652300000000 ] - [ -0.0000594600000000, 0.0001177800000000, -0.0000763900000000 ] - [ 0.0001853600000000, -0.0001736500000000, 0.0000655700000000 ] - [ -0.0000556000000000, 0.0001445300000000, 0.0000100800000000 ] - [ -0.0000741100000000, 0.0003441800000000, -0.0004195500000000 ] - [ 0.0001742200000000, 0.0000858200000000, -0.0003132000000000 ] - [ 0.0001911900000000, -0.0001787600000000, 0.0001886200000000 ] - [ -0.0020729700000000, -0.0213574200000000, 0.0154762000000000 ] - [ 0.0000878800000000, 0.0001243000000000, 0.0000375400000000 ] - [ 0.0001345300000000, -0.0001326000000000, -0.0001214200000000 ] - [ 0.0000509500000000, -0.0007785500000000, -0.0002716600000000 ] - [ -0.0009787900000000, -0.0004060700000000, 0.0010865500000000 ] - [ 0.0023519300000000, 0.0014956000000000, 0.0004973800000000 ] - [ 0.0001558300000000, -0.0001362200000000, 0.0001167100000000 ] - [ -0.0001980800000000, -0.0001954400000000, -0.0002865400000000 ] - [ 0.0001897200000000, 0.0003914400000000, 0.0007523400000000 ] - [ 0.0000907100000000, -0.0003752200000000, 0.0003000300000000 ] - [ 0.0000962000000000, -0.0001389600000000, -0.0001354500000000 ] - [ 0.0091729300000000, 0.0081772300000000, 0.0058851500000000 ] - [ -0.0000539300000000, 0.0003162000000000, -0.0001030100000000 ] - [ -0.0000386700000000, -0.0000025200000000, -0.0000022000000000 ] - [ -0.0038030400000000, -0.0009550700000000, 0.0055123000000000 ] - [ -0.0013492300000000, 0.0005029500000000, 0.0001072400000000 ] - [ -0.0002242800000000, -0.0002543800000000, 0.0000023800000000 ] - [ 0.0015290000000000, 0.0003700600000000, -0.0004865100000000 ] - [ -0.0004162900000000, -0.0003969800000000, -0.0002380800000000 ] - [ -0.0004289700000000, -0.0002882300000000, 0.0002337000000000 ] - [ -0.0000232000000000, 0.0003198600000000, 0.0000485800000000 ] - [ -0.0001343800000000, 0.0003219800000000, -0.0002078600000000 ] - [ 0.0000580500000000, -0.0002011700000000, 0.0000542800000000 ] - [ 0.0010821000000000, -0.0003376400000000, 0.0007219300000000 ] - [ 0.0000570700000000, 0.0000648500000000, -0.0002630100000000 ] - [ 0.0003573100000000, 0.0005642700000000, -0.0003021000000000 ] - [ 0.0137284800000000, 0.0074115300000000, 0.0727515800000000 ] - [ -0.0021694000000000, -0.0008990800000000, 0.0006771900000000 ] - [ -0.0000144800000000, -0.0000281900000000, 0.0001125900000000 ] - [ 0.0022542200000000, 0.0004077500000000, 0.0001775400000000 ] - [ -0.0000892800000000, 0.0000552900000000, 0.0000767100000000 ] - [ 0.0004375400000000, -0.0003423500000000, -0.0002834600000000 ] - [ 0.0001736800000000, 0.0001959500000000, 0.0001813500000000 ] - [ -0.0000744800000000, 0.0000197000000000, -0.0002357600000000 ] - [ -0.0000300400000000, 0.0002427600000000, -0.0000596900000000 ] - [ -0.0000590100000000, -0.0002723300000000, -0.0000218100000000 ] - [ -0.0001697400000000, 0.0000768400000000, 0.0000891500000000 ] - [ -0.0000231400000000, -0.0001530900000000, -0.0001358700000000 ] - [ 0.0004311200000000, 0.0005433600000000, -0.0002635700000000 ] - [ 0.0001190900000000, -0.0001271600000000, -0.0001092200000000 ] - [ -0.0001665900000000, 0.0002290400000000, 0.0002446800000000 ] - [ 0.0000948800000000, 0.0003137400000000, 0.0001493100000000 ] - [ -0.0001140900000000, 0.0002286800000000, -0.0001211400000000 ]- atom: 1 displacement: [ 0.0027030911372206, 0.0000000000000000, -0.0096277358866911 ] forces: - [ -0.0373489400000000, -0.0047175600000000, 0.1222873300000000 ] - [ 0.0509631100000000, 0.0017755700000000, -0.0209057100000000 ] - [ -0.0001277700000000, -0.0002062300000000, -0.0002437600000000 ] - [ 0.0000370000000000, 0.0001631500000000, 0.0000079500000000 ] - [ -0.0000050000000000, -0.0000279800000000, 0.0001617200000000 ] - [ -0.0006554300000000, -0.0055291500000000, 0.0021603200000000 ] - [ -0.0000355600000000, 0.0002521100000000, 0.0001714500000000 ] - [ 0.0001648900000000, -0.0003360000000000, 0.0001644600000000 ] - [ -0.0001135400000000, 0.0001066800000000, 0.0002215900000000 ] - [ -0.0003046300000000, 0.0003495000000000, 0.0000186100000000 ] - [ 0.0000628200000000, 0.0000607800000000, -0.0001221400000000 ] - [ -0.0001805600000000, -0.0001534000000000, 0.0000419100000000 ] - [ 0.0008313600000000, -0.0002953000000000, -0.0019517500000000 ] - [ 0.0002531200000000, -0.0003481400000000, 0.0001348100000000 ] - [ -0.0002597200000000, 0.0006196900000000, -0.0013858700000000 ] - [ 0.0007641600000000, -0.0005218300000000, -0.0011724000000000 ] - [ 0.0001158200000000, 0.0002747800000000, -0.0000142700000000 ] - [ 0.0002500400000000, -0.0004106300000000, -0.0001965600000000 ] - [ 0.0010997000000000, 0.0013324300000000, -0.0008897200000000 ] - [ 0.0025971900000000, 0.0002104700000000, 0.0007173600000000 ] - [ 0.0023643700000000, 0.0013657800000000, 0.0002281900000000 ] - [ -0.0011499400000000, -0.0006586300000000, 0.0004901800000000 ] - [ 0.0000390000000000, -0.0001313800000000, 0.0000309300000000 ] - [ 0.0001565500000000, -0.0000311600000000, 0.0002114900000000 ] - [ -0.0000367200000000, -0.0001095700000000, -0.0001697000000000 ] - [ 0.0001299700000000, -0.0001420300000000, -0.0002005800000000 ] - [ -0.0001977100000000, -0.0001331400000000, 0.0002592900000000 ] - [ 0.0001023700000000, -0.0003016400000000, 0.0001274700000000 ] - [ 0.0000356300000000, -0.0011727400000000, -0.0019519800000000 ] - [ -0.0002178800000000, 0.0003027200000000, -0.0003495900000000 ] - [ -0.0001438500000000, 0.0001332400000000, 0.0000639400000000 ] - [ 0.0000446400000000, -0.0001397100000000, -0.0000251500000000 ] - [ -0.0002355200000000, -0.0001315200000000, -0.0001062600000000 ] - [ 0.0011139100000000, 0.0028930800000000, 0.0002290800000000 ] - [ -0.0001390800000000, 0.0002521700000000, -0.0001328900000000 ] - [ -0.0003017500000000, 0.0002376900000000, -0.0001067600000000 ] - [ 0.0001729700000000, -0.0001807100000000, 0.0001188000000000 ] - [ -0.0000082300000000, 0.0000824300000000, 0.0000466100000000 ] - [ 0.0000158000000000, -0.0005730700000000, 0.0004815600000000 ] - [ 0.0000480400000000, 0.0001570100000000, 0.0000911700000000 ] - [ 0.0001962000000000, -0.0002018300000000, 0.0002277400000000 ] - [ 0.0020258700000000, 0.0217788100000000, -0.0155877200000000 ] - [ 0.0000606400000000, 0.0000484300000000, 0.0001101600000000 ] - [ 0.0000884900000000, -0.0001156800000000, -0.0000955700000000 ] - [ 0.0000188100000000, 0.0004536000000000, 0.0005266900000000 ] - [ 0.0006208700000000, 0.0000492900000000, -0.0012711200000000 ] - [ -0.0023397900000000, -0.0014076000000000, -0.0003016600000000 ] - [ 0.0001495600000000, -0.0001264500000000, 0.0001243800000000 ] - [ -0.0001350900000000, -0.0004674900000000, -0.0000481700000000 ] - [ -0.0005074100000000, -0.0006532400000000, -0.0010032000000000 ] - [ 0.0000906600000000, 0.0006506700000000, -0.0005907300000000 ] - [ 0.0000783500000000, -0.0001399900000000, -0.0001531500000000 ] - [ -0.0093276500000000, -0.0077667200000000, -0.0062831500000000 ] - [ -0.0002811400000000, 0.0003456300000000, -0.0002293500000000 ] - [ 0.0000718700000000, -0.0000187500000000, -0.0000831900000000 ] - [ 0.0039300000000000, 0.0007621300000000, -0.0052373100000000 ] - [ 0.0012033800000000, -0.0005100000000000, -0.0005851100000000 ] - [ 0.0000517100000000, -0.0000231000000000, 0.0002880800000000 ] - [ -0.0011990900000000, -0.0000040500000000, 0.0006666300000000 ] - [ 0.0001854000000000, 0.0000853700000000, 0.0005907700000000 ] - [ -0.0000529200000000, -0.0005262100000000, 0.0001079400000000 ] - [ -0.0002089300000000, -0.0000086000000000, 0.0002999000000000 ] - [ -0.0001190900000000, 0.0002701300000000, 0.0000113400000000 ] - [ 0.0000445200000000, -0.0001963800000000, 0.0000313100000000 ] - [ -0.0010812400000000, 0.0002494300000000, -0.0009772500000000 ] - [ -0.0002084500000000, 0.0001072800000000, 0.0001180700000000 ] - [ -0.0000167000000000, 0.0001067700000000, 0.0006358000000000 ] - [ -0.0126682300000000, -0.0069722900000000, -0.0695348000000000 ] - [ 0.0022686500000000, 0.0012836600000000, -0.0005838100000000 ] - [ 0.0000233400000000, -0.0000544800000000, 0.0001302500000000 ] - [ -0.0017450400000000, 0.0003879400000000, -0.0005421600000000 ] - [ -0.0001338800000000, 0.0001907900000000, 0.0001409500000000 ] - [ -0.0003343300000000, -0.0002157600000000, 0.0003275800000000 ] - [ -0.0000451700000000, -0.0001720700000000, 0.0002988400000000 ] - [ -0.0000593400000000, -0.0000038300000000, -0.0002299500000000 ] - [ -0.0000737400000000, 0.0001535300000000, -0.0000279900000000 ] - [ -0.0000502800000000, -0.0002903000000000, -0.0000163200000000 ] - [ -0.0000573600000000, -0.0003243200000000, 0.0001295500000000 ] - [ -0.0000484000000000, -0.0001645100000000, -0.0001096700000000 ] - [ -0.0005424800000000, -0.0009525200000000, 0.0001838500000000 ] - [ 0.0001238200000000, -0.0001504900000000, -0.0001250500000000 ] - [ 0.0002452600000000, -0.0000049300000000, 0.0000777200000000 ] - [ 0.0001337800000000, 0.0000788400000000, 0.0003412600000000 ] - [ -0.0002760600000000, 0.0001515700000000, -0.0002935100000000 ]- atom: 2 displacement: [ 0.0099998398488412, 0.0000000000000000, -0.0000565950309369 ] forces: - [ 0.0755565600000000, -0.0024506400000000, -0.0297282100000000 ] - [ -0.1301109700000000, 0.0112800300000000, 0.0019179000000000 ] - [ -0.0001043800000000, -0.0001835600000000, -0.0002563000000000 ] - [ 0.0000980400000000, 0.0001491700000000, 0.0002078500000000 ] - [ -0.0000097700000000, -0.0000019900000000, 0.0000875300000000 ] - [ 0.0019762400000000, 0.0005347200000000, -0.0012420300000000 ] - [ -0.0000725500000000, 0.0000969400000000, 0.0001932600000000 ] - [ 0.0001749800000000, -0.0003382200000000, 0.0001892800000000 ] - [ -0.0001811400000000, 0.0000181100000000, -0.0001129000000000 ] - [ -0.0002950000000000, 0.0002708100000000, 0.0001428800000000 ] - [ -0.0000766800000000, 0.0000319100000000, -0.0001058900000000 ] - [ -0.0001592100000000, -0.0002353500000000, 0.0001610100000000 ] - [ -0.0001199700000000, 0.0001255800000000, 0.0002165800000000 ] - [ 0.0001653300000000, -0.0002487800000000, 0.0000364900000000 ] - [ 0.0040340200000000, -0.0005921400000000, 0.0046962200000000 ] - [ 0.0001428600000000, 0.0000485900000000, 0.0002905800000000 ] - [ 0.0000826000000000, 0.0002830000000000, 0.0000807700000000 ] - [ 0.0002366200000000, -0.0004338000000000, -0.0001373700000000 ] - [ 0.0024790500000000, -0.0088544700000000, 0.0017465300000000 ] - [ 0.0007000200000000, -0.0020978900000000, -0.0015269200000000 ] - [ -0.0000932100000000, 0.0013313500000000, 0.0001154900000000 ] - [ 0.0037593500000000, 0.0007283800000000, -0.0010185300000000 ] - [ 0.0000699100000000, -0.0001565700000000, 0.0000272800000000 ] - [ 0.0000190400000000, -0.0000039200000000, 0.0002205300000000 ] - [ -0.0000326900000000, -0.0001143900000000, -0.0001857700000000 ] - [ 0.0001306200000000, -0.0001536900000000, -0.0001810100000000 ] - [ -0.0001378700000000, -0.0001436300000000, 0.0003562800000000 ] - [ 0.0000858700000000, -0.0003038400000000, 0.0001421000000000 ] - [ 0.0003721600000000, 0.0005259800000000, 0.0003062700000000 ] - [ -0.0001760600000000, -0.0001737800000000, 0.0002569000000000 ] - [ -0.0001034500000000, 0.0001470100000000, -0.0001864800000000 ] - [ 0.0000320300000000, -0.0000912500000000, -0.0000398400000000 ] - [ -0.0009301200000000, -0.0010229800000000, 0.0003543900000000 ] - [ 0.0246765200000000, 0.0107956200000000, 0.0215982800000000 ] - [ 0.0000273200000000, 0.0001384100000000, -0.0000403900000000 ] - [ -0.0000627400000000, 0.0001789600000000, -0.0000840400000000 ] - [ 0.0002866000000000, -0.0001544400000000, 0.0002481200000000 ] - [ -0.0000230600000000, 0.0001251900000000, 0.0000716000000000 ] - [ -0.0004205000000000, 0.0002780100000000, 0.0014582000000000 ] - [ 0.0004628900000000, 0.0005538300000000, -0.0004195400000000 ] - [ 0.0001938400000000, -0.0001542200000000, 0.0002086600000000 ] - [ 0.0002795900000000, -0.0030707100000000, 0.0028106800000000 ] - [ 0.0001764000000000, 0.0000228400000000, 0.0000780500000000 ] - [ 0.0000779300000000, -0.0001409000000000, -0.0000650100000000 ] - [ -0.0000745900000000, 0.0000174900000000, 0.0001000400000000 ] - [ 0.0004537800000000, 0.0006792300000000, 0.0003732600000000 ] - [ 0.0128589500000000, -0.0053943700000000, 0.0008572300000000 ] - [ 0.0001507600000000, -0.0001417800000000, 0.0000975100000000 ] - [ -0.0005293500000000, -0.0002107900000000, -0.0001745800000000 ] - [ -0.0002499700000000, -0.0002144100000000, -0.0001542300000000 ] - [ 0.0000927000000000, 0.0001660700000000, -0.0002244000000000 ] - [ 0.0000903600000000, -0.0001473500000000, -0.0001380200000000 ] - [ -0.0025619500000000, 0.0010480700000000, -0.0008037200000000 ] - [ -0.0001724000000000, 0.0003521000000000, -0.0001945100000000 ] - [ -0.0000141500000000, -0.0000367000000000, 0.0000071700000000 ] - [ -0.0003497900000000, 0.0003029400000000, -0.0012605800000000 ] - [ 0.0001416700000000, -0.0001440000000000, -0.0004570600000000 ] - [ 0.0000145800000000, -0.0002333400000000, 0.0004914300000000 ] - [ 0.0010541500000000, -0.0002131900000000, 0.0021986600000000 ] - [ 0.0003004400000000, -0.0001260000000000, 0.0006236400000000 ] - [ 0.0000180600000000, -0.0006576600000000, 0.0000671900000000 ] - [ -0.0001183400000000, 0.0001593700000000, 0.0001672300000000 ] - [ -0.0001614100000000, 0.0003722900000000, -0.0001929900000000 ] - [ 0.0000687900000000, -0.0001810000000000, 0.0000182000000000 ] - [ 0.0034683200000000, 0.0001156400000000, -0.0008602800000000 ] - [ -0.0003013400000000, 0.0002148800000000, 0.0001531800000000 ] - [ 0.0005637500000000, 0.0000247700000000, 0.0006484200000000 ] - [ 0.0042568900000000, 0.0002492800000000, -0.0049326000000000 ] - [ -0.0013844500000000, -0.0015331900000000, 0.0010547000000000 ] - [ -0.0000770200000000, -0.0000581700000000, 0.0000564300000000 ] - [ 0.0001129100000000, 0.0007615200000000, -0.0000354900000000 ] - [ -0.0000943000000000, 0.0001508500000000, 0.0001110700000000 ] - [ -0.0003202800000000, 0.0002615500000000, 0.0002621200000000 ] - [ 0.0005398400000000, -0.0007998800000000, -0.0009802500000000 ] - [ -0.0000654700000000, 0.0000079900000000, -0.0002344100000000 ] - [ -0.0000721800000000, 0.0002503300000000, -0.0000161700000000 ] - [ -0.0000693700000000, -0.0002696300000000, -0.0000262200000000 ] - [ -0.0003518300000000, -0.0005027500000000, 0.0006806500000000 ] - [ -0.0000234800000000, -0.0001579800000000, -0.0001370100000000 ] - [ -0.0005774800000000, -0.0012429600000000, 0.0000090600000000 ] - [ 0.0001255200000000, -0.0001280200000000, -0.0001407800000000 ] - [ -0.0000049600000000, 0.0002304900000000, 0.0000642900000000 ] - [ 0.0001686600000000, 0.0002230300000000, 0.0002177900000000 ] - [ -0.0000930300000000, 0.0002620000000000, -0.0001855000000000 ]- atom: 2 displacement: [ -0.0099998398488412, 0.0000000000000000, 0.0000565950309369 ] forces: - [ -0.0788585800000000, 0.0030726100000000, 0.0316013500000000 ] - [ 0.1340793500000000, -0.0115403600000000, -0.0038066600000000 ] - [ -0.0001040800000000, -0.0002131400000000, -0.0002358000000000 ] - [ -0.0000236200000000, 0.0001601600000000, 0.0000652300000000 ] - [ -0.0000209000000000, 0.0000242000000000, 0.0000155500000000 ] - [ -0.0021124500000000, 0.0000521400000000, 0.0011865900000000 ] - [ -0.0001131400000000, 0.0001897900000000, 0.0000931200000000 ] - [ 0.0001795100000000, -0.0003322100000000, 0.0001490400000000 ] - [ -0.0000453700000000, 0.0002454300000000, 0.0003465200000000 ] - [ -0.0001799700000000, 0.0005212900000000, 0.0001879000000000 ] - [ 0.0000700000000000, 0.0000640100000000, -0.0001072200000000 ] - [ 0.0000297600000000, -0.0000909900000000, -0.0002243200000000 ] - [ 0.0000447700000000, 0.0001114100000000, -0.0005359100000000 ] - [ 0.0000399700000000, -0.0001514800000000, 0.0004514800000000 ] - [ -0.0037226600000000, 0.0012753400000000, -0.0044330800000000 ] - [ -0.0003153000000000, -0.0002172300000000, -0.0004523700000000 ] - [ 0.0000305900000000, 0.0002809500000000, -0.0000193500000000 ] - [ 0.0002371600000000, -0.0003624400000000, -0.0001901500000000 ] - [ -0.0023814500000000, 0.0088031300000000, -0.0018351300000000 ] - [ -0.0007289100000000, 0.0020370600000000, 0.0016199900000000 ] - [ 0.0002132600000000, -0.0010215400000000, -0.0000733800000000 ] - [ -0.0036878500000000, -0.0004959200000000, 0.0009288000000000 ] - [ 0.0000579100000000, -0.0001660100000000, 0.0000371700000000 ] - [ 0.0000992300000000, 0.0000019300000000, 0.0002545900000000 ] - [ -0.0000391200000000, -0.0001292300000000, -0.0001312000000000 ] - [ 0.0001008100000000, -0.0001641900000000, -0.0001640500000000 ] - [ 0.0002120100000000, -0.0000993000000000, -0.0000438700000000 ] - [ 0.0001739500000000, -0.0003107000000000, 0.0000626100000000 ] - [ -0.0007690900000000, -0.0009146200000000, -0.0007090600000000 ] - [ -0.0000560800000000, -0.0000919700000000, -0.0000277700000000 ] - [ -0.0001945200000000, 0.0001080300000000, -0.0000446100000000 ] - [ 0.0000351200000000, -0.0001302900000000, -0.0000399900000000 ] - [ 0.0006569500000000, 0.0003928400000000, -0.0005364100000000 ] - [ -0.0241681100000000, -0.0100904300000000, -0.0213301300000000 ] - [ -0.0001561800000000, 0.0001852400000000, -0.0000224200000000 ] - [ -0.0002812400000000, 0.0001611500000000, -0.0001177800000000 ] - [ 0.0000599300000000, -0.0001852400000000, -0.0000433900000000 ] - [ -0.0000454200000000, 0.0000969900000000, 0.0000094400000000 ] - [ 0.0003491500000000, -0.0004776600000000, -0.0013552400000000 ] - [ -0.0002407100000000, -0.0002937900000000, 0.0002007200000000 ] - [ 0.0002026900000000, -0.0002250900000000, 0.0001859200000000 ] - [ -0.0003896600000000, 0.0033651800000000, -0.0031101100000000 ] - [ -0.0000238700000000, 0.0001510100000000, 0.0000863200000000 ] - [ 0.0001299400000000, -0.0000956900000000, -0.0001368500000000 ] - [ 0.0001470900000000, -0.0003300600000000, 0.0001733800000000 ] - [ -0.0007849600000000, -0.0010073400000000, -0.0005578300000000 ] - [ -0.0130509600000000, 0.0055321300000000, -0.0006369500000000 ] - [ 0.0001475100000000, -0.0001127100000000, 0.0001364800000000 ] - [ 0.0001686000000000, -0.0004535900000000, -0.0001677900000000 ] - [ -0.0000482700000000, -0.0000323400000000, -0.0000783100000000 ] - [ 0.0000949100000000, 0.0001251800000000, -0.0000720900000000 ] - [ 0.0000946000000000, -0.0001387200000000, -0.0001480000000000 ] - [ 0.0023498300000000, -0.0007249600000000, 0.0002382200000000 ] - [ -0.0001822900000000, 0.0003187200000000, -0.0001431400000000 ] - [ 0.0000433500000000, 0.0000119700000000, -0.0001091500000000 ] - [ 0.0005151200000000, -0.0004704200000000, 0.0014668900000000 ] - [ -0.0002513500000000, 0.0001459700000000, -0.0000136000000000 ] - [ -0.0002064600000000, -0.0000558900000000, -0.0002026700000000 ] - [ -0.0007357100000000, 0.0005250700000000, -0.0020598200000000 ] - [ -0.0005310700000000, -0.0002007500000000, -0.0002802300000000 ] - [ -0.0004959200000000, -0.0001377300000000, 0.0002641700000000 ] - [ -0.0001134300000000, 0.0001573800000000, 0.0001783600000000 ] - [ -0.0001001300000000, 0.0002429600000000, -0.0000101000000000 ] - [ 0.0000292400000000, -0.0002119000000000, 0.0000528800000000 ] - [ -0.0033696900000000, -0.0002121700000000, 0.0006223800000000 ] - [ 0.0001456000000000, -0.0000441300000000, -0.0003179400000000 ] - [ -0.0002111300000000, 0.0006448600000000, -0.0002995000000000 ] - [ -0.0041579100000000, 0.0000008300000000, 0.0047489500000000 ] - [ 0.0014807400000000, 0.0019216500000000, -0.0009742200000000 ] - [ 0.0000813300000000, -0.0000361700000000, 0.0001565800000000 ] - [ 0.0003661400000000, 0.0000259400000000, -0.0002989900000000 ] - [ -0.0001137900000000, 0.0000864400000000, 0.0000927100000000 ] - [ 0.0004389600000000, -0.0008265900000000, -0.0002029200000000 ] - [ -0.0004468300000000, 0.0007905000000000, 0.0014458600000000 ] - [ -0.0000532200000000, -0.0000052600000000, -0.0002422000000000 ] - [ -0.0000255600000000, 0.0001424500000000, -0.0000538200000000 ] - [ -0.0000437500000000, -0.0002908800000000, -0.0000349600000000 ] - [ 0.0001407800000000, 0.0002558100000000, -0.0004601600000000 ] - [ -0.0000509200000000, -0.0001507800000000, -0.0001365200000000 ] - [ 0.0004743100000000, 0.0008496900000000, -0.0000648100000000 ] - [ 0.0001031600000000, -0.0001356500000000, -0.0000834700000000 ] - [ 0.0000777600000000, 0.0000120600000000, 0.0002524600000000 ] - [ 0.0000395100000000, 0.0001701800000000, 0.0002739100000000 ] - [ -0.0003090200000000, 0.0001179200000000, -0.0002101200000000 ]- atom: 2 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0018930300000000, 0.0130511100000000, -0.0010888800000000 ] - [ 0.0107900900000000, -0.1266824900000000, -0.0076059000000000 ] - [ -0.0001184600000000, -0.0001870500000000, -0.0002675900000000 ] - [ 0.0000608100000000, 0.0001844500000000, 0.0001506200000000 ] - [ 0.0000128200000000, 0.0000208000000000, -0.0000272100000000 ] - [ 0.0001801700000000, 0.0042542800000000, -0.0012575000000000 ] - [ -0.0000872000000000, 0.0001612700000000, 0.0001549100000000 ] - [ 0.0001698800000000, -0.0003318900000000, 0.0001547300000000 ] - [ -0.0001341300000000, 0.0002223500000000, 0.0000199700000000 ] - [ -0.0002434600000000, 0.0003846500000000, 0.0001695600000000 ] - [ 0.0000866000000000, 0.0000412100000000, -0.0001089200000000 ] - [ -0.0000313200000000, -0.0000399000000000, 0.0001094700000000 ] - [ 0.0000028800000000, 0.0003280000000000, 0.0002581600000000 ] - [ 0.0001134300000000, -0.0001452100000000, 0.0001423800000000 ] - [ 0.0016915500000000, -0.0002909300000000, 0.0004841600000000 ] - [ -0.0000693200000000, 0.0000280500000000, 0.0000258900000000 ] - [ 0.0000444300000000, 0.0003062600000000, -0.0000189900000000 ] - [ 0.0002621600000000, -0.0004752600000000, -0.0002137500000000 ] - [ -0.0046754900000000, -0.0001475300000000, 0.0023207500000000 ] - [ -0.0012470700000000, 0.0000905300000000, 0.0003299900000000 ] - [ -0.0001586900000000, 0.0003460900000000, 0.0005408200000000 ] - [ 0.0000671600000000, 0.0018326600000000, -0.0003281200000000 ] - [ 0.0000451700000000, -0.0001505600000000, 0.0000491300000000 ] - [ 0.0000723000000000, -0.0000083600000000, 0.0002175000000000 ] - [ -0.0000622700000000, -0.0001059000000000, -0.0001833600000000 ] - [ 0.0001073500000000, -0.0001642400000000, -0.0001803400000000 ] - [ 0.0002288900000000, -0.0003316300000000, 0.0003236500000000 ] - [ 0.0001258200000000, -0.0002744600000000, 0.0000797700000000 ] - [ 0.0004018100000000, 0.0002546000000000, 0.0004872500000000 ] - [ -0.0000571400000000, -0.0001863100000000, 0.0002453200000000 ] - [ -0.0001754600000000, 0.0000913600000000, -0.0001547000000000 ] - [ 0.0000263000000000, -0.0001176400000000, -0.0000346600000000 ] - [ -0.0003101100000000, -0.0002909200000000, 0.0004335000000000 ] - [ 0.0123357200000000, 0.0238487500000000, 0.0235102300000000 ] - [ -0.0000458900000000, 0.0001391900000000, -0.0000112600000000 ] - [ -0.0003130500000000, 0.0002128100000000, -0.0000802900000000 ] - [ 0.0001921000000000, -0.0001897600000000, 0.0000584100000000 ] - [ -0.0000181000000000, 0.0001120700000000, 0.0000157500000000 ] - [ -0.0001391400000000, 0.0001525500000000, 0.0005615200000000 ] - [ 0.0011688400000000, 0.0002716100000000, -0.0011886500000000 ] - [ 0.0002223100000000, -0.0001768200000000, 0.0002324600000000 ] - [ -0.0085745700000000, 0.0001959100000000, 0.0021229900000000 ] - [ 0.0000567800000000, 0.0002813300000000, 0.0001207200000000 ] - [ 0.0001295000000000, -0.0001074000000000, -0.0000994200000000 ] - [ 0.0000651600000000, -0.0002764300000000, 0.0001929400000000 ] - [ -0.0004248500000000, -0.0001402600000000, 0.0006806100000000 ] - [ -0.0111770200000000, 0.0769128200000000, -0.0222814600000000 ] - [ 0.0001715200000000, -0.0001073700000000, 0.0001293100000000 ] - [ -0.0001871300000000, -0.0002169200000000, -0.0001826200000000 ] - [ -0.0002535100000000, 0.0001540300000000, -0.0001809400000000 ] - [ 0.0000474300000000, 0.0005457400000000, 0.0000415000000000 ] - [ 0.0000976000000000, -0.0001622100000000, -0.0001663300000000 ] - [ -0.0007962600000000, 0.0029011800000000, 0.0034209600000000 ] - [ -0.0001681600000000, 0.0003358600000000, -0.0001693500000000 ] - [ 0.0000092800000000, -0.0000011500000000, 0.0000070400000000 ] - [ 0.0007163100000000, -0.0007366300000000, 0.0004568600000000 ] - [ 0.0008166200000000, 0.0000045700000000, 0.0003217300000000 ] - [ -0.0003587900000000, -0.0000987200000000, 0.0004730800000000 ] - [ -0.0016478500000000, 0.0028961400000000, -0.0044793300000000 ] - [ -0.0001350200000000, -0.0004158100000000, 0.0004968800000000 ] - [ -0.0001436800000000, -0.0000500500000000, 0.0004617200000000 ] - [ -0.0001405200000000, 0.0001905100000000, 0.0001604700000000 ] - [ -0.0001502800000000, 0.0002548400000000, -0.0001174600000000 ] - [ 0.0000597800000000, -0.0001975900000000, 0.0000645500000000 ] - [ 0.0008906200000000, -0.0001288300000000, -0.0003965200000000 ] - [ -0.0002456000000000, 0.0000280600000000, -0.0002640500000000 ] - [ 0.0003632600000000, 0.0002650700000000, 0.0001102300000000 ] - [ 0.0006487600000000, 0.0003801100000000, 0.0015709200000000 ] - [ -0.0017338400000000, -0.0012187400000000, 0.0007338200000000 ] - [ -0.0000315100000000, -0.0000544600000000, 0.0001105600000000 ] - [ 0.0004014200000000, 0.0002465600000000, -0.0007849000000000 ] - [ -0.0001210000000000, 0.0000972400000000, 0.0000801200000000 ] - [ 0.0006254900000000, 0.0012844500000000, -0.0006671000000000 ] - [ -0.0004491600000000, 0.0002852400000000, 0.0009644100000000 ] - [ -0.0000453400000000, -0.0000092500000000, -0.0002121100000000 ] - [ -0.0000612500000000, 0.0001978700000000, -0.0000215800000000 ] - [ -0.0000349300000000, -0.0002895500000000, -0.0000032900000000 ] - [ -0.0003403600000000, 0.0001461700000000, -0.0000489200000000 ] - [ -0.0000414000000000, -0.0001847600000000, -0.0001327400000000 ] - [ -0.0003931000000000, 0.0003889700000000, -0.0008763100000000 ] - [ 0.0000923900000000, -0.0001405200000000, -0.0001755700000000 ] - [ 0.0000831900000000, 0.0000913000000000, 0.0001602000000000 ] - [ 0.0001011900000000, 0.0002018300000000, 0.0002537800000000 ] - [ -0.0001365100000000, 0.0002130800000000, -0.0002011400000000 ]- atom: 2 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0013272800000000, -0.0128007400000000, 0.0014277600000000 ] - [ -0.0119657300000000, 0.1305214500000000, 0.0062185600000000 ] - [ -0.0001052400000000, -0.0002071300000000, -0.0002260400000000 ] - [ 0.0000124100000000, 0.0001316100000000, 0.0001073600000000 ] - [ -0.0000483600000000, 0.0000050000000000, 0.0001310700000000 ] - [ -0.0003149400000000, -0.0036774000000000, 0.0012117100000000 ] - [ -0.0000922900000000, 0.0001222800000000, 0.0001330300000000 ] - [ 0.0001733200000000, -0.0003331300000000, 0.0001818500000000 ] - [ -0.0001046900000000, 0.0000548300000000, 0.0002082700000000 ] - [ -0.0002421500000000, 0.0004185200000000, 0.0001716900000000 ] - [ -0.0000930500000000, 0.0000400300000000, -0.0001230200000000 ] - [ -0.0000892200000000, -0.0002717800000000, -0.0001807800000000 ] - [ -0.0000697600000000, -0.0000985600000000, -0.0005878500000000 ] - [ 0.0001104000000000, -0.0002516400000000, 0.0003511400000000 ] - [ -0.0015062500000000, 0.0008970300000000, -0.0003581500000000 ] - [ -0.0000645000000000, -0.0002034000000000, -0.0001703600000000 ] - [ 0.0000641400000000, 0.0002572700000000, 0.0000635100000000 ] - [ 0.0002246600000000, -0.0003274200000000, -0.0001262200000000 ] - [ 0.0047838100000000, 0.0001517000000000, -0.0024642100000000 ] - [ 0.0012114100000000, -0.0001035300000000, -0.0002056100000000 ] - [ 0.0002710600000000, -0.0000270200000000, -0.0004592400000000 ] - [ -0.0000312200000000, -0.0016055800000000, 0.0002614300000000 ] - [ 0.0000668100000000, -0.0001576600000000, 0.0000213600000000 ] - [ 0.0000521100000000, 0.0000025100000000, 0.0002544300000000 ] - [ -0.0000140600000000, -0.0001236300000000, -0.0001424700000000 ] - [ 0.0001275100000000, -0.0001504500000000, -0.0001673400000000 ] - [ -0.0001542100000000, 0.0001011500000000, 0.0000183000000000 ] - [ 0.0001287600000000, -0.0003276000000000, 0.0001239500000000 ] - [ -0.0007925500000000, -0.0006347900000000, -0.0009062000000000 ] - [ -0.0001837800000000, -0.0000920200000000, -0.0000115900000000 ] - [ -0.0001318000000000, 0.0001702900000000, -0.0000741600000000 ] - [ 0.0000357000000000, -0.0001036200000000, -0.0000292500000000 ] - [ 0.0000574400000000, -0.0003032300000000, -0.0006414100000000 ] - [ -0.0116848800000000, -0.0232988300000000, -0.0231791200000000 ] - [ -0.0000659400000000, 0.0001682000000000, -0.0000598800000000 ] - [ -0.0000390700000000, 0.0001369400000000, -0.0001103900000000 ] - [ 0.0001611100000000, -0.0001611300000000, 0.0001303100000000 ] - [ -0.0000439700000000, 0.0001100700000000, 0.0000487000000000 ] - [ 0.0000865300000000, -0.0003718000000000, -0.0004973600000000 ] - [ -0.0009393800000000, -0.0000214200000000, 0.0010181300000000 ] - [ 0.0001641700000000, -0.0002006500000000, 0.0001781800000000 ] - [ 0.0084842700000000, 0.0001327200000000, -0.0023673300000000 ] - [ 0.0000845800000000, -0.0001002100000000, 0.0000251000000000 ] - [ 0.0000883200000000, -0.0001346700000000, -0.0001107500000000 ] - [ 0.0000123900000000, -0.0000370800000000, 0.0000683700000000 ] - [ 0.0000676300000000, -0.0002115300000000, -0.0008740200000000 ] - [ 0.0120295800000000, -0.0804895300000000, 0.0236155000000000 ] - [ 0.0001372900000000, -0.0001545000000000, 0.0000987400000000 ] - [ -0.0001510700000000, -0.0004508800000000, -0.0001579600000000 ] - [ -0.0000656400000000, -0.0004157200000000, -0.0000529600000000 ] - [ 0.0001329200000000, -0.0002644700000000, -0.0003369000000000 ] - [ 0.0000816400000000, -0.0001228200000000, -0.0001224000000000 ] - [ 0.0006363300000000, -0.0024588000000000, -0.0038781800000000 ] - [ -0.0001746800000000, 0.0003284700000000, -0.0001671500000000 ] - [ 0.0000263000000000, -0.0000247200000000, -0.0001093100000000 ] - [ -0.0005789500000000, 0.0005654100000000, -0.0003368300000000 ] - [ -0.0009418600000000, -0.0000165600000000, -0.0008080000000000 ] - [ 0.0001778200000000, -0.0001954500000000, -0.0001828100000000 ] - [ 0.0020281600000000, -0.0026939900000000, 0.0047298500000000 ] - [ -0.0001031000000000, 0.0000997300000000, -0.0001509300000000 ] - [ -0.0003306900000000, -0.0007417600000000, -0.0001145800000000 ] - [ -0.0000940900000000, 0.0001241900000000, 0.0001866400000000 ] - [ -0.0001051700000000, 0.0003471900000000, -0.0000862500000000 ] - [ 0.0000416000000000, -0.0001983800000000, 0.0000092500000000 ] - [ -0.0009135600000000, 0.0000568600000000, 0.0001645700000000 ] - [ 0.0001002500000000, 0.0001506800000000, 0.0001117400000000 ] - [ -0.0000341000000000, 0.0003838600000000, 0.0002266900000000 ] - [ -0.0003879700000000, -0.0001328500000000, -0.0018595800000000 ] - [ 0.0018504800000000, 0.0016181900000000, -0.0006549200000000 ] - [ 0.0000360200000000, -0.0000283700000000, 0.0001232100000000 ] - [ 0.0000781400000000, 0.0005577000000000, 0.0004370900000000 ] - [ -0.0000966000000000, 0.0001440700000000, 0.0001289700000000 ] - [ -0.0005146900000000, -0.0018129800000000, 0.0006914200000000 ] - [ 0.0005643100000000, -0.0002854800000000, -0.0004882100000000 ] - [ -0.0000783900000000, 0.0000144300000000, -0.0002597700000000 ] - [ -0.0000401300000000, 0.0001979000000000, -0.0000518300000000 ] - [ -0.0000754800000000, -0.0002751000000000, -0.0000417100000000 ] - [ 0.0001250200000000, -0.0003806000000000, 0.0002491000000000 ] - [ -0.0000324000000000, -0.0001322500000000, -0.0001261300000000 ] - [ 0.0002987600000000, -0.0007547400000000, 0.0007916400000000 ] - [ 0.0001435600000000, -0.0001359100000000, -0.0000560700000000 ] - [ -0.0000064300000000, 0.0001365900000000, 0.0001647300000000 ] - [ 0.0001219300000000, 0.0001926500000000, 0.0002392400000000 ] - [ -0.0002493600000000, 0.0001639900000000, -0.0002073300000000 ]- atom: 2 displacement: [ -0.0027030911372206, 0.0000000000000000, 0.0096277358866911 ] forces: - [ -0.0346023300000000, -0.0010385300000000, 0.0257016600000000 ] - [ 0.0384247800000000, -0.0100510400000000, -0.0875946200000000 ] - [ -0.0001084400000000, -0.0001919200000000, -0.0002650800000000 ] - [ 0.0000177300000000, 0.0001470500000000, 0.0000968400000000 ] - [ -0.0000485900000000, 0.0000303900000000, 0.0001102400000000 ] - [ -0.0012546900000000, -0.0006354800000000, 0.0007166100000000 ] - [ -0.0001206600000000, 0.0001930400000000, 0.0001180700000000 ] - [ 0.0001659700000000, -0.0003359700000000, 0.0001576100000000 ] - [ 0.0000914000000000, 0.0001605000000000, 0.0007392200000000 ] - [ -0.0001991700000000, 0.0004641900000000, 0.0002861200000000 ] - [ -0.0000721900000000, 0.0000961100000000, -0.0001687100000000 ] - [ -0.0000537000000000, -0.0002904100000000, -0.0001361600000000 ] - [ -0.0004321400000000, 0.0003633400000000, 0.0002573700000000 ] - [ 0.0000932800000000, -0.0001846900000000, 0.0005499100000000 ] - [ 0.0057874100000000, -0.0044140800000000, 0.0058127800000000 ] - [ -0.0013699000000000, -0.0000015700000000, 0.0000518900000000 ] - [ 0.0000634800000000, 0.0003316800000000, -0.0001119300000000 ] - [ 0.0002654600000000, -0.0003402800000000, -0.0001665500000000 ] - [ 0.0014721500000000, 0.0056541000000000, -0.0025828500000000 ] - [ -0.0020759600000000, 0.0011675900000000, 0.0036875100000000 ] - [ 0.0001447700000000, -0.0005856700000000, 0.0001300800000000 ] - [ -0.0018851000000000, -0.0001684900000000, 0.0014099900000000 ] - [ 0.0000582400000000, -0.0001660900000000, 0.0000411700000000 ] - [ 0.0000066600000000, 0.0000109600000000, 0.0002160700000000 ] - [ -0.0000433500000000, -0.0001185400000000, -0.0001433100000000 ] - [ 0.0001255200000000, -0.0001528200000000, -0.0001833400000000 ] - [ 0.0002489900000000, -0.0001119000000000, 0.0002825400000000 ] - [ 0.0001421700000000, -0.0003067700000000, 0.0000747600000000 ] - [ 0.0000653000000000, 0.0000759100000000, 0.0006531200000000 ] - [ -0.0000928900000000, -0.0001655300000000, 0.0002580000000000 ] - [ -0.0002270200000000, 0.0001625400000000, 0.0000402200000000 ] - [ 0.0000296500000000, -0.0001384500000000, -0.0000420400000000 ] - [ -0.0001062800000000, 0.0003877000000000, 0.0004896500000000 ] - [ 0.0088606400000000, 0.0119907600000000, 0.0234020900000000 ] - [ -0.0001317800000000, 0.0002248000000000, -0.0000302500000000 ] - [ -0.0000142000000000, 0.0001475600000000, -0.0000670200000000 ] - [ 0.0000976300000000, -0.0001590000000000, 0.0000633400000000 ] - [ -0.0000470100000000, 0.0001213700000000, -0.0000080800000000 ] - [ 0.0000660800000000, -0.0003383400000000, -0.0003787100000000 ] - [ 0.0001410900000000, 0.0012752700000000, 0.0019463000000000 ] - [ 0.0001985200000000, -0.0001875200000000, 0.0001921900000000 ] - [ 0.0013511500000000, 0.0033161500000000, -0.0034956000000000 ] - [ -0.0000052700000000, 0.0001193800000000, 0.0000222800000000 ] - [ 0.0001083000000000, -0.0001195800000000, -0.0001298900000000 ] - [ -0.0000159600000000, -0.0001885500000000, -0.0004125200000000 ] - [ 0.0001331500000000, -0.0001699800000000, -0.0008506800000000 ] - [ -0.0049405600000000, -0.0074643400000000, 0.0130890000000000 ] - [ 0.0001281200000000, -0.0001391700000000, 0.0001064300000000 ] - [ 0.0002814300000000, -0.0002555300000000, -0.0003422400000000 ] - [ -0.0001616500000000, -0.0001662300000000, -0.0007227100000000 ] - [ -0.0003251500000000, 0.0003844000000000, -0.0004342100000000 ] - [ 0.0000912800000000, -0.0001466400000000, -0.0001403300000000 ] - [ -0.0040305100000000, 0.0049447600000000, 0.0079765900000000 ] - [ -0.0001480400000000, 0.0003184500000000, -0.0001184900000000 ] - [ -0.0000077600000000, -0.0000083900000000, -0.0000974100000000 ] - [ 0.0020964800000000, 0.0004446100000000, 0.0034216900000000 ] - [ -0.0002734100000000, 0.0003821800000000, -0.0004326500000000 ] - [ -0.0001503700000000, -0.0006051800000000, 0.0003224200000000 ] - [ 0.0029936700000000, -0.0042286800000000, 0.0010890500000000 ] - [ -0.0003209100000000, -0.0003846700000000, 0.0000065900000000 ] - [ -0.0003645100000000, 0.0000260600000000, 0.0003438300000000 ] - [ -0.0002036600000000, 0.0002138400000000, 0.0002049000000000 ] - [ -0.0001033000000000, 0.0002132600000000, -0.0000960600000000 ] - [ 0.0000553700000000, -0.0001955800000000, 0.0000379200000000 ] - [ -0.0022077000000000, -0.0001127400000000, -0.0002289800000000 ] - [ 0.0000771400000000, 0.0000021800000000, -0.0002379400000000 ] - [ 0.0001969100000000, -0.0003228400000000, 0.0012137400000000 ] - [ -0.0084463500000000, 0.0011515300000000, 0.0039085300000000 ] - [ 0.0010830500000000, 0.0015472800000000, -0.0019626700000000 ] - [ 0.0000469700000000, -0.0000374500000000, 0.0001690500000000 ] - [ 0.0004903200000000, 0.0000230700000000, -0.0000683900000000 ] - [ -0.0000827900000000, 0.0001155100000000, 0.0001197900000000 ] - [ 0.0001752400000000, -0.0013325900000000, -0.0007108100000000 ] - [ -0.0016569000000000, 0.0005638300000000, 0.0018198500000000 ] - [ -0.0000506200000000, -0.0000110000000000, -0.0002536100000000 ] - [ -0.0000521300000000, 0.0001825300000000, -0.0000462800000000 ] - [ -0.0000555000000000, -0.0002920100000000, -0.0000359000000000 ] - [ 0.0003667800000000, -0.0002424900000000, -0.0001411100000000 ] - [ -0.0000458300000000, -0.0001537200000000, -0.0001098200000000 ] - [ 0.0003427700000000, -0.0003791400000000, 0.0014728300000000 ] - [ 0.0000669900000000, -0.0001363600000000, -0.0000860700000000 ] - [ 0.0001195100000000, -0.0000266400000000, 0.0002928100000000 ] - [ 0.0001995800000000, 0.0000786200000000, 0.0003727300000000 ] - [ -0.0004368400000000, 0.0001700900000000, -0.0004424000000000 ]- atom: 2 displacement: [ 0.0027030911372206, 0.0000000000000000, -0.0096277358866911 ] forces: - [ 0.0340112100000000, 0.0014813700000000, -0.0253262800000000 ] - [ -0.0374766600000000, 0.0094283600000000, 0.0876865900000000 ] - [ -0.0001065700000000, -0.0002096300000000, -0.0002236500000000 ] - [ 0.0000545000000000, 0.0001653200000000, 0.0001587000000000 ] - [ 0.0000173200000000, -0.0000104700000000, -0.0000248300000000 ] - [ 0.0011607600000000, 0.0012216900000000, -0.0007677300000000 ] - [ -0.0000612300000000, 0.0000853000000000, 0.0001656200000000 ] - [ 0.0001799700000000, -0.0003287600000000, 0.0001800800000000 ] - [ -0.0003278200000000, 0.0001044600000000, -0.0005035900000000 ] - [ -0.0002716500000000, 0.0003415000000000, 0.0000500100000000 ] - [ 0.0000657900000000, -0.0000055200000000, -0.0000562800000000 ] - [ -0.0000680500000000, -0.0000259200000000, 0.0000720100000000 ] - [ 0.0003635300000000, -0.0001297900000000, -0.0005768900000000 ] - [ 0.0001222900000000, -0.0002161900000000, -0.0000656800000000 ] - [ -0.0054920400000000, 0.0049945900000000, -0.0055633000000000 ] - [ 0.0011931000000000, -0.0001592200000000, -0.0002081400000000 ] - [ 0.0000459900000000, 0.0002304900000000, 0.0001606100000000 ] - [ 0.0002069200000000, -0.0004675700000000, -0.0001645100000000 ] - [ -0.0014140200000000, -0.0056842000000000, 0.0025233100000000 ] - [ 0.0020238000000000, -0.0012013700000000, -0.0036465200000000 ] - [ -0.0000285600000000, 0.0008968900000000, -0.0000621700000000 ] - [ 0.0019511400000000, 0.0004189800000000, -0.0014929600000000 ] - [ 0.0000633300000000, -0.0001503900000000, 0.0000251600000000 ] - [ 0.0001181700000000, -0.0000211300000000, 0.0002531000000000 ] - [ -0.0000260300000000, -0.0001195300000000, -0.0001748800000000 ] - [ 0.0001005600000000, -0.0001624500000000, -0.0001584600000000 ] - [ -0.0001863100000000, -0.0001209300000000, 0.0000254400000000 ] - [ 0.0001146700000000, -0.0002999300000000, 0.0001295700000000 ] - [ -0.0004497300000000, -0.0004532100000000, -0.0010638100000000 ] - [ -0.0001463300000000, -0.0000986000000000, -0.0000317200000000 ] - [ -0.0000696500000000, 0.0000962100000000, -0.0002848300000000 ] - [ 0.0000360000000000, -0.0000834700000000, -0.0000252800000000 ] - [ -0.0001291600000000, -0.0010119900000000, -0.0007231500000000 ] - [ -0.0081864800000000, -0.0112335700000000, -0.0234822900000000 ] - [ 0.0000095400000000, 0.0000925300000000, -0.0000347600000000 ] - [ -0.0003346400000000, 0.0001965200000000, -0.0001303200000000 ] - [ 0.0002528100000000, -0.0001852800000000, 0.0001318400000000 ] - [ -0.0000199600000000, 0.0001004200000000, 0.0000769200000000 ] - [ -0.0001340600000000, 0.0001250400000000, 0.0004421100000000 ] - [ 0.0000841700000000, -0.0010062900000000, -0.0021492600000000 ] - [ 0.0001927100000000, -0.0001955500000000, 0.0002122100000000 ] - [ -0.0014519700000000, -0.0030177600000000, 0.0032422200000000 ] - [ 0.0001633400000000, 0.0000465400000000, 0.0001346200000000 ] - [ 0.0001046800000000, -0.0001243000000000, -0.0000783000000000 ] - [ 0.0000862900000000, -0.0001246300000000, 0.0006788500000000 ] - [ -0.0005000100000000, -0.0001843900000000, 0.0006713500000000 ] - [ 0.0048775200000000, 0.0078891000000000, -0.0131450700000000 ] - [ 0.0001687400000000, -0.0001188100000000, 0.0001403400000000 ] - [ -0.0006352200000000, -0.0004104800000000, 0.0000059600000000 ] - [ -0.0001383700000000, -0.0000937400000000, 0.0004853700000000 ] - [ 0.0005133800000000, -0.0001084600000000, 0.0001466900000000 ] - [ 0.0000891700000000, -0.0001319100000000, -0.0001431100000000 ] - [ 0.0037867200000000, -0.0044585000000000, -0.0083585600000000 ] - [ -0.0001985800000000, 0.0003460200000000, -0.0002182200000000 ] - [ 0.0000390200000000, -0.0000129300000000, 0.0000087700000000 ] - [ -0.0019358600000000, -0.0005776000000000, -0.0032177600000000 ] - [ 0.0001543800000000, -0.0003932400000000, -0.0000412400000000 ] - [ -0.0000266500000000, 0.0003393400000000, -0.0000433200000000 ] - [ -0.0026132800000000, 0.0045422500000000, -0.0008881500000000 ] - [ 0.0000936200000000, 0.0000704400000000, 0.0003369900000000 ] - [ -0.0001057600000000, -0.0008387900000000, -0.0000127900000000 ] - [ -0.0000220300000000, 0.0001018700000000, 0.0001359000000000 ] - [ -0.0001534700000000, 0.0003946000000000, -0.0001092000000000 ] - [ 0.0000459000000000, -0.0001958100000000, 0.0000469300000000 ] - [ 0.0022505200000000, 0.0000134800000000, 0.0000063900000000 ] - [ -0.0002365100000000, 0.0001614700000000, 0.0000814600000000 ] - [ 0.0001369400000000, 0.0009842000000000, -0.0008789900000000 ] - [ 0.0085565500000000, -0.0008743900000000, -0.0040999000000000 ] - [ -0.0009864100000000, -0.0011614700000000, 0.0020540000000000 ] - [ -0.0000415600000000, -0.0000512600000000, 0.0000589600000000 ] - [ -0.0000231500000000, 0.0007806000000000, -0.0002574000000000 ] - [ -0.0001304900000000, 0.0001271100000000, 0.0000882700000000 ] - [ -0.0000694400000000, 0.0007863000000000, 0.0007692200000000 ] - [ 0.0018227900000000, -0.0005527600000000, -0.0013661200000000 ] - [ -0.0000774700000000, 0.0000225100000000, -0.0002172500000000 ] - [ -0.0000494900000000, 0.0002089400000000, -0.0000382700000000 ] - [ -0.0000564200000000, -0.0002668900000000, -0.0000170800000000 ] - [ -0.0005853400000000, 0.0000025900000000, 0.0003525300000000 ] - [ -0.0000280700000000, -0.0001586600000000, -0.0001458700000000 ] - [ -0.0004415800000000, -0.0000288500000000, -0.0015594500000000 ] - [ 0.0001733700000000, -0.0001281100000000, -0.0001404800000000 ] - [ -0.0000493000000000, 0.0002635800000000, 0.0000245500000000 ] - [ 0.0000164100000000, 0.0003212800000000, 0.0001163000000000 ] - [ 0.0000377500000000, 0.0002127800000000, 0.0000388900000000 ]- atom: 3 displacement: [ 0.0099998398488412, 0.0000000000000000, -0.0000565950309369 ] forces: - [ 0.0001843100000000, 0.0001967500000000, 0.0002178300000000 ] - [ 0.0001614700000000, 0.0001362500000000, 0.0001134400000000 ] - [ -0.1171386700000000, -0.0045816000000000, 0.0086384600000000 ] - [ -0.0000395100000000, 0.0000787600000000, 0.0003353900000000 ] - [ -0.0004685000000000, 0.0003329600000000, -0.0000786500000000 ] - [ -0.0000498000000000, 0.0002729100000000, -0.0000133100000000 ] - [ -0.0000134900000000, 0.0001249600000000, 0.0001539800000000 ] - [ 0.0003038600000000, -0.0000500300000000, 0.0008756100000000 ] - [ -0.0001330400000000, -0.0000642300000000, -0.0000728500000000 ] - [ -0.0002021800000000, 0.0004552600000000, 0.0001173900000000 ] - [ 0.0000133000000000, 0.0000852800000000, -0.0000502200000000 ] - [ 0.0000752100000000, -0.0002173200000000, 0.0000047400000000 ] - [ -0.0000360300000000, 0.0001045300000000, -0.0001667500000000 ] - [ 0.0005671300000000, -0.0001227000000000, 0.0004841500000000 ] - [ 0.0001192700000000, 0.0002943400000000, 0.0000975000000000 ] - [ -0.0000318800000000, -0.0000775400000000, -0.0000436800000000 ] - [ -0.0000803200000000, 0.0001954900000000, 0.0001575600000000 ] - [ -0.0013200900000000, -0.0016911600000000, 0.0000032500000000 ] - [ 0.0000089700000000, 0.0000184400000000, -0.0000467900000000 ] - [ -0.0000382400000000, -0.0000029400000000, 0.0000330900000000 ] - [ 0.0000506200000000, 0.0001469400000000, 0.0000421100000000 ] - [ 0.0000406800000000, 0.0001267800000000, -0.0000442200000000 ] - [ 0.0194343900000000, 0.0104571400000000, 0.0131883500000000 ] - [ 0.0003337200000000, -0.0001191000000000, 0.0004082700000000 ] - [ 0.0028798200000000, 0.0063360300000000, 0.0025601900000000 ] - [ 0.0476504100000000, 0.0191027200000000, -0.0415504200000000 ] - [ -0.0000117500000000, -0.0001685300000000, 0.0001470900000000 ] - [ 0.0041191000000000, 0.0002332400000000, -0.0006676500000000 ] - [ -0.0003068100000000, -0.0001656300000000, -0.0002561500000000 ] - [ -0.0000552300000000, -0.0002254700000000, 0.0002577500000000 ] - [ -0.0000970000000000, 0.0001408700000000, -0.0001122800000000 ] - [ -0.0002447200000000, 0.0002544500000000, -0.0000766200000000 ] - [ -0.0002041000000000, -0.0003548300000000, -0.0001292500000000 ] - [ 0.0001199200000000, 0.0001485900000000, -0.0001740600000000 ] - [ 0.0000488700000000, 0.0001252900000000, -0.0000334600000000 ] - [ -0.0001051800000000, 0.0001386300000000, -0.0003565300000000 ] - [ -0.0012280200000000, -0.0005948700000000, 0.0008523200000000 ] - [ -0.0000104000000000, 0.0001729600000000, 0.0000279300000000 ] - [ -0.0000117700000000, -0.0000444300000000, 0.0001128000000000 ] - [ 0.0001191500000000, 0.0001414800000000, -0.0001189000000000 ] - [ 0.0049814000000000, -0.0029365800000000, 0.0111090500000000 ] - [ -0.0000326900000000, 0.0001485600000000, -0.0001265700000000 ] - [ 0.0079624400000000, -0.0017629700000000, -0.0019627200000000 ] - [ 0.0003548800000000, -0.0001108900000000, -0.0004262200000000 ] - [ 0.0000944600000000, -0.0001240000000000, 0.0001198100000000 ] - [ -0.0001634400000000, -0.0001798200000000, -0.0001676900000000 ] - [ 0.0000110500000000, 0.0000352200000000, 0.0001515000000000 ] - [ -0.0023278100000000, 0.0005888100000000, -0.0046970500000000 ] - [ -0.0003613800000000, -0.0003448700000000, -0.0003011600000000 ] - [ -0.0000956000000000, -0.0001529400000000, -0.0000017200000000 ] - [ 0.0000851900000000, 0.0001405600000000, -0.0001511200000000 ] - [ 0.0016684000000000, 0.0008730200000000, -0.0016966500000000 ] - [ -0.0001373800000000, 0.0001918600000000, -0.0002500000000000 ] - [ -0.0001897800000000, 0.0003523600000000, -0.0001867100000000 ] - [ 0.0001577000000000, 0.0000549500000000, -0.0001671200000000 ] - [ 0.0000654300000000, -0.0001010100000000, 0.0000673400000000 ] - [ -0.0000602300000000, -0.0000128100000000, -0.0002340500000000 ] - [ -0.0000162600000000, -0.0001463900000000, 0.0002437300000000 ] - [ 0.0001832200000000, 0.0001747000000000, 0.0000724500000000 ] - [ -0.0001613000000000, -0.0001185900000000, 0.0002445000000000 ] - [ -0.0004978500000000, -0.0003196500000000, -0.0001297200000000 ] - [ -0.0002423500000000, 0.0002486300000000, 0.0001202100000000 ] - [ 0.0001460100000000, 0.0001773300000000, -0.0001783700000000 ] - [ 0.0002480300000000, -0.0001840700000000, 0.0002384400000000 ] - [ -0.0000158900000000, -0.0001064100000000, -0.0001909100000000 ] - [ -0.0002418000000000, 0.0005091200000000, -0.0001206200000000 ] - [ 0.0001637000000000, 0.0003336300000000, 0.0001803500000000 ] - [ 0.0001286100000000, 0.0001472400000000, -0.0001312300000000 ] - [ 0.0000414000000000, 0.0001944000000000, 0.0000447900000000 ] - [ 0.0006335800000000, -0.0015107100000000, 0.0004619100000000 ] - [ 0.0002532200000000, 0.0004142100000000, -0.0001692500000000 ] - [ -0.0001483600000000, 0.0001584000000000, 0.0001609300000000 ] - [ 0.0001330500000000, -0.0002233800000000, 0.0000575800000000 ] - [ -0.0000357500000000, 0.0001231100000000, 0.0002083800000000 ] - [ 0.0005378200000000, 0.0008452400000000, 0.0000745100000000 ] - [ -0.0000827500000000, 0.0003622900000000, 0.0002498200000000 ] - [ -0.0002718700000000, -0.0003017300000000, 0.0004248500000000 ] - [ -0.0000545300000000, -0.0002614700000000, 0.0001809700000000 ] - [ 0.0029447400000000, -0.0016005800000000, 0.0038749600000000 ] - [ -0.0000847300000000, -0.0001846300000000, -0.0000307100000000 ] - [ 0.0299767000000000, -0.0273730200000000, 0.0080303000000000 ] - [ 0.0000745400000000, 0.0001121300000000, 0.0001204900000000 ] - [ 0.0001816300000000, 0.0000932800000000, 0.0004001200000000 ] - [ -0.0002089500000000, 0.0004368100000000, -0.0003549000000000 ]- atom: 3 displacement: [ -0.0099998398488412, 0.0000000000000000, 0.0000565950309369 ] forces: - [ 0.0001955300000000, 0.0001797600000000, 0.0002111400000000 ] - [ 0.0001559300000000, 0.0001323900000000, 0.0001153900000000 ] - [ 0.1165100300000000, 0.0024529300000000, -0.0071916200000000 ] - [ 0.0001114000000000, 0.0002473100000000, -0.0000952600000000 ] - [ 0.0004398900000000, -0.0003067900000000, 0.0001698100000000 ] - [ -0.0000568700000000, 0.0002927200000000, -0.0000108400000000 ] - [ -0.0001574900000000, 0.0001567400000000, 0.0001384200000000 ] - [ 0.0000284100000000, -0.0006165100000000, -0.0005551200000000 ] - [ -0.0001119400000000, 0.0003573800000000, 0.0003163700000000 ] - [ -0.0002947600000000, 0.0003570500000000, 0.0002365700000000 ] - [ -0.0000206600000000, -0.0000148700000000, -0.0002069700000000 ] - [ -0.0001708100000000, -0.0000722100000000, -0.0000767800000000 ] - [ -0.0000458500000000, 0.0001093200000000, -0.0001656200000000 ] - [ -0.0003164500000000, -0.0002672400000000, 0.0000196000000000 ] - [ 0.0001271600000000, 0.0002876300000000, 0.0001008200000000 ] - [ -0.0001044700000000, -0.0001050600000000, -0.0000847300000000 ] - [ 0.0001848800000000, 0.0003696600000000, -0.0001353000000000 ] - [ 0.0018069800000000, 0.0008836400000000, -0.0003680000000000 ] - [ 0.0000292300000000, 0.0000063000000000, -0.0000449900000000 ] - [ 0.0000017700000000, -0.0000226700000000, 0.0000550900000000 ] - [ 0.0000422000000000, 0.0001433000000000, 0.0000340000000000 ] - [ 0.0000180600000000, 0.0000983100000000, -0.0000006500000000 ] - [ -0.0193326700000000, -0.0109869800000000, -0.0133867400000000 ] - [ -0.0002013000000000, 0.0001033400000000, 0.0000559900000000 ] - [ -0.0029818300000000, -0.0066116900000000, -0.0028867600000000 ] - [ -0.0462748700000000, -0.0186474000000000, 0.0398113700000000 ] - [ 0.0000956000000000, -0.0000400200000000, 0.0001872800000000 ] - [ -0.0037878700000000, -0.0008199700000000, 0.0008020500000000 ] - [ -0.0000711400000000, -0.0002118700000000, -0.0001704400000000 ] - [ -0.0001892600000000, -0.0000641600000000, -0.0000215900000000 ] - [ -0.0002190300000000, 0.0001275500000000, -0.0001146900000000 ] - [ 0.0003015200000000, -0.0004772700000000, 0.0000312000000000 ] - [ -0.0000428900000000, -0.0002278300000000, -0.0000741900000000 ] - [ 0.0001167900000000, 0.0001597100000000, -0.0001764700000000 ] - [ -0.0001411100000000, 0.0001660400000000, -0.0000431600000000 ] - [ -0.0002617500000000, 0.0002256800000000, 0.0001791300000000 ] - [ 0.0015735200000000, 0.0002219700000000, -0.0006794000000000 ] - [ -0.0000464000000000, 0.0000549600000000, 0.0000182100000000 ] - [ -0.0000466500000000, -0.0001815100000000, -0.0000689700000000 ] - [ 0.0001117400000000, 0.0001119100000000, -0.0001069400000000 ] - [ -0.0046102700000000, 0.0026076200000000, -0.0107080700000000 ] - [ -0.0000372900000000, 0.0001749900000000, -0.0001131900000000 ] - [ -0.0079232800000000, 0.0020085900000000, 0.0020850600000000 ] - [ -0.0001172000000000, -0.0001461800000000, 0.0002089500000000 ] - [ -0.0000260200000000, -0.0002019900000000, 0.0001197100000000 ] - [ -0.0002073300000000, -0.0001860300000000, -0.0000007200000000 ] - [ -0.0000041600000000, 0.0000371400000000, 0.0001062100000000 ] - [ 0.0026268500000000, -0.0008677200000000, 0.0049111800000000 ] - [ 0.0000348100000000, -0.0003116300000000, -0.0000302300000000 ] - [ -0.0002203400000000, -0.0001143900000000, -0.0002275700000000 ] - [ 0.0000842800000000, 0.0001398400000000, -0.0001417000000000 ] - [ -0.0015114200000000, -0.0011548200000000, 0.0014090000000000 ] - [ -0.0001058100000000, 0.0001972400000000, -0.0002459400000000 ] - [ -0.0001363100000000, 0.0003039300000000, -0.0001445500000000 ] - [ -0.0001098600000000, -0.0000794100000000, 0.0000674000000000 ] - [ 0.0000708200000000, -0.0000826600000000, 0.0000608200000000 ] - [ -0.0000745400000000, -0.0000026200000000, -0.0002298600000000 ] - [ -0.0001525200000000, -0.0001343000000000, 0.0000480100000000 ] - [ 0.0001863500000000, 0.0001886200000000, 0.0000993700000000 ] - [ -0.0000761800000000, -0.0001877600000000, 0.0001045300000000 ] - [ 0.0000031600000000, -0.0005009800000000, 0.0004892300000000 ] - [ 0.0000057500000000, 0.0000598700000000, 0.0002304400000000 ] - [ -0.0003924100000000, 0.0004047400000000, -0.0000215700000000 ] - [ -0.0001388000000000, -0.0002217700000000, -0.0001556700000000 ] - [ 0.0000105600000000, 0.0000343500000000, -0.0000638700000000 ] - [ 0.0001116800000000, -0.0003307000000000, -0.0000057300000000 ] - [ 0.0001631100000000, 0.0003228700000000, 0.0001516600000000 ] - [ 0.0001180500000000, 0.0001429100000000, -0.0001119200000000 ] - [ 0.0000639600000000, 0.0002091000000000, 0.0000374000000000 ] - [ -0.0006185000000000, 0.0014237100000000, -0.0002028700000000 ] - [ 0.0002434600000000, 0.0003993200000000, -0.0001833400000000 ] - [ -0.0000835500000000, 0.0000943800000000, 0.0000634900000000 ] - [ -0.0000324500000000, -0.0003426100000000, -0.0000372300000000 ] - [ 0.0001728000000000, -0.0001064800000000, 0.0002550900000000 ] - [ -0.0006405700000000, -0.0008047100000000, -0.0005149600000000 ] - [ -0.0000200000000000, 0.0000414700000000, -0.0003306400000000 ] - [ 0.0001665700000000, -0.0002584400000000, -0.0004426900000000 ] - [ -0.0001779900000000, 0.0000092200000000, 0.0000468800000000 ] - [ -0.0030249400000000, 0.0012511500000000, -0.0041345400000000 ] - [ -0.0000201000000000, -0.0002168800000000, -0.0000522000000000 ] - [ -0.0304773400000000, 0.0282947900000000, -0.0084479800000000 ] - [ 0.0000087200000000, 0.0001010500000000, 0.0002138100000000 ] - [ 0.0000622100000000, 0.0002953200000000, 0.0000958800000000 ] - [ -0.0001685100000000, -0.0000617200000000, -0.0000742800000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001840300000000, 0.0001892400000000, 0.0002118200000000 ] - [ 0.0001657600000000, 0.0001384100000000, 0.0001354700000000 ] - [ -0.0024549800000000, -0.1281656300000000, -0.0020569400000000 ] - [ 0.0002121500000000, -0.0002977700000000, -0.0000016500000000 ] - [ -0.0001593400000000, -0.0002446800000000, -0.0002878400000000 ] - [ -0.0000491400000000, 0.0002822200000000, -0.0000206400000000 ] - [ -0.0000926400000000, 0.0001622500000000, 0.0000865600000000 ] - [ 0.0003037600000000, -0.0000066600000000, -0.0002624700000000 ] - [ -0.0002223900000000, 0.0002958200000000, 0.0002114800000000 ] - [ -0.0001982700000000, 0.0004069600000000, 0.0001318200000000 ] - [ 0.0002245900000000, 0.0000034700000000, -0.0000389000000000 ] - [ -0.0001060900000000, -0.0000381300000000, 0.0000952400000000 ] - [ -0.0000363800000000, 0.0001186000000000, -0.0001517600000000 ] - [ 0.0000342800000000, -0.0004106000000000, 0.0000838400000000 ] - [ 0.0001322700000000, 0.0003009200000000, 0.0000854200000000 ] - [ -0.0001626900000000, -0.0000912500000000, -0.0000281500000000 ] - [ 0.0000264200000000, 0.0002798700000000, -0.0000148200000000 ] - [ 0.0002516600000000, 0.0004862000000000, -0.0010660700000000 ] - [ 0.0000223100000000, -0.0000064400000000, -0.0000293500000000 ] - [ -0.0000475800000000, 0.0000370200000000, 0.0001865800000000 ] - [ 0.0000571000000000, 0.0001509400000000, 0.0000325600000000 ] - [ 0.0000421200000000, 0.0001087400000000, -0.0000330900000000 ] - [ 0.0199298600000000, 0.0421279800000000, 0.0340624200000000 ] - [ -0.0000272500000000, 0.0000375700000000, 0.0003146000000000 ] - [ 0.0020523300000000, 0.0027497800000000, -0.0008848500000000 ] - [ 0.0073547100000000, 0.0167820000000000, -0.0100720700000000 ] - [ -0.0001325100000000, -0.0000038200000000, 0.0002489700000000 ] - [ 0.0055944900000000, 0.0028760500000000, -0.0033097900000000 ] - [ -0.0000136500000000, -0.0001340700000000, -0.0000324500000000 ] - [ -0.0005279500000000, -0.0001583700000000, -0.0000064400000000 ] - [ -0.0001007000000000, 0.0001813100000000, -0.0001245200000000 ] - [ 0.0003949800000000, -0.0005403400000000, -0.0002526200000000 ] - [ -0.0002939400000000, 0.0000798900000000, 0.0003259700000000 ] - [ 0.0001093100000000, 0.0001700300000000, -0.0001660700000000 ] - [ -0.0000807200000000, 0.0002229300000000, -0.0001553500000000 ] - [ -0.0003170400000000, 0.0002421200000000, 0.0001189100000000 ] - [ 0.0002566600000000, -0.0002900300000000, -0.0002473600000000 ] - [ -0.0000904600000000, 0.0000830100000000, -0.0002160300000000 ] - [ -0.0000229800000000, -0.0002105100000000, 0.0000368700000000 ] - [ 0.0001158600000000, 0.0001136100000000, -0.0000957500000000 ] - [ -0.0012122600000000, 0.0061621400000000, -0.0084534100000000 ] - [ -0.0000370600000000, 0.0001674200000000, -0.0001345600000000 ] - [ 0.0006778500000000, -0.0046313700000000, 0.0019857700000000 ] - [ 0.0007015900000000, -0.0001180000000000, 0.0001924200000000 ] - [ 0.0000237800000000, -0.0001190900000000, 0.0000746200000000 ] - [ -0.0002453600000000, -0.0001517100000000, -0.0000363000000000 ] - [ 0.0000050500000000, 0.0000574200000000, 0.0001065100000000 ] - [ -0.0007528200000000, 0.0025465700000000, -0.0050316500000000 ] - [ -0.0000691700000000, -0.0003939600000000, -0.0001615200000000 ] - [ -0.0001240700000000, -0.0001232800000000, -0.0002415900000000 ] - [ 0.0000930000000000, 0.0001386100000000, -0.0001425200000000 ] - [ 0.0013393100000000, 0.0012790000000000, -0.0001744500000000 ] - [ -0.0001063100000000, 0.0002168100000000, -0.0002314400000000 ] - [ -0.0001601200000000, 0.0003234300000000, -0.0000602500000000 ] - [ -0.0003207800000000, 0.0001710500000000, 0.0000170500000000 ] - [ 0.0000928500000000, -0.0001027000000000, 0.0001081600000000 ] - [ -0.0000660100000000, -0.0000138400000000, -0.0002317700000000 ] - [ -0.0000822600000000, -0.0000741000000000, 0.0000863500000000 ] - [ 0.0001884600000000, 0.0001902000000000, 0.0000767100000000 ] - [ -0.0000873900000000, -0.0002525700000000, -0.0000135700000000 ] - [ -0.0001297700000000, -0.0006580300000000, 0.0000411000000000 ] - [ -0.0000031400000000, -0.0000048900000000, 0.0002153900000000 ] - [ -0.0002027600000000, 0.0003337500000000, -0.0002124600000000 ] - [ 0.0000444100000000, -0.0002075700000000, 0.0004975900000000 ] - [ -0.0000213700000000, -0.0000324300000000, -0.0001170200000000 ] - [ 0.0000692300000000, 0.0000417600000000, 0.0008883900000000 ] - [ 0.0001681200000000, 0.0003337100000000, 0.0001631100000000 ] - [ 0.0001207900000000, 0.0001484800000000, -0.0001103700000000 ] - [ 0.0000282800000000, 0.0001852600000000, 0.0000508900000000 ] - [ -0.0004951000000000, -0.0003697800000000, -0.0000565700000000 ] - [ 0.0002425200000000, 0.0004088500000000, -0.0001659800000000 ] - [ -0.0000703500000000, 0.0001313300000000, 0.0000994300000000 ] - [ -0.0000029300000000, -0.0002491600000000, 0.0001398800000000 ] - [ 0.0002177200000000, 0.0001005600000000, 0.0003480200000000 ] - [ 0.0004809300000000, 0.0012791800000000, 0.0006355500000000 ] - [ 0.0000793900000000, 0.0001655700000000, -0.0002803900000000 ] - [ -0.0018196900000000, 0.0007315900000000, 0.0005591000000000 ] - [ -0.0000889900000000, -0.0001412100000000, 0.0000837400000000 ] - [ 0.0021761300000000, -0.0041853100000000, 0.0067572300000000 ] - [ -0.0000341100000000, -0.0001544000000000, -0.0000919500000000 ] - [ -0.0328932300000000, 0.0580532000000000, -0.0139597700000000 ] - [ 0.0000730000000000, 0.0001311500000000, 0.0001903500000000 ] - [ 0.0000076000000000, 0.0004524200000000, 0.0001222100000000 ] - [ -0.0001329000000000, 0.0002053000000000, -0.0003455800000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002070500000000, 0.0001898200000000, 0.0001845700000000 ] - [ 0.0001332500000000, 0.0001194900000000, 0.0001002800000000 ] - [ 0.0046064700000000, 0.1270553300000000, 0.0034139500000000 ] - [ -0.0001401800000000, 0.0005993600000000, 0.0002658600000000 ] - [ 0.0001270000000000, 0.0002687700000000, 0.0003933900000000 ] - [ -0.0000634200000000, 0.0002767500000000, -0.0000387300000000 ] - [ -0.0000956500000000, 0.0001236700000000, 0.0001999600000000 ] - [ 0.0000473300000000, -0.0006693100000000, 0.0005874900000000 ] - [ -0.0000127800000000, -0.0000334700000000, 0.0000066600000000 ] - [ -0.0002747200000000, 0.0003956700000000, 0.0001960600000000 ] - [ -0.0002281000000000, 0.0000857400000000, -0.0001772600000000 ] - [ -0.0000214600000000, -0.0002835200000000, -0.0001575400000000 ] - [ -0.0000336500000000, 0.0001230100000000, -0.0001627500000000 ] - [ 0.0001731900000000, 0.0000109800000000, 0.0004034000000000 ] - [ 0.0001276100000000, 0.0003121000000000, 0.0001201700000000 ] - [ 0.0000084800000000, -0.0000789700000000, -0.0001337400000000 ] - [ 0.0000823000000000, 0.0002759900000000, 0.0000742300000000 ] - [ 0.0002773800000000, -0.0012890100000000, 0.0007532400000000 ] - [ 0.0000102200000000, 0.0000305700000000, -0.0000733900000000 ] - [ 0.0000139800000000, -0.0000593800000000, -0.0000817600000000 ] - [ 0.0000691100000000, 0.0001702300000000, 0.0000308400000000 ] - [ 0.0000231800000000, 0.0001115700000000, -0.0000432200000000 ] - [ -0.0206477500000000, -0.0435113700000000, -0.0353132900000000 ] - [ 0.0001452700000000, -0.0000399400000000, 0.0001610600000000 ] - [ -0.0021405400000000, -0.0030648100000000, 0.0005340400000000 ] - [ -0.0069983400000000, -0.0171472100000000, 0.0095801100000000 ] - [ 0.0002045000000000, -0.0002354100000000, 0.0000681800000000 ] - [ -0.0052815600000000, -0.0034745500000000, 0.0034889800000000 ] - [ -0.0003764800000000, -0.0002454700000000, -0.0003623400000000 ] - [ 0.0002902400000000, -0.0001034100000000, 0.0002211700000000 ] - [ -0.0001954600000000, 0.0000757700000000, -0.0001104800000000 ] - [ -0.0003329800000000, 0.0003215800000000, 0.0001796600000000 ] - [ 0.0000227900000000, -0.0006814800000000, -0.0005217700000000 ] - [ 0.0001213400000000, 0.0001477100000000, -0.0001780800000000 ] - [ -0.0000431500000000, 0.0000980300000000, 0.0000929900000000 ] - [ -0.0000258000000000, 0.0000992200000000, -0.0003200400000000 ] - [ 0.0000782700000000, -0.0000436100000000, 0.0004502000000000 ] - [ 0.0000257500000000, 0.0001374800000000, 0.0002942100000000 ] - [ -0.0000414100000000, -0.0000105600000000, 0.0000406400000000 ] - [ 0.0000935700000000, 0.0001223600000000, -0.0001049200000000 ] - [ 0.0015675500000000, -0.0064642800000000, 0.0088720900000000 ] - [ -0.0000360800000000, 0.0001445100000000, -0.0001346200000000 ] - [ -0.0005173600000000, 0.0048494100000000, -0.0018149200000000 ] - [ -0.0004907200000000, -0.0001201100000000, -0.0003938100000000 ] - [ 0.0000482300000000, -0.0001942200000000, 0.0001941200000000 ] - [ -0.0000976000000000, -0.0001916500000000, -0.0001624600000000 ] - [ -0.0000009100000000, 0.0000336600000000, 0.0001107200000000 ] - [ 0.0010750500000000, -0.0028134600000000, 0.0052398600000000 ] - [ -0.0002826700000000, -0.0002771300000000, -0.0001793400000000 ] - [ -0.0001728700000000, -0.0001325700000000, 0.0000046900000000 ] - [ 0.0000927300000000, 0.0001456700000000, -0.0001432300000000 ] - [ -0.0011655400000000, -0.0015710000000000, -0.0000940300000000 ] - [ -0.0001045200000000, 0.0001826600000000, -0.0002565200000000 ] - [ -0.0001930200000000, 0.0003454500000000, -0.0002784900000000 ] - [ 0.0003563900000000, -0.0002020100000000, -0.0001244400000000 ] - [ 0.0000601000000000, -0.0000667200000000, 0.0000546400000000 ] - [ -0.0000538100000000, 0.0000111900000000, -0.0002439400000000 ] - [ -0.0001021100000000, -0.0002109600000000, 0.0001983600000000 ] - [ 0.0001538900000000, 0.0001509200000000, 0.0001264100000000 ] - [ -0.0001476100000000, -0.0000620200000000, 0.0003556800000000 ] - [ -0.0003424800000000, -0.0001510100000000, 0.0002847500000000 ] - [ -0.0002269400000000, 0.0003222600000000, 0.0001290400000000 ] - [ -0.0000581200000000, 0.0002805100000000, 0.0000064200000000 ] - [ 0.0000540100000000, -0.0001907400000000, -0.0004232400000000 ] - [ 0.0000182400000000, -0.0000563500000000, -0.0000969100000000 ] - [ -0.0002182500000000, 0.0001300500000000, -0.0010400700000000 ] - [ 0.0001838100000000, 0.0003352200000000, 0.0001768600000000 ] - [ 0.0001133700000000, 0.0001159100000000, -0.0001126900000000 ] - [ 0.0000721800000000, 0.0002067700000000, 0.0000227200000000 ] - [ 0.0004958900000000, 0.0002751500000000, 0.0002811200000000 ] - [ 0.0002321600000000, 0.0003920600000000, -0.0001630100000000 ] - [ -0.0001379000000000, 0.0001031300000000, 0.0001005300000000 ] - [ 0.0001172800000000, -0.0003074400000000, -0.0000818700000000 ] - [ -0.0000898300000000, -0.0000959900000000, 0.0001320000000000 ] - [ -0.0005847200000000, -0.0012646400000000, -0.0011019200000000 ] - [ -0.0001802500000000, 0.0002251900000000, 0.0002094500000000 ] - [ 0.0017114400000000, -0.0012858800000000, -0.0006358100000000 ] - [ -0.0001211600000000, -0.0000948300000000, 0.0001166800000000 ] - [ -0.0022166200000000, 0.0038442600000000, -0.0070044300000000 ] - [ -0.0000668800000000, -0.0002365600000000, 0.0000174000000000 ] - [ 0.0313758200000000, -0.0565182600000000, 0.0133518100000000 ] - [ -0.0000017400000000, 0.0001100000000000, 0.0001235100000000 ] - [ 0.0002035700000000, -0.0000541200000000, 0.0003656600000000 ] - [ -0.0002568700000000, 0.0001782400000000, -0.0000507900000000 ]- atom: 3 displacement: [ -0.0027030911372206, 0.0000000000000000, 0.0096277358866911 ] forces: - [ 0.0002121800000000, 0.0001853600000000, 0.0001906300000000 ] - [ 0.0001360100000000, 0.0001053900000000, 0.0000913100000000 ] - [ 0.0375508600000000, -0.0018853300000000, -0.1076698300000000 ] - [ 0.0002393100000000, 0.0000405800000000, 0.0003366400000000 ] - [ 0.0005254900000000, -0.0006621700000000, 0.0007358900000000 ] - [ -0.0000410700000000, 0.0002722600000000, -0.0000442500000000 ] - [ 0.0000560200000000, -0.0000055900000000, 0.0000338200000000 ] - [ 0.0006991600000000, -0.0008009600000000, -0.0024830100000000 ] - [ 0.0000685500000000, 0.0000105100000000, 0.0000138300000000 ] - [ -0.0002518600000000, 0.0003831000000000, 0.0002549800000000 ] - [ 0.0002393100000000, 0.0001912700000000, -0.0000628800000000 ] - [ 0.0000517000000000, -0.0003182400000000, -0.0000463500000000 ] - [ -0.0000362500000000, 0.0001240700000000, -0.0001429700000000 ] - [ 0.0002023700000000, -0.0000654500000000, 0.0003467100000000 ] - [ 0.0001164400000000, 0.0003087400000000, 0.0000991200000000 ] - [ -0.0000666600000000, -0.0000122200000000, -0.0001279900000000 ] - [ 0.0001494900000000, 0.0003184900000000, -0.0000653600000000 ] - [ 0.0002608600000000, 0.0009245300000000, -0.0004018200000000 ] - [ 0.0000251600000000, 0.0000251300000000, -0.0000518000000000 ] - [ -0.0000198800000000, -0.0000272700000000, 0.0000450400000000 ] - [ 0.0000578500000000, 0.0001766800000000, 0.0000291100000000 ] - [ 0.0000132800000000, 0.0001150800000000, -0.0000590000000000 ] - [ 0.0088487600000000, 0.0226969800000000, 0.0361691300000000 ] - [ -0.0003781500000000, 0.0000126900000000, 0.0001268700000000 ] - [ -0.0002401200000000, -0.0046039800000000, -0.0082637200000000 ] - [ -0.0400694300000000, -0.0181517900000000, 0.0560240100000000 ] - [ 0.0000668300000000, -0.0003211200000000, -0.0002001400000000 ] - [ 0.0005874200000000, -0.0013403400000000, -0.0069529000000000 ] - [ -0.0003143900000000, -0.0002616500000000, -0.0003160800000000 ] - [ 0.0001269100000000, 0.0000523700000000, 0.0000784900000000 ] - [ -0.0003608400000000, 0.0002247000000000, 0.0001356700000000 ] - [ -0.0002138200000000, 0.0000685000000000, -0.0002796000000000 ] - [ 0.0002680500000000, -0.0000774200000000, 0.0001979400000000 ] - [ 0.0001310900000000, 0.0001667400000000, -0.0001775200000000 ] - [ 0.0000467000000000, 0.0002044200000000, 0.0000542600000000 ] - [ -0.0001183900000000, -0.0001422000000000, -0.0000834700000000 ] - [ 0.0001964200000000, 0.0002451100000000, -0.0011629500000000 ] - [ -0.0001200400000000, -0.0000434800000000, -0.0000294100000000 ] - [ -0.0000376300000000, -0.0000833500000000, 0.0000909900000000 ] - [ 0.0001107000000000, 0.0001035700000000, -0.0000901900000000 ] - [ 0.0012386000000000, -0.0023960400000000, 0.0039988400000000 ] - [ -0.0000368400000000, 0.0001587100000000, -0.0001383900000000 ] - [ -0.0034579600000000, 0.0025314100000000, -0.0001270900000000 ] - [ 0.0000728000000000, -0.0000406700000000, -0.0002786400000000 ] - [ 0.0000983100000000, -0.0001578000000000, 0.0001407000000000 ] - [ 0.0000215300000000, -0.0000343000000000, -0.0003708300000000 ] - [ -0.0000249700000000, 0.0000517300000000, 0.0000942600000000 ] - [ 0.0004029000000000, -0.0037683000000000, 0.0093940300000000 ] - [ -0.0002186100000000, -0.0003908000000000, -0.0003733000000000 ] - [ -0.0001904400000000, -0.0001151200000000, -0.0000231500000000 ] - [ 0.0000944500000000, 0.0001432900000000, -0.0001430900000000 ] - [ -0.0014058900000000, -0.0003927900000000, 0.0030709000000000 ] - [ -0.0000965500000000, 0.0001888500000000, -0.0002622500000000 ] - [ -0.0001842100000000, 0.0003898200000000, -0.0003407000000000 ] - [ 0.0003499000000000, -0.0001154800000000, 0.0006828000000000 ] - [ 0.0000860100000000, -0.0000980300000000, 0.0000686600000000 ] - [ -0.0000491900000000, -0.0000111700000000, -0.0002423300000000 ] - [ -0.0000891100000000, -0.0001473500000000, 0.0001985600000000 ] - [ 0.0001760300000000, 0.0001624100000000, 0.0001285200000000 ] - [ -0.0001341100000000, -0.0002258600000000, 0.0002774100000000 ] - [ -0.0004547200000000, -0.0001193600000000, 0.0001297400000000 ] - [ -0.0000895900000000, 0.0002182500000000, 0.0003300900000000 ] - [ -0.0002595800000000, 0.0002608300000000, 0.0003257000000000 ] - [ 0.0003963600000000, -0.0005973900000000, 0.0004570700000000 ] - [ -0.0000163800000000, -0.0000913100000000, -0.0001828100000000 ] - [ -0.0002099900000000, 0.0000749100000000, -0.0008337000000000 ] - [ 0.0001945900000000, 0.0003371900000000, 0.0001786100000000 ] - [ 0.0000847100000000, 0.0001249000000000, -0.0001110900000000 ] - [ 0.0000791200000000, 0.0002061600000000, 0.0000181500000000 ] - [ 0.0000478300000000, 0.0019367600000000, 0.0013616500000000 ] - [ 0.0002298900000000, 0.0003848100000000, -0.0001480200000000 ] - [ -0.0001413000000000, 0.0000813800000000, 0.0000816100000000 ] - [ 0.0001795000000000, -0.0003663100000000, 0.0002157200000000 ] - [ -0.0002442800000000, 0.0000683700000000, 0.0003222300000000 ] - [ 0.0001933400000000, 0.0012759500000000, 0.0025563000000000 ] - [ 0.0000991400000000, 0.0000117400000000, -0.0001697900000000 ] - [ -0.0018827000000000, -0.0005443800000000, 0.0017121700000000 ] - [ -0.0001324000000000, -0.0001647400000000, 0.0000739300000000 ] - [ 0.0033944800000000, -0.0012131800000000, 0.0067166700000000 ] - [ -0.0000684700000000, -0.0002423600000000, 0.0000666000000000 ] - [ -0.0066109300000000, 0.0040250800000000, 0.0045328000000000 ] - [ -0.0000723000000000, 0.0001757100000000, 0.0000307800000000 ] - [ 0.0002289700000000, 0.0001107800000000, 0.0003161600000000 ] - [ -0.0003162900000000, 0.0001600200000000, -0.0000786600000000 ]- atom: 3 displacement: [ 0.0027030911372206, 0.0000000000000000, -0.0096277358866911 ] forces: - [ 0.0001816500000000, 0.0001951700000000, 0.0002045400000000 ] - [ 0.0001613800000000, 0.0001502100000000, 0.0001431400000000 ] - [ -0.0396397900000000, 0.0014523400000000, 0.1090856200000000 ] - [ -0.0001634800000000, 0.0002659500000000, -0.0000672000000000 ] - [ -0.0005451500000000, 0.0006871600000000, -0.0006368700000000 ] - [ -0.0000697400000000, 0.0002895500000000, -0.0000155700000000 ] - [ -0.0002441200000000, 0.0002923100000000, 0.0002517700000000 ] - [ -0.0003538600000000, 0.0001203100000000, 0.0028291000000000 ] - [ -0.0003045800000000, 0.0002516700000000, 0.0002082900000000 ] - [ -0.0002221000000000, 0.0004182100000000, 0.0000737500000000 ] - [ -0.0002411300000000, -0.0001011800000000, -0.0001543700000000 ] - [ -0.0001737300000000, -0.0000049200000000, -0.0000215900000000 ] - [ -0.0000335500000000, 0.0001172900000000, -0.0001745500000000 ] - [ 0.0000051300000000, -0.0003333400000000, 0.0001417600000000 ] - [ 0.0001437300000000, 0.0003059100000000, 0.0001081900000000 ] - [ -0.0000859600000000, -0.0001584800000000, -0.0000315900000000 ] - [ -0.0000381000000000, 0.0002405000000000, 0.0001267600000000 ] - [ 0.0002407400000000, -0.0017395800000000, 0.0000864800000000 ] - [ 0.0000077600000000, -0.0000007200000000, -0.0000517700000000 ] - [ -0.0000143000000000, 0.0000021900000000, 0.0000608000000000 ] - [ 0.0000674900000000, 0.0001441600000000, 0.0000380300000000 ] - [ 0.0000507000000000, 0.0001038000000000, -0.0000188200000000 ] - [ -0.0090004100000000, -0.0236338600000000, -0.0364824000000000 ] - [ 0.0004903800000000, -0.0000137000000000, 0.0003537300000000 ] - [ 0.0001750200000000, 0.0043896400000000, 0.0079830100000000 ] - [ 0.0422189200000000, 0.0186893600000000, -0.0579381900000000 ] - [ 0.0000021200000000, 0.0000705300000000, 0.0005110900000000 ] - [ -0.0002953400000000, 0.0007125300000000, 0.0072072600000000 ] - [ -0.0000809500000000, -0.0001198900000000, -0.0000819500000000 ] - [ -0.0003530600000000, -0.0003140900000000, 0.0001399200000000 ] - [ 0.0000646600000000, 0.0000317900000000, -0.0003721400000000 ] - [ 0.0002751800000000, -0.0002853400000000, 0.0002004200000000 ] - [ -0.0005212500000000, -0.0005402700000000, -0.0004025500000000 ] - [ 0.0001007900000000, 0.0001517400000000, -0.0001628300000000 ] - [ -0.0001722900000000, 0.0001177800000000, -0.0001215100000000 ] - [ -0.0002242900000000, 0.0004829100000000, -0.0001209000000000 ] - [ 0.0001396600000000, -0.0006114000000000, 0.0013729400000000 ] - [ 0.0000566900000000, 0.0002613100000000, 0.0001054200000000 ] - [ -0.0000266500000000, -0.0001343700000000, -0.0000127500000000 ] - [ 0.0000986400000000, 0.0001334000000000, -0.0001112300000000 ] - [ -0.0008492800000000, 0.0020270700000000, -0.0035480400000000 ] - [ -0.0000381400000000, 0.0001531800000000, -0.0001300900000000 ] - [ 0.0035655000000000, -0.0023265900000000, 0.0002584300000000 ] - [ 0.0001398700000000, -0.0002004600000000, 0.0000766700000000 ] - [ -0.0000215700000000, -0.0001525200000000, 0.0001293600000000 ] - [ -0.0003592600000000, -0.0003012500000000, 0.0001619600000000 ] - [ 0.0000276600000000, 0.0000380000000000, 0.0001223700000000 ] - [ -0.0000203200000000, 0.0036394000000000, -0.0092512000000000 ] - [ -0.0001357900000000, -0.0002785100000000, 0.0000275900000000 ] - [ -0.0001081100000000, -0.0001429800000000, -0.0002089100000000 ] - [ 0.0000920300000000, 0.0001405800000000, -0.0001397500000000 ] - [ 0.0015842800000000, 0.0001018100000000, -0.0033730900000000 ] - [ -0.0001135200000000, 0.0002113800000000, -0.0002286500000000 ] - [ -0.0001693200000000, 0.0002792300000000, 0.0000025200000000 ] - [ -0.0003177600000000, 0.0000914600000000, -0.0007834800000000 ] - [ 0.0000658800000000, -0.0000722300000000, 0.0000944400000000 ] - [ -0.0000696800000000, 0.0000092500000000, -0.0002323600000000 ] - [ -0.0000968200000000, -0.0001349400000000, 0.0000865900000000 ] - [ 0.0001672700000000, 0.0001783700000000, 0.0000733100000000 ] - [ -0.0000946900000000, -0.0000939700000000, 0.0000683400000000 ] - [ -0.0000253100000000, -0.0006725900000000, 0.0002010700000000 ] - [ -0.0001423900000000, 0.0001011800000000, 0.0000099800000000 ] - [ 0.0000048200000000, 0.0003541500000000, -0.0005352400000000 ] - [ -0.0002924200000000, 0.0002114600000000, -0.0003770000000000 ] - [ 0.0000109900000000, 0.0000001400000000, -0.0000387000000000 ] - [ 0.0000571900000000, 0.0000948400000000, 0.0006609000000000 ] - [ 0.0001591000000000, 0.0003316700000000, 0.0001630100000000 ] - [ 0.0001487300000000, 0.0001394500000000, -0.0001117300000000 ] - [ 0.0000219400000000, 0.0001841800000000, 0.0000545400000000 ] - [ -0.0000674300000000, -0.0020340000000000, -0.0011877000000000 ] - [ 0.0002459300000000, 0.0004148300000000, -0.0001818900000000 ] - [ -0.0000668500000000, 0.0001553800000000, 0.0001205500000000 ] - [ -0.0000638700000000, -0.0001962500000000, -0.0001504000000000 ] - [ 0.0003555700000000, -0.0000658200000000, 0.0001554300000000 ] - [ -0.0002976800000000, -0.0012555500000000, -0.0030502100000000 ] - [ -0.0001965800000000, 0.0003747000000000, 0.0000990900000000 ] - [ 0.0017699700000000, -0.0000070600000000, -0.0018079800000000 ] - [ -0.0000769000000000, -0.0000738400000000, 0.0001274200000000 ] - [ -0.0035427700000000, 0.0008119300000000, -0.0069834300000000 ] - [ -0.0000316300000000, -0.0001490300000000, -0.0001372800000000 ] - [ 0.0070575200000000, -0.0045479700000000, -0.0046340100000000 ] - [ 0.0001420400000000, 0.0000656200000000, 0.0002895000000000 ] - [ -0.0000196300000000, 0.0002900500000000, 0.0001745000000000 ] - [ -0.0000753500000000, 0.0002196300000000, -0.0003196800000000 ]- atom: 4 displacement: [ 0.0099998398488412, 0.0000000000000000, -0.0000565950309369 ] forces: - [ 0.0001790600000000, 0.0002333500000000, 0.0002072600000000 ] - [ 0.0002200500000000, 0.0001580900000000, 0.0001114400000000 ] - [ -0.0001953500000000, -0.0000141500000000, -0.0000616800000000 ] - [ -0.1226944900000000, -0.0101805300000000, 0.0018373400000000 ] - [ -0.0009153900000000, 0.0015200200000000, 0.0008660700000000 ] - [ -0.0000800000000000, 0.0002449400000000, 0.0000312000000000 ] - [ -0.0001108500000000, -0.0006634500000000, 0.0000944100000000 ] - [ 0.0000025900000000, -0.0004923600000000, 0.0001798400000000 ] - [ 0.0005086500000000, -0.0017264500000000, 0.0017583100000000 ] - [ 0.0047162500000000, -0.0010634700000000, -0.0094216900000000 ] - [ 0.0034305400000000, -0.0007702500000000, -0.0011973200000000 ] - [ -0.0000467200000000, -0.0001497400000000, -0.0000377400000000 ] - [ 0.0002374700000000, 0.0001483600000000, 0.0000249400000000 ] - [ 0.0001229500000000, -0.0001913100000000, 0.0002516100000000 ] - [ -0.0000128100000000, 0.0002970300000000, 0.0002398600000000 ] - [ 0.0001539100000000, 0.0006829100000000, 0.0001270700000000 ] - [ 0.0736851600000000, 0.0057948000000000, -0.0257320000000000 ] - [ 0.0001966000000000, -0.0003573900000000, -0.0003083100000000 ] - [ 0.0000264800000000, 0.0000419100000000, 0.0000646200000000 ] - [ -0.0000059800000000, 0.0000080000000000, 0.0000263900000000 ] - [ -0.0000760300000000, 0.0001553900000000, 0.0000342500000000 ] - [ 0.0000884700000000, 0.0000705100000000, -0.0000378000000000 ] - [ 0.0001221000000000, -0.0000584200000000, 0.0001820300000000 ] - [ 0.0001409400000000, 0.0005539200000000, 0.0001029600000000 ] - [ -0.0000385100000000, 0.0000731400000000, -0.0000478600000000 ] - [ -0.0000022800000000, -0.0000218100000000, 0.0000566000000000 ] - [ 0.0000524000000000, -0.0001039400000000, 0.0001740100000000 ] - [ 0.0002975300000000, -0.0004143600000000, 0.0000847300000000 ] - [ -0.0002034600000000, -0.0001863700000000, -0.0002034600000000 ] - [ -0.0001208700000000, -0.0001581500000000, 0.0001016900000000 ] - [ 0.0001695200000000, 0.0086679400000000, 0.0014467600000000 ] - [ 0.0010519800000000, -0.0004674900000000, -0.0008949700000000 ] - [ -0.0001300900000000, -0.0002904100000000, -0.0001151000000000 ] - [ 0.0000066200000000, 0.0001694200000000, -0.0002525900000000 ] - [ 0.0233029800000000, -0.0073263200000000, 0.0192060000000000 ] - [ 0.0003215100000000, 0.0003557900000000, -0.0003413200000000 ] - [ 0.0000885700000000, -0.0000250900000000, 0.0000435100000000 ] - [ 0.0014222200000000, -0.0000823900000000, -0.0001544500000000 ] - [ -0.0000214600000000, -0.0001084600000000, 0.0000295100000000 ] - [ 0.0000983500000000, 0.0001897800000000, -0.0001354800000000 ] - [ 0.0001819500000000, -0.0004155600000000, 0.0002293000000000 ] - [ 0.0000024600000000, 0.0000920600000000, -0.0001857200000000 ] - [ 0.0002125400000000, -0.0000068600000000, 0.0000785600000000 ] - [ 0.0005482100000000, -0.0001333100000000, 0.0002537300000000 ] - [ 0.0000317300000000, -0.0001654000000000, 0.0001234100000000 ] - [ -0.0002126700000000, -0.0001878300000000, -0.0000778900000000 ] - [ -0.0000373800000000, 0.0000499500000000, 0.0001525400000000 ] - [ 0.0000500200000000, -0.0001598700000000, 0.0000340500000000 ] - [ -0.0001643500000000, -0.0003383800000000, -0.0001638900000000 ] - [ -0.0001461600000000, -0.0001384700000000, -0.0001184600000000 ] - [ 0.0000630100000000, 0.0000391900000000, -0.0002828600000000 ] - [ 0.0002015200000000, 0.0000079600000000, 0.0000015400000000 ] - [ -0.0000601500000000, 0.0002047900000000, -0.0001683200000000 ] - [ -0.0002199500000000, 0.0000370100000000, 0.0001550600000000 ] - [ -0.0002987800000000, -0.0000798400000000, -0.0000611800000000 ] - [ 0.0001279300000000, 0.0001252900000000, 0.0005385500000000 ] - [ 0.0000469300000000, -0.0000566900000000, -0.0001520400000000 ] - [ -0.0000769000000000, -0.0001501400000000, 0.0001643100000000 ] - [ 0.0001751100000000, 0.0001359400000000, 0.0000835100000000 ] - [ -0.0001251600000000, -0.0001517800000000, 0.0001651200000000 ] - [ -0.0002667000000000, -0.0003926000000000, 0.0001444400000000 ] - [ 0.0000329100000000, 0.0002969800000000, 0.0007855400000000 ] - [ -0.0000074300000000, 0.0003925500000000, 0.0000269100000000 ] - [ 0.0013092600000000, 0.0003999900000000, -0.0006018700000000 ] - [ 0.0000054600000000, -0.0000227600000000, -0.0001247600000000 ] - [ -0.0000435000000000, 0.0001056700000000, -0.0000264200000000 ] - [ 0.0001748800000000, 0.0002949200000000, 0.0001068200000000 ] - [ 0.0002085200000000, 0.0000930700000000, -0.0000975600000000 ] - [ 0.0000242400000000, 0.0003007100000000, 0.0000060500000000 ] - [ 0.0006037300000000, -0.0009971100000000, 0.0008080800000000 ] - [ 0.0002491400000000, 0.0004866500000000, -0.0001381700000000 ] - [ -0.0002213300000000, 0.0002872200000000, -0.0001907900000000 ] - [ 0.0000482100000000, -0.0002810000000000, 0.0000065000000000 ] - [ 0.0000759600000000, 0.0000178400000000, 0.0002284900000000 ] - [ 0.0000418700000000, -0.0000000400000000, 0.0000529000000000 ] - [ 0.0004284400000000, 0.0030011200000000, 0.0019302800000000 ] - [ 0.0000669800000000, -0.0001766200000000, 0.0005919800000000 ] - [ -0.0001227400000000, -0.0001406400000000, 0.0001218900000000 ] - [ -0.0005635200000000, 0.0001637600000000, -0.0000615500000000 ] - [ -0.0000688200000000, -0.0002192100000000, -0.0000493500000000 ] - [ 0.0001114000000000, -0.0000718200000000, 0.0000856900000000 ] - [ -0.0039359500000000, -0.0010814300000000, 0.0015695500000000 ] - [ 0.0030811600000000, 0.0023942800000000, 0.0046259300000000 ] - [ 0.0124793100000000, 0.0019274200000000, 0.0010894900000000 ]- atom: 4 displacement: [ -0.0099998398488412, 0.0000000000000000, 0.0000565950309369 ] forces: - [ 0.0002115700000000, 0.0001445300000000, 0.0001992700000000 ] - [ 0.0000869500000000, 0.0001007500000000, 0.0001166100000000 ] - [ -0.0000243600000000, -0.0003771900000000, -0.0004296300000000 ] - [ 0.1194285200000000, 0.0096792400000000, 0.0003178600000000 ] - [ 0.0008844400000000, -0.0014932700000000, -0.0007607600000000 ] - [ -0.0000305100000000, 0.0003215200000000, -0.0000769200000000 ] - [ -0.0000634300000000, 0.0009307000000000, 0.0002204200000000 ] - [ 0.0003440900000000, -0.0001781200000000, 0.0001412500000000 ] - [ -0.0007298700000000, 0.0019952700000000, -0.0014237700000000 ] - [ -0.0051273200000000, 0.0018289400000000, 0.0096642500000000 ] - [ -0.0034627500000000, 0.0008338500000000, 0.0009754600000000 ] - [ -0.0000651700000000, -0.0001582800000000, -0.0000331200000000 ] - [ -0.0003098400000000, 0.0000861800000000, -0.0003484400000000 ] - [ 0.0000981700000000, -0.0002014300000000, 0.0002428500000000 ] - [ 0.0002684200000000, 0.0003052100000000, -0.0000368500000000 ] - [ -0.0002892600000000, -0.0008555600000000, -0.0002832700000000 ] - [ -0.0701693100000000, -0.0047942100000000, 0.0244663800000000 ] - [ 0.0002833800000000, -0.0004473700000000, -0.0000278400000000 ] - [ 0.0000071600000000, -0.0000166400000000, -0.0001653700000000 ] - [ -0.0000269800000000, -0.0000330700000000, 0.0000763600000000 ] - [ 0.0001862700000000, 0.0001523500000000, 0.0000351500000000 ] - [ -0.0000236200000000, 0.0001535000000000, -0.0000298500000000 ] - [ -0.0000079500000000, -0.0002532900000000, -0.0001156300000000 ] - [ -0.0000141900000000, -0.0005498900000000, 0.0003668600000000 ] - [ -0.0000374800000000, -0.0003033900000000, -0.0002790600000000 ] - [ 0.0002391000000000, -0.0002968300000000, -0.0004011700000000 ] - [ 0.0000248900000000, -0.0001280000000000, 0.0001523200000000 ] - [ -0.0000412700000000, -0.0001898500000000, 0.0001168200000000 ] - [ -0.0001876700000000, -0.0001915400000000, -0.0002042100000000 ] - [ -0.0001121600000000, -0.0001189400000000, 0.0001326500000000 ] - [ -0.0004698700000000, -0.0084263500000000, -0.0016898400000000 ] - [ -0.0010162800000000, 0.0002438400000000, 0.0008458700000000 ] - [ -0.0001254900000000, -0.0003116300000000, -0.0000862500000000 ] - [ 0.0002278100000000, 0.0001452600000000, -0.0000934500000000 ] - [ -0.0236928600000000, 0.0079982300000000, -0.0198985800000000 ] - [ -0.0006769700000000, -0.0000074600000000, 0.0001560800000000 ] - [ 0.0002678300000000, -0.0003313300000000, 0.0001462200000000 ] - [ -0.0014579600000000, 0.0003224400000000, 0.0002167400000000 ] - [ -0.0000425000000000, -0.0001165600000000, 0.0000374500000000 ] - [ 0.0001187000000000, 0.0000525500000000, -0.0000762500000000 ] - [ 0.0002062700000000, 0.0000364400000000, 0.0001767900000000 ] - [ -0.0000754600000000, 0.0002210800000000, -0.0000751300000000 ] - [ -0.0000656000000000, 0.0001884900000000, 0.0000738300000000 ] - [ -0.0003475100000000, -0.0001035300000000, -0.0004717900000000 ] - [ 0.0000430600000000, -0.0001487200000000, 0.0001377700000000 ] - [ -0.0001416200000000, -0.0001620000000000, -0.0001101100000000 ] - [ 0.0000436500000000, 0.0000356800000000, 0.0000777300000000 ] - [ 0.0002600800000000, -0.0000987000000000, 0.0001976200000000 ] - [ -0.0001792100000000, -0.0003278600000000, -0.0001709600000000 ] - [ -0.0001609000000000, -0.0001205800000000, -0.0001090100000000 ] - [ 0.0001166500000000, 0.0002437900000000, -0.0000086500000000 ] - [ -0.0000159800000000, -0.0002894000000000, -0.0002918700000000 ] - [ -0.0001615000000000, 0.0001893400000000, -0.0003221700000000 ] - [ -0.0001230700000000, 0.0006235900000000, -0.0004887500000000 ] - [ 0.0003264000000000, 0.0000562400000000, -0.0000412300000000 ] - [ 0.0000169500000000, -0.0003057900000000, -0.0003841200000000 ] - [ -0.0001707000000000, 0.0000510500000000, -0.0003177500000000 ] - [ -0.0001025100000000, -0.0001351200000000, 0.0001234600000000 ] - [ 0.0001787800000000, 0.0002138600000000, 0.0001044500000000 ] - [ -0.0001099500000000, -0.0001620400000000, 0.0001817000000000 ] - [ -0.0002202400000000, -0.0004072000000000, 0.0001963700000000 ] - [ -0.0002721500000000, 0.0000256200000000, -0.0004582000000000 ] - [ -0.0002470600000000, 0.0002155000000000, -0.0002242600000000 ] - [ -0.0012473500000000, -0.0007923500000000, 0.0006866900000000 ] - [ -0.0000127600000000, -0.0000629400000000, -0.0001054300000000 ] - [ -0.0000994500000000, 0.0000745400000000, -0.0001251900000000 ] - [ 0.0001683200000000, 0.0003697200000000, 0.0002265600000000 ] - [ 0.0000246800000000, 0.0001840700000000, -0.0001370300000000 ] - [ 0.0000744700000000, 0.0000973900000000, 0.0000659800000000 ] - [ -0.0005879300000000, 0.0008980800000000, -0.0005632200000000 ] - [ 0.0002393700000000, 0.0003140300000000, -0.0002004000000000 ] - [ -0.0000028400000000, -0.0000505400000000, 0.0003987300000000 ] - [ 0.0000606300000000, -0.0002854300000000, 0.0000401900000000 ] - [ 0.0000484800000000, -0.0000116800000000, 0.0002424100000000 ] - [ -0.0001618200000000, -0.0000024800000000, -0.0005202600000000 ] - [ -0.0004985600000000, -0.0025994800000000, -0.0019669800000000 ] - [ -0.0001777300000000, -0.0003859000000000, -0.0006417900000000 ] - [ -0.0000948400000000, -0.0001013100000000, 0.0000899400000000 ] - [ 0.0004913200000000, -0.0004855000000000, -0.0002103500000000 ] - [ -0.0000302800000000, -0.0001764900000000, -0.0000231900000000 ] - [ 0.0001229400000000, -0.0002069100000000, -0.0003210700000000 ] - [ 0.0040227300000000, 0.0012493900000000, -0.0011985900000000 ] - [ -0.0029129000000000, -0.0019117800000000, -0.0041806700000000 ] - [ -0.0126971200000000, -0.0014682900000000, -0.0015187000000000 ]- atom: 4 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001922100000000, 0.0002393100000000, 0.0002129700000000 ] - [ 0.0001504400000000, 0.0001561800000000, 0.0001041700000000 ] - [ -0.0002047600000000, -0.0006456000000000, -0.0003920900000000 ] - [ -0.0094445500000000, -0.1202907500000000, 0.0005976800000000 ] - [ 0.0015247800000000, -0.0009313000000000, -0.0007506500000000 ] - [ -0.0000085000000000, 0.0002821800000000, 0.0000343000000000 ] - [ 0.0000206000000000, 0.0002886400000000, -0.0004673700000000 ] - [ 0.0004111500000000, -0.0004357900000000, -0.0000255800000000 ] - [ -0.0011421400000000, 0.0058354300000000, 0.0100569600000000 ] - [ -0.0020760700000000, 0.0005992200000000, -0.0010881100000000 ] - [ -0.0003234400000000, 0.0017603800000000, 0.0000184500000000 ] - [ -0.0000561100000000, -0.0001484200000000, -0.0000327400000000 ] - [ 0.0002942100000000, 0.0003590700000000, -0.0003530300000000 ] - [ 0.0001344900000000, -0.0001837900000000, 0.0002461600000000 ] - [ 0.0000327900000000, 0.0002699500000000, 0.0000434400000000 ] - [ 0.0008395400000000, 0.0002884000000000, -0.0003285600000000 ] - [ 0.0006679200000000, 0.0128131700000000, -0.0010142700000000 ] - [ 0.0002872200000000, -0.0004536400000000, -0.0001007200000000 ] - [ 0.0000457400000000, 0.0000564200000000, -0.0000347100000000 ] - [ -0.0000159900000000, -0.0000065200000000, 0.0000478200000000 ] - [ -0.0001218200000000, 0.0001552800000000, -0.0000357600000000 ] - [ 0.0000710300000000, 0.0001183600000000, -0.0000002000000000 ] - [ 0.0003875200000000, -0.0000508700000000, 0.0002085100000000 ] - [ 0.0005765400000000, 0.0001688000000000, 0.0004633000000000 ] - [ 0.0001394000000000, -0.0000873400000000, -0.0002736100000000 ] - [ 0.0000658900000000, -0.0000590600000000, -0.0003215100000000 ] - [ 0.0000450900000000, -0.0000751600000000, 0.0001681000000000 ] - [ 0.0000799600000000, -0.0002578000000000, 0.0001205000000000 ] - [ -0.0001903500000000, -0.0001967100000000, -0.0002119200000000 ] - [ -0.0001291900000000, -0.0001499800000000, 0.0001309000000000 ] - [ 0.0030384300000000, 0.0001505200000000, -0.0024795700000000 ] - [ -0.0001343100000000, -0.0002527100000000, -0.0001433600000000 ] - [ -0.0001249600000000, -0.0003251300000000, -0.0001566600000000 ] - [ 0.0000434700000000, 0.0001987100000000, -0.0001408300000000 ] - [ -0.0080161300000000, 0.0231693400000000, -0.0195539600000000 ] - [ -0.0001734400000000, 0.0000718100000000, 0.0002082900000000 ] - [ 0.0001358000000000, -0.0002821600000000, 0.0002352400000000 ] - [ -0.0006902100000000, 0.0035285900000000, 0.0010912100000000 ] - [ -0.0000258400000000, -0.0001170500000000, 0.0000231600000000 ] - [ 0.0000878900000000, 0.0001518800000000, -0.0000919400000000 ] - [ -0.0002273400000000, 0.0007754000000000, 0.0007476800000000 ] - [ 0.0000319700000000, 0.0000744600000000, -0.0002404400000000 ] - [ 0.0001040400000000, 0.0001562300000000, -0.0000404000000000 ] - [ 0.0001047600000000, 0.0001372000000000, -0.0001285400000000 ] - [ 0.0000409400000000, -0.0001477400000000, 0.0001179300000000 ] - [ -0.0001827100000000, -0.0001783300000000, -0.0000945700000000 ] - [ 0.0000465500000000, 0.0000671000000000, 0.0002156800000000 ] - [ -0.0000182600000000, -0.0002477400000000, 0.0000974000000000 ] - [ -0.0001801000000000, -0.0003245700000000, -0.0001776500000000 ] - [ -0.0001598500000000, -0.0001561200000000, -0.0001131800000000 ] - [ 0.0001152100000000, -0.0000434600000000, -0.0001171700000000 ] - [ 0.0001007800000000, -0.0000493100000000, -0.0004447000000000 ] - [ -0.0001600500000000, 0.0002321700000000, -0.0002535000000000 ] - [ -0.0000902000000000, 0.0004271200000000, -0.0003215100000000 ] - [ -0.0001054400000000, 0.0000449300000000, -0.0001879200000000 ] - [ 0.0004677000000000, -0.0000008600000000, -0.0002479900000000 ] - [ 0.0000110200000000, -0.0000107600000000, -0.0002579500000000 ] - [ -0.0000698300000000, -0.0001421700000000, 0.0001573100000000 ] - [ 0.0001172500000000, 0.0001092000000000, 0.0001212300000000 ] - [ -0.0001113100000000, -0.0001456000000000, 0.0001881700000000 ] - [ -0.0002428400000000, -0.0004037300000000, 0.0002042200000000 ] - [ -0.0010128800000000, 0.0001402300000000, 0.0002511700000000 ] - [ -0.0003405600000000, 0.0001505900000000, -0.0004928100000000 ] - [ 0.0004632700000000, -0.0008577800000000, -0.0001218900000000 ] - [ -0.0000094800000000, -0.0000254900000000, -0.0001241500000000 ] - [ -0.0000385500000000, 0.0000558000000000, -0.0001199200000000 ] - [ 0.0000501900000000, 0.0003474000000000, 0.0001864700000000 ] - [ 0.0001459300000000, -0.0000020500000000, -0.0002174400000000 ] - [ -0.0000221600000000, 0.0002574900000000, -0.0000101100000000 ] - [ -0.0006997400000000, 0.0004571600000000, -0.0004110000000000 ] - [ 0.0000504400000000, 0.0003426200000000, -0.0004332400000000 ] - [ 0.0000888900000000, 0.0006236700000000, 0.0003808300000000 ] - [ 0.0000420800000000, -0.0003009400000000, -0.0000072700000000 ] - [ 0.0000676300000000, 0.0000125900000000, 0.0002162800000000 ] - [ 0.0000121600000000, -0.0001502700000000, -0.0004276200000000 ] - [ 0.0084178000000000, -0.0001228200000000, -0.0019376800000000 ] - [ 0.0002403800000000, -0.0001126300000000, -0.0006055400000000 ] - [ -0.0001146200000000, -0.0001351400000000, 0.0001188400000000 ] - [ 0.0002931900000000, 0.0015469600000000, 0.0004700400000000 ] - [ -0.0000557800000000, -0.0002054900000000, -0.0000280000000000 ] - [ -0.0000493600000000, 0.0005731800000000, 0.0002524700000000 ] - [ 0.0019008300000000, 0.0033036400000000, -0.0043234200000000 ] - [ -0.0012817400000000, -0.0038266700000000, -0.0011878800000000 ] - [ 0.0058655100000000, 0.0720426300000000, 0.0233337200000000 ]- atom: 4 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001922000000000, 0.0001392500000000, 0.0002004000000000 ] - [ 0.0001580600000000, 0.0001079800000000, 0.0001286700000000 ] - [ -0.0000224500000000, 0.0002494100000000, -0.0001129500000000 ] - [ 0.0104282000000000, 0.1240422900000000, 0.0014560900000000 ] - [ -0.0015640700000000, 0.0009533600000000, 0.0008486000000000 ] - [ -0.0001001800000000, 0.0002787300000000, -0.0000756900000000 ] - [ -0.0002040000000000, -0.0000027100000000, 0.0007411500000000 ] - [ -0.0000736300000000, -0.0002261800000000, 0.0003630700000000 ] - [ 0.0009235600000000, -0.0056371400000000, -0.0099213200000000 ] - [ 0.0016003500000000, 0.0002000100000000, 0.0015302200000000 ] - [ 0.0003019500000000, -0.0017082300000000, -0.0002654000000000 ] - [ -0.0000510600000000, -0.0001555300000000, -0.0000361000000000 ] - [ -0.0003741100000000, -0.0001355500000000, 0.0000351000000000 ] - [ 0.0000950600000000, -0.0002090300000000, 0.0002465900000000 ] - [ 0.0002205000000000, 0.0003246900000000, 0.0001575600000000 ] - [ -0.0009875900000000, -0.0004724700000000, 0.0001796500000000 ] - [ -0.0006488900000000, -0.0124120400000000, 0.0010350500000000 ] - [ 0.0002032400000000, -0.0003510700000000, -0.0002458700000000 ] - [ -0.0000111800000000, -0.0000326700000000, -0.0000617900000000 ] - [ -0.0000195400000000, -0.0000184100000000, 0.0000477600000000 ] - [ 0.0002293200000000, 0.0001492800000000, 0.0001040400000000 ] - [ -0.0000101300000000, 0.0001056300000000, -0.0000593300000000 ] - [ -0.0002790100000000, -0.0002582700000000, -0.0001382000000000 ] - [ -0.0004563100000000, -0.0001809400000000, 0.0000080000000000 ] - [ -0.0002206100000000, -0.0001395800000000, -0.0000487000000000 ] - [ 0.0001760800000000, -0.0002565900000000, -0.0000244900000000 ] - [ 0.0000328200000000, -0.0001500300000000, 0.0001555300000000 ] - [ 0.0001749900000000, -0.0003421500000000, 0.0000819200000000 ] - [ -0.0001943600000000, -0.0001809100000000, -0.0002027300000000 ] - [ -0.0001114400000000, -0.0001286300000000, 0.0001031300000000 ] - [ -0.0033667200000000, 0.0000900200000000, 0.0022980000000000 ] - [ 0.0001981000000000, 0.0000330100000000, 0.0000821500000000 ] - [ -0.0001271500000000, -0.0002703600000000, -0.0000451300000000 ] - [ 0.0001926500000000, 0.0001124300000000, -0.0002083900000000 ] - [ 0.0075499000000000, -0.0226008200000000, 0.0188766000000000 ] - [ -0.0001788400000000, 0.0002887900000000, -0.0003956900000000 ] - [ 0.0002239400000000, -0.0000739600000000, -0.0000535500000000 ] - [ 0.0006495000000000, -0.0032832800000000, -0.0010254100000000 ] - [ -0.0000355400000000, -0.0001069600000000, 0.0000354900000000 ] - [ 0.0001349000000000, 0.0000931000000000, -0.0001228700000000 ] - [ 0.0006113800000000, -0.0011248500000000, -0.0003197000000000 ] - [ -0.0001025400000000, 0.0002436400000000, -0.0000117400000000 ] - [ 0.0000413700000000, 0.0000234300000000, 0.0001872800000000 ] - [ 0.0001175400000000, -0.0003857000000000, -0.0000861300000000 ] - [ 0.0000312000000000, -0.0001715500000000, 0.0001342000000000 ] - [ -0.0001742000000000, -0.0001756100000000, -0.0000903900000000 ] - [ -0.0000399700000000, 0.0000132100000000, 0.0000231700000000 ] - [ 0.0003258300000000, -0.0000121700000000, 0.0001315100000000 ] - [ -0.0001567400000000, -0.0003374000000000, -0.0001580200000000 ] - [ -0.0001491300000000, -0.0001075700000000, -0.0001190800000000 ] - [ 0.0000614900000000, 0.0003271000000000, -0.0001726100000000 ] - [ 0.0000787500000000, -0.0002364700000000, 0.0001525500000000 ] - [ -0.0000696100000000, 0.0001592400000000, -0.0002400400000000 ] - [ -0.0002524800000000, 0.0002337300000000, -0.0000094200000000 ] - [ 0.0001456900000000, -0.0000705600000000, 0.0000964400000000 ] - [ -0.0003279900000000, -0.0001800900000000, 0.0003937100000000 ] - [ -0.0001409300000000, 0.0000014300000000, -0.0002114600000000 ] - [ -0.0001057800000000, -0.0001400100000000, 0.0001337000000000 ] - [ 0.0002403800000000, 0.0002458100000000, 0.0000630600000000 ] - [ -0.0001220900000000, -0.0001667000000000, 0.0001608300000000 ] - [ -0.0002432900000000, -0.0004039700000000, 0.0001387100000000 ] - [ 0.0007987000000000, 0.0001672400000000, 0.0001246900000000 ] - [ 0.0000939000000000, 0.0004444800000000, 0.0002922900000000 ] - [ -0.0003531000000000, 0.0004566400000000, 0.0001890700000000 ] - [ 0.0000032700000000, -0.0000554500000000, -0.0001156800000000 ] - [ -0.0001052900000000, 0.0001209900000000, -0.0000237300000000 ] - [ 0.0002868400000000, 0.0003150500000000, 0.0001517700000000 ] - [ 0.0000957300000000, 0.0002811500000000, -0.0000139800000000 ] - [ 0.0001262800000000, 0.0001405800000000, 0.0000908700000000 ] - [ 0.0007162800000000, -0.0005384800000000, 0.0006587300000000 ] - [ 0.0004347000000000, 0.0004677200000000, 0.0000957000000000 ] - [ -0.0003072400000000, -0.0003775800000000, -0.0001617300000000 ] - [ 0.0000674700000000, -0.0002605700000000, 0.0000466200000000 ] - [ 0.0000610900000000, -0.0000016800000000, 0.0002541300000000 ] - [ -0.0001366800000000, 0.0001601700000000, -0.0000405900000000 ] - [ -0.0085048600000000, 0.0005115600000000, 0.0018472800000000 ] - [ -0.0003523500000000, -0.0004482800000000, 0.0005666300000000 ] - [ -0.0001077500000000, -0.0001108900000000, 0.0000978200000000 ] - [ -0.0003693000000000, -0.0018269600000000, -0.0007104100000000 ] - [ -0.0000475900000000, -0.0001929500000000, -0.0000508000000000 ] - [ 0.0002814500000000, -0.0008390800000000, -0.0004783000000000 ] - [ -0.0019114400000000, -0.0030295500000000, 0.0046007800000000 ] - [ 0.0015745000000000, 0.0042050700000000, 0.0017245600000000 ] - [ -0.0067619700000000, -0.0751586100000000, -0.0250134600000000 ]- atom: 4 displacement: [ -0.0027030911372206, 0.0000000000000000, 0.0096277358866911 ] forces: - [ 0.0002786700000000, 0.0002214300000000, 0.0003342400000000 ] - [ 0.0002012800000000, 0.0001504700000000, 0.0001171100000000 ] - [ 0.0001249500000000, -0.0003696800000000, -0.0000407300000000 ] - [ 0.0327671300000000, 0.0020985200000000, -0.0875720600000000 ] - [ 0.0009686400000000, -0.0011816500000000, -0.0012844700000000 ] - [ -0.0000698200000000, 0.0003478000000000, -0.0000028300000000 ] - [ 0.0000169300000000, 0.0005658500000000, 0.0005670900000000 ] - [ 0.0002129800000000, -0.0004150400000000, 0.0004766100000000 ] - [ 0.0040032900000000, 0.0048400900000000, 0.0068688300000000 ] - [ -0.0055920000000000, -0.0026775300000000, 0.0098036300000000 ] - [ -0.0021102100000000, 0.0008471700000000, 0.0002523200000000 ] - [ -0.0000586600000000, -0.0001524700000000, -0.0000221700000000 ] - [ -0.0003871200000000, -0.0005077300000000, 0.0000569500000000 ] - [ 0.0001001400000000, -0.0001957100000000, 0.0002486600000000 ] - [ 0.0001180600000000, 0.0002063600000000, 0.0003213900000000 ] - [ -0.0000187900000000, -0.0006113000000000, -0.0001542800000000 ] - [ -0.0313731300000000, 0.0002334100000000, 0.0226348400000000 ] - [ 0.0003386100000000, -0.0004625200000000, -0.0001419900000000 ] - [ 0.0000689200000000, 0.0000927600000000, -0.0000685900000000 ] - [ -0.0000278500000000, -0.0000218700000000, 0.0000698000000000 ] - [ 0.0003648200000000, 0.0001150500000000, 0.0000281900000000 ] - [ 0.0000338400000000, 0.0001803000000000, 0.0000602000000000 ] - [ 0.0001574700000000, 0.0003045800000000, 0.0005603500000000 ] - [ -0.0005132900000000, 0.0003570900000000, 0.0001214700000000 ] - [ 0.0001944400000000, -0.0004486900000000, -0.0002467100000000 ] - [ 0.0000859300000000, -0.0000154400000000, -0.0003910600000000 ] - [ 0.0000286600000000, -0.0001223500000000, 0.0001837900000000 ] - [ 0.0001642900000000, -0.0001559300000000, 0.0002510500000000 ] - [ -0.0001964200000000, -0.0002027400000000, -0.0002129100000000 ] - [ -0.0001247600000000, -0.0001145200000000, 0.0001385000000000 ] - [ 0.0025965700000000, -0.0043391400000000, -0.0031289000000000 ] - [ -0.0009530700000000, -0.0001303300000000, -0.0001274600000000 ] - [ -0.0001286500000000, -0.0003160100000000, -0.0001250000000000 ] - [ 0.0001246200000000, 0.0003129200000000, -0.0001722700000000 ] - [ 0.0059921100000000, -0.0099293200000000, 0.0212085600000000 ] - [ -0.0005718700000000, -0.0002976900000000, 0.0003834900000000 ] - [ 0.0001078800000000, -0.0000860300000000, 0.0002462100000000 ] - [ -0.0010218300000000, 0.0012528500000000, 0.0001527700000000 ] - [ -0.0000496800000000, -0.0001114700000000, 0.0000236000000000 ] - [ 0.0000611600000000, -0.0000614200000000, -0.0000904100000000 ] - [ 0.0001983200000000, 0.0005989900000000, -0.0002084600000000 ] - [ -0.0001115900000000, 0.0002885500000000, -0.0000693600000000 ] - [ -0.0001372000000000, 0.0001498500000000, 0.0000486000000000 ] - [ 0.0003236800000000, -0.0000246300000000, 0.0000768300000000 ] - [ 0.0000434900000000, -0.0001513000000000, 0.0001250900000000 ] - [ -0.0001333700000000, -0.0001623300000000, -0.0001034700000000 ] - [ 0.0000560500000000, 0.0000586500000000, 0.0002420700000000 ] - [ 0.0001419500000000, -0.0001906100000000, -0.0004094000000000 ] - [ -0.0001715100000000, -0.0003240300000000, -0.0001733200000000 ] - [ -0.0001535000000000, -0.0001382300000000, -0.0001082500000000 ] - [ 0.0001103700000000, 0.0004272300000000, 0.0001307400000000 ] - [ -0.0004687900000000, -0.0003428800000000, 0.0003738900000000 ] - [ -0.0001242200000000, 0.0002495300000000, -0.0002689900000000 ] - [ -0.0001440500000000, 0.0002679300000000, 0.0002680700000000 ] - [ 0.0001431200000000, 0.0000798700000000, -0.0008376300000000 ] - [ 0.0004174400000000, -0.0002249000000000, -0.0000638800000000 ] - [ 0.0001107400000000, 0.0000621600000000, -0.0003546500000000 ] - [ -0.0000819400000000, -0.0001345400000000, 0.0001298500000000 ] - [ 0.0000625600000000, 0.0001077200000000, 0.0001748800000000 ] - [ -0.0001038500000000, -0.0001615600000000, 0.0001815900000000 ] - [ -0.0002139200000000, -0.0004003800000000, 0.0001882500000000 ] - [ -0.0003930900000000, 0.0000824400000000, 0.0005089200000000 ] - [ 0.0000223800000000, 0.0002411300000000, 0.0004234300000000 ] - [ -0.0008981600000000, -0.0004270600000000, 0.0015549800000000 ] - [ -0.0000333200000000, -0.0000533100000000, -0.0001234100000000 ] - [ -0.0001287500000000, 0.0000652700000000, -0.0000684400000000 ] - [ 0.0002189800000000, 0.0003229700000000, 0.0001859100000000 ] - [ -0.0001194900000000, 0.0000706800000000, -0.0002445200000000 ] - [ 0.0000948400000000, -0.0000042800000000, 0.0000515700000000 ] - [ 0.0001880600000000, -0.0001820500000000, 0.0008315200000000 ] - [ 0.0000863100000000, 0.0002256500000000, -0.0001436400000000 ] - [ 0.0003237800000000, 0.0002699700000000, 0.0005709400000000 ] - [ 0.0000619500000000, -0.0002896700000000, 0.0000441700000000 ] - [ 0.0000719300000000, 0.0000119500000000, 0.0002425400000000 ] - [ -0.0002510800000000, 0.0000612800000000, -0.0005363100000000 ] - [ 0.0018177200000000, -0.0031406500000000, -0.0031669200000000 ] - [ -0.0002160700000000, -0.0001516400000000, -0.0005288900000000 ] - [ -0.0001063400000000, -0.0001124200000000, 0.0001047000000000 ] - [ 0.0001718700000000, 0.0003095400000000, 0.0010531000000000 ] - [ -0.0000327400000000, -0.0001901600000000, -0.0000346100000000 ] - [ 0.0001169900000000, -0.0004366900000000, -0.0003305900000000 ] - [ -0.0048741900000000, -0.0033828000000000, 0.0072624800000000 ] - [ 0.0031744800000000, 0.0062099800000000, 0.0069629400000000 ] - [ -0.0049740400000000, 0.0112647500000000, 0.0147098800000000 ]- atom: 4 displacement: [ 0.0027030911372206, 0.0000000000000000, -0.0096277358866911 ] forces: - [ 0.0001136500000000, 0.0001601800000000, 0.0000661900000000 ] - [ 0.0000950800000000, 0.0001059900000000, 0.0001258900000000 ] - [ -0.0003301500000000, -0.0000260200000000, -0.0004413500000000 ] - [ -0.0331466100000000, -0.0024811500000000, 0.0879843300000000 ] - [ -0.0009967900000000, 0.0011942400000000, 0.0013699900000000 ] - [ -0.0000416600000000, 0.0002131100000000, -0.0000544900000000 ] - [ -0.0001983300000000, -0.0002903000000000, -0.0002838500000000 ] - [ 0.0001294900000000, -0.0002573800000000, -0.0001310800000000 ] - [ -0.0043092000000000, -0.0046149300000000, -0.0066784000000000 ] - [ 0.0052290100000000, 0.0035614400000000, -0.0096103600000000 ] - [ 0.0020838200000000, -0.0007452000000000, -0.0004808100000000 ] - [ -0.0000655900000000, -0.0001662300000000, -0.0000440800000000 ] - [ 0.0003181900000000, 0.0007495400000000, -0.0003628700000000 ] - [ 0.0001118100000000, -0.0002043800000000, 0.0002424700000000 ] - [ 0.0001426200000000, 0.0004052400000000, -0.0001182100000000 ] - [ -0.0001232700000000, 0.0004419600000000, -0.0000061400000000 ] - [ 0.0323035200000000, 0.0003888800000000, -0.0225060600000000 ] - [ 0.0001318200000000, -0.0003424700000000, -0.0001902700000000 ] - [ -0.0000369100000000, -0.0000716600000000, -0.0000252200000000 ] - [ -0.0000046000000000, -0.0000007400000000, 0.0000258000000000 ] - [ -0.0002436900000000, 0.0002048300000000, 0.0000368100000000 ] - [ 0.0000333500000000, 0.0000424100000000, -0.0001341500000000 ] - [ -0.0000372300000000, -0.0006096900000000, -0.0004909200000000 ] - [ 0.0006394100000000, -0.0003694900000000, 0.0003520700000000 ] - [ -0.0002599600000000, 0.0002032400000000, -0.0000716200000000 ] - [ 0.0001410100000000, -0.0002993600000000, 0.0000463500000000 ] - [ 0.0000416400000000, -0.0001181100000000, 0.0001357800000000 ] - [ 0.0000948000000000, -0.0004522600000000, -0.0000450100000000 ] - [ -0.0001972800000000, -0.0001799700000000, -0.0001878300000000 ] - [ -0.0001112300000000, -0.0001487100000000, 0.0000879400000000 ] - [ -0.0028876200000000, 0.0045795300000000, 0.0028688800000000 ] - [ 0.0010039000000000, -0.0000988400000000, 0.0000484500000000 ] - [ -0.0001300500000000, -0.0002941800000000, -0.0000779500000000 ] - [ 0.0001025400000000, 0.0000018200000000, -0.0001689900000000 ] - [ -0.0065575200000000, 0.0106519600000000, -0.0214868200000000 ] - [ 0.0002279900000000, 0.0006419600000000, -0.0005767900000000 ] - [ 0.0002384100000000, -0.0002584200000000, -0.0000502000000000 ] - [ 0.0009435900000000, -0.0010130800000000, -0.0000906000000000 ] - [ -0.0000176600000000, -0.0001116500000000, 0.0000491200000000 ] - [ 0.0001509500000000, 0.0003033800000000, -0.0001161200000000 ] - [ 0.0001986700000000, -0.0009700800000000, 0.0006066100000000 ] - [ 0.0000376300000000, 0.0000219200000000, -0.0001896000000000 ] - [ 0.0002914000000000, 0.0000185000000000, 0.0001151800000000 ] - [ -0.0001085100000000, -0.0002115100000000, -0.0002765900000000 ] - [ 0.0000314500000000, -0.0001588000000000, 0.0001368200000000 ] - [ -0.0002146800000000, -0.0001804900000000, -0.0000923100000000 ] - [ -0.0000486600000000, 0.0000331500000000, -0.0000204700000000 ] - [ 0.0001569400000000, -0.0000690900000000, 0.0006444600000000 ] - [ -0.0001778400000000, -0.0003432000000000, -0.0001636200000000 ] - [ -0.0001439400000000, -0.0001185000000000, -0.0001342300000000 ] - [ 0.0000720000000000, -0.0001484700000000, -0.0004183500000000 ] - [ 0.0006341000000000, 0.0000619500000000, -0.0006421200000000 ] - [ -0.0000887200000000, 0.0001502200000000, -0.0002185500000000 ] - [ -0.0002028200000000, 0.0003959600000000, -0.0005994200000000 ] - [ -0.0001085600000000, -0.0001062600000000, 0.0007331300000000 ] - [ -0.0002676100000000, 0.0000553700000000, 0.0002238700000000 ] - [ -0.0002356500000000, -0.0000706500000000, -0.0001168800000000 ] - [ -0.0000997600000000, -0.0001459800000000, 0.0001526300000000 ] - [ 0.0002844500000000, 0.0002349400000000, 0.0000217300000000 ] - [ -0.0001232400000000, -0.0001534400000000, 0.0001601400000000 ] - [ -0.0002594200000000, -0.0004023200000000, 0.0001431300000000 ] - [ 0.0001703100000000, 0.0002361000000000, -0.0001650000000000 ] - [ -0.0002769100000000, 0.0003698900000000, -0.0006210500000000 ] - [ 0.0010108900000000, 0.0000402600000000, -0.0014550500000000 ] - [ 0.0000260200000000, -0.0000383100000000, -0.0000984700000000 ] - [ -0.0000275200000000, 0.0001020200000000, -0.0000907200000000 ] - [ 0.0001298300000000, 0.0003425100000000, 0.0001516200000000 ] - [ 0.0003564700000000, 0.0001936800000000, 0.0000206300000000 ] - [ 0.0000033600000000, 0.0003975800000000, 0.0000295200000000 ] - [ -0.0001907100000000, 0.0000972400000000, -0.0006004500000000 ] - [ 0.0003892400000000, 0.0005793600000000, -0.0001830100000000 ] - [ -0.0005379100000000, -0.0000318200000000, -0.0003630000000000 ] - [ 0.0000497400000000, -0.0002710900000000, 0.0000133900000000 ] - [ 0.0000529200000000, -0.0000034300000000, 0.0002304700000000 ] - [ 0.0001251600000000, -0.0000542000000000, 0.0000590600000000 ] - [ -0.0018923500000000, 0.0035355900000000, 0.0030927900000000 ] - [ 0.0001073800000000, -0.0004042100000000, 0.0004695900000000 ] - [ -0.0001054000000000, -0.0001283000000000, 0.0001025400000000 ] - [ -0.0002471700000000, -0.0006368600000000, -0.0013140900000000 ] - [ -0.0000658900000000, -0.0002002700000000, -0.0000460600000000 ] - [ 0.0001180200000000, 0.0001662000000000, 0.0001021900000000 ] - [ 0.0049855300000000, 0.0036788300000000, -0.0070472700000000 ] - [ -0.0030026600000000, -0.0058424500000000, -0.0065427900000000 ] - [ 0.0046131700000000, -0.0107170400000000, -0.0148203000000000 ]- atom: 5 displacement: [ 0.0099998398488412, 0.0000000000000000, -0.0000565950309369 ] forces: - [ 0.0001987300000000, 0.0001170900000000, 0.0002034600000000 ] - [ 0.0001652000000000, 0.0001675400000000, 0.0000814200000000 ] - [ -0.0005703100000000, -0.0003357700000000, 0.0001617900000000 ] - [ -0.0008601600000000, 0.0017115500000000, 0.0008881200000000 ] - [ -0.1264494300000000, -0.0005363000000000, 0.0078640300000000 ] - [ -0.0000627500000000, 0.0002684400000000, -0.0000368100000000 ] - [ 0.0002081800000000, 0.0000121600000000, 0.0005183200000000 ] - [ 0.0003299100000000, 0.0002165500000000, 0.0011846300000000 ] - [ -0.0000875200000000, 0.0002119400000000, -0.0001979900000000 ] - [ -0.0003383600000000, 0.0004649800000000, 0.0002637600000000 ] - [ 0.0749644400000000, 0.0024710800000000, -0.0274112800000000 ] - [ -0.0000396600000000, -0.0001442600000000, -0.0000368200000000 ] - [ 0.0000100800000000, 0.0001345100000000, -0.0001437200000000 ] - [ 0.0001131400000000, -0.0001992100000000, 0.0002561000000000 ] - [ 0.0001520900000000, 0.0002937700000000, 0.0001783600000000 ] - [ -0.0003140200000000, -0.0002264800000000, 0.0003146500000000 ] - [ 0.0035549700000000, -0.0001251400000000, -0.0008210400000000 ] - [ 0.0001931700000000, -0.0004244800000000, -0.0000790100000000 ] - [ 0.0001365100000000, 0.0000523600000000, -0.0002421200000000 ] - [ -0.0000487000000000, -0.0000348700000000, 0.0000788300000000 ] - [ 0.0000811900000000, 0.0001175700000000, 0.0000705700000000 ] - [ 0.0000318200000000, 0.0001916200000000, 0.0000358500000000 ] - [ 0.0001428900000000, -0.0000611900000000, 0.0002724900000000 ] - [ 0.0241398500000000, -0.0113731800000000, 0.0198648300000000 ] - [ -0.0000400000000000, -0.0001268600000000, -0.0002421000000000 ] - [ 0.0003174000000000, 0.0002240800000000, -0.0000852800000000 ] - [ 0.0000291700000000, -0.0000861000000000, 0.0001404800000000 ] - [ 0.0003593100000000, -0.0003352300000000, -0.0002069100000000 ] - [ -0.0000920100000000, -0.0002050300000000, -0.0002438200000000 ] - [ -0.0001562000000000, -0.0001762800000000, -0.0000199600000000 ] - [ 0.0022853800000000, 0.0048731200000000, 0.0020866400000000 ] - [ -0.0000152800000000, -0.0009484900000000, -0.0003846600000000 ] - [ -0.0001242300000000, -0.0002869900000000, -0.0000698700000000 ] - [ 0.0001435900000000, 0.0001138900000000, -0.0001868300000000 ] - [ 0.0000685900000000, 0.0000720500000000, 0.0000150600000000 ] - [ 0.0010785700000000, -0.0033233500000000, -0.0105691100000000 ] - [ 0.0008521900000000, 0.0002515400000000, -0.0005029900000000 ] - [ 0.0107338700000000, -0.0041868900000000, 0.0002438700000000 ] - [ -0.0000363900000000, -0.0001028300000000, 0.0000330500000000 ] - [ 0.0000596500000000, 0.0001191100000000, -0.0000823000000000 ] - [ 0.0038592300000000, -0.0010619600000000, -0.0014580500000000 ] - [ -0.0000268900000000, 0.0001334400000000, -0.0000585500000000 ] - [ -0.0002247000000000, 0.0003623900000000, -0.0001932500000000 ] - [ 0.0000797800000000, 0.0002179500000000, 0.0009623900000000 ] - [ 0.0000481600000000, -0.0001643700000000, 0.0001076600000000 ] - [ -0.0001722700000000, -0.0001719800000000, -0.0000779600000000 ] - [ 0.0001595500000000, 0.0000081600000000, 0.0001828600000000 ] - [ 0.0008448300000000, 0.0010916800000000, -0.0018184700000000 ] - [ -0.0001587000000000, -0.0003320600000000, -0.0001607300000000 ] - [ -0.0001902400000000, -0.0001447100000000, -0.0001463000000000 ] - [ 0.0000789800000000, 0.0001573100000000, -0.0001481200000000 ] - [ -0.0003995700000000, -0.0000944200000000, 0.0001440200000000 ] - [ -0.0001435100000000, 0.0002243700000000, -0.0002589600000000 ] - [ 0.0012973900000000, 0.0002970800000000, 0.0030484500000000 ] - [ 0.0005752800000000, 0.0030294700000000, 0.0011472400000000 ] - [ 0.0000345100000000, -0.0002399800000000, -0.0000910100000000 ] - [ -0.0001111100000000, -0.0000213300000000, -0.0002591500000000 ] - [ -0.0001046100000000, -0.0001327100000000, 0.0001171200000000 ] - [ 0.0000775500000000, 0.0001813400000000, -0.0000348700000000 ] - [ -0.0001043900000000, -0.0001717600000000, 0.0001760300000000 ] - [ -0.0002272000000000, -0.0004147700000000, 0.0001710800000000 ] - [ 0.0001906300000000, -0.0005718900000000, 0.0005930200000000 ] - [ -0.0028544600000000, -0.0005367800000000, 0.0005754100000000 ] - [ 0.0002511100000000, 0.0000190600000000, -0.0002109100000000 ] - [ 0.0000034700000000, -0.0000438300000000, -0.0001449400000000 ] - [ 0.0000784600000000, 0.0000577200000000, -0.0000388000000000 ] - [ 0.0001652900000000, 0.0003324200000000, 0.0001744100000000 ] - [ 0.0001729000000000, 0.0002018400000000, -0.0000607400000000 ] - [ 0.0000617400000000, 0.0001795300000000, 0.0000593700000000 ] - [ 0.0010001900000000, -0.0007314400000000, 0.0006517500000000 ] - [ 0.0001877100000000, 0.0004964400000000, -0.0001563400000000 ] - [ 0.0022918300000000, 0.0016874100000000, -0.0010118200000000 ] - [ 0.0000677400000000, -0.0002609800000000, 0.0000125800000000 ] - [ 0.0000645200000000, 0.0000160300000000, 0.0002595300000000 ] - [ 0.0004544800000000, 0.0009477800000000, 0.0008674300000000 ] - [ -0.0003379600000000, 0.0088786300000000, 0.0026433200000000 ] - [ 0.0005171200000000, -0.0011533800000000, 0.0008804800000000 ] - [ -0.0001207900000000, -0.0001154800000000, 0.0001045400000000 ] - [ -0.0003514000000000, -0.0002859300000000, -0.0000717900000000 ] - [ -0.0000366800000000, -0.0001778200000000, -0.0000471400000000 ] - [ 0.0008520900000000, -0.0004106600000000, 0.0006243800000000 ] - [ 0.0002119300000000, 0.0002753900000000, 0.0002520800000000 ] - [ 0.0002629800000000, -0.0001472200000000, 0.0006308600000000 ] - [ 0.0005601500000000, -0.0002560000000000, -0.0011318100000000 ]- atom: 5 displacement: [ -0.0099998398488412, 0.0000000000000000, 0.0000565950309369 ] forces: - [ 0.0001837500000000, 0.0002588300000000, 0.0002250500000000 ] - [ 0.0001509000000000, 0.0001009200000000, 0.0001478200000000 ] - [ 0.0003341800000000, -0.0000541500000000, -0.0006855400000000 ] - [ 0.0009369000000000, -0.0013885900000000, -0.0006611800000000 ] - [ 0.1231445600000000, -0.0002660700000000, -0.0057725600000000 ] - [ -0.0000446000000000, 0.0003019500000000, 0.0000140100000000 ] - [ -0.0003844600000000, 0.0002788500000000, -0.0002356200000000 ] - [ -0.0000125500000000, -0.0008707100000000, -0.0008462900000000 ] - [ -0.0001654300000000, 0.0000732600000000, 0.0004374900000000 ] - [ -0.0001616800000000, 0.0003431500000000, 0.0000932300000000 ] - [ -0.0714654900000000, -0.0022226900000000, 0.0256097800000000 ] - [ -0.0000504500000000, -0.0001443400000000, -0.0000390000000000 ] - [ -0.0000940400000000, 0.0000799200000000, -0.0001882600000000 ] - [ 0.0001311500000000, -0.0001880800000000, 0.0002406100000000 ] - [ 0.0000944700000000, 0.0002869800000000, 0.0000188600000000 ] - [ 0.0001744300000000, 0.0000418700000000, -0.0004475700000000 ] - [ -0.0034653700000000, 0.0006724100000000, 0.0008462500000000 ] - [ 0.0003058400000000, -0.0003915100000000, -0.0002794500000000 ] - [ -0.0000984000000000, -0.0000267100000000, 0.0001512100000000 ] - [ 0.0000119000000000, 0.0000093900000000, 0.0000097200000000 ] - [ 0.0000101200000000, 0.0001721700000000, 0.0000049200000000 ] - [ 0.0000278900000000, 0.0000369400000000, -0.0000808600000000 ] - [ -0.0000503200000000, -0.0002380800000000, -0.0001989700000000 ] - [ -0.0242704300000000, 0.0117616200000000, -0.0200312800000000 ] - [ -0.0000429600000000, -0.0000902300000000, -0.0000871600000000 ] - [ -0.0000645600000000, -0.0005426700000000, -0.0002614400000000 ] - [ 0.0000541300000000, -0.0001285700000000, 0.0001916300000000 ] - [ -0.0001043700000000, -0.0002407400000000, 0.0004047000000000 ] - [ -0.0002900600000000, -0.0001709500000000, -0.0001869200000000 ] - [ -0.0000884900000000, -0.0001159700000000, 0.0002662700000000 ] - [ -0.0025762200000000, -0.0046161400000000, -0.0023080100000000 ] - [ 0.0000587900000000, 0.0007017400000000, 0.0003499700000000 ] - [ -0.0001222800000000, -0.0002936100000000, -0.0001256900000000 ] - [ 0.0000941300000000, 0.0001924000000000, -0.0001656400000000 ] - [ -0.0001564500000000, 0.0002154400000000, -0.0000860300000000 ] - [ -0.0013963100000000, 0.0036461300000000, 0.0102858500000000 ] - [ -0.0004903800000000, -0.0006166500000000, 0.0006883400000000 ] - [ -0.0106793100000000, 0.0046842900000000, -0.0001056400000000 ] - [ -0.0000228500000000, -0.0001267200000000, 0.0000105100000000 ] - [ 0.0001716400000000, 0.0001365400000000, -0.0001461400000000 ] - [ -0.0035604200000000, 0.0006900200000000, 0.0019207300000000 ] - [ -0.0000434300000000, 0.0001883000000000, -0.0001764500000000 ] - [ 0.0003581800000000, -0.0001792900000000, 0.0003268600000000 ] - [ 0.0001465000000000, -0.0004651700000000, -0.0011745000000000 ] - [ 0.0000244500000000, -0.0001590500000000, 0.0001282300000000 ] - [ -0.0001981900000000, -0.0001926800000000, -0.0000902300000000 ] - [ -0.0001471200000000, 0.0000658200000000, 0.0000744900000000 ] - [ -0.0005843600000000, -0.0013660200000000, 0.0020846700000000 ] - [ -0.0001651700000000, -0.0003245500000000, -0.0001688600000000 ] - [ -0.0001281900000000, -0.0001227900000000, -0.0000824400000000 ] - [ 0.0000885000000000, 0.0001232900000000, -0.0001451200000000 ] - [ 0.0005655100000000, -0.0001895700000000, -0.0004362400000000 ] - [ -0.0001013500000000, 0.0001620700000000, -0.0002391100000000 ] - [ -0.0016765400000000, 0.0004295700000000, -0.0034028900000000 ] - [ -0.0005477600000000, -0.0030255300000000, -0.0012923900000000 ] - [ 0.0000909800000000, 0.0000672900000000, 0.0002237800000000 ] - [ -0.0000257800000000, 0.0000036900000000, -0.0002056300000000 ] - [ -0.0000629100000000, -0.0001474400000000, 0.0001759800000000 ] - [ 0.0002906700000000, 0.0001828700000000, 0.0002067200000000 ] - [ -0.0001311800000000, -0.0001343300000000, 0.0001758400000000 ] - [ -0.0002705300000000, -0.0003951000000000, 0.0001864300000000 ] - [ -0.0004150600000000, 0.0008646200000000, -0.0002150700000000 ] - [ 0.0026196700000000, 0.0010608100000000, -0.0006999200000000 ] - [ -0.0001503200000000, -0.0004327000000000, 0.0002995600000000 ] - [ -0.0000143300000000, -0.0000309600000000, -0.0001134800000000 ] - [ -0.0002159800000000, 0.0001227100000000, -0.0000872300000000 ] - [ 0.0001594800000000, 0.0003245000000000, 0.0001566300000000 ] - [ 0.0000704900000000, 0.0000910800000000, -0.0001801500000000 ] - [ 0.0000427400000000, 0.0002250100000000, 0.0000224600000000 ] - [ -0.0009928200000000, 0.0006898500000000, -0.0004040200000000 ] - [ 0.0003093400000000, 0.0003109800000000, -0.0002035800000000 ] - [ -0.0025181200000000, -0.0013993300000000, 0.0013306800000000 ] - [ 0.0000380800000000, -0.0003065900000000, 0.0000097100000000 ] - [ 0.0000729500000000, 0.0000028900000000, 0.0002048600000000 ] - [ -0.0005693000000000, -0.0009425900000000, -0.0013331500000000 ] - [ 0.0002394500000000, -0.0084986100000000, -0.0027423500000000 ] - [ -0.0006138000000000, 0.0005833400000000, -0.0008903200000000 ] - [ -0.0001128100000000, -0.0001392300000000, 0.0001258600000000 ] - [ 0.0002756800000000, -0.0000342600000000, -0.0001698000000000 ] - [ -0.0000670000000000, -0.0002254700000000, -0.0000354100000000 ] - [ -0.0006189000000000, 0.0001357200000000, -0.0008817500000000 ] - [ -0.0001252500000000, -0.0000543700000000, 0.0000846600000000 ] - [ -0.0000125900000000, 0.0005314400000000, -0.0001341500000000 ] - [ -0.0009107800000000, 0.0006481200000000, 0.0007091100000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001899200000000, 0.0002867900000000, 0.0002547500000000 ] - [ 0.0001449900000000, 0.0001411100000000, 0.0001339300000000 ] - [ 0.0001928600000000, -0.0004461000000000, -0.0008577500000000 ] - [ 0.0015403200000000, -0.0007859800000000, -0.0006982600000000 ] - [ 0.0001091400000000, -0.1197636800000000, -0.0072562700000000 ] - [ 0.0000625200000000, 0.0002692200000000, 0.0000047400000000 ] - [ -0.0009794400000000, 0.0000813600000000, 0.0001539800000000 ] - [ 0.0014697600000000, -0.0011738100000000, 0.0000071800000000 ] - [ -0.0002128200000000, 0.0000031400000000, 0.0001001900000000 ] - [ -0.0000351200000000, 0.0001972100000000, 0.0004091400000000 ] - [ -0.0022439700000000, 0.0109248700000000, 0.0002275200000000 ] - [ -0.0000611900000000, -0.0001434400000000, -0.0000293700000000 ] - [ -0.0000710300000000, 0.0001677400000000, -0.0002098400000000 ] - [ 0.0001154900000000, -0.0002111600000000, 0.0002335000000000 ] - [ 0.0002357100000000, 0.0003370000000000, 0.0000506300000000 ] - [ -0.0001416800000000, -0.0000757900000000, -0.0002348900000000 ] - [ -0.0003654700000000, 0.0016268700000000, 0.0007931400000000 ] - [ 0.0002266900000000, -0.0004960300000000, -0.0002325300000000 ] - [ -0.0000207900000000, -0.0000588600000000, 0.0000441200000000 ] - [ 0.0000042600000000, 0.0000026500000000, 0.0000038400000000 ] - [ 0.0000561900000000, 0.0000954300000000, 0.0000154000000000 ] - [ 0.0000142900000000, 0.0000853200000000, -0.0000605900000000 ] - [ 0.0001212600000000, -0.0003999000000000, -0.0001116900000000 ] - [ -0.0115365700000000, 0.0247411500000000, -0.0207932900000000 ] - [ -0.0000512900000000, -0.0000877000000000, -0.0000352400000000 ] - [ 0.0006183800000000, 0.0000675800000000, -0.0006402200000000 ] - [ -0.0000293700000000, -0.0001858500000000, 0.0000875100000000 ] - [ -0.0000891500000000, -0.0006729800000000, 0.0001219600000000 ] - [ -0.0001721900000000, -0.0001733100000000, -0.0002028500000000 ] - [ -0.0001566700000000, -0.0001355900000000, 0.0000988000000000 ] - [ 0.0086832400000000, -0.0000155400000000, -0.0035460400000000 ] - [ -0.0001866000000000, 0.0067314400000000, 0.0016112900000000 ] - [ -0.0001259800000000, -0.0002818700000000, -0.0000893300000000 ] - [ 0.0001243600000000, 0.0001400600000000, -0.0001774500000000 ] - [ -0.0001238700000000, 0.0003419000000000, -0.0000438700000000 ] - [ 0.0005618800000000, 0.0027706600000000, 0.0008091400000000 ] - [ 0.0007523500000000, -0.0006212800000000, -0.0009976000000000 ] - [ 0.0001701100000000, 0.0685143400000000, 0.0266709200000000 ] - [ -0.0000173100000000, -0.0001116100000000, 0.0000286600000000 ] - [ 0.0001651300000000, 0.0001486700000000, -0.0001140900000000 ] - [ -0.0007784000000000, -0.0002552000000000, 0.0001868600000000 ] - [ -0.0000658800000000, 0.0002059900000000, -0.0002138600000000 ] - [ 0.0000329400000000, -0.0002315600000000, -0.0002396900000000 ] - [ -0.0007830200000000, 0.0007393400000000, -0.0010178300000000 ] - [ 0.0000152800000000, -0.0001555000000000, 0.0001250000000000 ] - [ -0.0002473800000000, -0.0001804700000000, -0.0001146000000000 ] - [ -0.0000579300000000, 0.0000265600000000, 0.0000589100000000 ] - [ 0.0022117300000000, -0.0000328000000000, -0.0005487000000000 ] - [ -0.0001525000000000, -0.0003269100000000, -0.0001750000000000 ] - [ -0.0001832100000000, -0.0001221400000000, -0.0001198400000000 ] - [ 0.0000517600000000, 0.0001689700000000, -0.0001948900000000 ] - [ 0.0000688700000000, 0.0000252200000000, -0.0005598600000000 ] - [ -0.0001309500000000, 0.0002411200000000, -0.0002338800000000 ] - [ -0.0007275700000000, -0.0020424200000000, -0.0001574900000000 ] - [ 0.0030829500000000, -0.0007199800000000, 0.0035699500000000 ] - [ 0.0000661600000000, -0.0001773700000000, 0.0001345900000000 ] - [ -0.0000703400000000, 0.0000226800000000, -0.0002419800000000 ] - [ -0.0000676700000000, -0.0001395000000000, 0.0001657000000000 ] - [ 0.0002170700000000, 0.0002045800000000, 0.0002242900000000 ] - [ -0.0001051900000000, -0.0001573900000000, 0.0001698400000000 ] - [ -0.0002215300000000, -0.0004118200000000, 0.0000969700000000 ] - [ -0.0002336800000000, 0.0000877300000000, 0.0001046000000000 ] - [ 0.0002483400000000, 0.0023702300000000, -0.0041430500000000 ] - [ -0.0002233100000000, -0.0005153700000000, 0.0001430300000000 ] - [ 0.0000333200000000, -0.0000308100000000, -0.0001172500000000 ] - [ -0.0000102700000000, 0.0002014000000000, 0.0000034700000000 ] - [ 0.0001522600000000, 0.0003430400000000, 0.0001640300000000 ] - [ 0.0000553400000000, 0.0000709700000000, -0.0002468300000000 ] - [ 0.0000578000000000, 0.0002293600000000, 0.0000695600000000 ] - [ -0.0013570800000000, 0.0001836600000000, -0.0009518600000000 ] - [ 0.0002620900000000, 0.0003117200000000, -0.0000250900000000 ] - [ -0.0034850400000000, 0.0010024500000000, 0.0095313900000000 ] - [ 0.0000503200000000, -0.0002455500000000, -0.0000082100000000 ] - [ 0.0000723300000000, 0.0000138200000000, 0.0002406300000000 ] - [ 0.0009374600000000, 0.0013276600000000, 0.0010939600000000 ] - [ 0.0045455600000000, 0.0024216200000000, -0.0022424000000000 ] - [ -0.0008958100000000, 0.0001111600000000, -0.0007181800000000 ] - [ -0.0001335800000000, -0.0001326700000000, 0.0001198300000000 ] - [ -0.0001000200000000, -0.0001053300000000, -0.0000420900000000 ] - [ -0.0000691100000000, -0.0002372200000000, -0.0000544700000000 ] - [ 0.0002787900000000, 0.0002384700000000, -0.0002510600000000 ] - [ -0.0001722200000000, 0.0002369400000000, -0.0001331800000000 ] - [ 0.0001846800000000, 0.0003793400000000, 0.0001610700000000 ] - [ -0.0012917100000000, 0.0032219300000000, 0.0008584900000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001913500000000, 0.0000911800000000, 0.0001727600000000 ] - [ 0.0001715100000000, 0.0001255000000000, 0.0000975100000000 ] - [ -0.0004394300000000, 0.0000652700000000, 0.0003680000000000 ] - [ -0.0014640000000000, 0.0010987500000000, 0.0009234400000000 ] - [ 0.0004699400000000, 0.1229127700000000, 0.0094130300000000 ] - [ -0.0001687800000000, 0.0003010700000000, -0.0000291800000000 ] - [ 0.0008237200000000, 0.0001875200000000, 0.0001620900000000 ] - [ -0.0011249500000000, 0.0005038000000000, 0.0002973000000000 ] - [ -0.0000281900000000, 0.0002886200000000, 0.0001441900000000 ] - [ -0.0004530600000000, 0.0006186100000000, -0.0000593800000000 ] - [ 0.0019764500000000, -0.0109570800000000, -0.0003687800000000 ] - [ -0.0000300300000000, -0.0001447200000000, -0.0000452000000000 ] - [ -0.0000134400000000, 0.0000467700000000, -0.0001208700000000 ] - [ 0.0001275500000000, -0.0001757400000000, 0.0002625300000000 ] - [ 0.0000105000000000, 0.0002416600000000, 0.0001463100000000 ] - [ 0.0000038200000000, -0.0001011300000000, 0.0001073400000000 ] - [ 0.0004473800000000, -0.0010921800000000, -0.0007673100000000 ] - [ 0.0002710600000000, -0.0003171100000000, -0.0001275900000000 ] - [ 0.0000570000000000, 0.0000829300000000, -0.0001330300000000 ] - [ -0.0000393400000000, -0.0000277700000000, 0.0000829600000000 ] - [ 0.0000347300000000, 0.0001927600000000, 0.0000596000000000 ] - [ 0.0000467900000000, 0.0001445300000000, 0.0000150600000000 ] - [ -0.0000256900000000, 0.0001119900000000, 0.0001835300000000 ] - [ 0.0112317300000000, -0.0244434100000000, 0.0205949900000000 ] - [ -0.0000299900000000, -0.0001289500000000, -0.0002923600000000 ] - [ -0.0003762600000000, -0.0003869500000000, 0.0002893200000000 ] - [ 0.0001125500000000, -0.0000289400000000, 0.0002455300000000 ] - [ 0.0003245400000000, 0.0000827600000000, 0.0000824300000000 ] - [ -0.0002107900000000, -0.0002029200000000, -0.0002273500000000 ] - [ -0.0000864800000000, -0.0001576300000000, 0.0001484500000000 ] - [ -0.0089369500000000, 0.0002853300000000, 0.0032863400000000 ] - [ 0.0002500000000000, -0.0067935400000000, -0.0016149600000000 ] - [ -0.0001206600000000, -0.0002991400000000, -0.0001067500000000 ] - [ 0.0001113200000000, 0.0001676700000000, -0.0001735700000000 ] - [ 0.0000334600000000, -0.0000533300000000, -0.0000271500000000 ] - [ -0.0009702400000000, -0.0024070600000000, -0.0008842100000000 ] - [ -0.0003717800000000, 0.0002526700000000, 0.0011346000000000 ] - [ -0.0002673400000000, -0.0716868200000000, -0.0282173800000000 ] - [ -0.0000424300000000, -0.0001176500000000, 0.0000153400000000 ] - [ 0.0000675200000000, 0.0001052300000000, -0.0001150300000000 ] - [ 0.0011732400000000, -0.0001092300000000, 0.0002595600000000 ] - [ -0.0000062200000000, 0.0001168000000000, -0.0000239800000000 ] - [ 0.0001046100000000, 0.0004121900000000, 0.0003722000000000 ] - [ 0.0010114700000000, -0.0009823600000000, 0.0007518600000000 ] - [ 0.0000560700000000, -0.0001678300000000, 0.0001121800000000 ] - [ -0.0001259100000000, -0.0001840900000000, -0.0000541300000000 ] - [ 0.0000691100000000, 0.0000481400000000, 0.0001990900000000 ] - [ -0.0019142800000000, -0.0002263900000000, 0.0007514200000000 ] - [ -0.0001718500000000, -0.0003299000000000, -0.0001541600000000 ] - [ -0.0001351700000000, -0.0001446200000000, -0.0001093600000000 ] - [ 0.0001165300000000, 0.0001098900000000, -0.0000985600000000 ] - [ 0.0001099000000000, -0.0003072100000000, 0.0002653400000000 ] - [ -0.0001109800000000, 0.0001461500000000, -0.0002579100000000 ] - [ 0.0004689400000000, 0.0026967900000000, -0.0000791400000000 ] - [ -0.0030129000000000, 0.0006776900000000, -0.0036061000000000 ] - [ 0.0000589300000000, 0.0000051900000000, -0.0000048100000000 ] - [ -0.0000649700000000, -0.0000384500000000, -0.0002210700000000 ] - [ -0.0000998000000000, -0.0001416600000000, 0.0001283300000000 ] - [ 0.0001509200000000, 0.0001616800000000, -0.0000576600000000 ] - [ -0.0001308900000000, -0.0001491500000000, 0.0001820100000000 ] - [ -0.0002749700000000, -0.0003995000000000, 0.0002570300000000 ] - [ -0.0000169500000000, 0.0002264700000000, 0.0002366600000000 ] - [ -0.0005581200000000, -0.0017294400000000, 0.0039139000000000 ] - [ 0.0003188300000000, 0.0001218900000000, -0.0000609900000000 ] - [ -0.0000420500000000, -0.0000444400000000, -0.0001394700000000 ] - [ -0.0001295700000000, -0.0000157700000000, -0.0001331200000000 ] - [ 0.0001725500000000, 0.0003131700000000, 0.0001641600000000 ] - [ 0.0001892700000000, 0.0002200300000000, 0.0000067700000000 ] - [ 0.0000463300000000, 0.0001748600000000, 0.0000122300000000 ] - [ 0.0013136900000000, -0.0002519900000000, 0.0012098800000000 ] - [ 0.0002355200000000, 0.0004947000000000, -0.0003345400000000 ] - [ 0.0033014200000000, -0.0008229000000000, -0.0094118400000000 ] - [ 0.0000544700000000, -0.0003215900000000, 0.0000290900000000 ] - [ 0.0000653700000000, 0.0000045900000000, 0.0002230600000000 ] - [ -0.0010523400000000, -0.0013360800000000, -0.0015430900000000 ] - [ -0.0046151900000000, -0.0020371900000000, 0.0021691000000000 ] - [ 0.0007976400000000, -0.0006844100000000, 0.0007041300000000 ] - [ -0.0001004800000000, -0.0001217600000000, 0.0001105000000000 ] - [ 0.0000355000000000, -0.0002209500000000, -0.0001948300000000 ] - [ -0.0000347400000000, -0.0001662400000000, -0.0000289100000000 ] - [ -0.0000405200000000, -0.0005367100000000, 0.0000008900000000 ] - [ 0.0002606000000000, -0.0000275000000000, 0.0004707400000000 ] - [ 0.0000510200000000, 0.0000081500000000, 0.0003368700000000 ] - [ 0.0009128100000000, -0.0028263700000000, -0.0012758800000000 ]- atom: 5 displacement: [ -0.0027030911372206, 0.0000000000000000, 0.0096277358866911 ] forces: - [ 0.0002787100000000, 0.0001534500000000, 0.0001247500000000 ] - [ 0.0001924600000000, 0.0000539900000000, 0.0002023000000000 ] - [ -0.0001249300000000, -0.0004826300000000, 0.0002960500000000 ] - [ 0.0010573600000000, -0.0010205200000000, -0.0011875800000000 ] - [ 0.0393306500000000, -0.0081021100000000, -0.1038292100000000 ] - [ -0.0000478900000000, 0.0004988700000000, 0.0002037000000000 ] - [ 0.0000521700000000, -0.0000996400000000, 0.0002396900000000 ] - [ 0.0007832000000000, 0.0002087100000000, 0.0013183500000000 ] - [ 0.0002842400000000, 0.0001298000000000, 0.0002322400000000 ] - [ -0.0002533700000000, -0.0000487700000000, 0.0002153000000000 ] - [ -0.0346972400000000, 0.0003651100000000, 0.0217002300000000 ] - [ -0.0000346700000000, -0.0001535400000000, -0.0000286300000000 ] - [ -0.0000109900000000, 0.0001018100000000, -0.0001155700000000 ] - [ 0.0001248500000000, -0.0002080500000000, 0.0002518700000000 ] - [ 0.0000667800000000, 0.0002561900000000, 0.0001019900000000 ] - [ 0.0000094800000000, -0.0000672600000000, 0.0002034400000000 ] - [ -0.0018661800000000, 0.0008651200000000, 0.0008400300000000 ] - [ 0.0002230100000000, -0.0004163400000000, -0.0000307800000000 ] - [ -0.0001988000000000, -0.0000821500000000, 0.0004202400000000 ] - [ 0.0000229300000000, 0.0000305000000000, 0.0000233000000000 ] - [ 0.0000278900000000, 0.0001675700000000, -0.0000688800000000 ] - [ 0.0000539100000000, -0.0000017300000000, -0.0001411700000000 ] - [ -0.0000839400000000, 0.0000271300000000, -0.0001543600000000 ] - [ 0.0079566200000000, -0.0126146000000000, 0.0212310700000000 ] - [ -0.0000482500000000, -0.0000848400000000, 0.0001635700000000 ] - [ -0.0009632800000000, -0.0003150400000000, 0.0006912100000000 ] - [ 0.0000181100000000, -0.0001153800000000, 0.0001548600000000 ] - [ 0.0002827800000000, -0.0008530000000000, -0.0001571900000000 ] - [ -0.0002182200000000, -0.0001953100000000, -0.0001685100000000 ] - [ -0.0001859100000000, -0.0001146900000000, 0.0001056200000000 ] - [ 0.0008786600000000, -0.0034389100000000, -0.0027785700000000 ] - [ 0.0001161000000000, 0.0016081300000000, -0.0004531200000000 ] - [ -0.0001262500000000, -0.0002971000000000, -0.0001141400000000 ] - [ 0.0001442800000000, 0.0002527100000000, -0.0001393600000000 ] - [ -0.0002964800000000, 0.0004810500000000, -0.0003354800000000 ] - [ -0.0042944300000000, 0.0005427400000000, 0.0149521700000000 ] - [ -0.0003770600000000, -0.0005856400000000, 0.0002968100000000 ] - [ -0.0043097400000000, 0.0161189400000000, 0.0156775300000000 ] - [ -0.0000080800000000, -0.0001177600000000, 0.0000214500000000 ] - [ 0.0001902700000000, 0.0000883300000000, -0.0001556900000000 ] - [ -0.0021006000000000, -0.0002692400000000, -0.0003490700000000 ] - [ 0.0000673600000000, 0.0001581600000000, -0.0001313400000000 ] - [ 0.0000309700000000, -0.0001053900000000, -0.0001079600000000 ] - [ 0.0005564800000000, -0.0010370700000000, -0.0010683300000000 ] - [ 0.0000148800000000, -0.0001638900000000, 0.0001426400000000 ] - [ -0.0002030300000000, -0.0001702200000000, -0.0000629500000000 ] - [ -0.0003421900000000, 0.0000763700000000, -0.0000269100000000 ] - [ -0.0015157600000000, -0.0007316000000000, 0.0039011300000000 ] - [ -0.0001684300000000, -0.0003182300000000, -0.0001859300000000 ] - [ -0.0000963800000000, -0.0000793700000000, -0.0001440900000000 ] - [ 0.0000786500000000, 0.0001478200000000, -0.0002178600000000 ] - [ -0.0000837700000000, -0.0000930200000000, -0.0002968000000000 ] - [ -0.0001275800000000, 0.0000512800000000, -0.0002608400000000 ] - [ -0.0000100500000000, 0.0031419300000000, 0.0053994600000000 ] - [ 0.0010716800000000, 0.0026094700000000, 0.0037726900000000 ] - [ -0.0003214800000000, 0.0003218600000000, 0.0003302300000000 ] - [ 0.0000322200000000, 0.0000193700000000, -0.0001731100000000 ] - [ -0.0000766800000000, -0.0001474100000000, 0.0001519500000000 ] - [ 0.0006200200000000, 0.0001631400000000, 0.0001676700000000 ] - [ -0.0001331800000000, -0.0001509400000000, 0.0001594500000000 ] - [ -0.0002325300000000, -0.0004752400000000, 0.0001191600000000 ] - [ 0.0001346500000000, 0.0004100500000000, -0.0000886900000000 ] - [ -0.0025228000000000, -0.0001621000000000, 0.0069699600000000 ] - [ 0.0001809600000000, -0.0002939100000000, -0.0006653900000000 ] - [ 0.0000151400000000, -0.0000105200000000, -0.0001476500000000 ] - [ 0.0000261400000000, 0.0002199900000000, -0.0000421200000000 ] - [ 0.0002392700000000, 0.0003693900000000, 0.0002319700000000 ] - [ -0.0000326300000000, 0.0003199400000000, 0.0001279300000000 ] - [ 0.0000767000000000, 0.0003053000000000, -0.0000758400000000 ] - [ -0.0004828100000000, 0.0004761100000000, 0.0003815000000000 ] - [ 0.0002348000000000, 0.0000855500000000, -0.0004111500000000 ] - [ -0.0008737600000000, 0.0036014900000000, 0.0129277300000000 ] - [ 0.0000207100000000, -0.0002586600000000, 0.0000241200000000 ] - [ 0.0000734900000000, 0.0000370400000000, 0.0002064400000000 ] - [ 0.0002206000000000, 0.0017803800000000, 0.0009019400000000 ] - [ 0.0022507100000000, -0.0032989300000000, -0.0030733800000000 ] - [ -0.0000496100000000, -0.0002223400000000, 0.0003969000000000 ] - [ -0.0001332900000000, -0.0001512600000000, 0.0001165200000000 ] - [ 0.0000288500000000, -0.0002666000000000, -0.0009276500000000 ] - [ -0.0000500600000000, -0.0002041800000000, -0.0000686600000000 ] - [ 0.0006895400000000, -0.0000758800000000, 0.0000054100000000 ] - [ -0.0000714200000000, 0.0002120600000000, 0.0007148700000000 ] - [ -0.0000210800000000, 0.0003448700000000, 0.0008473200000000 ] - [ -0.0009634400000000, 0.0012993100000000, 0.0007192300000000 ]- atom: 5 displacement: [ 0.0027030911372206, 0.0000000000000000, -0.0096277358866911 ] forces: - [ 0.0001089600000000, 0.0002269000000000, 0.0002884500000000 ] - [ 0.0001120600000000, 0.0002094100000000, 0.0000370500000000 ] - [ -0.0001195100000000, 0.0000781100000000, -0.0007642700000000 ] - [ -0.0009906200000000, 0.0013441400000000, 0.0014430000000000 ] - [ -0.0400559400000000, 0.0078176600000000, 0.1045027400000000 ] - [ -0.0000607400000000, 0.0000624800000000, -0.0002453400000000 ] - [ -0.0002273700000000, 0.0003800300000000, 0.0000553400000000 ] - [ -0.0004380600000000, -0.0008430200000000, -0.0009543800000000 ] - [ -0.0005368800000000, 0.0001403800000000, 0.0000013500000000 ] - [ -0.0002240200000000, 0.0008609700000000, 0.0001295500000000 ] - [ 0.0357878200000000, -0.0002906800000000, -0.0219875500000000 ] - [ -0.0000729500000000, -0.0001511100000000, -0.0000403000000000 ] - [ -0.0000637300000000, 0.0001277200000000, -0.0002061700000000 ] - [ 0.0001025900000000, -0.0001867800000000, 0.0002387100000000 ] - [ 0.0001860400000000, 0.0003387300000000, 0.0000991300000000 ] - [ -0.0001500400000000, -0.0001014900000000, -0.0003240500000000 ] - [ 0.0019693900000000, -0.0002993800000000, -0.0008131600000000 ] - [ 0.0002594200000000, -0.0003937700000000, -0.0003118400000000 ] - [ 0.0002340900000000, 0.0001050400000000, -0.0005115500000000 ] - [ -0.0000560700000000, -0.0000531800000000, 0.0000649000000000 ] - [ 0.0000798400000000, 0.0001366300000000, 0.0001382800000000 ] - [ 0.0000105900000000, 0.0002296700000000, 0.0000845200000000 ] - [ 0.0001968800000000, -0.0003313900000000, 0.0002232100000000 ] - [ -0.0082565300000000, 0.0129935800000000, -0.0209996200000000 ] - [ -0.0000276300000000, -0.0001417200000000, -0.0004867400000000 ] - [ 0.0011731900000000, 0.0000066600000000, -0.0010302700000000 ] - [ 0.0000578400000000, -0.0001128700000000, 0.0001678600000000 ] - [ -0.0000239100000000, 0.0002539700000000, 0.0003517400000000 ] - [ -0.0001689500000000, -0.0001848200000000, -0.0002470400000000 ] - [ -0.0000563400000000, -0.0001631800000000, 0.0001296700000000 ] - [ -0.0012121600000000, 0.0037095300000000, 0.0025385700000000 ] - [ -0.0000557600000000, -0.0018108200000000, 0.0004254200000000 ] - [ -0.0001258700000000, -0.0002970200000000, -0.0000847500000000 ] - [ 0.0000865800000000, 0.0000573400000000, -0.0002071900000000 ] - [ 0.0001883700000000, -0.0001764100000000, 0.0002701900000000 ] - [ 0.0040592000000000, -0.0001636700000000, -0.0153710400000000 ] - [ 0.0007258000000000, 0.0002347800000000, -0.0001040800000000 ] - [ 0.0042604800000000, -0.0160370300000000, -0.0154023800000000 ] - [ -0.0000562800000000, -0.0001096100000000, 0.0000354800000000 ] - [ 0.0000299000000000, 0.0001606900000000, -0.0000579100000000 ] - [ 0.0024450000000000, -0.0001192100000000, 0.0007651000000000 ] - [ -0.0001393500000000, 0.0001583800000000, -0.0001150400000000 ] - [ 0.0001126100000000, 0.0002763700000000, 0.0002524100000000 ] - [ -0.0003301300000000, 0.0007892900000000, 0.0008659800000000 ] - [ 0.0000576700000000, -0.0001531200000000, 0.0001037600000000 ] - [ -0.0001541800000000, -0.0001836400000000, -0.0001202700000000 ] - [ 0.0003547400000000, 0.0000072800000000, 0.0002639800000000 ] - [ 0.0018431100000000, 0.0004635100000000, -0.0036294700000000 ] - [ -0.0001667500000000, -0.0003432000000000, -0.0001469600000000 ] - [ -0.0002101300000000, -0.0001830400000000, -0.0000949100000000 ] - [ 0.0000974000000000, 0.0001314900000000, -0.0000696400000000 ] - [ 0.0002580100000000, -0.0001896000000000, 0.0000090500000000 ] - [ -0.0000990000000000, 0.0003441700000000, -0.0002275600000000 ] - [ -0.0003561700000000, -0.0024858500000000, -0.0058234000000000 ] - [ -0.0010214700000000, -0.0026461500000000, -0.0039239000000000 ] - [ 0.0004715200000000, -0.0005048700000000, -0.0001892700000000 ] - [ -0.0001658000000000, -0.0000345100000000, -0.0002936700000000 ] - [ -0.0000987000000000, -0.0001313900000000, 0.0001355800000000 ] - [ -0.0002671200000000, 0.0001894900000000, 0.0000268200000000 ] - [ -0.0000975900000000, -0.0001598800000000, 0.0001870800000000 ] - [ -0.0002515100000000, -0.0003353600000000, 0.0002240500000000 ] - [ -0.0003663600000000, -0.0000970000000000, 0.0004414600000000 ] - [ 0.0022916700000000, 0.0008092100000000, -0.0073095000000000 ] - [ -0.0000834100000000, -0.0001095100000000, 0.0007476800000000 ] - [ -0.0000247700000000, -0.0000730900000000, -0.0000933400000000 ] - [ -0.0001729000000000, -0.0000461700000000, -0.0001029200000000 ] - [ 0.0000960600000000, 0.0002912700000000, 0.0001011000000000 ] - [ 0.0002773100000000, -0.0000445300000000, -0.0003619700000000 ] - [ 0.0000254200000000, 0.0000904300000000, 0.0001622500000000 ] - [ 0.0004968400000000, -0.0005363200000000, -0.0001348900000000 ] - [ 0.0002495700000000, 0.0007289800000000, 0.0000734800000000 ] - [ 0.0006302900000000, -0.0034213200000000, -0.0128454200000000 ] - [ 0.0000879400000000, -0.0003039800000000, 0.0000154800000000 ] - [ 0.0000596500000000, -0.0000217200000000, 0.0002606500000000 ] - [ -0.0003606400000000, -0.0017613900000000, -0.0013927600000000 ] - [ -0.0023568700000000, 0.0037162900000000, 0.0029816900000000 ] - [ -0.0000671700000000, -0.0003351600000000, -0.0004407600000000 ] - [ -0.0000891800000000, -0.0000958900000000, 0.0001003900000000 ] - [ -0.0001028200000000, -0.0000508200000000, 0.0006778500000000 ] - [ -0.0000516400000000, -0.0001922500000000, -0.0000161100000000 ] - [ -0.0004393200000000, -0.0002010700000000, -0.0002380400000000 ] - [ 0.0001475200000000, 0.0000170100000000, -0.0003957900000000 ] - [ 0.0002517000000000, 0.0000435800000000, -0.0003663300000000 ] - [ 0.0005693100000000, -0.0009231900000000, -0.0011394200000000 ]- atom: 6 displacement: [ 0.0099998398488412, 0.0000000000000000, -0.0000565950309369 ] forces: - [ -0.0001141600000000, -0.0053594900000000, 0.0007273000000000 ] - [ 0.0022082500000000, 0.0003740300000000, -0.0005660200000000 ] - [ -0.0001007900000000, -0.0001915300000000, -0.0002300300000000 ] - [ 0.0000102600000000, 0.0001988300000000, 0.0001137300000000 ] - [ -0.0000251000000000, 0.0001283500000000, 0.0000555900000000 ] - [ -0.1132190600000000, 0.0103429300000000, 0.0090492400000000 ] - [ -0.0001110600000000, 0.0005563600000000, -0.0001395500000000 ] - [ 0.0001731200000000, -0.0003284200000000, 0.0001677000000000 ] - [ 0.0000966800000000, 0.0000026800000000, 0.0001093400000000 ] - [ -0.0002038000000000, 0.0002851100000000, 0.0001732700000000 ] - [ 0.0000046400000000, 0.0000526200000000, -0.0001612800000000 ] - [ -0.0000118600000000, -0.0001365700000000, -0.0002367100000000 ] - [ 0.0059379800000000, 0.0030744700000000, 0.0034438200000000 ] - [ -0.0000301200000000, -0.0001704300000000, 0.0003057400000000 ] - [ 0.0001794900000000, 0.0000732700000000, -0.0002976900000000 ] - [ -0.0001521800000000, -0.0004012000000000, 0.0004417000000000 ] - [ 0.0000535400000000, 0.0003099700000000, -0.0001375600000000 ] - [ 0.0002339100000000, -0.0003750300000000, -0.0001984400000000 ] - [ 0.0035194500000000, 0.0004370700000000, -0.0010695900000000 ] - [ 0.0005454800000000, 0.0008194500000000, 0.0002134400000000 ] - [ 0.0088776200000000, 0.0072407500000000, 0.0061771500000000 ] - [ -0.0011637500000000, -0.0083949800000000, 0.0034846200000000 ] - [ 0.0000524100000000, -0.0001527200000000, 0.0000218900000000 ] - [ -0.0000329200000000, -0.0000147900000000, 0.0004126600000000 ] - [ -0.0000344700000000, -0.0001147800000000, -0.0001398100000000 ] - [ 0.0001019900000000, -0.0001694100000000, -0.0001801900000000 ] - [ 0.0000066700000000, -0.0000281700000000, 0.0001329300000000 ] - [ 0.0001399900000000, -0.0003064200000000, 0.0000832800000000 ] - [ -0.0005554600000000, -0.0002658900000000, 0.0001058500000000 ] - [ -0.0000226400000000, -0.0004762500000000, 0.0003133700000000 ] - [ -0.0001241600000000, 0.0001360500000000, -0.0000972200000000 ] - [ 0.0000401800000000, -0.0001138300000000, -0.0000375200000000 ] - [ -0.0002180600000000, -0.0004519300000000, -0.0002100000000000 ] - [ 0.0007940200000000, 0.0006390300000000, 0.0000937300000000 ] - [ -0.0002823300000000, 0.0001030700000000, 0.0000471500000000 ] - [ -0.0001462500000000, 0.0001410000000000, -0.0000827800000000 ] - [ 0.0001263600000000, -0.0001571100000000, 0.0001141200000000 ] - [ -0.0000564100000000, 0.0002084200000000, -0.0000359700000000 ] - [ 0.0002090800000000, -0.0000364300000000, 0.0009907600000000 ] - [ -0.0010711600000000, 0.0000008800000000, -0.0003903100000000 ] - [ 0.0002096500000000, -0.0002086200000000, 0.0001970600000000 ] - [ 0.0736543300000000, -0.0006719900000000, -0.0136670400000000 ] - [ 0.0000719800000000, 0.0000712500000000, 0.0000954900000000 ] - [ 0.0000990800000000, -0.0001089100000000, -0.0001012900000000 ] - [ 0.0001545700000000, -0.0004537400000000, 0.0000029600000000 ] - [ -0.0004638200000000, -0.0003821500000000, 0.0002859400000000 ] - [ -0.0012362900000000, -0.0016365300000000, 0.0007207700000000 ] - [ 0.0001373400000000, -0.0001463200000000, 0.0001107600000000 ] - [ -0.0001772000000000, -0.0006081300000000, -0.0000483300000000 ] - [ -0.0005360200000000, 0.0004445000000000, -0.0000872500000000 ] - [ -0.0008204800000000, 0.0021780800000000, -0.0003510700000000 ] - [ 0.0000965300000000, -0.0001405500000000, -0.0001536300000000 ] - [ -0.0003351500000000, 0.0019987900000000, -0.0022190400000000 ] - [ -0.0002030700000000, 0.0003903900000000, -0.0002940400000000 ] - [ 0.0000308700000000, -0.0000151800000000, -0.0000839700000000 ] - [ 0.0003019200000000, -0.0015677800000000, 0.0027112700000000 ] - [ 0.0005475100000000, 0.0002278200000000, -0.0001816600000000 ] - [ -0.0000537800000000, -0.0000195400000000, -0.0001447900000000 ] - [ 0.0006335300000000, -0.0002869900000000, 0.0003117200000000 ] - [ -0.0002831200000000, -0.0002254500000000, 0.0001335700000000 ] - [ -0.0001359800000000, -0.0004285400000000, 0.0000741000000000 ] - [ -0.0002268300000000, 0.0002509800000000, 0.0001576800000000 ] - [ -0.0000537400000000, 0.0002310400000000, -0.0002065400000000 ] - [ 0.0000506400000000, -0.0001924400000000, 0.0000287300000000 ] - [ 0.0004887000000000, -0.0001980200000000, -0.0006036600000000 ] - [ -0.0000688700000000, 0.0000296400000000, -0.0001216200000000 ] - [ 0.0010749500000000, 0.0007123700000000, 0.0002299700000000 ] - [ -0.0003030400000000, 0.0001311400000000, -0.0011687300000000 ] - [ 0.0126574700000000, -0.0041842700000000, -0.0015972400000000 ] - [ 0.0000157900000000, -0.0000459200000000, 0.0001031200000000 ] - [ 0.0079487100000000, -0.0015706200000000, -0.0056727300000000 ] - [ -0.0000721700000000, -0.0000541900000000, 0.0000665100000000 ] - [ 0.0002051500000000, -0.0003980300000000, -0.0000992900000000 ] - [ 0.0000735900000000, -0.0000502000000000, 0.0000187500000000 ] - [ -0.0000486800000000, 0.0000023200000000, -0.0002418600000000 ] - [ -0.0000563500000000, 0.0000395800000000, -0.0000700600000000 ] - [ -0.0000470300000000, -0.0003027000000000, -0.0000320500000000 ] - [ -0.0004412200000000, 0.0000740500000000, 0.0001476100000000 ] - [ -0.0000414600000000, -0.0001652700000000, -0.0001315000000000 ] - [ 0.0010756100000000, 0.0001546400000000, -0.0007232100000000 ] - [ 0.0001107500000000, -0.0001269000000000, -0.0001089700000000 ] - [ 0.0003959600000000, -0.0006154700000000, 0.0000306700000000 ] - [ 0.0001882000000000, 0.0001380700000000, 0.0003933600000000 ] - [ -0.0002539000000000, 0.0002508100000000, -0.0002781700000000 ]- atom: 6 displacement: [ -0.0099998398488412, 0.0000000000000000, 0.0000565950309369 ] forces: - [ 0.0005331600000000, 0.0056685100000000, -0.0003648200000000 ] - [ -0.0018885300000000, -0.0001300300000000, 0.0008100500000000 ] - [ -0.0001126000000000, -0.0002091100000000, -0.0002602900000000 ] - [ 0.0000619800000000, 0.0001145700000000, 0.0001502100000000 ] - [ -0.0000085100000000, -0.0001046900000000, 0.0000435200000000 ] - [ 0.1094556600000000, -0.0090680100000000, -0.0077379300000000 ] - [ -0.0000739200000000, -0.0002738200000000, 0.0004300900000000 ] - [ 0.0001777900000000, -0.0003385900000000, 0.0001737500000000 ] - [ -0.0003290500000000, 0.0002612100000000, 0.0001123400000000 ] - [ -0.0002737700000000, 0.0005142700000000, 0.0001547800000000 ] - [ -0.0000057300000000, 0.0000348100000000, -0.0000605500000000 ] - [ -0.0001123400000000, -0.0001819400000000, 0.0001695600000000 ] - [ -0.0060060200000000, -0.0028976000000000, -0.0037574500000000 ] - [ 0.0002410200000000, -0.0002292200000000, 0.0001832200000000 ] - [ 0.0000816100000000, 0.0005304200000000, 0.0005084200000000 ] - [ 0.0000068300000000, 0.0002225100000000, -0.0005872000000000 ] - [ 0.0000599100000000, 0.0002499600000000, 0.0001916300000000 ] - [ 0.0002403900000000, -0.0004289700000000, -0.0001320400000000 ] - [ -0.0034977100000000, -0.0003863400000000, 0.0009596800000000 ] - [ -0.0005779800000000, -0.0008639100000000, -0.0001210600000000 ] - [ -0.0085339800000000, -0.0068877200000000, -0.0060545500000000 ] - [ 0.0012201100000000, 0.0086494800000000, -0.0035440600000000 ] - [ 0.0000712300000000, -0.0001661400000000, 0.0000436600000000 ] - [ 0.0001498600000000, 0.0000135000000000, 0.0000628000000000 ] - [ -0.0000354800000000, -0.0001236700000000, -0.0001785800000000 ] - [ 0.0001285200000000, -0.0001481900000000, -0.0001626200000000 ] - [ 0.0000639800000000, -0.0002082100000000, 0.0001826100000000 ] - [ 0.0001186600000000, -0.0003048700000000, 0.0001242700000000 ] - [ 0.0001634700000000, -0.0001127300000000, -0.0005009100000000 ] - [ -0.0002128300000000, 0.0002048700000000, -0.0000849000000000 ] - [ -0.0001738700000000, 0.0001228600000000, -0.0001405400000000 ] - [ 0.0000227400000000, -0.0001036200000000, -0.0000359600000000 ] - [ -0.0000405700000000, -0.0001614700000000, 0.0000019100000000 ] - [ -0.0005752900000000, -0.0003327300000000, -0.0004371600000000 ] - [ 0.0001592200000000, 0.0002177100000000, -0.0001126400000000 ] - [ -0.0001994200000000, 0.0002011500000000, -0.0001162300000000 ] - [ 0.0002198800000000, -0.0001855700000000, 0.0000850800000000 ] - [ -0.0000070700000000, 0.0000080300000000, 0.0001111600000000 ] - [ -0.0002711400000000, -0.0001830300000000, -0.0009150700000000 ] - [ 0.0012812900000000, 0.0002458000000000, 0.0001935900000000 ] - [ 0.0001806300000000, -0.0001711800000000, 0.0002016500000000 ] - [ -0.0703393100000000, 0.0006726200000000, 0.0123455700000000 ] - [ 0.0000802700000000, 0.0000968800000000, 0.0000613600000000 ] - [ 0.0001117100000000, -0.0001301800000000, -0.0001022400000000 ] - [ -0.0000792600000000, 0.0001379600000000, 0.0002596500000000 ] - [ 0.0001161800000000, 0.0000336700000000, -0.0004776100000000 ] - [ 0.0012445600000000, 0.0017332800000000, -0.0005013600000000 ] - [ 0.0001613900000000, -0.0001118500000000, 0.0001257600000000 ] - [ -0.0001685300000000, -0.0000584700000000, -0.0002880100000000 ] - [ 0.0002270500000000, -0.0007092900000000, -0.0001455800000000 ] - [ 0.0009366200000000, -0.0019121300000000, 0.0000240000000000 ] - [ 0.0000878700000000, -0.0001414800000000, -0.0001310500000000 ] - [ 0.0001256100000000, -0.0015353900000000, 0.0017284400000000 ] - [ -0.0001480300000000, 0.0002746200000000, -0.0000468100000000 ] - [ 0.0000028300000000, -0.0000092500000000, -0.0000169800000000 ] - [ -0.0001673100000000, 0.0014426600000000, -0.0025382300000000 ] - [ -0.0006695200000000, -0.0002252600000000, -0.0002988200000000 ] - [ -0.0001294200000000, -0.0002587600000000, 0.0004285700000000 ] - [ -0.0002904500000000, 0.0006240800000000, -0.0001085600000000 ] - [ 0.0000504400000000, -0.0000942200000000, 0.0002114300000000 ] - [ -0.0003380800000000, -0.0003763800000000, 0.0002590200000000 ] - [ -0.0000027900000000, 0.0000679600000000, 0.0001845000000000 ] - [ -0.0002051500000000, 0.0003805300000000, -0.0000013000000000 ] - [ 0.0000515600000000, -0.0001988900000000, 0.0000467700000000 ] - [ -0.0004744500000000, 0.0001148100000000, 0.0003810900000000 ] - [ -0.0000838400000000, 0.0001398600000000, -0.0000383500000000 ] - [ -0.0007246200000000, -0.0000401800000000, 0.0001111000000000 ] - [ 0.0005238800000000, 0.0001337000000000, 0.0009052800000000 ] - [ -0.0124378200000000, 0.0042769100000000, 0.0016824100000000 ] - [ -0.0000139500000000, -0.0000417800000000, 0.0001187100000000 ] - [ -0.0074910800000000, 0.0022613200000000, 0.0050536900000000 ] - [ -0.0001379800000000, 0.0002927000000000, 0.0001364200000000 ] - [ -0.0000898200000000, -0.0001576900000000, 0.0001527000000000 ] - [ 0.0000450500000000, 0.0000479700000000, 0.0004547100000000 ] - [ -0.0000719200000000, 0.0000011200000000, -0.0002342400000000 ] - [ -0.0000453800000000, 0.0003544600000000, -0.0000062100000000 ] - [ -0.0000657700000000, -0.0002561000000000, -0.0000252600000000 ] - [ 0.0002339100000000, -0.0003086900000000, 0.0000498800000000 ] - [ -0.0000320500000000, -0.0001482300000000, -0.0001337100000000 ] - [ -0.0011858100000000, -0.0005380700000000, 0.0006469300000000 ] - [ 0.0001271700000000, -0.0001367800000000, -0.0001144800000000 ] - [ -0.0003264500000000, 0.0008515500000000, 0.0002773000000000 ] - [ 0.0000270000000000, 0.0002629800000000, 0.0000948100000000 ] - [ -0.0001364600000000, 0.0001291000000000, -0.0001207000000000 ]- atom: 6 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0085501700000000, -0.0003439300000000, 0.0037961800000000 ] - [ 0.0004072900000000, 0.0040899600000000, -0.0007875500000000 ] - [ -0.0001318800000000, -0.0001882200000000, -0.0002626300000000 ] - [ -0.0000030900000000, 0.0001601900000000, 0.0001752600000000 ] - [ -0.0000330300000000, -0.0000038200000000, 0.0002652600000000 ] - [ 0.0099847000000000, -0.1257941100000000, 0.0052760900000000 ] - [ -0.0000238000000000, -0.0000657700000000, 0.0003255200000000 ] - [ 0.0001683000000000, -0.0003277500000000, 0.0001660800000000 ] - [ -0.0009785600000000, -0.0000211300000000, 0.0002449100000000 ] - [ 0.0000564300000000, 0.0010599400000000, 0.0005432800000000 ] - [ -0.0001565100000000, 0.0001072300000000, -0.0001683000000000 ] - [ -0.0000089600000000, -0.0000842800000000, -0.0002998500000000 ] - [ 0.0009452600000000, 0.0046002900000000, 0.0020238200000000 ] - [ 0.0002107800000000, -0.0001889500000000, 0.0002337500000000 ] - [ 0.0000371700000000, 0.0001938000000000, -0.0004379000000000 ] - [ -0.0006696300000000, 0.0021326200000000, -0.0022577500000000 ] - [ 0.0000233000000000, 0.0003179500000000, 0.0000192400000000 ] - [ 0.0002543200000000, -0.0003779800000000, -0.0002069200000000 ] - [ 0.0004054900000000, 0.0013874300000000, -0.0005393400000000 ] - [ 0.0008462400000000, 0.0003873900000000, 0.0002247200000000 ] - [ 0.0020497800000000, -0.0001856700000000, -0.0004856600000000 ] - [ -0.0054274300000000, 0.0008131900000000, -0.0002610000000000 ] - [ 0.0000365200000000, -0.0001530000000000, 0.0000287700000000 ] - [ 0.0002960700000000, -0.0002147400000000, -0.0000407800000000 ] - [ -0.0000535000000000, -0.0001001400000000, -0.0001902500000000 ] - [ 0.0001231700000000, -0.0001611200000000, -0.0001688200000000 ] - [ 0.0000390700000000, -0.0002066000000000, 0.0002425600000000 ] - [ 0.0001231300000000, -0.0002787600000000, 0.0000981000000000 ] - [ -0.0004233700000000, -0.0000569800000000, -0.0003499800000000 ] - [ -0.0000599100000000, -0.0001015000000000, 0.0000188000000000 ] - [ -0.0001632500000000, 0.0001576000000000, -0.0001656100000000 ] - [ 0.0000278700000000, -0.0001217800000000, -0.0000240600000000 ] - [ -0.0004873200000000, -0.0003041500000000, -0.0001146500000000 ] - [ -0.0000562400000000, 0.0002577300000000, 0.0002376400000000 ] - [ 0.0001391800000000, 0.0001221700000000, 0.0000583200000000 ] - [ -0.0002398500000000, 0.0002013100000000, -0.0001220000000000 ] - [ 0.0001661100000000, -0.0001890300000000, 0.0000798200000000 ] - [ -0.0001350900000000, 0.0002423700000000, 0.0000393100000000 ] - [ -0.0002251800000000, 0.0001416300000000, -0.0002892800000000 ] - [ -0.0002275400000000, -0.0009803000000000, -0.0001576500000000 ] - [ 0.0002066400000000, -0.0002142700000000, 0.0002122200000000 ] - [ -0.0054706100000000, 0.0128336800000000, -0.0015267100000000 ] - [ 0.0000618400000000, 0.0000731300000000, 0.0000547000000000 ] - [ 0.0001175800000000, -0.0001321100000000, -0.0001183700000000 ] - [ -0.0000710800000000, 0.0000115800000000, -0.0000450600000000 ] - [ 0.0000005200000000, -0.0004972500000000, 0.0000255600000000 ] - [ -0.0015137400000000, -0.0017050400000000, 0.0007506400000000 ] - [ 0.0001514700000000, -0.0001395200000000, 0.0001232100000000 ] - [ -0.0002264900000000, -0.0004301200000000, -0.0002182300000000 ] - [ 0.0003797800000000, 0.0014116400000000, -0.0010619800000000 ] - [ 0.0070076700000000, 0.0084934000000000, 0.0049471300000000 ] - [ 0.0000902900000000, -0.0001438600000000, -0.0001375800000000 ] - [ -0.0000957200000000, 0.0012035900000000, 0.0000355600000000 ] - [ -0.0001988400000000, 0.0001941400000000, -0.0002102800000000 ] - [ 0.0000412600000000, 0.0000255200000000, -0.0000132600000000 ] - [ 0.0000672300000000, -0.0031040500000000, -0.0061999000000000 ] - [ 0.0005685800000000, 0.0016900000000000, -0.0004205800000000 ] - [ -0.0001071800000000, -0.0002580500000000, 0.0000602900000000 ] - [ 0.0000628300000000, 0.0002131200000000, -0.0000824400000000 ] - [ -0.0000273800000000, -0.0001284900000000, -0.0000563500000000 ] - [ -0.0005328600000000, -0.0002945500000000, 0.0003478600000000 ] - [ -0.0000396000000000, 0.0000794400000000, 0.0001641200000000 ] - [ -0.0000962800000000, 0.0003035700000000, -0.0000816000000000 ] - [ 0.0000474600000000, -0.0002018400000000, 0.0000445800000000 ] - [ 0.0001460300000000, 0.0001555800000000, 0.0005418900000000 ] - [ -0.0001405200000000, 0.0001110800000000, -0.0001350800000000 ] - [ 0.0017886800000000, -0.0000016800000000, -0.0011366300000000 ] - [ 0.0000500200000000, -0.0003217600000000, -0.0003551500000000 ] - [ -0.0003340300000000, 0.0817939500000000, -0.0165356900000000 ] - [ 0.0000117000000000, -0.0000350400000000, 0.0001309500000000 ] - [ -0.0004446100000000, 0.0137837200000000, 0.0134867000000000 ] - [ -0.0001796800000000, 0.0001013000000000, 0.0000049800000000 ] - [ -0.0000662400000000, -0.0006163300000000, 0.0002456100000000 ] - [ 0.0001007800000000, -0.0000705300000000, -0.0000523300000000 ] - [ -0.0000560100000000, 0.0000229300000000, -0.0002194500000000 ] - [ -0.0000186700000000, 0.0002792100000000, 0.0000754000000000 ] - [ -0.0000299700000000, -0.0003092600000000, 0.0000165300000000 ] - [ -0.0002085100000000, -0.0004265000000000, 0.0004615300000000 ] - [ -0.0000325900000000, -0.0001778500000000, -0.0001251200000000 ] - [ 0.0003905600000000, -0.0003166000000000, -0.0000820100000000 ] - [ 0.0001131500000000, -0.0001365100000000, -0.0001257700000000 ] - [ 0.0000230600000000, 0.0005497500000000, 0.0004347600000000 ] - [ 0.0001817300000000, 0.0002208700000000, 0.0001789100000000 ] - [ -0.0000041700000000, 0.0001868900000000, -0.0001710200000000 ]- atom: 6 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0089767200000000, 0.0007048400000000, -0.0033634700000000 ] - [ -0.0000748500000000, -0.0038413700000000, 0.0010044000000000 ] - [ -0.0000979500000000, -0.0001992600000000, -0.0002328500000000 ] - [ 0.0000731500000000, 0.0001576800000000, 0.0000818600000000 ] - [ -0.0000015300000000, 0.0000282200000000, -0.0001652400000000 ] - [ -0.0094816600000000, 0.1224267200000000, -0.0040238100000000 ] - [ -0.0001511000000000, 0.0003502700000000, -0.0000266300000000 ] - [ 0.0001661300000000, -0.0003342000000000, 0.0001621000000000 ] - [ 0.0007489800000000, 0.0003082500000000, -0.0000058800000000 ] - [ -0.0005496700000000, -0.0002614300000000, -0.0002007000000000 ] - [ 0.0001484300000000, -0.0000242300000000, -0.0000700000000000 ] - [ -0.0000932000000000, -0.0002149200000000, 0.0002296800000000 ] - [ -0.0010773000000000, -0.0043726300000000, -0.0023422000000000 ] - [ 0.0000220600000000, -0.0001983000000000, 0.0002594800000000 ] - [ 0.0002149500000000, 0.0004061800000000, 0.0006398400000000 ] - [ 0.0005433600000000, -0.0023301000000000, 0.0021522200000000 ] - [ 0.0000854000000000, 0.0002459200000000, 0.0000182200000000 ] - [ 0.0002363300000000, -0.0004246000000000, -0.0001396600000000 ] - [ -0.0003863800000000, -0.0013315700000000, 0.0004327600000000 ] - [ -0.0008925200000000, -0.0004086100000000, -0.0001310300000000 ] - [ -0.0019446400000000, 0.0004259900000000, 0.0005220200000000 ] - [ 0.0054243800000000, -0.0005431100000000, 0.0001451300000000 ] - [ 0.0000670800000000, -0.0001460800000000, 0.0000399700000000 ] - [ -0.0001695400000000, 0.0002060100000000, 0.0005094000000000 ] - [ -0.0000277700000000, -0.0001248700000000, -0.0001377600000000 ] - [ 0.0001136000000000, -0.0001497100000000, -0.0001856900000000 ] - [ 0.0000422600000000, -0.0000200500000000, 0.0000842300000000 ] - [ 0.0001287600000000, -0.0003135300000000, 0.0000959300000000 ] - [ 0.0000402100000000, -0.0003156200000000, -0.0000668800000000 ] - [ -0.0001769800000000, -0.0001810500000000, 0.0002235300000000 ] - [ -0.0001510300000000, 0.0001090600000000, -0.0000556200000000 ] - [ 0.0000360900000000, -0.0001057300000000, -0.0000347000000000 ] - [ 0.0002374300000000, -0.0002817000000000, -0.0000721700000000 ] - [ 0.0002874200000000, 0.0000509100000000, -0.0005912000000000 ] - [ -0.0002407800000000, 0.0001787900000000, -0.0001282100000000 ] - [ -0.0001179600000000, 0.0001547000000000, -0.0000576900000000 ] - [ 0.0001920600000000, -0.0001667400000000, 0.0001002000000000 ] - [ 0.0000723300000000, -0.0000149300000000, 0.0000212400000000 ] - [ 0.0001672800000000, -0.0003518100000000, 0.0003487100000000 ] - [ 0.0004617100000000, 0.0012098400000000, -0.0000726400000000 ] - [ 0.0001790700000000, -0.0001593900000000, 0.0002016700000000 ] - [ 0.0051248500000000, -0.0123903900000000, 0.0012646500000000 ] - [ 0.0000750800000000, 0.0001136200000000, 0.0000870600000000 ] - [ 0.0001064100000000, -0.0001115700000000, -0.0001005600000000 ] - [ 0.0001407700000000, -0.0003260300000000, 0.0003018300000000 ] - [ -0.0003567900000000, 0.0001469300000000, -0.0002147900000000 ] - [ 0.0015368000000000, 0.0017875300000000, -0.0005150900000000 ] - [ 0.0001626500000000, -0.0001253600000000, 0.0000985800000000 ] - [ -0.0001105700000000, -0.0002312400000000, -0.0001116400000000 ] - [ -0.0006873900000000, -0.0016859400000000, 0.0008404000000000 ] - [ -0.0068007100000000, -0.0079908200000000, -0.0051902900000000 ] - [ 0.0000841500000000, -0.0001411200000000, -0.0001577000000000 ] - [ -0.0001278100000000, -0.0008086200000000, -0.0005300800000000 ] - [ -0.0001371000000000, 0.0004695000000000, -0.0001182600000000 ] - [ -0.0000050100000000, -0.0000515000000000, -0.0000878300000000 ] - [ 0.0000859300000000, 0.0029333400000000, 0.0063336800000000 ] - [ -0.0007196900000000, -0.0017357000000000, -0.0000353400000000 ] - [ -0.0000698300000000, -0.0000291000000000, 0.0002365500000000 ] - [ 0.0002951000000000, 0.0001486700000000, 0.0002484900000000 ] - [ -0.0002058000000000, -0.0001836000000000, 0.0004099200000000 ] - [ 0.0000355100000000, -0.0005063000000000, 0.0000041000000000 ] - [ -0.0001967400000000, 0.0002329700000000, 0.0001904300000000 ] - [ -0.0001579100000000, 0.0002902200000000, -0.0001123300000000 ] - [ 0.0000557300000000, -0.0002010800000000, 0.0000277200000000 ] - [ -0.0001598300000000, -0.0002339200000000, -0.0007721600000000 ] - [ 0.0000040000000000, 0.0000740600000000, -0.0000093400000000 ] - [ -0.0013925300000000, 0.0006639400000000, 0.0014829500000000 ] - [ 0.0001817900000000, 0.0005999300000000, 0.0001187400000000 ] - [ 0.0001406400000000, -0.0776981600000000, 0.0154366500000000 ] - [ -0.0000037500000000, -0.0000476900000000, 0.0001087200000000 ] - [ 0.0008727800000000, -0.0130774700000000, -0.0139678400000000 ] - [ -0.0000444300000000, 0.0001440800000000, 0.0002139800000000 ] - [ 0.0001738100000000, 0.0000501100000000, -0.0002060700000000 ] - [ 0.0000231800000000, 0.0000824700000000, 0.0005217400000000 ] - [ -0.0000731400000000, -0.0000115400000000, -0.0002514000000000 ] - [ -0.0000857200000000, 0.0001261100000000, -0.0001497800000000 ] - [ -0.0000790100000000, -0.0002551700000000, -0.0000547600000000 ] - [ -0.0000214700000000, 0.0001794800000000, -0.0002354200000000 ] - [ -0.0000376100000000, -0.0001394700000000, -0.0001321700000000 ] - [ -0.0005001400000000, -0.0000948300000000, 0.0000128300000000 ] - [ 0.0001218500000000, -0.0001467300000000, -0.0001136600000000 ] - [ 0.0000553700000000, -0.0003229300000000, -0.0001130700000000 ] - [ 0.0000485400000000, 0.0001679000000000, 0.0003157300000000 ] - [ -0.0003822800000000, 0.0001875800000000, -0.0002437100000000 ]- atom: 6 displacement: [ -0.0027030911372206, 0.0000000000000000, 0.0096277358866911 ] forces: - [ 0.0036184600000000, 0.0022182700000000, -0.0012059200000000 ] - [ -0.0015701300000000, -0.0011379800000000, 0.0007174000000000 ] - [ -0.0001221400000000, -0.0001899700000000, -0.0002621100000000 ] - [ 0.0000833000000000, 0.0001927700000000, 0.0001611400000000 ] - [ -0.0000392600000000, -0.0000029200000000, 0.0002539200000000 ] - [ 0.0367716800000000, 0.0017607100000000, -0.1243613900000000 ] - [ 0.0000124000000000, -0.0000776800000000, -0.0002875000000000 ] - [ 0.0001743800000000, -0.0003152400000000, 0.0001850000000000 ] - [ -0.0004557000000000, 0.0001072700000000, 0.0000569300000000 ] - [ 0.0001750500000000, 0.0005339200000000, 0.0002127900000000 ] - [ -0.0001493600000000, 0.0000490700000000, -0.0001418700000000 ] - [ -0.0001547400000000, -0.0002608600000000, -0.0001110900000000 ] - [ 0.0061499000000000, 0.0097676600000000, 0.0053121500000000 ] - [ 0.0002956500000000, -0.0001612500000000, 0.0001694700000000 ] - [ 0.0002134400000000, 0.0004526100000000, -0.0003392800000000 ] - [ 0.0001611700000000, 0.0004398600000000, -0.0003249200000000 ] - [ -0.0001043400000000, 0.0002670200000000, 0.0002939600000000 ] - [ 0.0002618800000000, -0.0003867800000000, -0.0002048700000000 ] - [ -0.0017308100000000, -0.0008534000000000, 0.0008402500000000 ] - [ 0.0006819600000000, 0.0004423800000000, 0.0006478900000000 ] - [ -0.0030354400000000, -0.0045639800000000, -0.0020207300000000 ] - [ 0.0004538000000000, 0.0051704100000000, -0.0006749900000000 ] - [ 0.0000417300000000, -0.0001501100000000, 0.0000417400000000 ] - [ 0.0002812500000000, -0.0001007600000000, 0.0002494300000000 ] - [ -0.0000443300000000, -0.0001154500000000, -0.0001796700000000 ] - [ 0.0001347500000000, -0.0001636300000000, -0.0001744300000000 ] - [ 0.0000949600000000, -0.0000175300000000, 0.0001399900000000 ] - [ 0.0001170500000000, -0.0002967900000000, 0.0000743300000000 ] - [ 0.0002445400000000, -0.0003003400000000, -0.0005115300000000 ] - [ -0.0002235400000000, -0.0000325900000000, 0.0000668400000000 ] - [ -0.0001160400000000, 0.0001616900000000, -0.0002407900000000 ] - [ 0.0000352900000000, -0.0001030000000000, -0.0000114800000000 ] - [ -0.0003605900000000, -0.0002700900000000, 0.0001770300000000 ] - [ -0.0004959300000000, 0.0000895000000000, 0.0002462600000000 ] - [ -0.0000097100000000, 0.0001130500000000, 0.0000406000000000 ] - [ -0.0002137500000000, 0.0002533300000000, -0.0000864800000000 ] - [ 0.0001922300000000, -0.0001901000000000, 0.0000649100000000 ] - [ 0.0000055800000000, 0.0002197100000000, 0.0000448500000000 ] - [ 0.0003481600000000, -0.0001872000000000, 0.0011593000000000 ] - [ 0.0007085600000000, 0.0011901900000000, -0.0005368700000000 ] - [ 0.0001739900000000, -0.0001670400000000, 0.0002168200000000 ] - [ -0.0429675400000000, 0.0012898000000000, 0.0191840700000000 ] - [ -0.0000037900000000, 0.0000196700000000, 0.0001133800000000 ] - [ 0.0001227900000000, -0.0001246200000000, -0.0001015200000000 ] - [ 0.0005807000000000, 0.0004842100000000, -0.0001807200000000 ] - [ 0.0002285900000000, -0.0005299100000000, 0.0000549700000000 ] - [ 0.0007160200000000, 0.0011614300000000, -0.0000923600000000 ] - [ 0.0001646500000000, -0.0001369100000000, 0.0001056800000000 ] - [ -0.0001886500000000, -0.0004547400000000, -0.0000312600000000 ] - [ 0.0001647200000000, -0.0009425100000000, -0.0007917300000000 ] - [ -0.0008085100000000, 0.0011322000000000, 0.0008997700000000 ] - [ 0.0000718900000000, -0.0001393400000000, -0.0001359900000000 ] - [ 0.0003734600000000, -0.0008497300000000, 0.0021680700000000 ] - [ -0.0001666700000000, 0.0003487100000000, -0.0003424600000000 ] - [ 0.0000162600000000, -0.0000297000000000, -0.0000245500000000 ] - [ -0.0003985100000000, -0.0054421500000000, 0.0025211400000000 ] - [ 0.0003452400000000, -0.0010987200000000, -0.0002737200000000 ] - [ -0.0001309300000000, -0.0001636600000000, -0.0000583800000000 ] - [ -0.0001517400000000, 0.0005172600000000, -0.0000975500000000 ] - [ -0.0000700700000000, -0.0001234300000000, -0.0001989800000000 ] - [ -0.0003187000000000, -0.0004468000000000, 0.0001856700000000 ] - [ -0.0001447400000000, 0.0001147300000000, 0.0000666600000000 ] - [ -0.0002919400000000, 0.0002807100000000, -0.0000429100000000 ] - [ 0.0000365600000000, -0.0001920600000000, 0.0000307100000000 ] - [ -0.0003025100000000, 0.0006423200000000, 0.0018133300000000 ] - [ -0.0000912200000000, 0.0001496700000000, -0.0001595800000000 ] - [ -0.0000821000000000, 0.0003859700000000, 0.0013706000000000 ] - [ 0.0003312400000000, 0.0020179100000000, 0.0004426600000000 ] - [ -0.0037259900000000, -0.0301904900000000, 0.0185756000000000 ] - [ 0.0000045400000000, -0.0000178200000000, 0.0001064500000000 ] - [ 0.0056190800000000, 0.0189149300000000, 0.0751840000000000 ] - [ -0.0002339600000000, -0.0000018000000000, 0.0000169200000000 ] - [ -0.0001086600000000, -0.0000297500000000, -0.0000099500000000 ] - [ -0.0000685000000000, -0.0001457200000000, -0.0001372200000000 ] - [ -0.0000597900000000, 0.0000209500000000, -0.0002383600000000 ] - [ -0.0000220200000000, 0.0000200400000000, -0.0000649100000000 ] - [ -0.0000552200000000, -0.0003043800000000, -0.0000039700000000 ] - [ -0.0003817900000000, 0.0000750300000000, 0.0003105200000000 ] - [ -0.0000402400000000, -0.0001763300000000, -0.0001060800000000 ] - [ -0.0006993800000000, -0.0002524100000000, -0.0004010200000000 ] - [ 0.0001363400000000, -0.0001517800000000, -0.0000870800000000 ] - [ -0.0001212000000000, 0.0004591500000000, 0.0004624200000000 ] - [ 0.0001459900000000, 0.0003212900000000, 0.0003972400000000 ] - [ -0.0000290200000000, 0.0002040400000000, -0.0001266500000000 ]- atom: 6 displacement: [ 0.0027030911372206, 0.0000000000000000, -0.0096277358866911 ] forces: - [ -0.0032196000000000, -0.0018290100000000, 0.0015630000000000 ] - [ 0.0018583600000000, 0.0013821400000000, -0.0004730100000000 ] - [ -0.0000967500000000, -0.0001994200000000, -0.0002333700000000 ] - [ -0.0000126800000000, 0.0001150000000000, 0.0000987400000000 ] - [ 0.0000101700000000, 0.0000242900000000, -0.0001603500000000 ] - [ -0.0381673800000000, -0.0018794600000000, 0.1204499400000000 ] - [ -0.0001857500000000, 0.0003563300000000, 0.0005833600000000 ] - [ 0.0001672800000000, -0.0003514600000000, 0.0001421500000000 ] - [ 0.0002315200000000, 0.0001645300000000, 0.0001772700000000 ] - [ -0.0006597900000000, 0.0002597700000000, 0.0001231500000000 ] - [ 0.0001357500000000, 0.0000435800000000, -0.0000872400000000 ] - [ 0.0000424700000000, -0.0000466500000000, 0.0000452600000000 ] - [ -0.0062124500000000, -0.0094716800000000, -0.0055359300000000 ] - [ -0.0000792900000000, -0.0002274400000000, 0.0003246400000000 ] - [ 0.0000522300000000, 0.0001520300000000, 0.0005336700000000 ] - [ -0.0002978800000000, -0.0006375200000000, 0.0002049900000000 ] - [ 0.0002185400000000, 0.0002999700000000, -0.0002534800000000 ] - [ 0.0002212600000000, -0.0004122100000000, -0.0001350800000000 ] - [ 0.0017550100000000, 0.0008653200000000, -0.0009291700000000 ] - [ -0.0007171900000000, -0.0004663000000000, -0.0005580600000000 ] - [ 0.0030808500000000, 0.0048368300000000, 0.0020475000000000 ] - [ -0.0003849300000000, -0.0049378400000000, 0.0005754100000000 ] - [ 0.0000726900000000, -0.0001595400000000, 0.0000257500000000 ] - [ -0.0001579500000000, 0.0000905400000000, 0.0002142300000000 ] - [ -0.0000347000000000, -0.0001196600000000, -0.0001450000000000 ] - [ 0.0000971000000000, -0.0001475200000000, -0.0001732600000000 ] - [ -0.0000160100000000, -0.0002201300000000, 0.0001829300000000 ] - [ 0.0001412500000000, -0.0003045100000000, 0.0001221600000000 ] - [ -0.0006442400000000, -0.0000752400000000, 0.0001091800000000 ] - [ -0.0000081600000000, -0.0002431600000000, 0.0001684800000000 ] - [ -0.0001895500000000, 0.0000962900000000, 0.0000056700000000 ] - [ 0.0000346000000000, -0.0001287200000000, -0.0000563100000000 ] - [ 0.0001031400000000, -0.0003292300000000, -0.0003765000000000 ] - [ 0.0007232700000000, 0.0002267800000000, -0.0006006800000000 ] - [ -0.0000999400000000, 0.0001991500000000, -0.0001064500000000 ] - [ -0.0001412300000000, 0.0000946100000000, -0.0000978000000000 ] - [ 0.0001633900000000, -0.0001595600000000, 0.0001198600000000 ] - [ -0.0000775600000000, 0.0000120200000000, 0.0000243200000000 ] - [ -0.0004253700000000, -0.0000460300000000, -0.0011164400000000 ] - [ -0.0004829900000000, -0.0009610800000000, 0.0003177400000000 ] - [ 0.0002226700000000, -0.0002133400000000, 0.0001913300000000 ] - [ 0.0439777800000000, -0.0010361800000000, -0.0194459800000000 ] - [ 0.0001513500000000, 0.0001614200000000, 0.0000431200000000 ] - [ 0.0000971800000000, -0.0001208800000000, -0.0001160600000000 ] - [ -0.0005159300000000, -0.0008073400000000, 0.0004432100000000 ] - [ -0.0005870600000000, 0.0001807500000000, -0.0002501300000000 ] - [ -0.0006980300000000, -0.0010693900000000, 0.0003134500000000 ] - [ 0.0001406800000000, -0.0001196400000000, 0.0001284000000000 ] - [ -0.0001471800000000, -0.0002108700000000, -0.0002952200000000 ] - [ -0.0004721700000000, 0.0006637900000000, 0.0005687500000000 ] - [ 0.0009732200000000, -0.0008849400000000, -0.0012143200000000 ] - [ 0.0001041400000000, -0.0001448000000000, -0.0001515200000000 ] - [ -0.0005859200000000, 0.0012507600000000, -0.0026627400000000 ] - [ -0.0001752300000000, 0.0003147300000000, 0.0000132100000000 ] - [ 0.0000137800000000, 0.0000074900000000, -0.0000692600000000 ] - [ 0.0004925200000000, 0.0052692000000000, -0.0022979900000000 ] - [ -0.0004607000000000, 0.0010857700000000, -0.0002055200000000 ] - [ -0.0000459300000000, -0.0001153100000000, 0.0003537300000000 ] - [ 0.0005073500000000, -0.0001660300000000, 0.0002799900000000 ] - [ -0.0001599800000000, -0.0001904500000000, 0.0005499500000000 ] - [ -0.0001657600000000, -0.0003509800000000, 0.0001545600000000 ] - [ -0.0000841600000000, 0.0001968700000000, 0.0002798500000000 ] - [ 0.0000354300000000, 0.0003201100000000, -0.0001544300000000 ] - [ 0.0000597500000000, -0.0002041500000000, 0.0000468100000000 ] - [ 0.0002844900000000, -0.0007496800000000, -0.0020776000000000 ] - [ -0.0000567300000000, 0.0000281900000000, 0.0000031900000000 ] - [ 0.0004237800000000, 0.0002770800000000, -0.0010532200000000 ] - [ -0.0001517700000000, -0.0017032900000000, -0.0007173500000000 ] - [ 0.0038181200000000, 0.0306678000000000, -0.0182958300000000 ] - [ 0.0000093000000000, -0.0000735800000000, 0.0001216500000000 ] - [ -0.0047718900000000, -0.0174019600000000, -0.0717926600000000 ] - [ 0.0000140500000000, 0.0002473200000000, 0.0001992200000000 ] - [ 0.0002249900000000, -0.0005446600000000, 0.0000614100000000 ] - [ 0.0001962400000000, 0.0001575600000000, 0.0006089100000000 ] - [ -0.0000685200000000, -0.0000082100000000, -0.0002300600000000 ] - [ -0.0000728400000000, 0.0003825000000000, -0.0000112600000000 ] - [ -0.0000540300000000, -0.0002634800000000, -0.0000437000000000 ] - [ 0.0001697300000000, -0.0003239100000000, -0.0000974900000000 ] - [ -0.0000338900000000, -0.0001346700000000, -0.0001546300000000 ] - [ 0.0006029300000000, -0.0001456400000000, 0.0003326400000000 ] - [ 0.0000946100000000, -0.0001236500000000, -0.0001483400000000 ] - [ 0.0001876400000000, -0.0002190500000000, -0.0001450200000000 ] - [ 0.0000751100000000, 0.0000712000000000, 0.0000952700000000 ] - [ -0.0003666500000000, 0.0001777500000000, -0.0002796200000000 ]- atom: 7 displacement: [ 0.0099998398488412, 0.0000000000000000, -0.0000565950309369 ] forces: - [ 0.0002086500000000, 0.0001438400000000, 0.0001443900000000 ] - [ 0.0001681600000000, 0.0001222100000000, 0.0000887800000000 ] - [ -0.0000268300000000, -0.0001979000000000, -0.0000680200000000 ] - [ 0.0000114400000000, 0.0002681700000000, 0.0002434900000000 ] - [ 0.0002857100000000, -0.0008894300000000, 0.0002837700000000 ] - [ -0.0000702800000000, 0.0003435700000000, 0.0000621700000000 ] - [ -0.1099676000000000, -0.0273866300000000, -0.0023266900000000 ] - [ 0.0000409500000000, -0.0002568700000000, 0.0000700600000000 ] - [ 0.0001792000000000, -0.0002141000000000, 0.0000467700000000 ] - [ -0.0032058200000000, 0.0001115200000000, -0.0012766800000000 ] - [ 0.0006041300000000, -0.0001173400000000, -0.0007297300000000 ] - [ -0.0000731300000000, -0.0001604700000000, -0.0000436000000000 ] - [ -0.0001226000000000, 0.0000692300000000, -0.0001199700000000 ] - [ 0.0000994100000000, -0.0001995700000000, 0.0002463500000000 ] - [ 0.0001542200000000, 0.0003196000000000, 0.0001576200000000 ] - [ 0.0000184200000000, -0.0021212800000000, 0.0006149800000000 ] - [ -0.0008337400000000, -0.0065917300000000, -0.0011548500000000 ] - [ 0.0003065000000000, -0.0003767700000000, -0.0002519900000000 ] - [ 0.0000091400000000, 0.0000440500000000, -0.0000615400000000 ] - [ -0.0000346300000000, -0.0000277400000000, 0.0000565100000000 ] - [ 0.0000526100000000, 0.0001261500000000, 0.0000980400000000 ] - [ 0.0000703300000000, 0.0001347800000000, -0.0000188700000000 ] - [ -0.0001293700000000, 0.0000709000000000, 0.0001114400000000 ] - [ 0.0016650200000000, 0.0043045900000000, 0.0007823000000000 ] - [ 0.0000611600000000, -0.0001730100000000, -0.0001959700000000 ] - [ 0.0000234300000000, -0.0000119900000000, 0.0001389300000000 ] - [ 0.0000470300000000, -0.0001323800000000, 0.0001700600000000 ] - [ 0.0002003600000000, -0.0004051200000000, 0.0002298700000000 ] - [ -0.0002134100000000, -0.0001846600000000, -0.0001917700000000 ] - [ -0.0001071000000000, -0.0001319700000000, 0.0001279700000000 ] - [ -0.0001537300000000, 0.0001689300000000, -0.0005488100000000 ] - [ 0.0000322200000000, -0.0000203300000000, -0.0003434300000000 ] - [ -0.0001355300000000, -0.0003089800000000, -0.0001044700000000 ] - [ 0.0001552800000000, 0.0001510700000000, -0.0001894800000000 ] - [ 0.0018850900000000, 0.0035018200000000, 0.0039020500000000 ] - [ 0.0010470300000000, -0.0014881400000000, 0.0001608800000000 ] - [ 0.0002048500000000, -0.0002324800000000, 0.0002570400000000 ] - [ 0.0091141100000000, -0.0001214800000000, 0.0012363000000000 ] - [ -0.0000417900000000, -0.0001204300000000, 0.0000421000000000 ] - [ 0.0001007400000000, 0.0000953100000000, -0.0000079500000000 ] - [ 0.0001179500000000, -0.0002821100000000, 0.0000331700000000 ] - [ -0.0000597200000000, 0.0001205600000000, -0.0001265500000000 ] - [ 0.0000992500000000, 0.0000824300000000, 0.0000742700000000 ] - [ -0.0001046200000000, -0.0002342800000000, -0.0000531300000000 ] - [ 0.0000460200000000, -0.0001653600000000, 0.0001510800000000 ] - [ -0.0001591600000000, -0.0001662700000000, -0.0000981500000000 ] - [ -0.0000199200000000, 0.0000510700000000, 0.0000641400000000 ] - [ 0.0002587200000000, 0.0001526600000000, 0.0000794200000000 ] - [ -0.0001842700000000, -0.0003373900000000, -0.0001661200000000 ] - [ -0.0001503100000000, -0.0001115500000000, -0.0001133400000000 ] - [ 0.0000651000000000, 0.0001630400000000, -0.0002726800000000 ] - [ 0.0000736200000000, -0.0000593200000000, -0.0002384200000000 ] - [ -0.0000305500000000, 0.0001894000000000, -0.0002213500000000 ] - [ 0.0461377900000000, 0.0159883600000000, -0.0277405000000000 ] - [ -0.0004741600000000, -0.0000317200000000, -0.0003644100000000 ] - [ 0.0000005700000000, 0.0003792800000000, 0.0008338900000000 ] - [ -0.0000841000000000, -0.0000419400000000, -0.0002379900000000 ] - [ -0.0000952700000000, -0.0001475000000000, 0.0001426800000000 ] - [ 0.0002537800000000, 0.0001351900000000, 0.0000728500000000 ] - [ -0.0001192200000000, -0.0001534600000000, 0.0001729000000000 ] - [ -0.0002289200000000, -0.0003996000000000, 0.0001570000000000 ] - [ -0.0005498800000000, 0.0012553100000000, 0.0004424000000000 ] - [ 0.0018417200000000, 0.0010595900000000, 0.0002552700000000 ] - [ 0.0001540100000000, -0.0000674000000000, -0.0001002400000000 ] - [ -0.0000083200000000, -0.0000549100000000, -0.0001057800000000 ] - [ -0.0000856500000000, 0.0001083300000000, -0.0000768700000000 ] - [ 0.0002069900000000, 0.0003581400000000, 0.0001935100000000 ] - [ -0.0000365300000000, 0.0003712000000000, -0.0001752400000000 ] - [ 0.0000725100000000, 0.0002426200000000, -0.0000276100000000 ] - [ -0.0000774800000000, -0.0001898900000000, 0.0001418300000000 ] - [ 0.0003228600000000, 0.0004966300000000, -0.0000295700000000 ] - [ 0.0076107900000000, 0.0017471100000000, -0.0013942500000000 ] - [ 0.0000587600000000, -0.0002775600000000, 0.0000228500000000 ] - [ 0.0000617900000000, 0.0000029000000000, 0.0002444100000000 ] - [ -0.0000213300000000, -0.0000894200000000, -0.0003311300000000 ] - [ 0.0236318600000000, -0.0092747700000000, 0.0142064300000000 ] - [ -0.0000158400000000, -0.0002622700000000, -0.0000705800000000 ] - [ -0.0001023800000000, -0.0001073200000000, 0.0000947500000000 ] - [ 0.0000697500000000, -0.0001313400000000, -0.0006823200000000 ] - [ -0.0000501400000000, -0.0001902700000000, -0.0000273900000000 ] - [ 0.0002272300000000, -0.0001366900000000, -0.0002031700000000 ] - [ 0.0180508400000000, 0.0207745200000000, 0.0148628900000000 ] - [ 0.0016777700000000, 0.0014430000000000, -0.0008785000000000 ] - [ -0.0000115500000000, -0.0003139700000000, -0.0001484900000000 ]- atom: 7 displacement: [ -0.0099998398488412, 0.0000000000000000, 0.0000565950309369 ] forces: - [ 0.0001867600000000, 0.0002365000000000, 0.0002493700000000 ] - [ 0.0001298400000000, 0.0001332100000000, 0.0001469700000000 ] - [ -0.0001826500000000, -0.0002001900000000, -0.0004217200000000 ] - [ 0.0000637900000000, 0.0000506400000000, 0.0000328100000000 ] - [ -0.0003094700000000, 0.0009123000000000, -0.0001706400000000 ] - [ -0.0000416500000000, 0.0002181900000000, -0.0001252300000000 ] - [ 0.1080059700000000, 0.0269991200000000, 0.0033403700000000 ] - [ 0.0003123700000000, -0.0004124000000000, 0.0002675900000000 ] - [ -0.0004102800000000, 0.0004822700000000, 0.0001787800000000 ] - [ 0.0027506400000000, 0.0007310800000000, 0.0016231600000000 ] - [ -0.0006121900000000, 0.0002003300000000, 0.0004953300000000 ] - [ -0.0000549700000000, -0.0001618900000000, -0.0000192400000000 ] - [ 0.0000491700000000, 0.0001746200000000, -0.0001944300000000 ] - [ 0.0001087700000000, -0.0001978400000000, 0.0002438300000000 ] - [ 0.0001067100000000, 0.0002943800000000, 0.0000468900000000 ] - [ -0.0001894100000000, 0.0019373300000000, -0.0007720900000000 ] - [ 0.0009384200000000, 0.0071586400000000, 0.0011895200000000 ] - [ 0.0001703900000000, -0.0004194500000000, -0.0000784900000000 ] - [ 0.0000222700000000, -0.0000203300000000, -0.0000405300000000 ] - [ 0.0000030800000000, 0.0000043400000000, 0.0000453800000000 ] - [ 0.0000746000000000, 0.0001951700000000, -0.0000354800000000 ] - [ -0.0000012200000000, 0.0000896300000000, -0.0000590600000000 ] - [ 0.0002576400000000, -0.0003924800000000, -0.0000484200000000 ] - [ -0.0014959100000000, -0.0042314500000000, -0.0003314300000000 ] - [ -0.0001337300000000, -0.0000719600000000, -0.0001188600000000 ] - [ 0.0002043100000000, -0.0003010000000000, -0.0004863800000000 ] - [ 0.0000246300000000, -0.0001111300000000, 0.0001462200000000 ] - [ 0.0000625000000000, -0.0002028600000000, -0.0000239500000000 ] - [ -0.0001832000000000, -0.0001958300000000, -0.0002029700000000 ] - [ -0.0001230300000000, -0.0001310600000000, 0.0000971800000000 ] - [ -0.0001487800000000, 0.0000977700000000, 0.0003126100000000 ] - [ 0.0000363000000000, -0.0002002000000000, 0.0002662000000000 ] - [ -0.0001256400000000, -0.0003046900000000, -0.0000986100000000 ] - [ 0.0000744500000000, 0.0001656800000000, -0.0001546400000000 ] - [ -0.0020073800000000, -0.0032273900000000, -0.0039805300000000 ] - [ -0.0013712500000000, 0.0017946200000000, -0.0003420900000000 ] - [ 0.0001411900000000, -0.0001068600000000, -0.0000552700000000 ] - [ -0.0090369700000000, 0.0003322300000000, -0.0011266700000000 ] - [ -0.0000265900000000, -0.0001030300000000, 0.0000372100000000 ] - [ 0.0001079100000000, 0.0001410400000000, -0.0001935600000000 ] - [ 0.0002812900000000, -0.0000960300000000, 0.0003658000000000 ] - [ -0.0000146900000000, 0.0001881500000000, -0.0001438000000000 ] - [ 0.0000545700000000, 0.0000884000000000, 0.0000929700000000 ] - [ 0.0003119000000000, -0.0000038200000000, -0.0001484500000000 ] - [ 0.0000277400000000, -0.0001438100000000, 0.0001202800000000 ] - [ -0.0001843000000000, -0.0001738800000000, -0.0001015800000000 ] - [ 0.0000278600000000, 0.0000436600000000, 0.0001506200000000 ] - [ 0.0000437300000000, -0.0004038200000000, 0.0001573000000000 ] - [ -0.0001688000000000, -0.0003328400000000, -0.0001711600000000 ] - [ -0.0001478300000000, -0.0001440800000000, -0.0001226400000000 ] - [ 0.0001193100000000, 0.0001224600000000, -0.0000146200000000 ] - [ 0.0001118200000000, -0.0002262000000000, -0.0000466900000000 ] - [ -0.0001763700000000, 0.0002084700000000, -0.0002669900000000 ] - [ -0.0453466500000000, -0.0143340300000000, 0.0262140900000000 ] - [ 0.0005016200000000, 0.0000053000000000, 0.0002612000000000 ] - [ 0.0001533600000000, -0.0005483800000000, -0.0006662300000000 ] - [ -0.0000373400000000, 0.0000373700000000, -0.0002365600000000 ] - [ -0.0000893600000000, -0.0001372800000000, 0.0001424100000000 ] - [ 0.0000887800000000, 0.0002051200000000, 0.0001281000000000 ] - [ -0.0001112500000000, -0.0001630900000000, 0.0001719200000000 ] - [ -0.0002448400000000, -0.0003976700000000, 0.0001716500000000 ] - [ 0.0003265600000000, -0.0009391300000000, -0.0001050900000000 ] - [ -0.0020974600000000, -0.0004421700000000, -0.0004406600000000 ] - [ -0.0000560300000000, -0.0003244800000000, 0.0001701200000000 ] - [ 0.0000011200000000, -0.0000391300000000, -0.0001086800000000 ] - [ -0.0000683700000000, 0.0000628900000000, -0.0000881900000000 ] - [ 0.0001456100000000, 0.0003111000000000, 0.0001438900000000 ] - [ 0.0002664900000000, -0.0001081900000000, -0.0000494000000000 ] - [ 0.0000257700000000, 0.0001503400000000, 0.0001012000000000 ] - [ 0.0000857600000000, 0.0000907000000000, 0.0000734500000000 ] - [ 0.0001501700000000, 0.0003065900000000, -0.0002913700000000 ] - [ -0.0076430200000000, -0.0014495500000000, 0.0015467300000000 ] - [ 0.0000543100000000, -0.0002835100000000, 0.0000392100000000 ] - [ 0.0000588000000000, 0.0000014600000000, 0.0002307100000000 ] - [ -0.0001005400000000, 0.0000925300000000, -0.0001448100000000 ] - [ -0.0235227700000000, 0.0093179300000000, -0.0137228400000000 ] - [ -0.0000988600000000, -0.0002989600000000, 0.0000075700000000 ] - [ -0.0001064800000000, -0.0001288700000000, 0.0001083400000000 ] - [ -0.0001476000000000, -0.0001712800000000, 0.0004150000000000 ] - [ -0.0000479400000000, -0.0002020100000000, -0.0000461900000000 ] - [ 0.0000013100000000, -0.0001271200000000, -0.0000211100000000 ] - [ -0.0179243600000000, -0.0205982300000000, -0.0146368200000000 ] - [ -0.0014963900000000, -0.0010639800000000, 0.0013716000000000 ] - [ -0.0003840000000000, 0.0006920500000000, -0.0002494300000000 ]- atom: 7 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001384900000000, 0.0002617100000000, 0.0000702800000000 ] - [ 0.0001037600000000, 0.0001511900000000, 0.0001684700000000 ] - [ -0.0001249300000000, -0.0001792800000000, -0.0004053800000000 ] - [ -0.0007600500000000, 0.0002984800000000, 0.0003528900000000 ] - [ -0.0001563800000000, -0.0000415100000000, -0.0002434800000000 ] - [ 0.0003555600000000, 0.0000728900000000, -0.0001344000000000 ] - [ -0.0272965100000000, -0.1175446700000000, 0.0018313300000000 ] - [ 0.0002828000000000, -0.0004689400000000, 0.0001320100000000 ] - [ -0.0009034500000000, -0.0009013100000000, 0.0005031800000000 ] - [ 0.0014574300000000, 0.0071228400000000, 0.0049153300000000 ] - [ -0.0003658200000000, 0.0001635200000000, -0.0001948400000000 ] - [ -0.0000698400000000, -0.0001713600000000, -0.0000400200000000 ] - [ 0.0001398900000000, 0.0000563100000000, -0.0000234500000000 ] - [ 0.0001078600000000, -0.0002019200000000, 0.0002440200000000 ] - [ 0.0001806400000000, 0.0002628800000000, 0.0000752700000000 ] - [ -0.0022577000000000, 0.0034939200000000, -0.0004281900000000 ] - [ -0.0019790300000000, 0.0084545000000000, -0.0015758200000000 ] - [ 0.0000712900000000, -0.0003352700000000, -0.0001284900000000 ] - [ -0.0000008400000000, 0.0000396000000000, -0.0000545900000000 ] - [ -0.0000234500000000, -0.0000092200000000, 0.0000482100000000 ] - [ 0.0000149400000000, 0.0001270700000000, -0.0000897000000000 ] - [ 0.0000252800000000, 0.0002388900000000, 0.0000147100000000 ] - [ 0.0002993000000000, -0.0003480100000000, -0.0002333600000000 ] - [ 0.0037906500000000, 0.0029895200000000, -0.0024245100000000 ] - [ -0.0000593100000000, -0.0000073800000000, -0.0003412900000000 ] - [ 0.0003571100000000, -0.0002494400000000, -0.0002433800000000 ] - [ 0.0000480200000000, -0.0001086900000000, 0.0001544800000000 ] - [ -0.0000048500000000, -0.0001876500000000, 0.0002030000000000 ] - [ -0.0001884200000000, -0.0001899700000000, -0.0001993500000000 ] - [ -0.0001350000000000, -0.0001183100000000, 0.0001001400000000 ] - [ -0.0001734500000000, 0.0005410800000000, -0.0003880500000000 ] - [ -0.0000187000000000, -0.0000861900000000, 0.0002122000000000 ] - [ -0.0001296100000000, -0.0002992300000000, -0.0001047800000000 ] - [ 0.0000757700000000, 0.0001835000000000, -0.0001491000000000 ] - [ 0.0038379300000000, 0.0015418400000000, -0.0000952700000000 ] - [ -0.0004514400000000, 0.0013012600000000, -0.0009710300000000 ] - [ 0.0002666000000000, -0.0000837100000000, 0.0002546200000000 ] - [ -0.0067732900000000, -0.0008984700000000, 0.0003776000000000 ] - [ -0.0000265600000000, -0.0000964800000000, 0.0000148500000000 ] - [ 0.0001717400000000, -0.0000611600000000, 0.0000111500000000 ] - [ 0.0001552700000000, -0.0001540500000000, 0.0003136800000000 ] - [ 0.0000633400000000, -0.0000265900000000, -0.0003995100000000 ] - [ 0.0000961500000000, 0.0000915600000000, 0.0000584900000000 ] - [ 0.0000669900000000, -0.0002830300000000, -0.0003153000000000 ] - [ 0.0000448400000000, -0.0001584900000000, 0.0001259700000000 ] - [ -0.0001620800000000, -0.0001831100000000, -0.0001044000000000 ] - [ -0.0000107200000000, 0.0000756400000000, 0.0001180400000000 ] - [ 0.0002380000000000, -0.0000806700000000, 0.0006471200000000 ] - [ -0.0001634800000000, -0.0003231900000000, -0.0001793100000000 ] - [ -0.0001537400000000, -0.0001516800000000, -0.0001345200000000 ] - [ 0.0000735300000000, 0.0000309500000000, -0.0000917500000000 ] - [ 0.0001775800000000, -0.0001815100000000, -0.0000568700000000 ] - [ -0.0001026900000000, 0.0002666500000000, -0.0002371400000000 ] - [ 0.0279529000000000, 0.0237859500000000, -0.0179684100000000 ] - [ 0.0000635500000000, 0.0001554400000000, 0.0000218900000000 ] - [ 0.0000354500000000, -0.0003044500000000, -0.0010802900000000 ] - [ -0.0000699400000000, 0.0000269400000000, -0.0002612400000000 ] - [ -0.0000875600000000, -0.0001602500000000, 0.0001513900000000 ] - [ 0.0002578300000000, 0.0001497300000000, 0.0000461700000000 ] - [ -0.0001166300000000, -0.0001579100000000, 0.0001699400000000 ] - [ -0.0002311300000000, -0.0004034600000000, 0.0001559700000000 ] - [ 0.0011630700000000, -0.0003452700000000, -0.0001941500000000 ] - [ 0.0012454300000000, 0.0024698300000000, 0.0005564400000000 ] - [ -0.0000090000000000, -0.0003266000000000, 0.0000949000000000 ] - [ -0.0000070100000000, -0.0000217400000000, -0.0000852500000000 ] - [ -0.0000750600000000, 0.0000742600000000, -0.0000713800000000 ] - [ 0.0000772200000000, 0.0002555700000000, 0.0003455100000000 ] - [ 0.0002721800000000, 0.0000054200000000, -0.0000611500000000 ] - [ 0.0000066400000000, 0.0001388300000000, 0.0001661900000000 ] - [ -0.0000434800000000, -0.0000632700000000, 0.0000332700000000 ] - [ -0.0004550000000000, 0.0006930800000000, 0.0003353500000000 ] - [ -0.0000364700000000, -0.0019719200000000, 0.0001233200000000 ] - [ 0.0000596500000000, -0.0002813900000000, 0.0000291200000000 ] - [ 0.0000619000000000, 0.0000224300000000, 0.0002370600000000 ] - [ -0.0000060300000000, -0.0001258600000000, -0.0000514400000000 ] - [ -0.0102891400000000, 0.0242409500000000, -0.0138660800000000 ] - [ -0.0001770100000000, -0.0003955000000000, -0.0000334400000000 ] - [ -0.0001059400000000, -0.0001307100000000, 0.0001101500000000 ] - [ 0.0001109200000000, -0.0000646700000000, -0.0002977200000000 ] - [ -0.0000619700000000, -0.0002141400000000, -0.0000259600000000 ] - [ 0.0000537200000000, -0.0000312600000000, -0.0000347500000000 ] - [ 0.0092020400000000, 0.0468769800000000, 0.0298393600000000 ] - [ 0.0011123400000000, 0.0016115500000000, 0.0002822400000000 ] - [ -0.0000528900000000, 0.0008561000000000, 0.0003732000000000 ]- atom: 7 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002491200000000, 0.0001176900000000, 0.0003293100000000 ] - [ 0.0001938400000000, 0.0001084300000000, 0.0000738300000000 ] - [ -0.0000897600000000, -0.0002232700000000, -0.0000825400000000 ] - [ 0.0008277000000000, 0.0000054900000000, -0.0000892000000000 ] - [ 0.0001116100000000, 0.0000665300000000, 0.0003405100000000 ] - [ -0.0004691700000000, 0.0004837800000000, 0.0000784000000000 ] - [ 0.0270808700000000, 0.1195009900000000, -0.0003844000000000 ] - [ 0.0000651800000000, -0.0001977700000000, 0.0002082200000000 ] - [ 0.0006833300000000, 0.0011725900000000, -0.0002910600000000 ] - [ -0.0019582200000000, -0.0064063500000000, -0.0046788200000000 ] - [ 0.0003587600000000, -0.0000806800000000, -0.0000372700000000 ] - [ -0.0000534900000000, -0.0001476800000000, -0.0000219500000000 ] - [ -0.0002151500000000, 0.0001805900000000, -0.0002911400000000 ] - [ 0.0001071500000000, -0.0002003400000000, 0.0002431800000000 ] - [ 0.0000769200000000, 0.0003457000000000, 0.0001302500000000 ] - [ 0.0021121800000000, -0.0037264600000000, 0.0002686100000000 ] - [ 0.0021249000000000, -0.0080335300000000, 0.0016776800000000 ] - [ 0.0003990500000000, -0.0004748500000000, -0.0001993900000000 ] - [ 0.0000351800000000, -0.0000177700000000, -0.0000381900000000 ] - [ -0.0000105500000000, -0.0000135200000000, 0.0000457700000000 ] - [ 0.0001088300000000, 0.0001912300000000, 0.0001521500000000 ] - [ 0.0000385900000000, -0.0000219600000000, -0.0000859100000000 ] - [ -0.0001797800000000, 0.0000328700000000, 0.0002928600000000 ] - [ -0.0036051200000000, -0.0029663400000000, 0.0028935600000000 ] - [ -0.0000140700000000, -0.0002326500000000, 0.0000281800000000 ] - [ -0.0001300700000000, -0.0000686600000000, -0.0000991500000000 ] - [ 0.0000207300000000, -0.0001305300000000, 0.0001605000000000 ] - [ 0.0002645100000000, -0.0004199800000000, 0.0000035800000000 ] - [ -0.0001998200000000, -0.0001906200000000, -0.0002001800000000 ] - [ -0.0001067500000000, -0.0001441800000000, 0.0001226800000000 ] - [ -0.0001272900000000, -0.0002724200000000, 0.0001447500000000 ] - [ 0.0000813900000000, -0.0001335200000000, -0.0002816000000000 ] - [ -0.0001279400000000, -0.0003094000000000, -0.0001003200000000 ] - [ 0.0001521600000000, 0.0001322700000000, -0.0001937500000000 ] - [ -0.0039992700000000, -0.0012540300000000, -0.0000066500000000 ] - [ 0.0000969200000000, -0.0009472100000000, 0.0007842900000000 ] - [ 0.0000802800000000, -0.0002606300000000, -0.0000551000000000 ] - [ 0.0066889500000000, 0.0011230800000000, -0.0003303400000000 ] - [ -0.0000372000000000, -0.0001231300000000, 0.0000563100000000 ] - [ 0.0000406400000000, 0.0003029100000000, -0.0002163300000000 ] - [ 0.0002316900000000, -0.0002289500000000, 0.0000910100000000 ] - [ -0.0001347100000000, 0.0003432600000000, 0.0001410800000000 ] - [ 0.0000602500000000, 0.0000710400000000, 0.0001002800000000 ] - [ 0.0001456700000000, 0.0000413500000000, 0.0001086600000000 ] - [ 0.0000266400000000, -0.0001567700000000, 0.0001337600000000 ] - [ -0.0001844000000000, -0.0001607300000000, -0.0000941000000000 ] - [ 0.0000124900000000, 0.0000109600000000, 0.0001060800000000 ] - [ 0.0000525400000000, -0.0001739900000000, -0.0003940100000000 ] - [ -0.0001843200000000, -0.0003429300000000, -0.0001607800000000 ] - [ -0.0001430400000000, -0.0001085900000000, -0.0001085900000000 ] - [ 0.0001105300000000, 0.0002509700000000, -0.0001961300000000 ] - [ 0.0000067100000000, -0.0000976600000000, -0.0002282900000000 ] - [ -0.0001131100000000, 0.0001346700000000, -0.0002495500000000 ] - [ -0.0278943400000000, -0.0230447100000000, 0.0173133800000000 ] - [ -0.0000305000000000, -0.0001792900000000, -0.0001159600000000 ] - [ 0.0001209000000000, 0.0001323000000000, 0.0012612300000000 ] - [ -0.0000542200000000, -0.0000347800000000, -0.0002119700000000 ] - [ -0.0000948500000000, -0.0001184800000000, 0.0001332200000000 ] - [ 0.0000875400000000, 0.0001943800000000, 0.0001526200000000 ] - [ -0.0001104900000000, -0.0001585400000000, 0.0001725900000000 ] - [ -0.0002399200000000, -0.0004057500000000, 0.0001734100000000 ] - [ -0.0013766700000000, 0.0006506700000000, 0.0005206000000000 ] - [ -0.0015019100000000, -0.0018465500000000, -0.0007610100000000 ] - [ 0.0001134900000000, -0.0000639900000000, -0.0000134900000000 ] - [ 0.0000044900000000, -0.0000658600000000, -0.0001389900000000 ] - [ -0.0000809600000000, 0.0000892400000000, -0.0000861500000000 ] - [ 0.0002722400000000, 0.0004084700000000, -0.0000062700000000 ] - [ -0.0000318600000000, 0.0002580900000000, -0.0001616900000000 ] - [ 0.0000980700000000, 0.0002531500000000, -0.0000847600000000 ] - [ 0.0000440600000000, -0.0000256600000000, 0.0001900100000000 ] - [ 0.0009305500000000, 0.0001269600000000, -0.0006540500000000 ] - [ -0.0001952700000000, 0.0021898600000000, 0.0000828700000000 ] - [ 0.0000542300000000, -0.0002741300000000, 0.0000273200000000 ] - [ 0.0000628600000000, -0.0000145600000000, 0.0002363900000000 ] - [ -0.0001187500000000, 0.0001330800000000, -0.0004205200000000 ] - [ 0.0105877500000000, -0.0241013300000000, 0.0143525100000000 ] - [ 0.0000666000000000, -0.0001617800000000, -0.0000208700000000 ] - [ -0.0001061500000000, -0.0001105500000000, 0.0000949000000000 ] - [ -0.0001811600000000, -0.0002522700000000, 0.0000392900000000 ] - [ -0.0000414300000000, -0.0001780100000000, -0.0000555900000000 ] - [ 0.0001879500000000, -0.0002283100000000, -0.0001865500000000 ] - [ -0.0098804100000000, -0.0478349700000000, -0.0308876000000000 ] - [ -0.0009171700000000, -0.0012339500000000, 0.0002230500000000 ] - [ -0.0003366800000000, -0.0004520100000000, -0.0007686500000000 ]- atom: 7 displacement: [ -0.0027030911372206, 0.0000000000000000, 0.0096277358866911 ] forces: - [ 0.0001236500000000, 0.0001315000000000, 0.0001688700000000 ] - [ 0.0001906900000000, 0.0001397900000000, 0.0001216200000000 ] - [ -0.0001210300000000, -0.0002560000000000, -0.0003995700000000 ] - [ -0.0000138400000000, -0.0004478900000000, 0.0005041200000000 ] - [ 0.0002586900000000, 0.0002479300000000, 0.0001658100000000 ] - [ -0.0003305400000000, 0.0004318900000000, -0.0005702100000000 ] - [ 0.0252119300000000, 0.0086132600000000, -0.1101302600000000 ] - [ 0.0001339800000000, -0.0003757100000000, 0.0003220600000000 ] - [ -0.0009301100000000, 0.0000341000000000, 0.0001084900000000 ] - [ 0.0011579300000000, 0.0047411300000000, 0.0029001700000000 ] - [ 0.0001284500000000, 0.0002033300000000, 0.0004120400000000 ] - [ -0.0000571500000000, -0.0001585700000000, -0.0000262800000000 ] - [ 0.0002944400000000, -0.0000206600000000, 0.0000312900000000 ] - [ 0.0001029700000000, -0.0002010500000000, 0.0002394000000000 ] - [ 0.0001962700000000, 0.0003437800000000, 0.0001425000000000 ] - [ -0.0005011000000000, 0.0007615800000000, 0.0003008100000000 ] - [ 0.0001293800000000, -0.0027177400000000, 0.0013791300000000 ] - [ 0.0004727500000000, -0.0005074700000000, -0.0003021100000000 ] - [ 0.0000161500000000, 0.0000483800000000, -0.0001141100000000 ] - [ -0.0000398400000000, -0.0000246000000000, 0.0000412200000000 ] - [ 0.0000188900000000, 0.0001412900000000, 0.0000307800000000 ] - [ -0.0000025700000000, 0.0001240500000000, -0.0000935500000000 ] - [ 0.0002394500000000, -0.0005267600000000, 0.0001703800000000 ] - [ 0.0034958800000000, -0.0002417500000000, -0.0051522100000000 ] - [ 0.0000277200000000, -0.0001265200000000, -0.0000341400000000 ] - [ 0.0004476800000000, -0.0003587800000000, -0.0001825000000000 ] - [ 0.0000275500000000, -0.0001084400000000, 0.0001171200000000 ] - [ 0.0000979900000000, -0.0003945700000000, 0.0001309400000000 ] - [ -0.0001806000000000, -0.0001947400000000, -0.0001924700000000 ] - [ -0.0001257800000000, -0.0001288000000000, 0.0000978100000000 ] - [ -0.0002231400000000, -0.0000601600000000, -0.0003168900000000 ] - [ -0.0000979300000000, -0.0000044200000000, -0.0003965500000000 ] - [ -0.0001282900000000, -0.0003055000000000, -0.0001068400000000 ] - [ 0.0000836200000000, 0.0001382200000000, -0.0001659100000000 ] - [ -0.0005255900000000, -0.0050307400000000, -0.0061098000000000 ] - [ -0.0009747900000000, 0.0017035900000000, 0.0007042900000000 ] - [ 0.0001931900000000, -0.0002898000000000, 0.0001452000000000 ] - [ 0.0019950200000000, 0.0000611500000000, 0.0011444200000000 ] - [ -0.0000306700000000, -0.0001280500000000, 0.0000454700000000 ] - [ 0.0001087100000000, 0.0001434400000000, -0.0001308700000000 ] - [ -0.0000676600000000, 0.0000827800000000, 0.0000252700000000 ] - [ -0.0001582800000000, 0.0001373200000000, 0.0001048000000000 ] - [ -0.0000131100000000, 0.0002324700000000, 0.0000331600000000 ] - [ 0.0001492200000000, -0.0001303500000000, -0.0000940400000000 ] - [ 0.0000504600000000, -0.0001636300000000, 0.0001213300000000 ] - [ -0.0001712900000000, -0.0001710800000000, -0.0001029100000000 ] - [ 0.0000068700000000, 0.0000375100000000, 0.0001070700000000 ] - [ 0.0004561000000000, -0.0005152600000000, 0.0004169600000000 ] - [ -0.0001758900000000, -0.0003373300000000, -0.0001910500000000 ] - [ -0.0001424300000000, -0.0001529700000000, -0.0001224500000000 ] - [ -0.0000263100000000, 0.0000842200000000, 0.0000570300000000 ] - [ 0.0000024000000000, -0.0000808300000000, -0.0002190200000000 ] - [ -0.0000314500000000, 0.0002571200000000, -0.0001662500000000 ] - [ -0.0464041700000000, -0.0188377100000000, 0.0449487200000000 ] - [ 0.0004259700000000, -0.0003975400000000, -0.0000337000000000 ] - [ -0.0001025100000000, -0.0001230500000000, -0.0003807800000000 ] - [ -0.0001232600000000, -0.0001158200000000, -0.0002852000000000 ] - [ -0.0000885300000000, -0.0001469500000000, 0.0001350800000000 ] - [ 0.0001954100000000, 0.0001368500000000, 0.0000947300000000 ] - [ -0.0001106100000000, -0.0001699500000000, 0.0001727300000000 ] - [ -0.0002263500000000, -0.0004025000000000, 0.0001722900000000 ] - [ 0.0004561300000000, -0.0004528300000000, -0.0032310700000000 ] - [ -0.0001939800000000, 0.0013292600000000, 0.0029910500000000 ] - [ 0.0001235500000000, -0.0004594700000000, -0.0000124500000000 ] - [ -0.0000295200000000, -0.0000403600000000, -0.0001156900000000 ] - [ -0.0000345400000000, 0.0000751100000000, -0.0000796500000000 ] - [ 0.0001756800000000, 0.0004714400000000, 0.0002610000000000 ] - [ 0.0002089600000000, 0.0001931200000000, -0.0000721100000000 ] - [ -0.0000090600000000, 0.0001137000000000, -0.0000037800000000 ] - [ 0.0000392300000000, 0.0003563400000000, -0.0002377700000000 ] - [ 0.0006011500000000, 0.0003916200000000, 0.0007855200000000 ] - [ -0.0048049600000000, -0.0008733200000000, 0.0015427900000000 ] - [ 0.0000462500000000, -0.0002701100000000, 0.0000389600000000 ] - [ 0.0000598900000000, 0.0000179400000000, 0.0002510900000000 ] - [ -0.0002046800000000, 0.0002209300000000, -0.0002757200000000 ] - [ 0.0153342400000000, -0.0174793700000000, 0.0241396200000000 ] - [ -0.0003518300000000, -0.0001996300000000, -0.0003058500000000 ] - [ -0.0001210500000000, -0.0001077800000000, 0.0000942400000000 ] - [ 0.0000760600000000, -0.0004498500000000, 0.0005746100000000 ] - [ -0.0000571800000000, -0.0001832000000000, -0.0000582700000000 ] - [ 0.0001177000000000, -0.0001702800000000, -0.0001228600000000 ] - [ 0.0058076100000000, 0.0329755000000000, 0.0403324600000000 ] - [ -0.0017983400000000, -0.0001787200000000, 0.0033470600000000 ] - [ 0.0002440600000000, 0.0000969600000000, 0.0003633800000000 ]- atom: 7 displacement: [ 0.0027030911372206, 0.0000000000000000, -0.0096277358866911 ] forces: - [ 0.0002676500000000, 0.0002492800000000, 0.0002242700000000 ] - [ 0.0001068700000000, 0.0001170300000000, 0.0001152300000000 ] - [ -0.0000893700000000, -0.0001443600000000, -0.0000926400000000 ] - [ 0.0000947600000000, 0.0007728000000000, -0.0002500400000000 ] - [ -0.0003068200000000, -0.0002291000000000, -0.0000837000000000 ] - [ 0.0002174200000000, 0.0001269900000000, 0.0005060900000000 ] - [ -0.0270012900000000, -0.0082349200000000, 0.1117710600000000 ] - [ 0.0002204800000000, -0.0002971400000000, 0.0000164500000000 ] - [ 0.0006923200000000, 0.0002155600000000, 0.0001069700000000 ] - [ -0.0016647000000000, -0.0039198500000000, -0.0025902500000000 ] - [ -0.0001347600000000, -0.0001029900000000, -0.0006426100000000 ] - [ -0.0000707400000000, -0.0001638000000000, -0.0000365200000000 ] - [ -0.0003692300000000, 0.0002623900000000, -0.0003393400000000 ] - [ 0.0001064400000000, -0.0001986600000000, 0.0002486700000000 ] - [ 0.0000648600000000, 0.0002693200000000, 0.0000628100000000 ] - [ 0.0003425100000000, -0.0009719800000000, -0.0004566600000000 ] - [ -0.0000029900000000, 0.0033097200000000, -0.0012694500000000 ] - [ 0.0000010500000000, -0.0002920100000000, -0.0000262200000000 ] - [ 0.0000160100000000, -0.0000252800000000, 0.0000133700000000 ] - [ 0.0000073100000000, 0.0000008000000000, 0.0000602900000000 ] - [ 0.0001080600000000, 0.0001814200000000, 0.0000321600000000 ] - [ 0.0000689700000000, 0.0000965600000000, 0.0000163700000000 ] - [ -0.0001013100000000, 0.0001982200000000, -0.0001091900000000 ] - [ -0.0034099200000000, 0.0002617900000000, 0.0056316700000000 ] - [ -0.0000998000000000, -0.0001151400000000, -0.0002818900000000 ] - [ -0.0002133800000000, 0.0000322200000000, -0.0001660100000000 ] - [ 0.0000430600000000, -0.0001337400000000, 0.0001968800000000 ] - [ 0.0001601400000000, -0.0002159100000000, 0.0000741100000000 ] - [ -0.0002121200000000, -0.0001851200000000, -0.0002030700000000 ] - [ -0.0001078200000000, -0.0001340900000000, 0.0001248200000000 ] - [ -0.0000770100000000, 0.0003247100000000, 0.0000833400000000 ] - [ 0.0001623800000000, -0.0002163000000000, 0.0003243700000000 ] - [ -0.0001318400000000, -0.0003077300000000, -0.0000991600000000 ] - [ 0.0001465200000000, 0.0001793400000000, -0.0001771600000000 ] - [ 0.0003894500000000, 0.0053946400000000, 0.0060530700000000 ] - [ 0.0006371400000000, -0.0013814100000000, -0.0008855000000000 ] - [ 0.0001507300000000, -0.0000496600000000, 0.0000592600000000 ] - [ -0.0021351400000000, 0.0001476600000000, -0.0010404000000000 ] - [ -0.0000352500000000, -0.0000922700000000, 0.0000318100000000 ] - [ 0.0001002600000000, 0.0000924500000000, -0.0000693000000000 ] - [ 0.0004575800000000, -0.0004562800000000, 0.0003697400000000 ] - [ 0.0000837500000000, 0.0001732400000000, -0.0003710800000000 ] - [ 0.0001645700000000, -0.0000623500000000, 0.0001317300000000 ] - [ 0.0000608400000000, -0.0001067200000000, -0.0001100700000000 ] - [ 0.0000231700000000, -0.0001479200000000, 0.0001473200000000 ] - [ -0.0001719100000000, -0.0001695100000000, -0.0000997500000000 ] - [ -0.0000016300000000, 0.0000543300000000, 0.0001103600000000 ] - [ -0.0001535900000000, 0.0002630500000000, -0.0001684900000000 ] - [ -0.0001768900000000, -0.0003321300000000, -0.0001496500000000 ] - [ -0.0001553900000000, -0.0001043600000000, -0.0001144900000000 ] - [ 0.0002114300000000, 0.0001998900000000, -0.0003438300000000 ] - [ 0.0001839600000000, -0.0002048600000000, -0.0000661700000000 ] - [ -0.0001778800000000, 0.0001416700000000, -0.0003217500000000 ] - [ 0.0477093900000000, 0.0205029900000000, -0.0463519400000000 ] - [ -0.0003951600000000, 0.0003834000000000, -0.0000700300000000 ] - [ 0.0002527000000000, -0.0000469500000000, 0.0005487500000000 ] - [ 0.0000038000000000, 0.0001132900000000, -0.0001906000000000 ] - [ -0.0000967700000000, -0.0001370700000000, 0.0001496300000000 ] - [ 0.0001455200000000, 0.0002043600000000, 0.0001073800000000 ] - [ -0.0001195500000000, -0.0001476800000000, 0.0001712000000000 ] - [ -0.0002463900000000, -0.0003984200000000, 0.0001554700000000 ] - [ -0.0006761800000000, 0.0007762600000000, 0.0035798200000000 ] - [ -0.0000761000000000, -0.0007314600000000, -0.0031931400000000 ] - [ -0.0000290400000000, 0.0000622900000000, 0.0000857100000000 ] - [ 0.0000252500000000, -0.0000511200000000, -0.0001017900000000 ] - [ -0.0001189900000000, 0.0000937100000000, -0.0000833900000000 ] - [ 0.0001771500000000, 0.0001960100000000, 0.0000785300000000 ] - [ 0.0000247900000000, 0.0000713300000000, -0.0001482600000000 ] - [ 0.0001095000000000, 0.0002779500000000, 0.0000782800000000 ] - [ -0.0000374000000000, -0.0004406300000000, 0.0004518700000000 ] - [ -0.0001272100000000, 0.0004175100000000, -0.0011021700000000 ] - [ 0.0046274700000000, 0.0011763400000000, -0.0014133500000000 ] - [ 0.0000671800000000, -0.0002887400000000, 0.0000222100000000 ] - [ 0.0000601200000000, -0.0000147600000000, 0.0002244600000000 ] - [ 0.0000878300000000, -0.0002204000000000, -0.0002003000000000 ] - [ -0.0149388700000000, 0.0174549800000000, -0.0239246800000000 ] - [ 0.0002272900000000, -0.0003600200000000, 0.0002427500000000 ] - [ -0.0000877800000000, -0.0001281200000000, 0.0001062900000000 ] - [ -0.0001603100000000, 0.0001337800000000, -0.0008230700000000 ] - [ -0.0000429700000000, -0.0002082700000000, -0.0000166600000000 ] - [ 0.0001133000000000, -0.0000948500000000, -0.0001020100000000 ] - [ -0.0061356200000000, -0.0335281100000000, -0.0406002800000000 ] - [ 0.0020104500000000, 0.0005737600000000, -0.0028629000000000 ] - [ -0.0006423100000000, 0.0002891000000000, -0.0007655700000000 ]- atom: 8 displacement: [ 0.0099998398488412, 0.0000000000000000, -0.0000565950309369 ] forces: - [ 0.0001992300000000, 0.0001736200000000, 0.0001857200000000 ] - [ 0.0001460000000000, 0.0001327400000000, 0.0001050700000000 ] - [ 0.0000402200000000, -0.0000669100000000, 0.0003390700000000 ] - [ -0.0001188500000000, 0.0004023000000000, 0.0001399400000000 ] - [ 0.0001528500000000, 0.0013057600000000, 0.0007413400000000 ] - [ -0.0000620400000000, 0.0002869600000000, -0.0000273100000000 ] - [ -0.0002352700000000, 0.0002546700000000, 0.0000609600000000 ] - [ -0.1201351900000000, -0.0137294900000000, 0.0094170800000000 ] - [ -0.0001356000000000, 0.0001182000000000, 0.0001277200000000 ] - [ -0.0000319700000000, 0.0003165700000000, 0.0000088500000000 ] - [ 0.0000946800000000, -0.0000477500000000, -0.0000228800000000 ] - [ -0.0000693300000000, -0.0000195600000000, -0.0001484500000000 ] - [ -0.0000162300000000, 0.0001292500000000, -0.0001776100000000 ] - [ -0.0000985500000000, -0.0003028800000000, 0.0001546800000000 ] - [ 0.0001417000000000, 0.0003106000000000, 0.0000999500000000 ] - [ -0.0000660000000000, -0.0000848400000000, -0.0001151500000000 ] - [ 0.0000543700000000, 0.0003440800000000, 0.0000053500000000 ] - [ -0.0007720100000000, -0.0012123200000000, 0.0001447300000000 ] - [ 0.0000193600000000, 0.0000038400000000, -0.0000658700000000 ] - [ -0.0000133800000000, -0.0000038500000000, 0.0001405400000000 ] - [ 0.0000674500000000, 0.0001606800000000, 0.0000328300000000 ] - [ 0.0000305600000000, 0.0001132200000000, -0.0000528000000000 ] - [ 0.0008206000000000, 0.0008450700000000, 0.0001736000000000 ] - [ -0.0000347400000000, 0.0000915300000000, 0.0003897800000000 ] - [ 0.0031123200000000, 0.0004305200000000, 0.0002874100000000 ] - [ 0.0021405500000000, 0.0002572500000000, -0.0015532800000000 ] - [ -0.0001355800000000, -0.0001352900000000, 0.0003097500000000 ] - [ 0.0044242400000000, 0.0068327700000000, 0.0012383500000000 ] - [ -0.0001739300000000, -0.0001389600000000, -0.0000580800000000 ] - [ 0.0000882400000000, -0.0002378000000000, 0.0002315500000000 ] - [ -0.0004896000000000, 0.0001514900000000, 0.0002674000000000 ] - [ 0.0042525700000000, -0.0050646400000000, 0.0123404900000000 ] - [ -0.0001631000000000, -0.0003186500000000, -0.0001357800000000 ] - [ 0.0001157900000000, 0.0001586700000000, -0.0001754200000000 ] - [ 0.0000557100000000, 0.0000758200000000, 0.0000802400000000 ] - [ -0.0000257500000000, 0.0002342500000000, 0.0000663600000000 ] - [ 0.0059160500000000, 0.0034724800000000, -0.0005737100000000 ] - [ -0.0002320300000000, -0.0002589800000000, -0.0000475000000000 ] - [ -0.0000695900000000, -0.0001554900000000, 0.0000604200000000 ] - [ 0.0000978500000000, 0.0001243000000000, -0.0000973400000000 ] - [ 0.0000523100000000, 0.0000541000000000, 0.0003404900000000 ] - [ -0.0000398000000000, 0.0001709500000000, -0.0001417800000000 ] - [ 0.0003809700000000, -0.0013464300000000, -0.0005272000000000 ] - [ 0.0403707000000000, -0.0266137900000000, 0.0058817200000000 ] - [ 0.0000507300000000, -0.0000405300000000, 0.0001939400000000 ] - [ -0.0002620000000000, -0.0000830800000000, -0.0001883300000000 ] - [ -0.0000058400000000, 0.0000440700000000, 0.0000892100000000 ] - [ 0.0005328600000000, -0.0003388100000000, 0.0002400800000000 ] - [ -0.0000240800000000, -0.0003531400000000, -0.0001467000000000 ] - [ -0.0001430000000000, -0.0001309000000000, -0.0000858900000000 ] - [ 0.0000916200000000, 0.0001351000000000, -0.0001455400000000 ] - [ 0.0463337300000000, 0.0284270000000000, -0.0370607000000000 ] - [ -0.0000997400000000, 0.0002036200000000, -0.0002342800000000 ] - [ -0.0002094700000000, 0.0002345600000000, -0.0000444300000000 ] - [ 0.0014887000000000, -0.0006223500000000, 0.0005045400000000 ] - [ 0.0000648000000000, -0.0000734300000000, 0.0000947200000000 ] - [ -0.0000559600000000, 0.0000081100000000, -0.0002360600000000 ] - [ -0.0000692600000000, -0.0000461100000000, 0.0001501300000000 ] - [ 0.0001807300000000, 0.0001618700000000, 0.0001072000000000 ] - [ -0.0000898400000000, -0.0001380500000000, 0.0002043400000000 ] - [ -0.0001772500000000, -0.0003922700000000, 0.0000866500000000 ] - [ -0.0001705700000000, 0.0001684200000000, 0.0003297000000000 ] - [ -0.0001493000000000, 0.0004057500000000, -0.0001259300000000 ] - [ -0.0010856600000000, 0.0004897200000000, -0.0053448600000000 ] - [ -0.0000120600000000, -0.0000488400000000, -0.0000934100000000 ] - [ 0.0000009600000000, 0.0002321100000000, 0.0002139800000000 ] - [ 0.0001764900000000, 0.0003346000000000, 0.0001658300000000 ] - [ 0.0001028300000000, 0.0001401600000000, -0.0001125200000000 ] - [ 0.0000517300000000, 0.0002047600000000, 0.0000335500000000 ] - [ -0.0003348200000000, -0.0005951200000000, 0.0005177300000000 ] - [ 0.0002492700000000, 0.0003789100000000, -0.0001683900000000 ] - [ -0.0000127800000000, -0.0000316500000000, 0.0001744900000000 ] - [ 0.0000338700000000, -0.0003159500000000, 0.0000307300000000 ] - [ 0.0000809600000000, -0.0000368500000000, 0.0002522000000000 ] - [ 0.0128596100000000, 0.0058136600000000, 0.0112193000000000 ] - [ -0.0000012500000000, 0.0001150000000000, -0.0001369200000000 ] - [ 0.0008459500000000, -0.0018858500000000, -0.0000470100000000 ] - [ -0.0000922400000000, -0.0000662000000000, 0.0000290000000000 ] - [ -0.0000957800000000, -0.0000772400000000, -0.0001333800000000 ] - [ 0.0000188000000000, -0.0001856600000000, 0.0000523200000000 ] - [ -0.0000404700000000, 0.0002642800000000, -0.0001658200000000 ] - [ 0.0002529300000000, 0.0000613600000000, 0.0002544600000000 ] - [ 0.0000733400000000, 0.0002115500000000, 0.0002386300000000 ] - [ -0.0000143300000000, 0.0002132900000000, -0.0001638100000000 ]- atom: 8 displacement: [ -0.0099998398488412, 0.0000000000000000, 0.0000565950309369 ] forces: - [ 0.0001883300000000, 0.0002022800000000, 0.0002179400000000 ] - [ 0.0001592000000000, 0.0001287500000000, 0.0001212900000000 ] - [ -0.0002534200000000, -0.0003306300000000, -0.0008539500000000 ] - [ 0.0002025200000000, -0.0000874400000000, 0.0001208600000000 ] - [ -0.0001895900000000, -0.0012918800000000, -0.0006340000000000 ] - [ -0.0000485600000000, 0.0002757500000000, -0.0000228900000000 ] - [ 0.0000538300000000, 0.0000289300000000, 0.0002269500000000 ] - [ 0.1211027900000000, 0.0105646500000000, -0.0075599300000000 ] - [ -0.0000988600000000, 0.0001536900000000, 0.0001007700000000 ] - [ -0.0004514600000000, 0.0004833900000000, 0.0003259300000000 ] - [ -0.0000986200000000, 0.0001313000000000, -0.0002038100000000 ] - [ -0.0000425500000000, -0.0002897800000000, 0.0000796200000000 ] - [ -0.0000597100000000, 0.0001031600000000, -0.0001484300000000 ] - [ 0.0003183700000000, -0.0000923200000000, 0.0003404900000000 ] - [ 0.0001139900000000, 0.0002942900000000, 0.0001016400000000 ] - [ -0.0000777700000000, -0.0000908800000000, -0.0000366700000000 ] - [ 0.0000546800000000, 0.0002195100000000, 0.0000418000000000 ] - [ 0.0012269700000000, 0.0003953800000000, -0.0004858100000000 ] - [ 0.0000165000000000, 0.0000224500000000, -0.0000401900000000 ] - [ -0.0000230000000000, -0.0000230800000000, -0.0000349600000000 ] - [ 0.0000458800000000, 0.0001483300000000, 0.0000375900000000 ] - [ 0.0000313000000000, 0.0001067700000000, -0.0000160300000000 ] - [ -0.0006873500000000, -0.0011312600000000, -0.0000800900000000 ] - [ 0.0001560600000000, -0.0000949900000000, 0.0000810000000000 ] - [ -0.0031070600000000, -0.0006467100000000, -0.0006663400000000 ] - [ -0.0019374800000000, -0.0005832500000000, 0.0011930800000000 ] - [ 0.0002117000000000, -0.0000955500000000, 0.0000119900000000 ] - [ -0.0041560000000000, -0.0075131900000000, -0.0009943000000000 ] - [ -0.0002133800000000, -0.0002369700000000, -0.0003447300000000 ] - [ -0.0003244100000000, -0.0000332500000000, -0.0000038100000000 ] - [ 0.0001961600000000, 0.0001084700000000, -0.0004920200000000 ] - [ -0.0042180700000000, 0.0048850100000000, -0.0124321100000000 ] - [ -0.0000925700000000, -0.0002849400000000, -0.0000645600000000 ] - [ 0.0001176200000000, 0.0001575700000000, -0.0001711100000000 ] - [ -0.0001698600000000, 0.0002317400000000, -0.0001509500000000 ] - [ -0.0003266000000000, 0.0001114700000000, -0.0002583700000000 ] - [ -0.0056584600000000, -0.0037742900000000, 0.0007582100000000 ] - [ 0.0001709600000000, 0.0004824600000000, 0.0001161000000000 ] - [ 0.0000070100000000, -0.0000656300000000, 0.0000082900000000 ] - [ 0.0001170400000000, 0.0001176400000000, -0.0001127700000000 ] - [ 0.0003327900000000, -0.0004252900000000, 0.0000655400000000 ] - [ -0.0000330500000000, 0.0001443600000000, -0.0001217300000000 ] - [ -0.0002389400000000, 0.0015316800000000, 0.0006768200000000 ] - [ -0.0419597100000000, 0.0278560500000000, -0.0062802100000000 ] - [ 0.0000234200000000, -0.0002755600000000, 0.0000675600000000 ] - [ -0.0000894300000000, -0.0002657900000000, -0.0000015100000000 ] - [ 0.0000084500000000, 0.0000402600000000, 0.0001382400000000 ] - [ -0.0002295400000000, 0.0000659400000000, -0.0000261600000000 ] - [ -0.0003205100000000, -0.0003121800000000, -0.0001853800000000 ] - [ -0.0001622600000000, -0.0001301000000000, -0.0001414700000000 ] - [ 0.0000892400000000, 0.0001487100000000, -0.0001416800000000 ] - [ -0.0450621800000000, -0.0276213200000000, 0.0355692700000000 ] - [ -0.0001208000000000, 0.0001910800000000, -0.0002617900000000 ] - [ -0.0001375900000000, 0.0004299000000000, -0.0002925700000000 ] - [ -0.0014516100000000, 0.0005749300000000, -0.0005905600000000 ] - [ 0.0000786900000000, -0.0001041500000000, 0.0000564000000000 ] - [ -0.0000662700000000, -0.0000129100000000, -0.0002369200000000 ] - [ -0.0001121700000000, -0.0002358700000000, 0.0001349300000000 ] - [ 0.0001727000000000, 0.0001849300000000, 0.0000832000000000 ] - [ -0.0001427600000000, -0.0001781100000000, 0.0001411700000000 ] - [ -0.0003080400000000, -0.0004114700000000, 0.0002503400000000 ] - [ -0.0000633500000000, 0.0001509800000000, 0.0000150000000000 ] - [ -0.0001065900000000, 0.0001994200000000, -0.0000746900000000 ] - [ 0.0011826700000000, -0.0009142900000000, 0.0054304600000000 ] - [ 0.0000076600000000, -0.0000356600000000, -0.0001341000000000 ] - [ -0.0001446600000000, -0.0000536800000000, -0.0003590400000000 ] - [ 0.0001699700000000, 0.0003306500000000, 0.0001706900000000 ] - [ 0.0001320000000000, 0.0001318600000000, -0.0001172600000000 ] - [ 0.0000503800000000, 0.0001905800000000, 0.0000376800000000 ] - [ 0.0003408500000000, 0.0005113000000000, -0.0002768000000000 ] - [ 0.0002340800000000, 0.0004218100000000, -0.0001681600000000 ] - [ -0.0002026100000000, 0.0002742400000000, 0.0000339400000000 ] - [ 0.0000776800000000, -0.0002457400000000, 0.0000231300000000 ] - [ 0.0000406400000000, 0.0000418000000000, 0.0002217900000000 ] - [ -0.0128703400000000, -0.0058488500000000, -0.0117980700000000 ] - [ -0.0000992900000000, 0.0002780000000000, 0.0000680900000000 ] - [ -0.0009431600000000, 0.0013187200000000, -0.0000014000000000 ] - [ -0.0001223700000000, -0.0001765000000000, 0.0001817400000000 ] - [ 0.0000246900000000, -0.0002392400000000, -0.0001296900000000 ] - [ -0.0001201400000000, -0.0002083500000000, -0.0001242700000000 ] - [ 0.0002874100000000, -0.0005281900000000, -0.0000655300000000 ] - [ -0.0001762300000000, 0.0001699900000000, 0.0000710700000000 ] - [ 0.0001480900000000, 0.0001827500000000, 0.0002582800000000 ] - [ -0.0003739300000000, 0.0001662800000000, -0.0002420700000000 ]- atom: 8 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001948800000000, 0.0001841700000000, 0.0002244600000000 ] - [ 0.0001542900000000, 0.0001306500000000, 0.0001093000000000 ] - [ 0.0001603600000000, 0.0001344100000000, -0.0006459600000000 ] - [ -0.0001277300000000, 0.0000548700000000, -0.0000084700000000 ] - [ 0.0005248300000000, -0.0008300900000000, 0.0007424600000000 ] - [ -0.0000459400000000, 0.0002842200000000, 0.0000043600000000 ] - [ -0.0000046200000000, 0.0000036100000000, 0.0001257300000000 ] - [ -0.0114726900000000, -0.1239488200000000, -0.0067674900000000 ] - [ -0.0000330700000000, 0.0002343600000000, 0.0001484200000000 ] - [ -0.0003955900000000, 0.0004669400000000, 0.0003662900000000 ] - [ 0.0000131600000000, 0.0000426500000000, 0.0000222900000000 ] - [ -0.0000452900000000, -0.0001021800000000, 0.0000327300000000 ] - [ -0.0000448700000000, 0.0000935700000000, -0.0001667100000000 ] - [ 0.0001392700000000, -0.0002541900000000, 0.0003075500000000 ] - [ 0.0001197300000000, 0.0002837200000000, 0.0000967900000000 ] - [ -0.0000323700000000, -0.0001149600000000, -0.0000982900000000 ] - [ 0.0003267200000000, 0.0001797300000000, 0.0002204600000000 ] - [ 0.0000666500000000, 0.0005333300000000, -0.0008291800000000 ] - [ 0.0000226900000000, 0.0000144000000000, -0.0000541000000000 ] - [ -0.0000227700000000, 0.0000023500000000, 0.0000001000000000 ] - [ 0.0000616000000000, 0.0001421700000000, 0.0000419400000000 ] - [ 0.0000169400000000, 0.0001190800000000, -0.0000159100000000 ] - [ 0.0012444800000000, 0.0012523100000000, 0.0010647600000000 ] - [ -0.0001256200000000, 0.0005223100000000, -0.0001272800000000 ] - [ 0.0053497000000000, 0.0040330400000000, -0.0018040700000000 ] - [ 0.0012073000000000, 0.0015181800000000, -0.0007124800000000 ] - [ -0.0000697800000000, -0.0000725800000000, 0.0004641400000000 ] - [ 0.0031077700000000, 0.0041667000000000, 0.0016699300000000 ] - [ -0.0001829400000000, -0.0002545600000000, -0.0002296200000000 ] - [ -0.0000344800000000, -0.0000064000000000, 0.0001110000000000 ] - [ -0.0002821800000000, 0.0002460300000000, -0.0002271600000000 ] - [ -0.0011624800000000, 0.0055873200000000, -0.0078524900000000 ] - [ -0.0001354200000000, -0.0002761300000000, -0.0000749300000000 ] - [ 0.0001116900000000, 0.0001606600000000, -0.0001738800000000 ] - [ -0.0001544600000000, 0.0002635900000000, -0.0000323800000000 ] - [ -0.0001330600000000, 0.0002128300000000, -0.0000814200000000 ] - [ 0.0019152900000000, -0.0052785700000000, 0.0026124800000000 ] - [ 0.0000739700000000, -0.0000127400000000, -0.0001238000000000 ] - [ -0.0000126300000000, -0.0000549800000000, 0.0001154900000000 ] - [ 0.0001244000000000, 0.0001186900000000, -0.0001062100000000 ] - [ 0.0003904300000000, -0.0002302000000000, 0.0000369800000000 ] - [ -0.0000260600000000, 0.0001656100000000, -0.0001254500000000 ] - [ -0.0001743400000000, 0.0024899300000000, 0.0000457900000000 ] - [ -0.0308094400000000, 0.0382130200000000, -0.0056395000000000 ] - [ 0.0000691100000000, -0.0001418600000000, 0.0001377500000000 ] - [ -0.0002446800000000, -0.0001173500000000, -0.0001701600000000 ] - [ 0.0000135000000000, 0.0000330400000000, 0.0001307500000000 ] - [ 0.0004738100000000, -0.0001847900000000, 0.0008798000000000 ] - [ -0.0001469600000000, -0.0004628300000000, -0.0002719900000000 ] - [ -0.0001409300000000, -0.0001262100000000, -0.0001238000000000 ] - [ 0.0000838400000000, 0.0001498800000000, -0.0001419500000000 ] - [ 0.0153983700000000, 0.0233418300000000, -0.0165719600000000 ] - [ -0.0001268200000000, 0.0001953200000000, -0.0002486400000000 ] - [ -0.0002637600000000, 0.0006376800000000, -0.0000032800000000 ] - [ -0.0000157800000000, -0.0023731800000000, 0.0028699800000000 ] - [ 0.0000755300000000, -0.0000800200000000, 0.0000642600000000 ] - [ -0.0000690600000000, -0.0000143400000000, -0.0002297800000000 ] - [ -0.0001068600000000, -0.0002145700000000, -0.0000065100000000 ] - [ 0.0001920100000000, 0.0001756200000000, 0.0000910100000000 ] - [ -0.0001272100000000, -0.0001542800000000, 0.0001502100000000 ] - [ -0.0003344100000000, -0.0002159100000000, 0.0002209000000000 ] - [ -0.0001363000000000, 0.0003129000000000, 0.0002192000000000 ] - [ -0.0000733400000000, 0.0002699000000000, -0.0001033200000000 ] - [ -0.0014036500000000, 0.0035162000000000, -0.0067354800000000 ] - [ 0.0000270800000000, -0.0000443100000000, -0.0001088000000000 ] - [ -0.0000748100000000, -0.0000700600000000, -0.0001056400000000 ] - [ 0.0001646700000000, 0.0003434300000000, 0.0001685700000000 ] - [ 0.0001238900000000, 0.0001474200000000, -0.0001238000000000 ] - [ 0.0000582700000000, 0.0001938400000000, 0.0000362100000000 ] - [ -0.0003682400000000, 0.0020210700000000, -0.0019315400000000 ] - [ 0.0002283200000000, 0.0004031700000000, -0.0001784900000000 ] - [ -0.0001509800000000, 0.0001281100000000, 0.0004104300000000 ] - [ 0.0001083900000000, -0.0004162900000000, 0.0000513900000000 ] - [ 0.0001072300000000, 0.0001148800000000, 0.0002378300000000 ] - [ 0.0176652400000000, 0.0434555300000000, 0.0393556400000000 ] - [ -0.0000324600000000, 0.0004246300000000, -0.0001643100000000 ] - [ -0.0004362500000000, -0.0006118500000000, -0.0001821500000000 ] - [ -0.0001794000000000, -0.0002157300000000, 0.0002187000000000 ] - [ -0.0003255300000000, -0.0000645200000000, -0.0002637800000000 ] - [ -0.0000236400000000, -0.0002068300000000, -0.0000175100000000 ] - [ 0.0004469300000000, -0.0009706600000000, -0.0002329800000000 ] - [ -0.0001237500000000, 0.0001166600000000, 0.0000800200000000 ] - [ 0.0001462500000000, 0.0001848800000000, 0.0003092700000000 ] - [ -0.0002759300000000, 0.0001015700000000, -0.0003827600000000 ]- atom: 8 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001987000000000, 0.0001952200000000, 0.0001848800000000 ] - [ 0.0001529300000000, 0.0001282300000000, 0.0001207100000000 ] - [ -0.0003814300000000, -0.0005289500000000, 0.0001473800000000 ] - [ 0.0001989500000000, 0.0002589900000000, 0.0002697800000000 ] - [ -0.0005639600000000, 0.0008465800000000, -0.0006434200000000 ] - [ -0.0000623900000000, 0.0002840100000000, -0.0000499200000000 ] - [ -0.0001738400000000, 0.0002805100000000, 0.0001625900000000 ] - [ 0.0129308200000000, 0.1235887500000000, 0.0092692400000000 ] - [ -0.0001997900000000, 0.0000422300000000, 0.0000851400000000 ] - [ -0.0000913700000000, 0.0003345900000000, -0.0000257400000000 ] - [ -0.0000235100000000, 0.0000427400000000, -0.0002522600000000 ] - [ -0.0000606000000000, -0.0002043800000000, -0.0001009800000000 ] - [ -0.0000335700000000, 0.0001383200000000, -0.0001592800000000 ] - [ 0.0000841000000000, -0.0001377400000000, 0.0001869200000000 ] - [ 0.0001360500000000, 0.0003164800000000, 0.0001024000000000 ] - [ -0.0001109100000000, -0.0000663900000000, -0.0000512400000000 ] - [ -0.0002179500000000, 0.0003843400000000, -0.0001724800000000 ] - [ 0.0004360100000000, -0.0013485000000000, 0.0004925700000000 ] - [ 0.0000099000000000, 0.0000100900000000, -0.0000446300000000 ] - [ -0.0000090000000000, -0.0000269900000000, 0.0000981400000000 ] - [ 0.0000497400000000, 0.0001650300000000, 0.0000287900000000 ] - [ 0.0000489600000000, 0.0001088500000000, -0.0000496700000000 ] - [ -0.0011329500000000, -0.0015439200000000, -0.0009814900000000 ] - [ 0.0002537000000000, -0.0005285100000000, 0.0005931400000000 ] - [ -0.0053644500000000, -0.0042251200000000, 0.0014537200000000 ] - [ -0.0009827600000000, -0.0018827200000000, 0.0003726800000000 ] - [ 0.0001414800000000, -0.0001542700000000, -0.0001363900000000 ] - [ -0.0028678500000000, -0.0047743600000000, -0.0014891800000000 ] - [ -0.0002093000000000, -0.0001226100000000, -0.0001768000000000 ] - [ -0.0002011900000000, -0.0002733500000000, 0.0001233500000000 ] - [ -0.0000305700000000, 0.0000099700000000, -0.0000005000000000 ] - [ 0.0011990800000000, -0.0057809000000000, 0.0077793700000000 ] - [ -0.0001201800000000, -0.0003226900000000, -0.0001224400000000 ] - [ 0.0001229900000000, 0.0001520700000000, -0.0001734100000000 ] - [ 0.0000424700000000, 0.0000449300000000, -0.0000373400000000 ] - [ -0.0002246400000000, 0.0001394600000000, -0.0001013700000000 ] - [ -0.0015303600000000, 0.0049293900000000, -0.0024241500000000 ] - [ -0.0001384800000000, 0.0002369800000000, 0.0001865400000000 ] - [ -0.0000536100000000, -0.0001729300000000, -0.0000491700000000 ] - [ 0.0000949100000000, 0.0001252500000000, -0.0001094000000000 ] - [ -0.0000063200000000, -0.0001488900000000, 0.0003710500000000 ] - [ -0.0000485200000000, 0.0001475800000000, -0.0001336500000000 ] - [ 0.0003204200000000, -0.0023758000000000, 0.0001194500000000 ] - [ 0.0299386800000000, -0.0378676700000000, 0.0052651600000000 ] - [ 0.0000046500000000, -0.0001687900000000, 0.0001224200000000 ] - [ -0.0001122400000000, -0.0002333000000000, -0.0000156000000000 ] - [ -0.0000031200000000, 0.0000542900000000, 0.0001007000000000 ] - [ -0.0001624700000000, -0.0000640400000000, -0.0006517200000000 ] - [ -0.0001959500000000, -0.0002022300000000, -0.0000611200000000 ] - [ -0.0001663500000000, -0.0001320500000000, -0.0001067300000000 ] - [ 0.0000932300000000, 0.0001354800000000, -0.0001464600000000 ] - [ -0.0147173700000000, -0.0234931100000000, 0.0158231600000000 ] - [ -0.0000952700000000, 0.0001959000000000, -0.0002464900000000 ] - [ -0.0000790600000000, 0.0000307200000000, -0.0003284200000000 ] - [ 0.0000781900000000, 0.0023665600000000, -0.0029600100000000 ] - [ 0.0000673700000000, -0.0001008000000000, 0.0000869500000000 ] - [ -0.0000579000000000, 0.0000050300000000, -0.0002394900000000 ] - [ -0.0000725000000000, -0.0000670600000000, 0.0002910500000000 ] - [ 0.0001646700000000, 0.0001754100000000, 0.0000932000000000 ] - [ -0.0001066200000000, -0.0001585400000000, 0.0001965800000000 ] - [ -0.0001519700000000, -0.0005886700000000, 0.0001169100000000 ] - [ -0.0001007100000000, 0.0000019600000000, 0.0001305800000000 ] - [ -0.0001815200000000, 0.0003306200000000, -0.0000980700000000 ] - [ 0.0015290800000000, -0.0038862800000000, 0.0067492900000000 ] - [ -0.0000369800000000, -0.0000430100000000, -0.0001222900000000 ] - [ -0.0000683700000000, 0.0002563400000000, -0.0000363200000000 ] - [ 0.0001773100000000, 0.0003226700000000, 0.0001641500000000 ] - [ 0.0001088200000000, 0.0001303500000000, -0.0001114600000000 ] - [ 0.0000400400000000, 0.0002035700000000, 0.0000389600000000 ] - [ 0.0003848400000000, -0.0021209100000000, 0.0021656400000000 ] - [ 0.0002590500000000, 0.0003960300000000, -0.0001628000000000 ] - [ -0.0000687100000000, 0.0001127700000000, -0.0001961200000000 ] - [ 0.0000000800000000, -0.0001468900000000, -0.0000010100000000 ] - [ 0.0000192600000000, -0.0001051700000000, 0.0002311500000000 ] - [ -0.0184134600000000, -0.0444899600000000, -0.0413185900000000 ] - [ -0.0000625700000000, -0.0000233200000000, 0.0000904900000000 ] - [ 0.0003108100000000, 0.0000485000000000, 0.0001279600000000 ] - [ -0.0000404800000000, -0.0000269100000000, -0.0000039100000000 ] - [ 0.0002522000000000, -0.0002529300000000, 0.0000084300000000 ] - [ -0.0000730400000000, -0.0001880300000000, -0.0000590300000000 ] - [ -0.0002045600000000, 0.0007014500000000, -0.0000065800000000 ] - [ 0.0002023100000000, 0.0001154500000000, 0.0002448700000000 ] - [ 0.0000756600000000, 0.0002065900000000, 0.0001864100000000 ] - [ -0.0001167700000000, 0.0002784300000000, -0.0000247500000000 ]- atom: 8 displacement: [ -0.0027030911372206, 0.0000000000000000, 0.0096277358866911 ] forces: - [ 0.0001941500000000, 0.0001918900000000, 0.0002039100000000 ] - [ 0.0001665700000000, 0.0001174900000000, 0.0001194600000000 ] - [ 0.0005252500000000, -0.0006487500000000, -0.0028641500000000 ] - [ 0.0001080700000000, -0.0000942100000000, 0.0004377800000000 ] - [ 0.0009213200000000, -0.0004867400000000, 0.0012743000000000 ] - [ -0.0000567600000000, 0.0002792500000000, -0.0000087000000000 ] - [ -0.0001463900000000, 0.0000744500000000, 0.0002891500000000 ] - [ 0.0396798900000000, -0.0047300600000000, -0.1037522900000000 ] - [ -0.0000884600000000, 0.0001938400000000, 0.0002720200000000 ] - [ -0.0001462400000000, 0.0002682400000000, 0.0001127500000000 ] - [ 0.0001105800000000, 0.0001776300000000, -0.0001429000000000 ] - [ -0.0003239800000000, -0.0001186000000000, 0.0000319000000000 ] - [ -0.0000539300000000, 0.0001156100000000, -0.0001508300000000 ] - [ 0.0000293500000000, -0.0001818100000000, 0.0000299900000000 ] - [ 0.0001272600000000, 0.0003037700000000, 0.0001121900000000 ] - [ -0.0001604100000000, -0.0000864500000000, -0.0001649400000000 ] - [ 0.0001728700000000, 0.0003130000000000, 0.0001982700000000 ] - [ -0.0004474400000000, -0.0003313500000000, -0.0010571000000000 ] - [ 0.0000205300000000, 0.0000236600000000, -0.0000635900000000 ] - [ -0.0000098200000000, -0.0000139500000000, 0.0000930300000000 ] - [ 0.0000842200000000, 0.0001461700000000, 0.0000372900000000 ] - [ 0.0000312000000000, 0.0001120400000000, -0.0000181900000000 ] - [ 0.0000103200000000, 0.0008577000000000, 0.0029029900000000 ] - [ 0.0000624200000000, 0.0007638300000000, 0.0000597700000000 ] - [ 0.0023533100000000, 0.0004392800000000, -0.0075838400000000 ] - [ -0.0014707700000000, -0.0006541300000000, 0.0031730300000000 ] - [ 0.0002249800000000, -0.0001620300000000, 0.0000603500000000 ] - [ -0.0019637800000000, -0.0031356900000000, -0.0071186400000000 ] - [ -0.0002361400000000, -0.0001164300000000, -0.0001826800000000 ] - [ -0.0001583700000000, -0.0002739000000000, 0.0001525800000000 ] - [ -0.0000575400000000, 0.0001355800000000, -0.0003980100000000 ] - [ 0.0017646800000000, -0.0022037100000000, 0.0029753300000000 ] - [ -0.0001316700000000, -0.0003496400000000, -0.0002619700000000 ] - [ 0.0001086900000000, 0.0001567400000000, -0.0001755500000000 ] - [ -0.0001675000000000, 0.0000568800000000, 0.0000167500000000 ] - [ -0.0001478500000000, 0.0002357500000000, -0.0000806500000000 ] - [ -0.0031284600000000, -0.0017942800000000, 0.0004345700000000 ] - [ -0.0001349800000000, -0.0003265500000000, 0.0000376600000000 ] - [ -0.0000359700000000, -0.0001905000000000, -0.0000352300000000 ] - [ 0.0000968400000000, 0.0001084000000000, -0.0000947700000000 ] - [ -0.0002824900000000, 0.0001374400000000, -0.0004515000000000 ] - [ -0.0000357400000000, 0.0001658800000000, -0.0001335900000000 ] - [ 0.0000925600000000, 0.0014587300000000, -0.0004575500000000 ] - [ -0.0129965300000000, 0.0092358000000000, 0.0039364700000000 ] - [ -0.0000213200000000, -0.0002073600000000, 0.0001161600000000 ] - [ -0.0002074000000000, -0.0001507700000000, -0.0001468600000000 ] - [ 0.0000139400000000, 0.0000408300000000, 0.0001150900000000 ] - [ 0.0005034100000000, -0.0000203900000000, 0.0012638000000000 ] - [ -0.0001945300000000, -0.0002237800000000, -0.0001419200000000 ] - [ -0.0001727500000000, -0.0001324600000000, -0.0000872700000000 ] - [ 0.0000931900000000, 0.0001509400000000, -0.0001606700000000 ] - [ -0.0372190600000000, -0.0241911800000000, 0.0475157100000000 ] - [ -0.0000955600000000, 0.0002064000000000, -0.0002358000000000 ] - [ -0.0000409400000000, 0.0005111700000000, 0.0004161900000000 ] - [ 0.0027176900000000, 0.0000846600000000, 0.0062498900000000 ] - [ 0.0001101100000000, -0.0000989800000000, 0.0000753300000000 ] - [ -0.0000621300000000, 0.0000145300000000, -0.0002504200000000 ] - [ -0.0000714400000000, -0.0003358100000000, 0.0002386500000000 ] - [ 0.0001594300000000, 0.0001636500000000, 0.0001034200000000 ] - [ -0.0000857800000000, -0.0001435600000000, 0.0002049000000000 ] - [ 0.0000266000000000, -0.0004717100000000, -0.0000083300000000 ] - [ 0.0000338000000000, -0.0001192000000000, 0.0001319600000000 ] - [ -0.0002493400000000, 0.0003546900000000, -0.0003939000000000 ] - [ 0.0010037700000000, -0.0043662300000000, 0.0084220800000000 ] - [ 0.0000448300000000, -0.0000483100000000, -0.0000815200000000 ] - [ -0.0001493500000000, 0.0001768700000000, -0.0003913200000000 ] - [ 0.0001692600000000, 0.0003290500000000, 0.0001645400000000 ] - [ 0.0001046800000000, 0.0001352400000000, -0.0001321100000000 ] - [ 0.0000571900000000, 0.0001970700000000, 0.0000368600000000 ] - [ -0.0015136000000000, 0.0002700500000000, 0.0012299500000000 ] - [ 0.0002214400000000, 0.0003937100000000, -0.0001511000000000 ] - [ 0.0003239900000000, -0.0000809400000000, 0.0000786400000000 ] - [ -0.0000580200000000, -0.0003149100000000, -0.0001839900000000 ] - [ 0.0001201600000000, -0.0000820700000000, 0.0002586900000000 ] - [ 0.0098153000000000, 0.0263390100000000, 0.0424629100000000 ] - [ -0.0001623600000000, 0.0002976400000000, 0.0001371900000000 ] - [ -0.0002417000000000, 0.0014163700000000, 0.0011862400000000 ] - [ -0.0000278100000000, 0.0000560800000000, -0.0000917100000000 ] - [ 0.0002872100000000, -0.0003328000000000, 0.0003911300000000 ] - [ -0.0000906300000000, -0.0002037200000000, -0.0000521100000000 ] - [ 0.0004708400000000, -0.0001049100000000, -0.0000695200000000 ] - [ 0.0000356500000000, -0.0000191900000000, 0.0002720600000000 ] - [ 0.0000957900000000, 0.0003024100000000, 0.0000710600000000 ] - [ -0.0002484200000000, 0.0000376300000000, -0.0003288000000000 ]- atom: 8 displacement: [ 0.0027030911372206, 0.0000000000000000, -0.0096277358866911 ] forces: - [ 0.0001967400000000, 0.0001885900000000, 0.0001945500000000 ] - [ 0.0001314800000000, 0.0001404800000000, 0.0001183200000000 ] - [ -0.0007431900000000, 0.0002416600000000, 0.0023815900000000 ] - [ -0.0000254700000000, 0.0004061400000000, -0.0001763200000000 ] - [ -0.0009526800000000, 0.0004955400000000, -0.0011728800000000 ] - [ -0.0000546800000000, 0.0002812300000000, -0.0000478200000000 ] - [ -0.0000388100000000, 0.0002098000000000, -0.0000070300000000 ] - [ -0.0406778200000000, 0.0040982100000000, 0.1058563900000000 ] - [ -0.0001495000000000, 0.0000696000000000, -0.0000492500000000 ] - [ -0.0003265900000000, 0.0005359800000000, 0.0002163900000000 ] - [ -0.0001139900000000, -0.0000924800000000, -0.0000790100000000 ] - [ 0.0001961200000000, -0.0001989100000000, -0.0000983000000000 ] - [ -0.0000160300000000, 0.0001235700000000, -0.0001658000000000 ] - [ 0.0001800500000000, -0.0002193800000000, 0.0004551400000000 ] - [ 0.0001314600000000, 0.0003073100000000, 0.0000942800000000 ] - [ 0.0000080400000000, -0.0000818400000000, 0.0000081300000000 ] - [ -0.0000602800000000, 0.0002464900000000, -0.0001436300000000 ] - [ 0.0009102100000000, -0.0004949800000000, 0.0007306600000000 ] - [ 0.0000127100000000, -0.0000002500000000, -0.0000358500000000 ] - [ -0.0000239100000000, -0.0000101000000000, 0.0000080300000000 ] - [ 0.0000381300000000, 0.0001721900000000, 0.0000289600000000 ] - [ 0.0000325300000000, 0.0001070700000000, -0.0000555900000000 ] - [ 0.0001103100000000, -0.0011639000000000, -0.0028615500000000 ] - [ 0.0000583800000000, -0.0007584200000000, 0.0004204900000000 ] - [ -0.0024137500000000, -0.0006993100000000, 0.0073070700000000 ] - [ 0.0016763900000000, 0.0003242900000000, -0.0035305500000000 ] - [ -0.0001528800000000, -0.0000806200000000, 0.0002541100000000 ] - [ 0.0023068100000000, 0.0026103400000000, 0.0073367400000000 ] - [ -0.0001558300000000, -0.0002624500000000, -0.0002155900000000 ] - [ -0.0000753000000000, 0.0000027900000000, 0.0000751500000000 ] - [ -0.0002419100000000, 0.0001184900000000, 0.0001654800000000 ] - [ -0.0016947200000000, 0.0019675800000000, -0.0029856300000000 ] - [ -0.0001265500000000, -0.0002633300000000, 0.0000517500000000 ] - [ 0.0001210900000000, 0.0001606500000000, -0.0001654000000000 ] - [ 0.0000413900000000, 0.0002610400000000, -0.0000814200000000 ] - [ -0.0001994800000000, 0.0001081300000000, -0.0001151600000000 ] - [ 0.0035021200000000, 0.0014907600000000, -0.0002674600000000 ] - [ 0.0000710700000000, 0.0005428100000000, 0.0000311300000000 ] - [ -0.0000285300000000, -0.0000295700000000, 0.0001071700000000 ] - [ 0.0001142400000000, 0.0001302600000000, -0.0001089300000000 ] - [ 0.0006713800000000, -0.0005173000000000, 0.0008514300000000 ] - [ -0.0000378900000000, 0.0001482200000000, -0.0001300100000000 ] - [ 0.0000601800000000, -0.0012912000000000, 0.0006077000000000 ] - [ 0.0132958800000000, -0.0096294500000000, -0.0040720800000000 ] - [ 0.0000948400000000, -0.0001051100000000, 0.0001474000000000 ] - [ -0.0001385000000000, -0.0001917600000000, -0.0000509800000000 ] - [ -0.0000106800000000, 0.0000469200000000, 0.0001063400000000 ] - [ -0.0002078600000000, -0.0002377600000000, -0.0010216000000000 ] - [ -0.0001575900000000, -0.0004414000000000, -0.0002000400000000 ] - [ -0.0001259000000000, -0.0001259900000000, -0.0001496800000000 ] - [ 0.0000917200000000, 0.0001304600000000, -0.0001228300000000 ] - [ 0.0389214700000000, 0.0248799100000000, -0.0488347100000000 ] - [ -0.0001179400000000, 0.0001944300000000, -0.0002537800000000 ] - [ -0.0003112000000000, 0.0001495800000000, -0.0007615900000000 ] - [ -0.0027644100000000, -0.0001660300000000, -0.0064234600000000 ] - [ 0.0000422200000000, -0.0000689500000000, 0.0000843300000000 ] - [ -0.0000589700000000, -0.0000187100000000, -0.0002234600000000 ] - [ -0.0001116300000000, 0.0000527600000000, 0.0000475400000000 ] - [ 0.0001853300000000, 0.0001791000000000, 0.0000962600000000 ] - [ -0.0001438000000000, -0.0001732800000000, 0.0001376400000000 ] - [ -0.0004991800000000, -0.0003274400000000, 0.0003361500000000 ] - [ -0.0002673400000000, 0.0004399900000000, 0.0002134800000000 ] - [ -0.0000091700000000, 0.0002567500000000, 0.0001898500000000 ] - [ -0.0008195700000000, 0.0040963200000000, -0.0083792800000000 ] - [ -0.0000475700000000, -0.0000392400000000, -0.0001395300000000 ] - [ -0.0000003700000000, -0.0000156800000000, 0.0002308000000000 ] - [ 0.0001809500000000, 0.0003377600000000, 0.0001762600000000 ] - [ 0.0001322600000000, 0.0001300500000000, -0.0000918200000000 ] - [ 0.0000444000000000, 0.0001936700000000, 0.0000396200000000 ] - [ 0.0015207800000000, -0.0003556700000000, -0.0010221300000000 ] - [ 0.0002545400000000, 0.0004092000000000, -0.0001801600000000 ] - [ -0.0005362300000000, 0.0003157800000000, 0.0001206800000000 ] - [ 0.0001694100000000, -0.0002482400000000, 0.0002367600000000 ] - [ 0.0000025100000000, 0.0000836700000000, 0.0002162500000000 ] - [ -0.0102714200000000, -0.0272897600000000, -0.0436256300000000 ] - [ 0.0000612000000000, 0.0000930700000000, -0.0002157200000000 ] - [ 0.0001145600000000, -0.0019704500000000, -0.0012786000000000 ] - [ -0.0001807900000000, -0.0002917800000000, 0.0002910200000000 ] - [ -0.0003633100000000, 0.0000164300000000, -0.0006502000000000 ] - [ -0.0000108200000000, -0.0001885200000000, -0.0000228000000000 ] - [ -0.0002333700000000, -0.0001466800000000, -0.0001548600000000 ] - [ 0.0000365900000000, 0.0002587400000000, 0.0000462700000000 ] - [ 0.0001181600000000, 0.0000985700000000, 0.0004216000000000 ] - [ -0.0001402500000000, 0.0003435800000000, -0.0000708400000000 ]- atom: 9 displacement: [ 0.0099998398488412, 0.0000000000000000, -0.0000565950309369 ] forces: - [ -0.0002923600000000, 0.0003172500000000, 0.0000665500000000 ] - [ 0.0000989900000000, 0.0001240200000000, 0.0003096300000000 ] - [ -0.0001309100000000, -0.0002955300000000, -0.0000621100000000 ] - [ 0.0006666500000000, -0.0009719100000000, 0.0045621500000000 ] - [ 0.0000263600000000, -0.0000805300000000, 0.0004843100000000 ] - [ 0.0001566800000000, -0.0005877700000000, -0.0003072500000000 ] - [ 0.0001988600000000, -0.0006586100000000, -0.0006085200000000 ] - [ 0.0001385300000000, -0.0002386200000000, 0.0001937400000000 ] - [ -0.1338561200000000, 0.0082317100000000, 0.0054287100000000 ] - [ 0.0057793500000000, 0.0070534000000000, 0.0019400000000000 ] - [ -0.0006719200000000, 0.0000058700000000, -0.0008192800000000 ] - [ -0.0000309600000000, -0.0001284400000000, -0.0000233700000000 ] - [ 0.0002559400000000, 0.0003154400000000, -0.0000775500000000 ] - [ 0.0001285000000000, -0.0001934900000000, 0.0002226800000000 ] - [ 0.0001689500000000, 0.0004409200000000, 0.0007379900000000 ] - [ 0.0736714900000000, 0.0247630200000000, -0.0165648600000000 ] - [ -0.0003407100000000, 0.0003524300000000, 0.0001253900000000 ] - [ 0.0001530800000000, -0.0004949200000000, -0.0001012700000000 ] - [ 0.0000676100000000, 0.0000797000000000, -0.0001941800000000 ] - [ -0.0000520100000000, 0.0000220500000000, -0.0000309300000000 ] - [ -0.0000921800000000, 0.0000460900000000, 0.0000435800000000 ] - [ -0.0000848400000000, 0.0001800200000000, 0.0000117300000000 ] - [ 0.0001476900000000, -0.0001621800000000, 0.0000934200000000 ] - [ 0.0001379000000000, 0.0002716600000000, -0.0005585100000000 ] - [ -0.0000411000000000, -0.0000745400000000, -0.0002397000000000 ] - [ 0.0000484900000000, -0.0000913600000000, -0.0000878800000000 ] - [ 0.0000401300000000, -0.0001057200000000, 0.0001420600000000 ] - [ 0.0002070400000000, -0.0004441900000000, 0.0002962500000000 ] - [ -0.0001753300000000, -0.0002037000000000, -0.0002121100000000 ] - [ -0.0001167800000000, -0.0001693900000000, 0.0001028200000000 ] - [ 0.0040273600000000, -0.0003663900000000, -0.0077708100000000 ] - [ -0.0000817800000000, 0.0001052500000000, 0.0003145000000000 ] - [ -0.0001527400000000, -0.0003094800000000, -0.0000878500000000 ] - [ 0.0000008100000000, -0.0001221200000000, -0.0000598200000000 ] - [ -0.0034549900000000, -0.0036048100000000, -0.0015932400000000 ] - [ -0.0002665400000000, 0.0010314200000000, 0.0003302400000000 ] - [ 0.0005687300000000, -0.0005584200000000, -0.0006447900000000 ] - [ -0.0000061100000000, 0.0000524400000000, 0.0003046700000000 ] - [ -0.0000422300000000, -0.0001073600000000, 0.0000133800000000 ] - [ 0.0002384400000000, 0.0001321200000000, -0.0000937000000000 ] - [ 0.0000699800000000, -0.0001883500000000, 0.0002744000000000 ] - [ 0.0000517700000000, 0.0001371000000000, -0.0003405400000000 ] - [ 0.0001300600000000, 0.0000841500000000, -0.0000085900000000 ] - [ 0.0002130000000000, -0.0000462800000000, -0.0002178400000000 ] - [ 0.0000358400000000, -0.0001542900000000, 0.0001102200000000 ] - [ -0.0002142100000000, -0.0002179500000000, -0.0000011700000000 ] - [ 0.0000471600000000, -0.0000827600000000, 0.0001323700000000 ] - [ 0.0001025300000000, -0.0001990400000000, 0.0001249900000000 ] - [ -0.0001707800000000, -0.0003293600000000, -0.0001856900000000 ] - [ -0.0001515000000000, -0.0001640900000000, -0.0001680100000000 ] - [ -0.0000604100000000, -0.0000107700000000, -0.0000951100000000 ] - [ 0.0002028300000000, -0.0002082200000000, -0.0001150000000000 ] - [ -0.0000555000000000, 0.0005980000000000, 0.0000154900000000 ] - [ -0.0003133600000000, 0.0006427800000000, 0.0001523700000000 ] - [ 0.0007633900000000, 0.0001477000000000, 0.0007437300000000 ] - [ -0.0009938800000000, -0.0028135000000000, -0.0011579000000000 ] - [ -0.0003639100000000, -0.0002313700000000, -0.0002418300000000 ] - [ -0.0000813800000000, -0.0001260200000000, 0.0001422600000000 ] - [ 0.0002605600000000, 0.0003558200000000, -0.0001813700000000 ] - [ -0.0000928800000000, -0.0001548200000000, 0.0001569300000000 ] - [ -0.0002705400000000, -0.0004016600000000, 0.0001777000000000 ] - [ 0.0069917800000000, -0.0005794800000000, -0.0036928300000000 ] - [ 0.0005921500000000, -0.0006196900000000, 0.0001056400000000 ] - [ 0.0001557100000000, 0.0000023000000000, 0.0000158800000000 ] - [ -0.0000230100000000, -0.0000360000000000, -0.0000458800000000 ] - [ -0.0000766600000000, 0.0000838400000000, -0.0001335900000000 ] - [ 0.0003622100000000, 0.0002393200000000, 0.0001822400000000 ] - [ 0.0004998700000000, -0.0003945500000000, 0.0000855600000000 ] - [ 0.0000526700000000, -0.0000117600000000, 0.0004638300000000 ] - [ -0.0002816500000000, 0.0001844400000000, -0.0002573000000000 ] - [ -0.0001737200000000, 0.0014978700000000, 0.0013531900000000 ] - [ 0.0007541000000000, 0.0005292100000000, -0.0003967200000000 ] - [ 0.0000479200000000, -0.0002924300000000, 0.0000241200000000 ] - [ 0.0000708900000000, 0.0000287800000000, 0.0002214700000000 ] - [ -0.0001128800000000, 0.0000323100000000, 0.0000153100000000 ] - [ -0.0002377100000000, -0.0001875000000000, -0.0003413300000000 ] - [ 0.0000372500000000, -0.0003467500000000, -0.0000902500000000 ] - [ -0.0001336500000000, -0.0001202300000000, 0.0001245900000000 ] - [ -0.0000483200000000, -0.0003327100000000, -0.0001205500000000 ] - [ -0.0000480000000000, -0.0002029700000000, -0.0000625000000000 ] - [ 0.0003201300000000, -0.0001507300000000, -0.0001200200000000 ] - [ 0.0009935400000000, -0.0012901400000000, -0.0008540900000000 ] - [ 0.0299356400000000, -0.0312321600000000, 0.0015584200000000 ] - [ 0.0141750100000000, 0.0030066500000000, 0.0170613500000000 ]- atom: 9 displacement: [ -0.0099998398488412, 0.0000000000000000, 0.0000565950309369 ] forces: - [ 0.0006783600000000, 0.0000590500000000, 0.0003566800000000 ] - [ 0.0002224300000000, 0.0001431700000000, -0.0000832900000000 ] - [ -0.0001104200000000, -0.0000916300000000, -0.0004336700000000 ] - [ -0.0006113600000000, 0.0012031400000000, -0.0043488700000000 ] - [ -0.0000604300000000, 0.0001036300000000, -0.0003917900000000 ] - [ -0.0002579800000000, 0.0011342300000000, 0.0002754400000000 ] - [ -0.0003727700000000, 0.0009325900000000, 0.0009086000000000 ] - [ 0.0001867400000000, -0.0004180400000000, 0.0001374000000000 ] - [ 0.1311994200000000, -0.0103064600000000, -0.0038997400000000 ] - [ -0.0061351700000000, -0.0061358500000000, -0.0015853700000000 ] - [ 0.0006533200000000, 0.0000577600000000, 0.0005724600000000 ] - [ -0.0000591200000000, -0.0001601600000000, -0.0000524900000000 ] - [ -0.0003380200000000, -0.0000982000000000, -0.0002522000000000 ] - [ 0.0001149100000000, -0.0001929700000000, 0.0002738100000000 ] - [ 0.0000838200000000, 0.0001359800000000, -0.0005412800000000 ] - [ -0.0706755700000000, -0.0237931000000000, 0.0153645300000000 ] - [ 0.0004648300000000, 0.0002155200000000, -0.0001286400000000 ] - [ 0.0003444000000000, -0.0003173000000000, -0.0002545300000000 ] - [ -0.0000314700000000, -0.0000529200000000, 0.0001044000000000 ] - [ 0.0000144600000000, -0.0000478100000000, 0.0001208000000000 ] - [ 0.0001813100000000, 0.0002417600000000, 0.0000319400000000 ] - [ 0.0001419600000000, 0.0000485400000000, -0.0000572000000000 ] - [ -0.0000565900000000, -0.0001286900000000, -0.0000184800000000 ] - [ 0.0000094000000000, -0.0002920400000000, 0.0010095100000000 ] - [ -0.0000434500000000, -0.0001398900000000, -0.0000936900000000 ] - [ 0.0001883200000000, -0.0002138800000000, -0.0002636200000000 ] - [ 0.0000439200000000, -0.0001083600000000, 0.0001916000000000 ] - [ 0.0000395700000000, -0.0001406300000000, -0.0000966900000000 ] - [ -0.0002069800000000, -0.0001732400000000, -0.0002175000000000 ] - [ -0.0001271100000000, -0.0001241200000000, 0.0001426400000000 ] - [ -0.0043462600000000, 0.0006411500000000, 0.0075841200000000 ] - [ 0.0001402800000000, -0.0003322100000000, -0.0003593200000000 ] - [ -0.0000939700000000, -0.0002720900000000, -0.0001090900000000 ] - [ 0.0002369500000000, 0.0004319700000000, -0.0002918400000000 ] - [ 0.0033236600000000, 0.0039115400000000, 0.0014889800000000 ] - [ -0.0001101300000000, -0.0006651900000000, -0.0004987600000000 ] - [ -0.0001966200000000, 0.0001906200000000, 0.0008102500000000 ] - [ -0.0000594200000000, 0.0001743800000000, -0.0002666200000000 ] - [ -0.0000177600000000, -0.0001228100000000, 0.0000307000000000 ] - [ -0.0000048700000000, 0.0001214000000000, -0.0001360400000000 ] - [ 0.0003102100000000, -0.0001847900000000, 0.0001501200000000 ] - [ -0.0001215500000000, 0.0001844000000000, 0.0001010300000000 ] - [ 0.0000059300000000, 0.0001023900000000, 0.0001380600000000 ] - [ 0.0000221000000000, -0.0002062300000000, -0.0000123400000000 ] - [ 0.0000367300000000, -0.0001682100000000, 0.0001269600000000 ] - [ -0.0001559000000000, -0.0001468600000000, -0.0001681800000000 ] - [ -0.0000378900000000, 0.0001576200000000, 0.0001260100000000 ] - [ 0.0002163700000000, -0.0000639500000000, 0.0001036600000000 ] - [ -0.0001535500000000, -0.0003276700000000, -0.0001440100000000 ] - [ -0.0001654900000000, -0.0001038400000000, -0.0000619300000000 ] - [ 0.0002315100000000, 0.0002934000000000, -0.0001968400000000 ] - [ -0.0000346300000000, -0.0000736100000000, -0.0001785600000000 ] - [ -0.0001872900000000, -0.0002119400000000, -0.0005085100000000 ] - [ -0.0000020200000000, 0.0000033000000000, -0.0004836200000000 ] - [ -0.0007071200000000, -0.0001728300000000, -0.0008388200000000 ] - [ 0.0011777100000000, 0.0025524400000000, 0.0012604200000000 ] - [ 0.0002298100000000, 0.0002154800000000, -0.0002215500000000 ] - [ -0.0000866700000000, -0.0001546600000000, 0.0001514700000000 ] - [ 0.0001089800000000, 0.0000088500000000, 0.0003498200000000 ] - [ -0.0001434000000000, -0.0001518000000000, 0.0001936000000000 ] - [ -0.0002281900000000, -0.0004088300000000, 0.0001785900000000 ] - [ -0.0073129000000000, 0.0009464900000000, 0.0040585600000000 ] - [ -0.0008722700000000, 0.0012032700000000, -0.0003063500000000 ] - [ -0.0000524100000000, -0.0004109000000000, 0.0000640800000000 ] - [ 0.0000123900000000, -0.0000389500000000, -0.0002107500000000 ] - [ -0.0000589000000000, 0.0001011800000000, 0.0000036000000000 ] - [ -0.0000368200000000, 0.0004198200000000, 0.0001483600000000 ] - [ -0.0002510800000000, 0.0006905800000000, -0.0003470800000000 ] - [ 0.0000516500000000, 0.0004097600000000, -0.0003676900000000 ] - [ 0.0002793100000000, -0.0002570600000000, 0.0005187200000000 ] - [ 0.0006748000000000, -0.0006625100000000, -0.0016590300000000 ] - [ -0.0010012200000000, -0.0003004200000000, 0.0006269900000000 ] - [ 0.0000562600000000, -0.0002761400000000, -0.0000015700000000 ] - [ 0.0000663500000000, -0.0000103500000000, 0.0002430300000000 ] - [ -0.0000217800000000, -0.0000142800000000, -0.0004807800000000 ] - [ 0.0001254800000000, 0.0005909300000000, 0.0002614200000000 ] - [ -0.0001416200000000, -0.0002211100000000, 0.0000676100000000 ] - [ -0.0000995200000000, -0.0001341600000000, 0.0001055100000000 ] - [ -0.0000267900000000, 0.0000060900000000, -0.0001182100000000 ] - [ -0.0000559400000000, -0.0002007700000000, -0.0000197100000000 ] - [ -0.0000753000000000, -0.0001443900000000, -0.0001255400000000 ] - [ -0.0009058600000000, 0.0014896800000000, 0.0011807300000000 ] - [ -0.0304453000000000, 0.0328780700000000, -0.0011547300000000 ] - [ -0.0145767700000000, -0.0026263500000000, -0.0175756500000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000839200000000, 0.0000907900000000, 0.0001816600000000 ] - [ 0.0000452100000000, 0.0002110300000000, 0.0001124400000000 ] - [ -0.0003347700000000, -0.0000297000000000, -0.0004318200000000 ] - [ -0.0018313000000000, 0.0059069700000000, 0.0045154800000000 ] - [ 0.0000520900000000, -0.0001320100000000, 0.0000513000000000 ] - [ -0.0001827400000000, 0.0001138900000000, -0.0000848000000000 ] - [ -0.0004408100000000, -0.0008966300000000, -0.0000452300000000 ] - [ 0.0001528100000000, -0.0002401600000000, 0.0002264100000000 ] - [ 0.0100721100000000, -0.1004412700000000, 0.0070843100000000 ] - [ 0.0096597600000000, 0.0061907800000000, 0.0009546200000000 ] - [ -0.0003822700000000, -0.0000667600000000, -0.0017176700000000 ] - [ -0.0000263500000000, -0.0001489300000000, -0.0000508100000000 ] - [ 0.0002194800000000, 0.0002893600000000, 0.0000596300000000 ] - [ 0.0001215600000000, -0.0001780800000000, 0.0002544600000000 ] - [ 0.0002140200000000, 0.0007123100000000, 0.0000182600000000 ] - [ 0.0088711600000000, 0.0170846800000000, -0.0021396800000000 ] - [ 0.0000501300000000, -0.0001843700000000, -0.0019255900000000 ] - [ 0.0000976900000000, -0.0005192600000000, -0.0001456700000000 ] - [ -0.0000380800000000, -0.0000623900000000, -0.0002412900000000 ] - [ 0.0000110000000000, -0.0000017400000000, 0.0000194600000000 ] - [ -0.0000803100000000, 0.0002174200000000, 0.0001887700000000 ] - [ -0.0000282800000000, 0.0001794800000000, -0.0000946500000000 ] - [ -0.0000785700000000, -0.0000864700000000, -0.0001873600000000 ] - [ -0.0000204500000000, -0.0006515900000000, 0.0011281300000000 ] - [ 0.0000289400000000, -0.0001343700000000, -0.0001361300000000 ] - [ 0.0001489800000000, -0.0003300900000000, -0.0001699900000000 ] - [ 0.0000458900000000, -0.0001143000000000, 0.0001424200000000 ] - [ 0.0000906100000000, -0.0002622300000000, -0.0002552100000000 ] - [ -0.0002170600000000, -0.0001743700000000, -0.0002190000000000 ] - [ -0.0001012300000000, -0.0001935000000000, 0.0001227700000000 ] - [ -0.0002798000000000, 0.0004012400000000, -0.0011884200000000 ] - [ 0.0000529300000000, 0.0000369400000000, 0.0002237400000000 ] - [ -0.0001310100000000, -0.0002843300000000, -0.0000589700000000 ] - [ 0.0001636000000000, -0.0003037500000000, -0.0003921300000000 ] - [ -0.0016795600000000, 0.0126023700000000, 0.0068422700000000 ] - [ 0.0014672400000000, 0.0007850700000000, -0.0007643600000000 ] - [ 0.0002227500000000, -0.0000430200000000, 0.0000141800000000 ] - [ -0.0004597600000000, 0.0004272500000000, -0.0000896300000000 ] - [ -0.0000207500000000, -0.0001232500000000, 0.0000338300000000 ] - [ 0.0001492800000000, 0.0002446500000000, -0.0000847300000000 ] - [ 0.0001780500000000, -0.0006687000000000, 0.0006783600000000 ] - [ 0.0000182700000000, 0.0000132700000000, -0.0000377400000000 ] - [ 0.0001871300000000, 0.0000080700000000, -0.0000366300000000 ] - [ 0.0000867000000000, -0.0001663700000000, -0.0001290200000000 ] - [ 0.0000475600000000, -0.0001665100000000, 0.0001023700000000 ] - [ -0.0002205000000000, -0.0001929300000000, -0.0000679700000000 ] - [ 0.0000980400000000, 0.0000104500000000, 0.0000036100000000 ] - [ 0.0001979500000000, -0.0001736400000000, 0.0001605500000000 ] - [ -0.0001735000000000, -0.0003268400000000, -0.0001708800000000 ] - [ -0.0001548500000000, -0.0001305900000000, -0.0001175900000000 ] - [ -0.0001554200000000, 0.0000120600000000, -0.0002773000000000 ] - [ 0.0000778700000000, -0.0000413100000000, -0.0001888700000000 ] - [ -0.0000426200000000, 0.0001642500000000, -0.0004165500000000 ] - [ 0.0002284800000000, -0.0005007200000000, -0.0000363600000000 ] - [ -0.0002586700000000, 0.0003758600000000, -0.0000503800000000 ] - [ -0.0001639800000000, -0.0007304000000000, -0.0022432700000000 ] - [ -0.0004227600000000, -0.0001002900000000, -0.0001303200000000 ] - [ -0.0000827800000000, -0.0001265200000000, 0.0001439800000000 ] - [ 0.0003037600000000, 0.0003010200000000, 0.0001277300000000 ] - [ -0.0001206900000000, -0.0001561400000000, 0.0001707800000000 ] - [ -0.0002889200000000, -0.0004126200000000, 0.0001602600000000 ] - [ 0.0011327100000000, -0.0029280700000000, 0.0001293000000000 ] - [ -0.0003755900000000, -0.0010258600000000, 0.0007098600000000 ] - [ 0.0002291800000000, -0.0002350700000000, -0.0001028600000000 ] - [ -0.0000062400000000, -0.0000517400000000, -0.0001094500000000 ] - [ -0.0000649500000000, 0.0000925900000000, -0.0001121400000000 ] - [ 0.0002724900000000, 0.0004694900000000, 0.0003393900000000 ] - [ 0.0006703200000000, 0.0000215400000000, 0.0002084900000000 ] - [ 0.0000654600000000, 0.0002433600000000, 0.0001281900000000 ] - [ -0.0001832800000000, -0.0002252500000000, -0.0000179900000000 ] - [ 0.0004339500000000, 0.0010435400000000, -0.0004035000000000 ] - [ 0.0003495300000000, 0.0004284300000000, 0.0002123900000000 ] - [ 0.0000571500000000, -0.0002731100000000, 0.0000050300000000 ] - [ 0.0000489400000000, 0.0000083900000000, 0.0002124000000000 ] - [ 0.0001055600000000, 0.0000792000000000, -0.0002189200000000 ] - [ -0.0002242000000000, 0.0000353500000000, -0.0003517100000000 ] - [ 0.0002890500000000, -0.0002372200000000, -0.0000322000000000 ] - [ -0.0001320900000000, -0.0001252700000000, 0.0000953300000000 ] - [ 0.0000385300000000, 0.0005504500000000, -0.0004112700000000 ] - [ -0.0000678900000000, -0.0001772800000000, -0.0000641700000000 ] - [ 0.0001239800000000, 0.0005108700000000, 0.0003735500000000 ] - [ -0.0001850300000000, -0.0013501700000000, 0.0008025800000000 ] - [ -0.0285401700000000, 0.0583167600000000, -0.0032507900000000 ] - [ 0.0011032100000000, 0.0079460100000000, -0.0075372700000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004702600000000, 0.0002898400000000, 0.0002351600000000 ] - [ 0.0002621600000000, 0.0000512200000000, 0.0001291000000000 ] - [ 0.0001056000000000, -0.0003648100000000, -0.0000626800000000 ] - [ 0.0018587400000000, -0.0055577600000000, -0.0042609000000000 ] - [ -0.0000820400000000, 0.0001505900000000, 0.0000378000000000 ] - [ 0.0000747300000000, 0.0004535900000000, 0.0000500300000000 ] - [ 0.0002508500000000, 0.0011779500000000, 0.0003325000000000 ] - [ 0.0001821000000000, -0.0004204500000000, 0.0001053000000000 ] - [ -0.0085705300000000, 0.0989216600000000, -0.0062242200000000 ] - [ -0.0100935500000000, -0.0053349600000000, -0.0006244800000000 ] - [ 0.0003727300000000, 0.0001593500000000, 0.0014728300000000 ] - [ -0.0000781100000000, -0.0001524500000000, -0.0000220700000000 ] - [ -0.0002955800000000, -0.0000628200000000, -0.0003849200000000 ] - [ 0.0001083600000000, -0.0002164600000000, 0.0002399300000000 ] - [ 0.0000416000000000, -0.0001236400000000, 0.0001844900000000 ] - [ -0.0090381000000000, -0.0174098500000000, 0.0019690600000000 ] - [ 0.0000709700000000, 0.0007460200000000, 0.0019445800000000 ] - [ 0.0003876500000000, -0.0002898100000000, -0.0002002500000000 ] - [ 0.0000713500000000, 0.0000844000000000, 0.0001553700000000 ] - [ -0.0000454300000000, -0.0000210200000000, 0.0000680600000000 ] - [ 0.0001845300000000, 0.0000847000000000, -0.0001149400000000 ] - [ 0.0000917400000000, 0.0000459000000000, 0.0000402400000000 ] - [ 0.0001830500000000, -0.0002157100000000, 0.0002595800000000 ] - [ 0.0001558300000000, 0.0006453200000000, -0.0006619900000000 ] - [ -0.0001063400000000, -0.0000902900000000, -0.0001913500000000 ] - [ 0.0000813900000000, 0.0000185600000000, -0.0001742200000000 ] - [ 0.0000308400000000, -0.0001108100000000, 0.0001851900000000 ] - [ 0.0001624300000000, -0.0003318400000000, 0.0004513600000000 ] - [ -0.0001706400000000, -0.0002066900000000, -0.0001994900000000 ] - [ -0.0001412600000000, -0.0000855700000000, 0.0001134700000000 ] - [ -0.0000075000000000, -0.0001049600000000, 0.0009781300000000 ] - [ 0.0000108300000000, -0.0002640500000000, -0.0002807100000000 ] - [ -0.0001205800000000, -0.0003087100000000, -0.0001400300000000 ] - [ 0.0000710900000000, 0.0006136600000000, 0.0000456400000000 ] - [ 0.0015429700000000, -0.0120855900000000, -0.0068053500000000 ] - [ -0.0018174700000000, -0.0004140800000000, 0.0006017000000000 ] - [ 0.0001345900000000, -0.0003108700000000, 0.0001686000000000 ] - [ 0.0003977800000000, -0.0002024200000000, 0.0001426500000000 ] - [ -0.0000424600000000, -0.0001040300000000, 0.0000209200000000 ] - [ 0.0000737100000000, 0.0000051000000000, -0.0001368500000000 ] - [ 0.0002083300000000, 0.0002880700000000, -0.0002593200000000 ] - [ -0.0000911200000000, 0.0003025700000000, -0.0002048000000000 ] - [ -0.0000389200000000, 0.0001667700000000, 0.0001800200000000 ] - [ 0.0001374300000000, -0.0000854100000000, -0.0000937800000000 ] - [ 0.0000262200000000, -0.0001514600000000, 0.0001409200000000 ] - [ -0.0001414600000000, -0.0001624600000000, -0.0001106400000000 ] - [ -0.0000912300000000, 0.0000692800000000, 0.0002362300000000 ] - [ 0.0001046600000000, -0.0000851900000000, 0.0000793100000000 ] - [ -0.0001607200000000, -0.0003337300000000, -0.0001615700000000 ] - [ -0.0001515300000000, -0.0001316000000000, -0.0001223200000000 ] - [ 0.0003319400000000, 0.0002657700000000, -0.0000090600000000 ] - [ 0.0000946300000000, -0.0002380800000000, -0.0001002400000000 ] - [ -0.0001852300000000, 0.0002250100000000, -0.0000808100000000 ] - [ -0.0005607100000000, 0.0011612000000000, -0.0003014900000000 ] - [ 0.0002837800000000, -0.0003966100000000, -0.0000399900000000 ] - [ 0.0003066400000000, 0.0005650500000000, 0.0023710800000000 ] - [ 0.0002871600000000, 0.0000885400000000, -0.0003336900000000 ] - [ -0.0000901800000000, -0.0001517900000000, 0.0001420300000000 ] - [ 0.0000596500000000, 0.0000569700000000, 0.0000476700000000 ] - [ -0.0001094400000000, -0.0001539300000000, 0.0001733400000000 ] - [ -0.0001969100000000, -0.0003969800000000, 0.0001853100000000 ] - [ -0.0013647400000000, 0.0032385000000000, 0.0002377100000000 ] - [ 0.0001242600000000, 0.0016230700000000, -0.0009204600000000 ] - [ -0.0001219500000000, -0.0001625100000000, 0.0001837800000000 ] - [ -0.0000030600000000, -0.0000297200000000, -0.0001343400000000 ] - [ -0.0000817500000000, 0.0000817800000000, -0.0000309300000000 ] - [ 0.0000598800000000, 0.0001920000000000, -0.0000078800000000 ] - [ -0.0004238700000000, 0.0002644700000000, -0.0004358800000000 ] - [ 0.0000361500000000, 0.0001541800000000, -0.0000433800000000 ] - [ 0.0001895100000000, 0.0001483400000000, 0.0002662500000000 ] - [ 0.0000570500000000, -0.0002393900000000, 0.0000539200000000 ] - [ -0.0005902400000000, -0.0001980800000000, -0.0000035400000000 ] - [ 0.0000501700000000, -0.0002914000000000, 0.0000312500000000 ] - [ 0.0000848300000000, 0.0000083000000000, 0.0002530700000000 ] - [ -0.0002332100000000, -0.0000638000000000, -0.0002476000000000 ] - [ 0.0001191000000000, 0.0003571200000000, 0.0002720200000000 ] - [ -0.0003944500000000, -0.0003254400000000, -0.0000030000000000 ] - [ -0.0000924200000000, -0.0001252100000000, 0.0001268300000000 ] - [ -0.0001107100000000, -0.0008678400000000, 0.0001643900000000 ] - [ -0.0000338100000000, -0.0002186700000000, -0.0000221400000000 ] - [ 0.0001198600000000, -0.0007868900000000, -0.0006058800000000 ] - [ 0.0002671100000000, 0.0015879500000000, -0.0004777900000000 ] - [ 0.0271601200000000, -0.0562484700000000, 0.0034853700000000 ] - [ -0.0016091400000000, -0.0076584800000000, 0.0066727800000000 ]- atom: 9 displacement: [ -0.0027030911372206, 0.0000000000000000, 0.0096277358866911 ] forces: - [ -0.0006094300000000, 0.0004474600000000, -0.0001341500000000 ] - [ -0.0000533100000000, 0.0000325800000000, 0.0006116800000000 ] - [ -0.0002824400000000, -0.0000734800000000, -0.0004480200000000 ] - [ 0.0014543800000000, 0.0100927000000000, 0.0062141500000000 ] - [ -0.0003307300000000, 0.0000140600000000, -0.0000309200000000 ] - [ -0.0001128900000000, 0.0006342100000000, -0.0000233200000000 ] - [ -0.0002363900000000, 0.0007421800000000, 0.0003306100000000 ] - [ 0.0002105600000000, -0.0003367300000000, 0.0003284500000000 ] - [ 0.0385829800000000, 0.0038694700000000, -0.1201723000000000 ] - [ -0.0032396000000000, -0.0030207000000000, -0.0027965600000000 ] - [ 0.0002017400000000, -0.0006418200000000, -0.0000350500000000 ] - [ -0.0000677300000000, -0.0001620000000000, -0.0000370800000000 ] - [ -0.0000923600000000, 0.0001252300000000, -0.0001221700000000 ] - [ 0.0000852100000000, -0.0002006300000000, 0.0002522700000000 ] - [ 0.0004538800000000, 0.0003641300000000, 0.0009789500000000 ] - [ -0.0306852600000000, -0.0149346100000000, 0.0178427300000000 ] - [ -0.0008332500000000, 0.0004883300000000, 0.0003164000000000 ] - [ 0.0001574400000000, -0.0004804400000000, -0.0001372500000000 ] - [ 0.0000589800000000, 0.0001150400000000, 0.0002417700000000 ] - [ -0.0001446900000000, 0.0000008900000000, 0.0000260900000000 ] - [ 0.0000648500000000, 0.0002163600000000, 0.0000097700000000 ] - [ 0.0000671000000000, -0.0000829800000000, -0.0000473700000000 ] - [ 0.0000534700000000, -0.0001117400000000, -0.0001113900000000 ] - [ 0.0000561000000000, -0.0001150400000000, 0.0002857400000000 ] - [ 0.0000150900000000, -0.0001332300000000, -0.0000805500000000 ] - [ 0.0002238600000000, -0.0003273200000000, -0.0001094800000000 ] - [ 0.0000273600000000, -0.0001348100000000, 0.0001556600000000 ] - [ -0.0000646000000000, -0.0002633600000000, 0.0000019300000000 ] - [ -0.0002191900000000, -0.0001766500000000, -0.0001888000000000 ] - [ -0.0001302200000000, -0.0001217800000000, 0.0001043600000000 ] - [ -0.0059514500000000, -0.0013970600000000, 0.0047000000000000 ] - [ 0.0000908600000000, -0.0000051300000000, 0.0000352800000000 ] - [ -0.0001351800000000, -0.0003374600000000, -0.0001184900000000 ] - [ 0.0002114800000000, 0.0002421200000000, 0.0000402300000000 ] - [ 0.0021175200000000, 0.0029942200000000, 0.0048730100000000 ] - [ 0.0005610600000000, 0.0000479100000000, -0.0005882600000000 ] - [ 0.0002241500000000, -0.0000824100000000, 0.0000156900000000 ] - [ 0.0001048500000000, -0.0001873400000000, -0.0002729700000000 ] - [ -0.0000093500000000, -0.0000731200000000, 0.0000143100000000 ] - [ 0.0000701900000000, 0.0001596400000000, -0.0002523000000000 ] - [ 0.0001351200000000, -0.0006213900000000, 0.0006114700000000 ] - [ -0.0000384000000000, 0.0002497900000000, -0.0002112400000000 ] - [ 0.0000962200000000, 0.0000584800000000, 0.0000683700000000 ] - [ 0.0001011000000000, -0.0000658400000000, -0.0001228000000000 ] - [ 0.0000181900000000, -0.0001610700000000, 0.0001664100000000 ] - [ -0.0002139600000000, -0.0001853000000000, -0.0000305500000000 ] - [ -0.0001007500000000, -0.0001334700000000, 0.0000837100000000 ] - [ 0.0002981600000000, -0.0002220700000000, 0.0002911700000000 ] - [ -0.0001857600000000, -0.0003367800000000, -0.0001849700000000 ] - [ -0.0001756600000000, -0.0001691800000000, -0.0000768900000000 ] - [ 0.0000764400000000, 0.0001361600000000, -0.0001331800000000 ] - [ -0.0000224700000000, -0.0000533200000000, -0.0001849000000000 ] - [ 0.0000173100000000, 0.0002019800000000, -0.0003085000000000 ] - [ -0.0001979500000000, 0.0001476200000000, -0.0002244200000000 ] - [ 0.0005522700000000, -0.0001776500000000, 0.0000551900000000 ] - [ -0.0068914300000000, 0.0007030400000000, 0.0038956700000000 ] - [ -0.0000053900000000, -0.0000312500000000, -0.0005156900000000 ] - [ -0.0000828200000000, -0.0001369000000000, 0.0001311700000000 ] - [ 0.0001197500000000, 0.0002256500000000, -0.0000315600000000 ] - [ -0.0001191300000000, -0.0001657400000000, 0.0001636600000000 ] - [ -0.0002413500000000, -0.0004051700000000, 0.0001323800000000 ] - [ -0.0064836600000000, 0.0019511100000000, 0.0037680400000000 ] - [ 0.0002558600000000, 0.0003896500000000, -0.0009764100000000 ] - [ 0.0000860200000000, -0.0000915900000000, -0.0000441300000000 ] - [ 0.0000552400000000, -0.0000649400000000, -0.0000668200000000 ] - [ -0.0000449700000000, 0.0000938400000000, -0.0000580100000000 ] - [ 0.0002497600000000, 0.0003732600000000, 0.0002348800000000 ] - [ 0.0002425600000000, -0.0000519100000000, 0.0032007100000000 ] - [ 0.0000200400000000, 0.0002544800000000, -0.0002468600000000 ] - [ 0.0000602300000000, -0.0002529800000000, 0.0000784100000000 ] - [ 0.0004139700000000, -0.0003208700000000, -0.0005484200000000 ] - [ -0.0008930600000000, 0.0003702600000000, 0.0006371700000000 ] - [ 0.0000606200000000, -0.0002833800000000, 0.0000721900000000 ] - [ 0.0000789600000000, 0.0000273900000000, 0.0002225600000000 ] - [ -0.0001926100000000, 0.0000438800000000, -0.0002759600000000 ] - [ -0.0005914400000000, 0.0002565100000000, 0.0001561400000000 ] - [ 0.0001130500000000, -0.0001624800000000, -0.0000194800000000 ] - [ -0.0001265600000000, -0.0001057000000000, 0.0001058400000000 ] - [ 0.0001662100000000, 0.0002466200000000, -0.0003096100000000 ] - [ -0.0000289300000000, -0.0001756700000000, -0.0000500900000000 ] - [ 0.0000599000000000, 0.0003499000000000, 0.0001357700000000 ] - [ 0.0007515600000000, 0.0004831500000000, 0.0001150500000000 ] - [ -0.0000356900000000, -0.0043442400000000, 0.0066958100000000 ] - [ 0.0107484400000000, 0.0049694600000000, 0.0719260600000000 ]- atom: 9 displacement: [ 0.0027030911372206, 0.0000000000000000, -0.0096277358866911 ] forces: - [ 0.0010130800000000, -0.0000730100000000, 0.0005334300000000 ] - [ 0.0003604800000000, 0.0002281600000000, -0.0003950100000000 ] - [ 0.0000626800000000, -0.0003188500000000, -0.0000485900000000 ] - [ -0.0013323400000000, -0.0096772600000000, -0.0058068900000000 ] - [ 0.0002984600000000, 0.0000050800000000, 0.0001417300000000 ] - [ 0.0000045700000000, -0.0000663400000000, -0.0000215200000000 ] - [ 0.0000579300000000, -0.0004549800000000, -0.0000384400000000 ] - [ 0.0001357700000000, -0.0003288500000000, 0.0000097900000000 ] - [ -0.0406762900000000, -0.0038823000000000, 0.1169157500000000 ] - [ 0.0027838700000000, 0.0038123400000000, 0.0031343600000000 ] - [ -0.0002150300000000, 0.0007046000000000, -0.0001966300000000 ] - [ -0.0000457800000000, -0.0001475100000000, -0.0000334200000000 ] - [ 0.0000176800000000, 0.0001050000000000, -0.0002006900000000 ] - [ 0.0001339600000000, -0.0001922200000000, 0.0002441500000000 ] - [ -0.0002089500000000, 0.0002369900000000, -0.0007934400000000 ] - [ 0.0314648600000000, 0.0150621200000000, -0.0180085700000000 ] - [ 0.0009358300000000, 0.0000759400000000, -0.0002534800000000 ] - [ 0.0003262700000000, -0.0003213900000000, -0.0002016100000000 ] - [ -0.0000280700000000, -0.0000938800000000, -0.0003544700000000 ] - [ 0.0001094000000000, -0.0000268600000000, 0.0000804600000000 ] - [ 0.0000480300000000, 0.0000946900000000, 0.0000585200000000 ] - [ -0.0000014900000000, 0.0003082800000000, -0.0000225800000000 ] - [ 0.0000597300000000, -0.0001994100000000, 0.0001766100000000 ] - [ 0.0000562000000000, 0.0001126600000000, 0.0001587200000000 ] - [ -0.0000905300000000, -0.0000996300000000, -0.0002451500000000 ] - [ 0.0000122900000000, 0.0000077800000000, -0.0002354500000000 ] - [ 0.0000501300000000, -0.0000986300000000, 0.0001708700000000 ] - [ 0.0003162100000000, -0.0003452200000000, 0.0001980400000000 ] - [ -0.0001717400000000, -0.0001998800000000, -0.0002132300000000 ] - [ -0.0001030200000000, -0.0001517200000000, 0.0001262300000000 ] - [ 0.0055759300000000, 0.0016482200000000, -0.0048478400000000 ] - [ -0.0000297800000000, -0.0002153100000000, -0.0001048900000000 ] - [ -0.0001203800000000, -0.0002684000000000, -0.0000822600000000 ] - [ 0.0000190600000000, 0.0000743100000000, -0.0003883200000000 ] - [ -0.0022346400000000, -0.0027373600000000, -0.0049610600000000 ] - [ -0.0008906300000000, 0.0003056400000000, 0.0003994400000000 ] - [ 0.0001343800000000, -0.0002670300000000, 0.0001703600000000 ] - [ -0.0001698600000000, 0.0004120900000000, 0.0003430500000000 ] - [ -0.0000542600000000, -0.0001492900000000, 0.0000560000000000 ] - [ 0.0001445400000000, 0.0000814600000000, 0.0000443700000000 ] - [ 0.0002535100000000, 0.0002485300000000, -0.0002060500000000 ] - [ -0.0000351600000000, 0.0000623900000000, -0.0000543900000000 ] - [ 0.0000482000000000, 0.0001219000000000, 0.0000843500000000 ] - [ 0.0001146800000000, -0.0001752600000000, -0.0000884000000000 ] - [ 0.0000559700000000, -0.0001528800000000, 0.0000977300000000 ] - [ -0.0001402300000000, -0.0001612900000000, -0.0001593900000000 ] - [ 0.0001081200000000, 0.0002222300000000, 0.0001448800000000 ] - [ 0.0000037900000000, -0.0000314300000000, -0.0000643600000000 ] - [ -0.0001604100000000, -0.0003291000000000, -0.0001507300000000 ] - [ -0.0001293700000000, -0.0000896400000000, -0.0001495100000000 ] - [ 0.0001049600000000, 0.0001471200000000, -0.0001554200000000 ] - [ 0.0002034800000000, -0.0002326100000000, -0.0001059100000000 ] - [ -0.0002417700000000, 0.0001961900000000, -0.0001810300000000 ] - [ -0.0001526300000000, 0.0005186800000000, -0.0001039600000000 ] - [ -0.0004975000000000, 0.0001528400000000, -0.0001620400000000 ] - [ 0.0071117000000000, -0.0008281700000000, -0.0037799100000000 ] - [ -0.0001120000000000, 0.0000290600000000, 0.0000503700000000 ] - [ -0.0000976300000000, -0.0001480700000000, 0.0001558000000000 ] - [ 0.0002326100000000, 0.0001194500000000, 0.0002230500000000 ] - [ -0.0001153900000000, -0.0001495500000000, 0.0001830600000000 ] - [ -0.0002436200000000, -0.0003942200000000, 0.0002052700000000 ] - [ 0.0061979900000000, -0.0015916300000000, -0.0034100500000000 ] - [ -0.0005148000000000, 0.0002164000000000, 0.0007851900000000 ] - [ 0.0000219100000000, -0.0003070000000000, 0.0001080500000000 ] - [ -0.0000588700000000, -0.0000212300000000, -0.0001602200000000 ] - [ -0.0000974100000000, 0.0000860500000000, -0.0000946600000000 ] - [ 0.0000970900000000, 0.0002926500000000, 0.0000976500000000 ] - [ 0.0000054900000000, 0.0002992700000000, -0.0034819500000000 ] - [ 0.0000811200000000, 0.0001426500000000, 0.0003142400000000 ] - [ -0.0000671300000000, 0.0001633600000000, 0.0001473700000000 ] - [ 0.0000575900000000, 0.0011229900000000, 0.0001984600000000 ] - [ 0.0006730100000000, -0.0001180300000000, -0.0004275300000000 ] - [ 0.0000491600000000, -0.0002817600000000, -0.0000222600000000 ] - [ 0.0000433300000000, -0.0000231700000000, 0.0002508900000000 ] - [ 0.0000762900000000, -0.0000335400000000, -0.0002022700000000 ] - [ 0.0004856800000000, 0.0001336200000000, -0.0002279800000000 ] - [ -0.0002186800000000, -0.0003997300000000, -0.0000300400000000 ] - [ -0.0000884500000000, -0.0001364400000000, 0.0001052700000000 ] - [ -0.0002370200000000, -0.0005689000000000, 0.0000352400000000 ] - [ -0.0000708600000000, -0.0002199700000000, -0.0000207300000000 ] - [ 0.0001725900000000, -0.0006190800000000, -0.0003623300000000 ] - [ -0.0006788600000000, -0.0002567900000000, 0.0001999400000000 ] - [ 0.0003960700000000, 0.0045729800000000, -0.0061906000000000 ] - [ -0.0103851300000000, -0.0045389300000000, -0.0689034200000000 ]- atom: 10 displacement: [ 0.0099998398488412, 0.0000000000000000, -0.0000565950309369 ] forces: - [ 0.0004940000000000, 0.0004618000000000, 0.0003385700000000 ] - [ 0.0000927400000000, 0.0001347900000000, 0.0001391000000000 ] - [ -0.0000580700000000, -0.0001623600000000, -0.0002472100000000 ] - [ 0.0049804900000000, -0.0016452800000000, -0.0041441000000000 ] - [ -0.0001041900000000, 0.0002186200000000, 0.0000218800000000 ] - [ -0.0000205500000000, 0.0005845100000000, 0.0004258200000000 ] - [ -0.0030541900000000, 0.0018224200000000, 0.0007719300000000 ] - [ 0.0003820100000000, -0.0004813500000000, 0.0003221400000000 ] - [ 0.0057947800000000, 0.0099806600000000, -0.0013443500000000 ] - [ -0.0958840700000000, 0.0094607400000000, -0.0045191400000000 ] - [ 0.0001716500000000, -0.0002822200000000, -0.0000488500000000 ] - [ -0.0000591300000000, -0.0001628900000000, -0.0000241200000000 ] - [ -0.0008004900000000, -0.0011031900000000, -0.0003810800000000 ] - [ 0.0001096500000000, -0.0002056100000000, 0.0002362800000000 ] - [ 0.0000573400000000, 0.0002532300000000, 0.0001817400000000 ] - [ 0.0170542200000000, 0.0089367500000000, -0.0008142800000000 ] - [ 0.0078867300000000, 0.0010750000000000, 0.0069530400000000 ] - [ 0.0001520600000000, -0.0005092700000000, 0.0000132100000000 ] - [ -0.0000440900000000, -0.0000008200000000, -0.0000833300000000 ] - [ 0.0000050800000000, -0.0000396900000000, 0.0000771800000000 ] - [ 0.0003904300000000, 0.0001129300000000, -0.0001315600000000 ] - [ 0.0000636700000000, 0.0001760100000000, 0.0000176900000000 ] - [ 0.0001417500000000, -0.0001686700000000, 0.0000539200000000 ] - [ -0.0005706100000000, -0.0001054000000000, -0.0006827900000000 ] - [ -0.0000854400000000, -0.0000418100000000, -0.0001984500000000 ] - [ 0.0002272300000000, -0.0000681600000000, -0.0001195200000000 ] - [ 0.0000031100000000, -0.0001174200000000, 0.0001693500000000 ] - [ 0.0002153900000000, -0.0004092500000000, 0.0003649500000000 ] - [ -0.0001912800000000, -0.0001780900000000, -0.0001979700000000 ] - [ -0.0001384900000000, -0.0000913000000000, 0.0001000500000000 ] - [ -0.0002745100000000, -0.0000290500000000, 0.0001170700000000 ] - [ -0.0004204300000000, -0.0001276200000000, -0.0006533200000000 ] - [ -0.0001126900000000, -0.0002983400000000, -0.0000974000000000 ] - [ 0.0003826800000000, 0.0001973100000000, -0.0002013100000000 ] - [ 0.0115318800000000, -0.0019825300000000, -0.0066862900000000 ] - [ 0.0001045000000000, 0.0008968300000000, -0.0000820700000000 ] - [ 0.0004076000000000, -0.0001857600000000, -0.0001314300000000 ] - [ -0.0001948800000000, -0.0003734000000000, 0.0015461400000000 ] - [ -0.0000215400000000, -0.0000847700000000, 0.0000220400000000 ] - [ 0.0001089800000000, -0.0001103600000000, -0.0000461500000000 ] - [ 0.0003873300000000, -0.0001178500000000, 0.0000474300000000 ] - [ -0.0000345600000000, 0.0003520700000000, -0.0002928400000000 ] - [ 0.0000217500000000, 0.0000983700000000, 0.0000373000000000 ] - [ 0.0004639000000000, -0.0000846300000000, -0.0000670600000000 ] - [ 0.0000187700000000, -0.0001628400000000, 0.0001545900000000 ] - [ -0.0001424500000000, -0.0001391900000000, -0.0000892100000000 ] - [ 0.0000327900000000, 0.0000488500000000, 0.0001170900000000 ] - [ 0.0004073200000000, -0.0002232100000000, 0.0000530300000000 ] - [ -0.0001634600000000, -0.0003139400000000, -0.0001847100000000 ] - [ -0.0001499800000000, -0.0001155300000000, -0.0000862800000000 ] - [ 0.0001795000000000, 0.0008366100000000, 0.0002486500000000 ] - [ 0.0001627000000000, -0.0003059400000000, 0.0001225500000000 ] - [ -0.0003588900000000, 0.0000957200000000, -0.0005367000000000 ] - [ -0.0011809600000000, 0.0001468200000000, -0.0011570200000000 ] - [ -0.0000413400000000, -0.0000333800000000, -0.0000955100000000 ] - [ 0.0005171600000000, 0.0001969000000000, 0.0048761700000000 ] - [ 0.0000591700000000, 0.0000432400000000, -0.0003165700000000 ] - [ -0.0000837700000000, -0.0001464000000000, 0.0001548600000000 ] - [ 0.0001989400000000, 0.0001778200000000, 0.0000673700000000 ] - [ -0.0001057700000000, -0.0001796300000000, 0.0001993500000000 ] - [ -0.0002365700000000, -0.0003934200000000, 0.0001703500000000 ] - [ -0.0011615900000000, -0.0002499000000000, 0.0004026000000000 ] - [ -0.0007669500000000, 0.0006685300000000, -0.0001285700000000 ] - [ 0.0006325500000000, -0.0001031400000000, 0.0002527400000000 ] - [ 0.0000042400000000, -0.0000379500000000, -0.0001476000000000 ] - [ -0.0000995600000000, 0.0000201800000000, -0.0000865400000000 ] - [ 0.0002396600000000, 0.0004187000000000, 0.0004622400000000 ] - [ -0.0003182900000000, -0.0000519800000000, -0.0000346200000000 ] - [ 0.0001393400000000, 0.0001230200000000, -0.0000638700000000 ] - [ -0.0002935800000000, -0.0000327600000000, 0.0002933000000000 ] - [ 0.0001732400000000, 0.0000503000000000, -0.0002848900000000 ] - [ 0.0003302000000000, 0.0012734300000000, 0.0006526900000000 ] - [ 0.0000537700000000, -0.0002731900000000, 0.0000431700000000 ] - [ 0.0000489900000000, 0.0000120800000000, 0.0002533700000000 ] - [ -0.0001710600000000, 0.0000363300000000, -0.0002111200000000 ] - [ -0.0000300400000000, 0.0001120200000000, 0.0011220300000000 ] - [ 0.0000444200000000, 0.0000018400000000, -0.0000732800000000 ] - [ -0.0001066900000000, -0.0001271200000000, 0.0000976800000000 ] - [ -0.0000839700000000, -0.0001235900000000, -0.0000443900000000 ] - [ -0.0000522800000000, -0.0002072000000000, -0.0000249200000000 ] - [ 0.0000207600000000, -0.0002820800000000, -0.0002194900000000 ] - [ 0.0548807000000000, -0.0267208900000000, 0.0017309400000000 ] - [ -0.0014688000000000, 0.0001877400000000, -0.0001876000000000 ] - [ -0.0006900200000000, 0.0001781800000000, 0.0017358900000000 ]- atom: 10 displacement: [ -0.0099998398488412, 0.0000000000000000, 0.0000565950309369 ] forces: - [ -0.0001145600000000, -0.0000845100000000, 0.0000719800000000 ] - [ 0.0002161800000000, 0.0001310700000000, 0.0000950200000000 ] - [ -0.0001701200000000, -0.0002320700000000, -0.0002457400000000 ] - [ -0.0049348100000000, 0.0020093200000000, 0.0044075400000000 ] - [ 0.0000704400000000, -0.0001961900000000, 0.0000782100000000 ] - [ -0.0000931500000000, -0.0000224700000000, -0.0004587400000000 ] - [ 0.0028858900000000, -0.0015401200000000, -0.0004570300000000 ] - [ -0.0000439000000000, -0.0001807200000000, 0.0000140800000000 ] - [ -0.0060891100000000, -0.0097614200000000, 0.0015673000000000 ] - [ 0.0971243700000000, -0.0103090100000000, 0.0054087400000000 ] - [ -0.0001755400000000, 0.0003610900000000, -0.0001927300000000 ] - [ -0.0000488000000000, -0.0001417400000000, -0.0000450800000000 ] - [ 0.0007388000000000, 0.0013250100000000, 0.0000819000000000 ] - [ 0.0001196200000000, -0.0001883000000000, 0.0002560600000000 ] - [ 0.0001985100000000, 0.0003445200000000, 0.0000231000000000 ] - [ -0.0170593600000000, -0.0091091200000000, 0.0006226000000000 ] - [ -0.0076979400000000, -0.0004017800000000, -0.0073485600000000 ] - [ 0.0003298200000000, -0.0002995400000000, -0.0003537400000000 ] - [ 0.0000803200000000, 0.0000240300000000, -0.0000125900000000 ] - [ -0.0000407700000000, 0.0000146200000000, 0.0000198500000000 ] - [ -0.0002880400000000, 0.0001957300000000, 0.0001957400000000 ] - [ -0.0000022800000000, 0.0000417700000000, -0.0000827800000000 ] - [ -0.0000321800000000, -0.0001359400000000, 0.0000131400000000 ] - [ 0.0006877000000000, 0.0000943600000000, 0.0011577900000000 ] - [ 0.0000086700000000, -0.0001839300000000, -0.0001259500000000 ] - [ 0.0000065300000000, -0.0002477900000000, -0.0002311200000000 ] - [ 0.0000734100000000, -0.0001080000000000, 0.0001542600000000 ] - [ 0.0000369400000000, -0.0001888200000000, -0.0001636000000000 ] - [ -0.0001923600000000, -0.0001988000000000, -0.0002157400000000 ] - [ -0.0001031400000000, -0.0001859600000000, 0.0001325800000000 ] - [ -0.0000323000000000, 0.0002977500000000, -0.0003414100000000 ] - [ 0.0004791600000000, -0.0000932200000000, 0.0005934100000000 ] - [ -0.0001404200000000, -0.0002981700000000, -0.0001056400000000 ] - [ -0.0001450800000000, 0.0001162900000000, -0.0001478700000000 ] - [ -0.0118366200000000, 0.0023242600000000, 0.0067207700000000 ] - [ -0.0004409900000000, -0.0005219600000000, -0.0001130800000000 ] - [ -0.0000507200000000, -0.0001671400000000, 0.0003169600000000 ] - [ 0.0001200300000000, 0.0005946700000000, -0.0014908000000000 ] - [ -0.0000387500000000, -0.0001376600000000, 0.0000377600000000 ] - [ 0.0001147700000000, 0.0003546700000000, -0.0001675300000000 ] - [ -0.0000026900000000, -0.0002592100000000, 0.0003649600000000 ] - [ -0.0000300400000000, -0.0000350200000000, 0.0000414100000000 ] - [ 0.0001225100000000, 0.0000788500000000, 0.0001058500000000 ] - [ -0.0002433700000000, -0.0001619300000000, -0.0001466200000000 ] - [ 0.0000525300000000, -0.0001571900000000, 0.0000984100000000 ] - [ -0.0002141600000000, -0.0002141700000000, -0.0000970600000000 ] - [ -0.0000294400000000, 0.0000290000000000, 0.0001213500000000 ] - [ -0.0000973100000000, -0.0000356100000000, 0.0001767800000000 ] - [ -0.0001745900000000, -0.0003485400000000, -0.0001519200000000 ] - [ -0.0001594600000000, -0.0001491900000000, -0.0001444100000000 ] - [ -0.0000035500000000, -0.0005565600000000, -0.0005505500000000 ] - [ 0.0000151000000000, 0.0000239400000000, -0.0004135500000000 ] - [ 0.0001225000000000, 0.0003025500000000, 0.0000446600000000 ] - [ 0.0008356100000000, 0.0005134200000000, 0.0008104600000000 ] - [ 0.0000756000000000, 0.0000105100000000, -0.0000005500000000 ] - [ -0.0004019800000000, -0.0004058700000000, -0.0047579500000000 ] - [ -0.0001822000000000, -0.0000491300000000, -0.0001538200000000 ] - [ -0.0000930600000000, -0.0001359500000000, 0.0001350500000000 ] - [ 0.0001560100000000, 0.0001753500000000, 0.0001211300000000 ] - [ -0.0001285000000000, -0.0001330000000000, 0.0001488100000000 ] - [ -0.0002484300000000, -0.0004145300000000, 0.0001706900000000 ] - [ 0.0009257400000000, 0.0005798300000000, -0.0000513600000000 ] - [ 0.0005166000000000, -0.0000773800000000, -0.0000795300000000 ] - [ -0.0005278300000000, -0.0002960900000000, -0.0001784600000000 ] - [ -0.0000090800000000, -0.0000423300000000, -0.0000908700000000 ] - [ -0.0000443000000000, 0.0001561700000000, -0.0000564000000000 ] - [ 0.0001011800000000, 0.0002404300000000, -0.0001250100000000 ] - [ 0.0005529100000000, 0.0003300000000000, -0.0001888000000000 ] - [ -0.0000374500000000, 0.0002839500000000, 0.0001396700000000 ] - [ 0.0002926700000000, -0.0000435300000000, -0.0000501300000000 ] - [ 0.0003248100000000, 0.0007524400000000, -0.0000548000000000 ] - [ -0.0005629400000000, -0.0010438100000000, -0.0004288600000000 ] - [ 0.0000560900000000, -0.0002874700000000, -0.0000026200000000 ] - [ 0.0000785600000000, -0.0000026600000000, 0.0002166700000000 ] - [ 0.0000451300000000, -0.0000277800000000, -0.0002589700000000 ] - [ -0.0001090900000000, 0.0002825500000000, -0.0011697500000000 ] - [ -0.0001556100000000, -0.0005642100000000, 0.0000333300000000 ] - [ -0.0001149700000000, -0.0001178400000000, 0.0001170300000000 ] - [ 0.0000120600000000, -0.0002010500000000, -0.0002134700000000 ] - [ -0.0000516100000000, -0.0001907100000000, -0.0000526900000000 ] - [ 0.0002203800000000, 0.0000059100000000, -0.0000121600000000 ] - [ -0.0563986000000000, 0.0285093000000000, -0.0015909600000000 ] - [ 0.0016844800000000, 0.0001963000000000, 0.0006731100000000 ] - [ 0.0003095500000000, 0.0001855000000000, -0.0021671600000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003965100000000, 0.0001647500000000, 0.0003307300000000 ] - [ 0.0000314400000000, 0.0001144700000000, 0.0001424000000000 ] - [ -0.0000719600000000, -0.0001932600000000, -0.0002453100000000 ] - [ -0.0013931200000000, 0.0003704600000000, -0.0035475900000000 ] - [ 0.0000392900000000, -0.0001997400000000, -0.0004096700000000 ] - [ -0.0001658800000000, 0.0009326700000000, 0.0000983100000000 ] - [ -0.0003897400000000, 0.0069431600000000, 0.0045683500000000 ] - [ 0.0000838000000000, -0.0002680200000000, 0.0000004000000000 ] - [ 0.0064127200000000, 0.0058369800000000, -0.0015650700000000 ] - [ 0.0108322100000000, -0.1261836300000000, -0.0000219700000000 ] - [ -0.0000641200000000, 0.0001499600000000, -0.0002739300000000 ] - [ -0.0000467300000000, -0.0001425800000000, -0.0000425300000000 ] - [ 0.0000928600000000, -0.0001540600000000, -0.0012835300000000 ] - [ 0.0001146000000000, -0.0001900200000000, 0.0002548100000000 ] - [ 0.0003367900000000, 0.0002814400000000, 0.0002555400000000 ] - [ 0.0230646400000000, 0.0682249300000000, 0.0112575100000000 ] - [ 0.0018564600000000, 0.0137219900000000, -0.0183597600000000 ] - [ 0.0001398400000000, -0.0004913800000000, -0.0001010700000000 ] - [ -0.0000717900000000, -0.0000799000000000, 0.0002624700000000 ] - [ -0.0000090000000000, -0.0000187700000000, 0.0001187000000000 ] - [ 0.0002605300000000, 0.0003352500000000, 0.0000914300000000 ] - [ -0.0000216100000000, -0.0001620800000000, -0.0001549300000000 ] - [ -0.0000198700000000, -0.0000843100000000, 0.0000137500000000 ] - [ 0.0001674200000000, 0.0000463000000000, 0.0007513200000000 ] - [ 0.0000209600000000, -0.0000641700000000, -0.0001125300000000 ] - [ 0.0000244700000000, -0.0001051500000000, -0.0005118900000000 ] - [ 0.0000293600000000, -0.0001078700000000, 0.0001681400000000 ] - [ -0.0000621200000000, -0.0000524500000000, -0.0000552200000000 ] - [ -0.0001690500000000, -0.0001602100000000, -0.0002062400000000 ] - [ -0.0001281600000000, -0.0001504200000000, 0.0001338100000000 ] - [ -0.0005215800000000, -0.0000208400000000, 0.0001784400000000 ] - [ -0.0000170000000000, -0.0002162000000000, -0.0001115800000000 ] - [ -0.0001270200000000, -0.0002923200000000, -0.0001161600000000 ] - [ 0.0003379600000000, 0.0004274900000000, 0.0000024400000000 ] - [ -0.0036162500000000, -0.0029910800000000, 0.0013239100000000 ] - [ 0.0001772900000000, 0.0010974500000000, 0.0005544400000000 ] - [ 0.0001385100000000, 0.0001512800000000, 0.0000891100000000 ] - [ -0.0000424900000000, -0.0005462000000000, 0.0004601100000000 ] - [ -0.0000071100000000, -0.0001047600000000, 0.0000165400000000 ] - [ 0.0001761100000000, 0.0002741800000000, -0.0003444800000000 ] - [ 0.0003775200000000, -0.0001700700000000, 0.0001458100000000 ] - [ -0.0001126800000000, 0.0000977900000000, 0.0000419300000000 ] - [ 0.0000792600000000, 0.0000482000000000, 0.0001033900000000 ] - [ 0.0001063700000000, 0.0000609800000000, 0.0000408400000000 ] - [ 0.0000234300000000, -0.0001613500000000, 0.0001134600000000 ] - [ -0.0001853300000000, -0.0001713900000000, -0.0000805700000000 ] - [ -0.0001425800000000, -0.0000833300000000, 0.0000927000000000 ] - [ 0.0004129400000000, 0.0002117400000000, -0.0002639400000000 ] - [ -0.0001464900000000, -0.0003311500000000, -0.0001490000000000 ] - [ -0.0001899700000000, -0.0002038900000000, -0.0000585600000000 ] - [ -0.0000179900000000, 0.0004191900000000, -0.0001555100000000 ] - [ 0.0000996500000000, -0.0000690600000000, -0.0002500000000000 ] - [ -0.0002131100000000, -0.0000499800000000, -0.0005517100000000 ] - [ -0.0009741000000000, 0.0012938300000000, -0.0003060600000000 ] - [ 0.0000018800000000, -0.0001011600000000, -0.0000597300000000 ] - [ -0.0026583900000000, -0.0020390300000000, -0.0009365800000000 ] - [ 0.0004237000000000, 0.0003114500000000, -0.0005792300000000 ] - [ -0.0000776300000000, -0.0001377000000000, 0.0001459200000000 ] - [ 0.0000756500000000, 0.0000506400000000, 0.0001323800000000 ] - [ -0.0001354400000000, -0.0001601400000000, 0.0002007900000000 ] - [ -0.0002549800000000, -0.0004149200000000, 0.0001717600000000 ] - [ -0.0009765700000000, 0.0004924400000000, 0.0008978200000000 ] - [ 0.0002573100000000, 0.0000203200000000, -0.0002973100000000 ] - [ -0.0000759100000000, -0.0002094700000000, -0.0000141700000000 ] - [ 0.0000013600000000, -0.0000209900000000, -0.0001425500000000 ] - [ -0.0000793800000000, 0.0000917500000000, -0.0000450700000000 ] - [ 0.0001600300000000, 0.0005221700000000, 0.0002374400000000 ] - [ -0.0009550500000000, 0.0007789800000000, 0.0003151000000000 ] - [ -0.0001472900000000, 0.0001448900000000, -0.0002945300000000 ] - [ 0.0000850100000000, -0.0003096200000000, 0.0006001300000000 ] - [ 0.0005947200000000, -0.0015816600000000, -0.0006869400000000 ] - [ 0.0003859600000000, -0.0003335500000000, -0.0002508200000000 ] - [ 0.0000757500000000, -0.0002547000000000, 0.0000367200000000 ] - [ 0.0000714600000000, -0.0000253400000000, 0.0002181900000000 ] - [ -0.0000055900000000, -0.0000582800000000, -0.0002967100000000 ] - [ -0.0004598100000000, 0.0059303100000000, 0.0078857100000000 ] - [ -0.0000238000000000, -0.0001726200000000, 0.0000416400000000 ] - [ -0.0001168900000000, -0.0001121800000000, 0.0001116600000000 ] - [ 0.0000176300000000, -0.0002119400000000, -0.0001679300000000 ] - [ -0.0000625700000000, -0.0001924800000000, -0.0000302200000000 ] - [ 0.0000355700000000, -0.0002564900000000, -0.0002370800000000 ] - [ -0.0318652000000000, 0.0301506700000000, -0.0003492600000000 ] - [ -0.0011534400000000, 0.0010879000000000, 0.0012607300000000 ] - [ -0.0000441600000000, 0.0000258900000000, -0.0001998400000000 ]- atom: 10 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000204100000000, 0.0002139900000000, 0.0000954500000000 ] - [ 0.0002896500000000, 0.0001574300000000, 0.0000857500000000 ] - [ -0.0001729300000000, -0.0001968100000000, -0.0002500400000000 ] - [ 0.0015494700000000, -0.0000266200000000, 0.0037585500000000 ] - [ -0.0000766300000000, 0.0002217500000000, 0.0005037500000000 ] - [ 0.0000545600000000, -0.0003812800000000, -0.0001120000000000 ] - [ 0.0001682500000000, -0.0065830000000000, -0.0042604400000000 ] - [ 0.0002407600000000, -0.0003875800000000, 0.0003315200000000 ] - [ -0.0067563500000000, -0.0056851000000000, 0.0018195300000000 ] - [ -0.0089056900000000, 0.1292505100000000, 0.0014422700000000 ] - [ 0.0000583700000000, -0.0000776100000000, 0.0000092600000000 ] - [ -0.0000434000000000, -0.0001458400000000, -0.0000331400000000 ] - [ -0.0001638000000000, 0.0003573900000000, 0.0009610100000000 ] - [ 0.0001322000000000, -0.0001991800000000, 0.0002411100000000 ] - [ -0.0000904700000000, 0.0002992100000000, -0.0000542000000000 ] - [ -0.0243658100000000, -0.0714361600000000, -0.0123396600000000 ] - [ -0.0017594100000000, -0.0131317500000000, 0.0183192300000000 ] - [ 0.0003564600000000, -0.0003233200000000, -0.0002550200000000 ] - [ 0.0001092400000000, 0.0001029300000000, -0.0003575500000000 ] - [ -0.0000286700000000, -0.0000073600000000, -0.0000303700000000 ] - [ -0.0001704200000000, -0.0000480900000000, -0.0000194300000000 ] - [ 0.0000790800000000, 0.0003893400000000, 0.0001112000000000 ] - [ 0.0001124000000000, -0.0002044700000000, 0.0000604700000000 ] - [ -0.0000330400000000, -0.0000746600000000, -0.0002993900000000 ] - [ -0.0001036600000000, -0.0001475800000000, -0.0002196500000000 ] - [ 0.0002118900000000, -0.0002031200000000, 0.0001613600000000 ] - [ 0.0000524900000000, -0.0001031100000000, 0.0001645700000000 ] - [ 0.0003095100000000, -0.0005300400000000, 0.0002547500000000 ] - [ -0.0002082200000000, -0.0002159000000000, -0.0002257600000000 ] - [ -0.0001199200000000, -0.0001410800000000, 0.0001094100000000 ] - [ 0.0002021400000000, 0.0003001100000000, -0.0004031600000000 ] - [ 0.0000706700000000, -0.0000065200000000, 0.0000648700000000 ] - [ -0.0001190900000000, -0.0002878600000000, -0.0000811900000000 ] - [ -0.0001077200000000, -0.0001213300000000, -0.0003545000000000 ] - [ 0.0035073900000000, 0.0033188300000000, -0.0014273400000000 ] - [ -0.0005265000000000, -0.0007186800000000, -0.0007235200000000 ] - [ 0.0002324100000000, -0.0005169800000000, 0.0000811400000000 ] - [ -0.0000041700000000, 0.0007821400000000, -0.0004098900000000 ] - [ -0.0000498300000000, -0.0001217900000000, 0.0000261500000000 ] - [ 0.0000563700000000, -0.0000210200000000, 0.0001205600000000 ] - [ -0.0000013600000000, -0.0002047600000000, 0.0002849700000000 ] - [ 0.0000485400000000, 0.0002257400000000, -0.0002798100000000 ] - [ 0.0000566800000000, 0.0001348800000000, 0.0000228400000000 ] - [ 0.0001291900000000, -0.0003158200000000, -0.0002673400000000 ] - [ 0.0000472100000000, -0.0001654100000000, 0.0001218100000000 ] - [ -0.0001840100000000, -0.0001941200000000, -0.0000891500000000 ] - [ 0.0001501000000000, 0.0001544000000000, 0.0001680100000000 ] - [ -0.0000944900000000, -0.0004896500000000, 0.0004897700000000 ] - [ -0.0001769200000000, -0.0003243000000000, -0.0001825900000000 ] - [ -0.0001274700000000, -0.0000659600000000, -0.0001711600000000 ] - [ 0.0001834500000000, -0.0001459100000000, -0.0001351400000000 ] - [ 0.0000698000000000, -0.0002107600000000, -0.0000444500000000 ] - [ -0.0000311100000000, 0.0004476600000000, 0.0000607700000000 ] - [ 0.0006474600000000, -0.0006019100000000, -0.0000288500000000 ] - [ 0.0000342800000000, 0.0000766400000000, -0.0000297200000000 ] - [ 0.0028397700000000, 0.0017711500000000, 0.0010631800000000 ] - [ -0.0005572000000000, -0.0003253000000000, 0.0001242000000000 ] - [ -0.0000906900000000, -0.0001420200000000, 0.0001473600000000 ] - [ 0.0002950400000000, 0.0003147000000000, 0.0000376300000000 ] - [ -0.0001006100000000, -0.0001474700000000, 0.0001496600000000 ] - [ -0.0002414400000000, -0.0003993900000000, 0.0001839200000000 ] - [ 0.0007511000000000, -0.0001782200000000, -0.0005421700000000 ] - [ -0.0004913600000000, 0.0005490700000000, 0.0000952000000000 ] - [ 0.0001851300000000, -0.0001913200000000, 0.0000971400000000 ] - [ -0.0000097700000000, -0.0000496700000000, -0.0001166700000000 ] - [ -0.0000572200000000, 0.0000905600000000, -0.0000814700000000 ] - [ 0.0001664600000000, 0.0001355500000000, 0.0000983600000000 ] - [ 0.0011993000000000, -0.0004984900000000, -0.0005635600000000 ] - [ 0.0002522100000000, 0.0002614500000000, 0.0003801600000000 ] - [ -0.0000818600000000, 0.0002458200000000, -0.0003385900000000 ] - [ -0.0000933000000000, 0.0024224700000000, 0.0003531800000000 ] - [ -0.0006241800000000, 0.0005852200000000, 0.0004777100000000 ] - [ 0.0000290800000000, -0.0003097400000000, -0.0000162100000000 ] - [ 0.0000658700000000, 0.0000437000000000, 0.0002454400000000 ] - [ -0.0001309600000000, 0.0000744700000000, -0.0001671900000000 ] - [ 0.0003454000000000, -0.0055309900000000, -0.0079301900000000 ] - [ -0.0000842700000000, -0.0003924200000000, -0.0000621900000000 ] - [ -0.0001167000000000, -0.0001425000000000, 0.0001172100000000 ] - [ -0.0000812200000000, -0.0001136100000000, -0.0000708000000000 ] - [ -0.0000442800000000, -0.0002109200000000, -0.0000529200000000 ] - [ 0.0002133100000000, -0.0000335600000000, -0.0000060500000000 ] - [ 0.0306649000000000, -0.0291305300000000, 0.0006230600000000 ] - [ 0.0014122300000000, -0.0006953800000000, -0.0007737800000000 ] - [ -0.0003332300000000, 0.0003269000000000, -0.0002572500000000 ]- atom: 10 displacement: [ -0.0027030911372206, 0.0000000000000000, 0.0096277358866911 ] forces: - [ -0.0001525100000000, 0.0001848900000000, 0.0002501000000000 ] - [ 0.0001433400000000, 0.0001205300000000, 0.0002271900000000 ] - [ -0.0001771800000000, -0.0002441300000000, -0.0001677800000000 ] - [ -0.0105290500000000, -0.0006309300000000, 0.0085111000000000 ] - [ 0.0000887700000000, 0.0001773100000000, 0.0001131900000000 ] - [ -0.0000549300000000, 0.0005518100000000, -0.0001031900000000 ] - [ -0.0006860000000000, 0.0043124100000000, 0.0023402800000000 ] - [ -0.0000301800000000, -0.0001094600000000, 0.0000330400000000 ] - [ -0.0000365300000000, -0.0017766800000000, -0.0019858600000000 ] - [ 0.0203211600000000, -0.0026505600000000, -0.1125927400000000 ] - [ 0.0001501500000000, 0.0000649400000000, -0.0003981600000000 ] - [ -0.0000508900000000, -0.0001711800000000, -0.0000213000000000 ] - [ 0.0001537700000000, -0.0005467500000000, 0.0011429600000000 ] - [ 0.0001139400000000, -0.0001992800000000, 0.0002646400000000 ] - [ 0.0001977700000000, 0.0003479400000000, 0.0000559600000000 ] - [ 0.0012954300000000, 0.0070491400000000, 0.0125045500000000 ] - [ -0.0067223800000000, -0.0134475900000000, 0.0719563000000000 ] - [ 0.0004299800000000, -0.0003008100000000, -0.0002089500000000 ] - [ 0.0000526200000000, -0.0001360100000000, -0.0002668200000000 ] - [ -0.0000300700000000, 0.0000733400000000, -0.0000235400000000 ] - [ -0.0000165000000000, -0.0000352900000000, -0.0003316300000000 ] - [ 0.0002116500000000, 0.0001558100000000, 0.0000185900000000 ] - [ -0.0000486600000000, -0.0000878100000000, 0.0000382400000000 ] - [ 0.0002654600000000, -0.0000598600000000, 0.0001634900000000 ] - [ -0.0000293700000000, -0.0001900900000000, -0.0000860100000000 ] - [ 0.0000491700000000, -0.0000724600000000, -0.0001020500000000 ] - [ 0.0000449600000000, -0.0001174000000000, 0.0001453800000000 ] - [ 0.0000494800000000, -0.0001560900000000, -0.0000974900000000 ] - [ -0.0002134000000000, -0.0002089100000000, -0.0001887400000000 ] - [ -0.0001154400000000, -0.0001270200000000, 0.0000885500000000 ] - [ 0.0000163200000000, 0.0007567700000000, -0.0000543200000000 ] - [ 0.0005981800000000, -0.0000194200000000, 0.0006851600000000 ] - [ -0.0001000900000000, -0.0003108400000000, -0.0000831200000000 ] - [ 0.0000454100000000, 0.0001445600000000, -0.0000785000000000 ] - [ -0.0053001500000000, -0.0005722400000000, 0.0063560000000000 ] - [ -0.0006184200000000, 0.0003314300000000, 0.0002902400000000 ] - [ -0.0000833700000000, -0.0000824300000000, 0.0003566200000000 ] - [ 0.0004862600000000, 0.0002814500000000, -0.0004347200000000 ] - [ -0.0000450400000000, -0.0001084500000000, 0.0000305500000000 ] - [ 0.0002155300000000, 0.0003390100000000, -0.0001577300000000 ] - [ 0.0000185400000000, -0.0002838400000000, 0.0002772700000000 ] - [ -0.0000017400000000, 0.0003520100000000, -0.0000519500000000 ] - [ 0.0001115700000000, 0.0000705900000000, 0.0001258200000000 ] - [ -0.0002834200000000, -0.0002723600000000, -0.0002435700000000 ] - [ 0.0000104000000000, -0.0001805800000000, 0.0001326900000000 ] - [ -0.0001864200000000, -0.0001866200000000, -0.0000816400000000 ] - [ 0.0002954500000000, 0.0001450300000000, 0.0001745800000000 ] - [ -0.0000171600000000, -0.0003759500000000, 0.0002910000000000 ] - [ -0.0001830800000000, -0.0003361900000000, -0.0001519200000000 ] - [ -0.0001220700000000, -0.0001681300000000, -0.0001242800000000 ] - [ 0.0001947700000000, -0.0005144500000000, 0.0007197100000000 ] - [ -0.0000121700000000, -0.0000590600000000, -0.0003759800000000 ] - [ -0.0003370300000000, 0.0003457100000000, -0.0002819700000000 ] - [ 0.0003890000000000, -0.0002510500000000, -0.0007091700000000 ] - [ 0.0001279300000000, -0.0000528000000000, 0.0001447400000000 ] - [ 0.0008307900000000, 0.0061279800000000, 0.0049168100000000 ] - [ -0.0003746500000000, -0.0001431900000000, 0.0002485300000000 ] - [ -0.0000990700000000, -0.0001287300000000, 0.0001425800000000 ] - [ 0.0001230600000000, 0.0002685100000000, 0.0003273500000000 ] - [ -0.0001207700000000, -0.0001724200000000, 0.0001628200000000 ] - [ -0.0002310800000000, -0.0004002400000000, 0.0001784600000000 ] - [ -0.0001693100000000, 0.0003998700000000, -0.0000027100000000 ] - [ 0.0002329700000000, 0.0002226600000000, 0.0000194400000000 ] - [ -0.0004373700000000, -0.0004420000000000, -0.0000975200000000 ] - [ 0.0000203000000000, -0.0000097900000000, -0.0001310700000000 ] - [ -0.0000431900000000, 0.0001072200000000, -0.0000965000000000 ] - [ 0.0000843400000000, 0.0002663900000000, -0.0001021200000000 ] - [ 0.0016798800000000, 0.0003952900000000, -0.0001066300000000 ] - [ -0.0000139800000000, -0.0000756500000000, -0.0004030600000000 ] - [ 0.0001753300000000, -0.0003530900000000, 0.0000227300000000 ] - [ 0.0001273900000000, 0.0009921100000000, -0.0009476100000000 ] - [ -0.0003788300000000, -0.0007425800000000, -0.0003907300000000 ] - [ 0.0000224400000000, -0.0003098200000000, -0.0000146700000000 ] - [ 0.0000482600000000, 0.0000038500000000, 0.0001923800000000 ] - [ 0.0000687700000000, -0.0000561600000000, -0.0001823200000000 ] - [ 0.0017959700000000, 0.0037700900000000, 0.0020760400000000 ] - [ -0.0001728000000000, -0.0005195000000000, -0.0000306800000000 ] - [ -0.0001082400000000, -0.0001282600000000, 0.0001296400000000 ] - [ -0.0001518900000000, -0.0000971200000000, -0.0001641000000000 ] - [ -0.0000437200000000, -0.0002000300000000, -0.0000518900000000 ] - [ 0.0002213300000000, -0.0000603200000000, -0.0000394000000000 ] - [ -0.0034113200000000, -0.0001018000000000, 0.0065777200000000 ] - [ 0.0007092600000000, -0.0006689100000000, 0.0001600600000000 ] - [ -0.0002775900000000, 0.0012937000000000, -0.0004283600000000 ]- atom: 10 displacement: [ 0.0027030911372206, 0.0000000000000000, -0.0096277358866911 ] forces: - [ 0.0005382100000000, 0.0001950600000000, 0.0001716300000000 ] - [ 0.0001663500000000, 0.0001443800000000, 0.0000082300000000 ] - [ -0.0000523800000000, -0.0001536600000000, -0.0003252300000000 ] - [ 0.0104280800000000, 0.0009174600000000, -0.0080611800000000 ] - [ -0.0001266300000000, -0.0001588100000000, -0.0000208800000000 ] - [ -0.0000541800000000, 0.0000107100000000, 0.0000747800000000 ] - [ 0.0004754400000000, -0.0039994300000000, -0.0020266500000000 ] - [ 0.0003624200000000, -0.0005481000000000, 0.0002999200000000 ] - [ -0.0001894900000000, 0.0020684100000000, 0.0021977300000000 ] - [ -0.0210564900000000, 0.0040700000000000, 0.1090059800000000 ] - [ -0.0001527600000000, 0.0000061100000000, 0.0001524000000000 ] - [ -0.0000541800000000, -0.0001307100000000, -0.0000515400000000 ] - [ -0.0002434500000000, 0.0007609300000000, -0.0014786100000000 ] - [ 0.0001175300000000, -0.0001973100000000, 0.0002291800000000 ] - [ 0.0000551000000000, 0.0002472400000000, 0.0001475100000000 ] - [ -0.0013368500000000, -0.0070704200000000, -0.0124859700000000 ] - [ 0.0069780800000000, 0.0133645500000000, -0.0682885200000000 ] - [ 0.0000548100000000, -0.0005104200000000, -0.0001342700000000 ] - [ -0.0000196000000000, 0.0001567500000000, 0.0001743800000000 ] - [ -0.0000055100000000, -0.0000971300000000, 0.0001134200000000 ] - [ 0.0001301500000000, 0.0003402900000000, 0.0004107500000000 ] - [ -0.0001509800000000, 0.0000676800000000, -0.0000747800000000 ] - [ 0.0001533200000000, -0.0002147200000000, 0.0000293700000000 ] - [ -0.0001360500000000, 0.0000510200000000, 0.0002840900000000 ] - [ -0.0000459500000000, -0.0000370700000000, -0.0002402800000000 ] - [ 0.0001794700000000, -0.0002434100000000, -0.0002419100000000 ] - [ 0.0000300700000000, -0.0001068600000000, 0.0001811600000000 ] - [ 0.0002020700000000, -0.0004355700000000, 0.0002949800000000 ] - [ -0.0001714000000000, -0.0001707400000000, -0.0002295300000000 ] - [ -0.0001286300000000, -0.0001515900000000, 0.0001451900000000 ] - [ -0.0003175900000000, -0.0004862700000000, -0.0001834900000000 ] - [ -0.0005391400000000, -0.0002019300000000, -0.0007320600000000 ] - [ -0.0001520700000000, -0.0002828100000000, -0.0001180000000000 ] - [ 0.0001874500000000, 0.0001660200000000, -0.0002703800000000 ] - [ 0.0052105200000000, 0.0008531400000000, -0.0063947500000000 ] - [ 0.0002563800000000, 0.0000268300000000, -0.0004703000000000 ] - [ 0.0004429000000000, -0.0002719200000000, -0.0001698700000000 ] - [ -0.0005333600000000, -0.0000634700000000, 0.0004847300000000 ] - [ -0.0000152800000000, -0.0001152900000000, 0.0000246100000000 ] - [ 0.0000055000000000, -0.0000923000000000, -0.0000579800000000 ] - [ 0.0003644800000000, -0.0000940100000000, 0.0001396200000000 ] - [ -0.0000723100000000, -0.0000328900000000, -0.0001938200000000 ] - [ 0.0000363100000000, 0.0001030400000000, 0.0000170000000000 ] - [ 0.0005013100000000, 0.0000212500000000, 0.0000254500000000 ] - [ 0.0000623000000000, -0.0001395800000000, 0.0001118100000000 ] - [ -0.0001732200000000, -0.0001677700000000, -0.0000997500000000 ] - [ -0.0002902900000000, -0.0000670400000000, 0.0000684300000000 ] - [ 0.0003215300000000, 0.0001062100000000, -0.0000530600000000 ] - [ -0.0001519900000000, -0.0003236800000000, -0.0001832300000000 ] - [ -0.0001846900000000, -0.0000949700000000, -0.0001138300000000 ] - [ -0.0000254500000000, 0.0008149300000000, -0.0010314100000000 ] - [ 0.0001895500000000, -0.0002176700000000, 0.0000832000000000 ] - [ 0.0001093500000000, 0.0000461200000000, -0.0002082200000000 ] - [ -0.0007244000000000, 0.0009015100000000, 0.0003824400000000 ] - [ -0.0000940200000000, 0.0000345700000000, -0.0002293400000000 ] - [ -0.0007264500000000, -0.0063422400000000, -0.0048222400000000 ] - [ 0.0002512300000000, 0.0001360900000000, -0.0007117800000000 ] - [ -0.0000760500000000, -0.0001497800000000, 0.0001436700000000 ] - [ 0.0002358900000000, 0.0000854200000000, -0.0001454900000000 ] - [ -0.0001096100000000, -0.0001397200000000, 0.0001812300000000 ] - [ -0.0002541500000000, -0.0004106000000000, 0.0001655400000000 ] - [ -0.0000721000000000, -0.0000845100000000, 0.0003531600000000 ] - [ -0.0004885900000000, 0.0003795900000000, -0.0002185600000000 ] - [ 0.0005482400000000, 0.0000427900000000, 0.0001704600000000 ] - [ -0.0000261800000000, -0.0000692400000000, -0.0001130900000000 ] - [ -0.0001031400000000, 0.0000660200000000, -0.0000462200000000 ] - [ 0.0002532800000000, 0.0003951400000000, 0.0004401500000000 ] - [ -0.0014461200000000, -0.0001233600000000, -0.0001261400000000 ] - [ 0.0001221600000000, 0.0004814500000000, 0.0004923900000000 ] - [ -0.0001697900000000, 0.0002748900000000, 0.0002180900000000 ] - [ 0.0003413200000000, -0.0001920500000000, 0.0005896000000000 ] - [ 0.0001340400000000, 0.0009652100000000, 0.0006074100000000 ] - [ 0.0000853100000000, -0.0002518800000000, 0.0000511400000000 ] - [ 0.0000840900000000, 0.0000106300000000, 0.0002740500000000 ] - [ -0.0001963200000000, 0.0000686200000000, -0.0002813500000000 ] - [ -0.0018973600000000, -0.0033150900000000, -0.0021236900000000 ] - [ 0.0000597300000000, -0.0000471800000000, -0.0000065000000000 ] - [ -0.0001151300000000, -0.0001204100000000, 0.0000885300000000 ] - [ 0.0000814000000000, -0.0002353800000000, -0.0000858100000000 ] - [ -0.0000604400000000, -0.0001957100000000, -0.0000327700000000 ] - [ 0.0000245400000000, -0.0002158100000000, -0.0001944400000000 ] - [ 0.0037367500000000, 0.0002233700000000, -0.0063061200000000 ] - [ -0.0004775600000000, 0.0010676400000000, 0.0003234000000000 ] - [ -0.0000993100000000, -0.0009006000000000, 0.0000262100000000 ]- atom: 11 displacement: [ 0.0099998398488412, 0.0000000000000000, -0.0000565950309369 ] forces: - [ 0.0002170000000000, 0.0001897400000000, 0.0001393000000000 ] - [ 0.0000715600000000, 0.0002189700000000, 0.0000325000000000 ] - [ -0.0000918200000000, 0.0000251000000000, 0.0000085300000000 ] - [ 0.0034948800000000, -0.0001490800000000, -0.0010828500000000 ] - [ 0.0715022800000000, -0.0021558100000000, -0.0154770200000000 ] - [ -0.0000499000000000, 0.0001307900000000, -0.0001736000000000 ] - [ 0.0005166500000000, -0.0002230300000000, 0.0004504100000000 ] - [ 0.0002672400000000, -0.0003170300000000, 0.0003114400000000 ] - [ -0.0007764800000000, -0.0002357400000000, 0.0001383700000000 ] - [ -0.0000635900000000, 0.0003401800000000, 0.0003769400000000 ] - [ -0.1179505300000000, -0.0135240100000000, 0.0046272500000000 ] - [ -0.0000714900000000, -0.0001480700000000, -0.0000373900000000 ] - [ -0.0000086400000000, 0.0001884100000000, -0.0001645800000000 ] - [ 0.0001153100000000, -0.0002039200000000, 0.0002193200000000 ] - [ 0.0001275600000000, 0.0003561100000000, 0.0001148300000000 ] - [ 0.0005786700000000, 0.0003585500000000, 0.0006198100000000 ] - [ -0.0011838200000000, 0.0018145300000000, 0.0004147500000000 ] - [ -0.0000528400000000, -0.0003216900000000, -0.0000716400000000 ] - [ 0.0001683200000000, 0.0000737400000000, -0.0003621800000000 ] - [ -0.0000077600000000, -0.0000484100000000, 0.0000673600000000 ] - [ 0.0000457400000000, 0.0001592400000000, 0.0001529700000000 ] - [ 0.0000290100000000, 0.0001939900000000, 0.0000611200000000 ] - [ 0.0000379800000000, -0.0000805800000000, -0.0000580100000000 ] - [ 0.0063303200000000, -0.0047167500000000, 0.0049765600000000 ] - [ 0.0000355900000000, -0.0000540200000000, -0.0003251200000000 ] - [ 0.0000750800000000, -0.0001328700000000, -0.0008498100000000 ] - [ 0.0000276300000000, -0.0000880200000000, 0.0001606300000000 ] - [ 0.0001505700000000, -0.0005083300000000, -0.0000277600000000 ] - [ -0.0001705600000000, -0.0001636300000000, -0.0002157700000000 ] - [ -0.0001383600000000, -0.0001309000000000, 0.0001660900000000 ] - [ 0.0126962200000000, 0.0115128200000000, -0.0016381500000000 ] - [ -0.0001482100000000, 0.0004707900000000, 0.0001887100000000 ] - [ -0.0001218500000000, -0.0003041000000000, -0.0001091700000000 ] - [ 0.0001342600000000, 0.0000645000000000, -0.0002592500000000 ] - [ 0.0003779000000000, 0.0001433000000000, 0.0002467400000000 ] - [ 0.0092622600000000, 0.0028127500000000, 0.0014873300000000 ] - [ 0.0003117800000000, -0.0002910900000000, -0.0001171200000000 ] - [ 0.0011631400000000, 0.0061632700000000, -0.0008073800000000 ] - [ -0.0000232100000000, -0.0001115300000000, 0.0000217400000000 ] - [ -0.0000330000000000, 0.0001894300000000, 0.0000549300000000 ] - [ -0.0002578800000000, -0.0000267100000000, 0.0011998200000000 ] - [ -0.0000793700000000, 0.0001153400000000, -0.0000860000000000 ] - [ -0.0000621200000000, 0.0002210200000000, 0.0001213000000000 ] - [ 0.0000263600000000, 0.0001888400000000, 0.0000449200000000 ] - [ 0.0000485500000000, -0.0001521400000000, 0.0001011900000000 ] - [ -0.0001817200000000, -0.0001744600000000, -0.0000857200000000 ] - [ 0.0001865800000000, 0.0000570400000000, 0.0002518000000000 ] - [ 0.0035611500000000, -0.0010332900000000, -0.0012336100000000 ] - [ -0.0001779300000000, -0.0003405600000000, -0.0001578900000000 ] - [ -0.0002248300000000, -0.0001631400000000, -0.0001009300000000 ] - [ 0.0000648100000000, 0.0001521900000000, -0.0001433700000000 ] - [ 0.0000065400000000, -0.0001844800000000, -0.0001242600000000 ] - [ -0.0001214200000000, 0.0002197100000000, -0.0002619100000000 ] - [ -0.0005175400000000, -0.0000194600000000, -0.0018385500000000 ] - [ 0.0010240600000000, -0.0013268600000000, -0.0002698100000000 ] - [ 0.0002548600000000, -0.0005045500000000, -0.0002989500000000 ] - [ -0.0001387000000000, -0.0000287500000000, -0.0002979800000000 ] - [ -0.0000929400000000, -0.0001345700000000, 0.0001111800000000 ] - [ 0.0000357100000000, 0.0001127300000000, 0.0004595400000000 ] - [ -0.0001009300000000, -0.0001463100000000, 0.0001966000000000 ] - [ -0.0002321000000000, -0.0004095900000000, 0.0001930700000000 ] - [ -0.0007202700000000, -0.0001821300000000, 0.0005143500000000 ] - [ 0.0055960400000000, -0.0044859600000000, 0.0033296900000000 ] - [ -0.0001890800000000, -0.0006593600000000, 0.0001289500000000 ] - [ -0.0000078900000000, -0.0000446000000000, -0.0000954800000000 ] - [ -0.0001042000000000, 0.0000051300000000, -0.0000906000000000 ] - [ 0.0001611400000000, 0.0002994500000000, 0.0002138300000000 ] - [ 0.0001622400000000, 0.0000380900000000, -0.0002080500000000 ] - [ 0.0000550800000000, 0.0001456000000000, 0.0001106700000000 ] - [ 0.0001957100000000, 0.0001352300000000, -0.0005212100000000 ] - [ 0.0002720700000000, 0.0005486600000000, 0.0001441300000000 ] - [ 0.0009951000000000, -0.0002942000000000, 0.0032282800000000 ] - [ 0.0000695300000000, -0.0002734800000000, 0.0000298200000000 ] - [ 0.0000695500000000, -0.0000055300000000, 0.0002529400000000 ] - [ -0.0004965500000000, -0.0000716900000000, -0.0008446800000000 ] - [ 0.0022450700000000, 0.0000311700000000, -0.0000781200000000 ] - [ 0.0004215700000000, -0.0004250700000000, -0.0002094900000000 ] - [ -0.0001125000000000, -0.0001176800000000, 0.0001037400000000 ] - [ 0.0005530800000000, -0.0008694200000000, 0.0002346800000000 ] - [ -0.0000597900000000, -0.0001851700000000, -0.0000444100000000 ] - [ -0.0001585800000000, -0.0003161000000000, -0.0001211900000000 ] - [ -0.0002827500000000, 0.0004073600000000, -0.0000732100000000 ] - [ 0.0007308700000000, -0.0002924600000000, 0.0004726700000000 ] - [ 0.0007385500000000, 0.0086925400000000, 0.0024814700000000 ]- atom: 11 displacement: [ -0.0099998398488412, 0.0000000000000000, 0.0000565950309369 ] forces: - [ 0.0001739700000000, 0.0001925700000000, 0.0002662000000000 ] - [ 0.0002245700000000, 0.0000397900000000, 0.0002138200000000 ] - [ -0.0001293800000000, -0.0004281200000000, -0.0005017600000000 ] - [ -0.0034013800000000, 0.0004767600000000, 0.0013366400000000 ] - [ -0.0750445500000000, 0.0020645800000000, 0.0168774400000000 ] - [ -0.0000609300000000, 0.0004321100000000, 0.0001244300000000 ] - [ -0.0007143300000000, 0.0004957800000000, -0.0001625700000000 ] - [ 0.0000755200000000, -0.0003506700000000, 0.0000252400000000 ] - [ 0.0005385500000000, 0.0005017200000000, 0.0000771600000000 ] - [ -0.0004091200000000, 0.0004630100000000, -0.0000396200000000 ] - [ 0.1217057800000000, 0.0139199900000000, -0.0063422000000000 ] - [ -0.0000477100000000, -0.0001669700000000, -0.0000312500000000 ] - [ -0.0000610900000000, 0.0000471500000000, -0.0001536100000000 ] - [ 0.0001027100000000, -0.0001992000000000, 0.0002710500000000 ] - [ 0.0001277600000000, 0.0002495600000000, 0.0000905500000000 ] - [ -0.0007474800000000, -0.0005279100000000, -0.0007772900000000 ] - [ 0.0013008800000000, -0.0012467000000000, -0.0003633200000000 ] - [ 0.0005315800000000, -0.0004847300000000, -0.0002662000000000 ] - [ -0.0001342100000000, -0.0000520300000000, 0.0002735900000000 ] - [ -0.0000258200000000, 0.0000263700000000, 0.0000213200000000 ] - [ 0.0000733200000000, 0.0001568000000000, -0.0000842800000000 ] - [ 0.0000346000000000, 0.0000260300000000, -0.0001271600000000 ] - [ 0.0000837900000000, -0.0002404100000000, 0.0001285400000000 ] - [ -0.0063906500000000, 0.0047719500000000, -0.0045727300000000 ] - [ -0.0001053800000000, -0.0001800100000000, 0.0000056400000000 ] - [ 0.0001506500000000, -0.0001851700000000, 0.0005146500000000 ] - [ 0.0000418200000000, -0.0001478900000000, 0.0001593300000000 ] - [ 0.0001038900000000, -0.0000921700000000, 0.0002359900000000 ] - [ -0.0002195700000000, -0.0002200000000000, -0.0001908100000000 ] - [ -0.0001046700000000, -0.0001343700000000, 0.0000601700000000 ] - [ -0.0131939300000000, -0.0114159800000000, 0.0014477800000000 ] - [ 0.0002107200000000, -0.0006924500000000, -0.0002587400000000 ] - [ -0.0001345200000000, -0.0003014900000000, -0.0000956700000000 ] - [ 0.0000932500000000, 0.0002510200000000, -0.0000800900000000 ] - [ -0.0004904800000000, 0.0001685800000000, -0.0003125500000000 ] - [ -0.0095431900000000, -0.0025375500000000, -0.0015346800000000 ] - [ 0.0000381000000000, -0.0000586100000000, 0.0003070500000000 ] - [ -0.0011738800000000, -0.0060306200000000, 0.0009031300000000 ] - [ -0.0000402800000000, -0.0001089000000000, 0.0000441600000000 ] - [ 0.0002463800000000, 0.0000567600000000, -0.0002641400000000 ] - [ 0.0006428800000000, -0.0003607600000000, -0.0007831500000000 ] - [ 0.0000064800000000, 0.0001990000000000, -0.0001646200000000 ] - [ 0.0002152800000000, -0.0000599300000000, 0.0000373100000000 ] - [ 0.0001898300000000, -0.0004385800000000, -0.0002618000000000 ] - [ 0.0000255600000000, -0.0001626700000000, 0.0001510400000000 ] - [ -0.0001693800000000, -0.0001718500000000, -0.0001059000000000 ] - [ -0.0001805600000000, 0.0000292700000000, -0.0000243300000000 ] - [ -0.0032642600000000, 0.0007745500000000, 0.0014745900000000 ] - [ -0.0001669100000000, -0.0003230400000000, -0.0001817400000000 ] - [ -0.0000726600000000, -0.0000962400000000, -0.0001460000000000 ] - [ 0.0001162900000000, 0.0001248300000000, -0.0001380700000000 ] - [ 0.0001743500000000, -0.0000933400000000, -0.0001614300000000 ] - [ -0.0000971800000000, 0.0001814000000000, -0.0002282800000000 ] - [ 0.0001796800000000, 0.0007083400000000, 0.0015206500000000 ] - [ -0.0009608000000000, 0.0013310900000000, 0.0001913500000000 ] - [ -0.0001032700000000, 0.0003469000000000, 0.0004572900000000 ] - [ 0.0000113600000000, 0.0000178700000000, -0.0001725000000000 ] - [ -0.0000870500000000, -0.0001423000000000, 0.0001695600000000 ] - [ 0.0003139100000000, 0.0002322100000000, -0.0002609700000000 ] - [ -0.0001252000000000, -0.0001684900000000, 0.0001421700000000 ] - [ -0.0002419300000000, -0.0004000000000000, 0.0001408500000000 ] - [ 0.0005436300000000, 0.0004801600000000, -0.0001431400000000 ] - [ -0.0058774100000000, 0.0050518800000000, -0.0035307100000000 ] - [ 0.0003001800000000, 0.0002695300000000, -0.0000513100000000 ] - [ 0.0000035100000000, -0.0000406300000000, -0.0001348100000000 ] - [ -0.0000511000000000, 0.0001598900000000, -0.0000627000000000 ] - [ 0.0001836300000000, 0.0003630100000000, 0.0001256600000000 ] - [ 0.0000799700000000, 0.0002290300000000, -0.0000168900000000 ] - [ 0.0000474800000000, 0.0002455000000000, -0.0000263800000000 ] - [ -0.0001966900000000, -0.0002188400000000, 0.0007550900000000 ] - [ 0.0002028100000000, 0.0002581800000000, -0.0004821700000000 ] - [ -0.0012123300000000, 0.0005494400000000, -0.0030494900000000 ] - [ 0.0000414400000000, -0.0002859400000000, 0.0000209200000000 ] - [ 0.0000581500000000, 0.0000169600000000, 0.0002173500000000 ] - [ 0.0003838800000000, 0.0000807700000000, 0.0003832900000000 ] - [ -0.0024096200000000, 0.0003692700000000, -0.0000331000000000 ] - [ -0.0005464100000000, -0.0001229700000000, 0.0001548800000000 ] - [ -0.0001032300000000, -0.0001270300000000, 0.0001069700000000 ] - [ -0.0006306700000000, 0.0005414600000000, -0.0004783300000000 ] - [ -0.0000420400000000, -0.0002043400000000, -0.0000422000000000 ] - [ 0.0003997200000000, 0.0000542600000000, -0.0000983900000000 ] - [ 0.0003513500000000, -0.0001678700000000, 0.0003904800000000 ] - [ -0.0005174800000000, 0.0006977100000000, 0.0000184800000000 ] - [ -0.0011004500000000, -0.0082662500000000, -0.0029047300000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001270700000000, 0.0002308700000000, 0.0001550300000000 ] - [ 0.0001374600000000, 0.0001369600000000, 0.0001675700000000 ] - [ -0.0000584400000000, -0.0002389700000000, -0.0000812800000000 ] - [ -0.0007471100000000, 0.0019078800000000, 0.0007227800000000 ] - [ 0.0024743400000000, 0.0109953500000000, 0.0010539600000000 ] - [ -0.0000498900000000, 0.0003478400000000, -0.0000139800000000 ] - [ -0.0002526000000000, 0.0002597200000000, 0.0002584200000000 ] - [ 0.0000756000000000, -0.0003251500000000, 0.0002867100000000 ] - [ -0.0001588000000000, 0.0000165300000000, -0.0006006700000000 ] - [ -0.0005592600000000, 0.0005202000000000, 0.0000983300000000 ] - [ -0.0143323100000000, -0.1232594100000000, -0.0066030800000000 ] - [ -0.0000475100000000, -0.0001551300000000, -0.0000239800000000 ] - [ -0.0000060500000000, 0.0001409200000000, -0.0001879600000000 ] - [ 0.0001099800000000, -0.0001860600000000, 0.0002405700000000 ] - [ 0.0001391300000000, 0.0003632800000000, 0.0001237200000000 ] - [ 0.0005533800000000, -0.0006177000000000, 0.0000295900000000 ] - [ 0.0017351900000000, -0.0014659200000000, -0.0006646900000000 ] - [ 0.0002414600000000, -0.0006787100000000, -0.0004785400000000 ] - [ 0.0000457200000000, 0.0000018800000000, -0.0000832400000000 ] - [ -0.0000107400000000, -0.0000052200000000, 0.0000237300000000 ] - [ 0.0000718200000000, 0.0001172100000000, 0.0000035000000000 ] - [ 0.0000350600000000, 0.0000933700000000, -0.0000488000000000 ] - [ 0.0000045200000000, -0.0002155100000000, 0.0001078400000000 ] - [ -0.0032490700000000, 0.0001748600000000, -0.0001487000000000 ] - [ 0.0003036000000000, -0.0001740300000000, -0.0000946800000000 ] - [ 0.0001127900000000, -0.0001987200000000, -0.0000572900000000 ] - [ 0.0000082400000000, -0.0001390700000000, 0.0001548600000000 ] - [ 0.0001774700000000, -0.0002480100000000, 0.0000203800000000 ] - [ -0.0002044900000000, -0.0001899400000000, -0.0001843100000000 ] - [ -0.0001203500000000, -0.0001477200000000, 0.0001266300000000 ] - [ 0.0057723200000000, 0.0806746200000000, 0.0098357200000000 ] - [ 0.0001807400000000, 0.0001120900000000, 0.0002527600000000 ] - [ -0.0001347800000000, -0.0003162000000000, -0.0000873500000000 ] - [ 0.0000545900000000, 0.0001603700000000, -0.0001971000000000 ] - [ -0.0006624200000000, 0.0006678100000000, -0.0003318700000000 ] - [ 0.0017718300000000, 0.0090692000000000, -0.0017201900000000 ] - [ 0.0004536600000000, -0.0004128100000000, -0.0002020900000000 ] - [ 0.0098371600000000, 0.0018937600000000, -0.0008128500000000 ] - [ -0.0000356000000000, -0.0001090300000000, 0.0000432800000000 ] - [ 0.0001342400000000, 0.0001636600000000, -0.0001519500000000 ] - [ -0.0000474700000000, 0.0000712300000000, 0.0004311200000000 ] - [ -0.0000474000000000, 0.0001882800000000, -0.0001466700000000 ] - [ 0.0002419200000000, -0.0000963300000000, -0.0000441700000000 ] - [ 0.0001172600000000, 0.0000332100000000, -0.0000995900000000 ] - [ 0.0000200400000000, -0.0001452700000000, 0.0001337600000000 ] - [ -0.0001830500000000, -0.0001949900000000, -0.0000692800000000 ] - [ -0.0000111700000000, 0.0000577000000000, 0.0000823900000000 ] - [ -0.0000016400000000, -0.0002308700000000, 0.0001363500000000 ] - [ -0.0001694800000000, -0.0003367400000000, -0.0001681600000000 ] - [ -0.0001645100000000, -0.0001491700000000, -0.0001150300000000 ] - [ 0.0000917100000000, 0.0001721500000000, -0.0001365100000000 ] - [ -0.0000428800000000, -0.0001588700000000, 0.0002297100000000 ] - [ -0.0000378900000000, 0.0002109400000000, -0.0001792700000000 ] - [ -0.0007153900000000, 0.0023836000000000, 0.0000003500000000 ] - [ -0.0007052000000000, 0.0002104200000000, 0.0002771200000000 ] - [ -0.0004129500000000, 0.0001407300000000, 0.0002552400000000 ] - [ -0.0000954000000000, -0.0000147000000000, -0.0002630400000000 ] - [ -0.0000872800000000, -0.0001173700000000, 0.0001405800000000 ] - [ 0.0002053600000000, 0.0001235600000000, 0.0002002900000000 ] - [ -0.0001100600000000, -0.0001502100000000, 0.0001777300000000 ] - [ -0.0002434100000000, -0.0003886300000000, 0.0001279300000000 ] - [ -0.0066827200000000, 0.0095447900000000, -0.0049890200000000 ] - [ -0.0012619800000000, 0.0043495600000000, -0.0033829600000000 ] - [ -0.0002708200000000, 0.0011087900000000, 0.0008502600000000 ] - [ -0.0000000400000000, -0.0000396000000000, -0.0000998300000000 ] - [ -0.0001219000000000, 0.0000839100000000, -0.0001003500000000 ] - [ 0.0001741300000000, 0.0003255300000000, 0.0001769900000000 ] - [ 0.0002413900000000, 0.0001081900000000, 0.0001165300000000 ] - [ 0.0000535400000000, 0.0002121200000000, 0.0000069900000000 ] - [ 0.0001780900000000, -0.0002083600000000, -0.0002847800000000 ] - [ 0.0002308200000000, 0.0002847300000000, -0.0002714200000000 ] - [ 0.0029184300000000, 0.0018923200000000, 0.0040077700000000 ] - [ 0.0000577700000000, -0.0002751300000000, 0.0000480900000000 ] - [ 0.0000721000000000, 0.0000029900000000, 0.0002310100000000 ] - [ -0.0000652400000000, -0.0001083300000000, 0.0002645900000000 ] - [ -0.0003554000000000, 0.0043027900000000, 0.0007658300000000 ] - [ 0.0000979600000000, -0.0000834400000000, -0.0007013600000000 ] - [ -0.0001214100000000, -0.0001078400000000, 0.0001117000000000 ] - [ -0.0009838000000000, 0.0003411100000000, -0.0005393900000000 ] - [ -0.0000422200000000, -0.0002019700000000, -0.0000367900000000 ] - [ 0.0003396000000000, -0.0003261400000000, -0.0002602700000000 ] - [ 0.0003085300000000, -0.0001092600000000, 0.0004862900000000 ] - [ -0.0013747500000000, -0.0001173300000000, 0.0019007200000000 ] - [ 0.0050788300000000, -0.0015531500000000, -0.0002022100000000 ]- atom: 11 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002603900000000, 0.0001474800000000, 0.0002397200000000 ] - [ 0.0001617500000000, 0.0001223900000000, 0.0000669000000000 ] - [ -0.0001548800000000, -0.0001602000000000, -0.0004058600000000 ] - [ 0.0008414900000000, -0.0015709000000000, -0.0004772600000000 ] - [ -0.0022275700000000, -0.0108858400000000, -0.0009544800000000 ] - [ -0.0000626300000000, 0.0002089600000000, -0.0000457700000000 ] - [ 0.0000693400000000, 0.0000199300000000, 0.0000275900000000 ] - [ 0.0002708700000000, -0.0003422600000000, 0.0000562300000000 ] - [ -0.0000968800000000, 0.0002305000000000, 0.0008301300000000 ] - [ 0.0000941300000000, 0.0002886800000000, 0.0002288300000000 ] - [ 0.0131983000000000, 0.1193970400000000, 0.0053864300000000 ] - [ -0.0000782300000000, -0.0001653600000000, -0.0000388400000000 ] - [ -0.0000636000000000, 0.0000988100000000, -0.0001264900000000 ] - [ 0.0001028200000000, -0.0002131800000000, 0.0002471600000000 ] - [ 0.0001190200000000, 0.0002490800000000, 0.0000847000000000 ] - [ -0.0006838000000000, 0.0004502300000000, -0.0001644100000000 ] - [ -0.0016318100000000, 0.0020199400000000, 0.0007280500000000 ] - [ 0.0002253900000000, -0.0001197500000000, 0.0001612900000000 ] - [ -0.0000111900000000, 0.0000232400000000, -0.0000220700000000 ] - [ -0.0000237400000000, -0.0000199700000000, 0.0000800700000000 ] - [ 0.0000530200000000, 0.0002023200000000, 0.0000594600000000 ] - [ 0.0000287800000000, 0.0001255700000000, -0.0000259800000000 ] - [ 0.0001275200000000, -0.0001080700000000, -0.0000439000000000 ] - [ 0.0033560000000000, -0.0002193100000000, 0.0006504100000000 ] - [ -0.0003772800000000, -0.0000558700000000, -0.0002283200000000 ] - [ 0.0001194900000000, -0.0001201800000000, -0.0002919500000000 ] - [ 0.0000622000000000, -0.0001001000000000, 0.0001601100000000 ] - [ 0.0000825400000000, -0.0003608800000000, 0.0001859500000000 ] - [ -0.0001840400000000, -0.0001881400000000, -0.0002127500000000 ] - [ -0.0001152200000000, -0.0001163100000000, 0.0000964200000000 ] - [ -0.0052747200000000, -0.0767401800000000, -0.0092275100000000 ] - [ -0.0001241700000000, -0.0003288200000000, -0.0003195800000000 ] - [ -0.0001240400000000, -0.0002961800000000, -0.0001200800000000 ] - [ 0.0001760400000000, 0.0001576000000000, -0.0001487900000000 ] - [ 0.0005430600000000, -0.0003512400000000, 0.0002693100000000 ] - [ -0.0020392700000000, -0.0087963600000000, 0.0016939400000000 ] - [ -0.0001099800000000, 0.0000694300000000, 0.0004024300000000 ] - [ -0.0099114400000000, -0.0016456600000000, 0.0008492500000000 ] - [ -0.0000277900000000, -0.0001088400000000, 0.0000319800000000 ] - [ 0.0000742600000000, 0.0000733000000000, -0.0000474400000000 ] - [ 0.0004256200000000, -0.0004326500000000, -0.0000395400000000 ] - [ -0.0000250400000000, 0.0001251400000000, -0.0001212600000000 ] - [ -0.0000884900000000, 0.0002701000000000, 0.0002063800000000 ] - [ 0.0000936500000000, -0.0002651200000000, -0.0000974500000000 ] - [ 0.0000525800000000, -0.0001680900000000, 0.0001347100000000 ] - [ -0.0001596600000000, -0.0001471600000000, -0.0001330700000000 ] - [ 0.0000149400000000, 0.0000313200000000, 0.0001358600000000 ] - [ 0.0003190100000000, -0.0000335400000000, 0.0000934800000000 ] - [ -0.0001824500000000, -0.0003316700000000, -0.0001736600000000 ] - [ -0.0001355700000000, -0.0001107700000000, -0.0001192100000000 ] - [ 0.0000939100000000, 0.0001113900000000, -0.0001504400000000 ] - [ 0.0002282900000000, -0.0001262400000000, -0.0005186800000000 ] - [ -0.0001740900000000, 0.0001891100000000, -0.0003071000000000 ] - [ 0.0003721000000000, -0.0017422600000000, -0.0003397000000000 ] - [ 0.0007131400000000, -0.0002270100000000, -0.0003705400000000 ] - [ 0.0005592800000000, -0.0003118700000000, -0.0000994100000000 ] - [ -0.0000245300000000, 0.0000128000000000, -0.0002144300000000 ] - [ -0.0000979500000000, -0.0001663200000000, 0.0001456100000000 ] - [ 0.0001356200000000, 0.0002178200000000, 0.0000085000000000 ] - [ -0.0001213200000000, -0.0001676100000000, 0.0001677200000000 ] - [ -0.0002304500000000, -0.0004137300000000, 0.0002007300000000 ] - [ 0.0064371300000000, -0.0090060300000000, 0.0052578200000000 ] - [ 0.0010598200000000, -0.0037451800000000, 0.0031852000000000 ] - [ 0.0003662600000000, -0.0015144400000000, -0.0007864600000000 ] - [ -0.0000022100000000, -0.0000487900000000, -0.0001196700000000 ] - [ -0.0000311300000000, 0.0000847900000000, -0.0000580400000000 ] - [ 0.0001771200000000, 0.0003418600000000, 0.0001641000000000 ] - [ -0.0000037600000000, 0.0001557700000000, -0.0003361100000000 ] - [ 0.0000485800000000, 0.0001807600000000, 0.0000660200000000 ] - [ -0.0001734900000000, 0.0001242800000000, 0.0005054300000000 ] - [ 0.0002432200000000, 0.0005186700000000, -0.0000558000000000 ] - [ -0.0031646300000000, -0.0016187900000000, -0.0038469500000000 ] - [ 0.0000567500000000, -0.0002817400000000, 0.0000112400000000 ] - [ 0.0000474400000000, -0.0000011600000000, 0.0002464300000000 ] - [ -0.0000513400000000, 0.0001023000000000, -0.0007400300000000 ] - [ 0.0002196100000000, -0.0039394700000000, -0.0008191400000000 ] - [ -0.0002024400000000, -0.0004672800000000, 0.0006393100000000 ] - [ -0.0000882800000000, -0.0001278700000000, 0.0000892700000000 ] - [ 0.0009240300000000, -0.0006465000000000, 0.0002790800000000 ] - [ -0.0000598100000000, -0.0001907000000000, -0.0000363400000000 ] - [ -0.0001024000000000, 0.0000572100000000, 0.0000332700000000 ] - [ -0.0002406500000000, 0.0003468200000000, -0.0001714400000000 ] - [ 0.0015353800000000, 0.0005295400000000, -0.0014126300000000 ] - [ -0.0054079200000000, 0.0019614200000000, -0.0001379600000000 ]- atom: 11 displacement: [ -0.0027030911372206, 0.0000000000000000, 0.0096277358866911 ] forces: - [ 0.0002079800000000, 0.0000623400000000, 0.0002187100000000 ] - [ 0.0001728300000000, 0.0001243800000000, 0.0000926500000000 ] - [ -0.0000443000000000, -0.0001925700000000, -0.0002545400000000 ] - [ -0.0019268400000000, 0.0003845800000000, 0.0005288900000000 ] - [ -0.0458339300000000, 0.0008924300000000, 0.0191393400000000 ] - [ -0.0001095300000000, 0.0002819500000000, -0.0000115200000000 ] - [ -0.0008451800000000, 0.0001677600000000, 0.0004213400000000 ] - [ 0.0002199500000000, -0.0001897700000000, 0.0001258500000000 ] - [ -0.0006146100000000, -0.0012946200000000, -0.0000154200000000 ] - [ -0.0002238300000000, 0.0002876100000000, -0.0001507000000000 ] - [ 0.0380758100000000, -0.0019489000000000, -0.1031121500000000 ] - [ -0.0000569100000000, -0.0001553700000000, -0.0000405800000000 ] - [ -0.0000309800000000, 0.0001838900000000, -0.0000894800000000 ] - [ 0.0001313100000000, -0.0001944100000000, 0.0002514200000000 ] - [ 0.0001418300000000, 0.0003218200000000, 0.0000419900000000 ] - [ -0.0000052000000000, 0.0002516900000000, 0.0006966000000000 ] - [ 0.0009854600000000, -0.0007328400000000, -0.0001354400000000 ] - [ 0.0004922900000000, 0.0000203500000000, -0.0002331300000000 ] - [ 0.0000280600000000, 0.0000621000000000, -0.0001007900000000 ] - [ -0.0000342300000000, -0.0000120400000000, 0.0000149700000000 ] - [ 0.0000892500000000, 0.0001902600000000, 0.0001163100000000 ] - [ 0.0000527500000000, 0.0001056300000000, -0.0000151700000000 ] - [ -0.0001427700000000, 0.0000623200000000, -0.0004126500000000 ] - [ -0.0026128300000000, 0.0042734100000000, -0.0017037900000000 ] - [ -0.0001977600000000, -0.0002798800000000, 0.0000924100000000 ] - [ 0.0003066000000000, -0.0002356500000000, -0.0002887000000000 ] - [ 0.0000781800000000, -0.0001071300000000, 0.0001515000000000 ] - [ -0.0000210700000000, -0.0003443500000000, 0.0001777200000000 ] - [ -0.0002319600000000, -0.0001839800000000, -0.0002094200000000 ] - [ -0.0000374500000000, -0.0001538800000000, 0.0001522800000000 ] - [ -0.0028964000000000, 0.0190420800000000, 0.0135332900000000 ] - [ 0.0006643800000000, -0.0001409800000000, -0.0005446400000000 ] - [ -0.0001227400000000, -0.0003012100000000, -0.0000891800000000 ] - [ 0.0001729400000000, 0.0001237700000000, -0.0002146800000000 ] - [ 0.0000450900000000, 0.0003713000000000, 0.0002245400000000 ] - [ 0.0072211400000000, -0.0078621100000000, 0.0607909700000000 ] - [ 0.0002743800000000, -0.0001004900000000, 0.0001206300000000 ] - [ 0.0008624700000000, -0.0004816000000000, -0.0005073100000000 ] - [ -0.0000356700000000, -0.0001042000000000, 0.0000523900000000 ] - [ 0.0000150800000000, 0.0001405500000000, -0.0000234100000000 ] - [ 0.0007133800000000, 0.0000694400000000, 0.0009035200000000 ] - [ 0.0000002200000000, 0.0000854600000000, 0.0000017600000000 ] - [ 0.0002110600000000, -0.0000852400000000, 0.0003184200000000 ] - [ 0.0002243000000000, -0.0004788900000000, -0.0002887600000000 ] - [ 0.0000361800000000, -0.0001641300000000, 0.0001212100000000 ] - [ -0.0001719200000000, -0.0001800600000000, -0.0000630000000000 ] - [ 0.0000876900000000, 0.0000659600000000, -0.0000827100000000 ] - [ -0.0014753000000000, 0.0003652200000000, 0.0001663900000000 ] - [ -0.0001799500000000, -0.0003298200000000, -0.0001762500000000 ] - [ -0.0001796600000000, -0.0001387600000000, -0.0000892300000000 ] - [ 0.0000619100000000, 0.0001311000000000, -0.0001567100000000 ] - [ 0.0001496900000000, -0.0002059600000000, -0.0004867500000000 ] - [ -0.0001691500000000, 0.0002016600000000, -0.0003359900000000 ] - [ 0.0003171900000000, -0.0015481700000000, 0.0015150800000000 ] - [ 0.0002478300000000, -0.0006901700000000, 0.0004139100000000 ] - [ -0.0000643700000000, -0.0000845200000000, 0.0000266100000000 ] - [ -0.0000804200000000, 0.0000001400000000, -0.0002866900000000 ] - [ -0.0000934600000000, -0.0001664400000000, 0.0001450800000000 ] - [ 0.0002939500000000, 0.0001471300000000, 0.0005733300000000 ] - [ -0.0001412700000000, -0.0001554600000000, 0.0001868600000000 ] - [ -0.0002764600000000, -0.0003917900000000, 0.0001333600000000 ] - [ 0.0000490200000000, -0.0008174500000000, 0.0017156300000000 ] - [ 0.0055787600000000, -0.0101339600000000, 0.0051974200000000 ] - [ 0.0002796800000000, 0.0006544100000000, -0.0003302700000000 ] - [ 0.0000181700000000, -0.0000530600000000, -0.0001309400000000 ] - [ -0.0001293600000000, 0.0002262700000000, -0.0001132200000000 ] - [ 0.0001802400000000, 0.0003194600000000, 0.0001929300000000 ] - [ 0.0001151900000000, 0.0002789600000000, -0.0000979000000000 ] - [ 0.0000545300000000, 0.0002046200000000, 0.0000048400000000 ] - [ -0.0006722700000000, -0.0004712000000000, 0.0001801800000000 ] - [ 0.0002370500000000, 0.0004024200000000, -0.0001881500000000 ] - [ 0.0023239700000000, 0.0064891900000000, -0.0027109800000000 ] - [ 0.0000486500000000, -0.0002792000000000, 0.0000001300000000 ] - [ 0.0000460600000000, -0.0000105700000000, 0.0002481700000000 ] - [ -0.0002895900000000, 0.0003752600000000, 0.0003869900000000 ] - [ -0.0010224500000000, 0.0009085500000000, 0.0008923400000000 ] - [ -0.0006536500000000, -0.0008835100000000, 0.0018684600000000 ] - [ -0.0001026400000000, -0.0001028500000000, 0.0001030200000000 ] - [ 0.0004596300000000, -0.0004871300000000, 0.0006784700000000 ] - [ -0.0000419200000000, -0.0001878800000000, -0.0000547000000000 ] - [ -0.0001813000000000, -0.0002272400000000, -0.0002353700000000 ] - [ 0.0002898700000000, 0.0001899100000000, 0.0000606200000000 ] - [ 0.0002696500000000, 0.0001668400000000, 0.0015554500000000 ] - [ -0.0005823000000000, -0.0053427900000000, -0.0005536400000000 ]- atom: 11 displacement: [ 0.0027030911372206, 0.0000000000000000, -0.0096277358866911 ] forces: - [ 0.0001789900000000, 0.0003176700000000, 0.0001840100000000 ] - [ 0.0001252000000000, 0.0001375000000000, 0.0001493500000000 ] - [ -0.0001813100000000, -0.0002104100000000, -0.0002335200000000 ] - [ 0.0020002400000000, -0.0000745600000000, -0.0002738500000000 ] - [ 0.0445497000000000, -0.0008200200000000, -0.0189741400000000 ] - [ -0.0000026700000000, 0.0002749700000000, -0.0000404800000000 ] - [ 0.0006711500000000, 0.0001242200000000, -0.0001394200000000 ] - [ 0.0001271700000000, -0.0004726700000000, 0.0002169300000000 ] - [ 0.0003702300000000, 0.0015554800000000, 0.0002470600000000 ] - [ -0.0002444400000000, 0.0005250000000000, 0.0004908100000000 ] - [ -0.0360452600000000, 0.0021375600000000, 0.1056734700000000 ] - [ -0.0000641500000000, -0.0001609600000000, -0.0000240100000000 ] - [ -0.0000373600000000, 0.0000532100000000, -0.0002266500000000 ] - [ 0.0000866100000000, -0.0002070400000000, 0.0002361900000000 ] - [ 0.0001138600000000, 0.0002843800000000, 0.0001657100000000 ] - [ -0.0001517900000000, -0.0004187400000000, -0.0008468000000000 ] - [ -0.0008671800000000, 0.0012905700000000, 0.0001815800000000 ] - [ -0.0000175400000000, -0.0008361300000000, -0.0000955700000000 ] - [ 0.0000085700000000, -0.0000377600000000, 0.0000028400000000 ] - [ -0.0000002400000000, -0.0000119700000000, 0.0000779000000000 ] - [ 0.0000324000000000, 0.0001258300000000, -0.0000519700000000 ] - [ 0.0000098000000000, 0.0001147600000000, -0.0000513800000000 ] - [ 0.0002643300000000, -0.0003804700000000, 0.0004720500000000 ] - [ 0.0027908700000000, -0.0043071000000000, 0.0022001300000000 ] - [ 0.0001295100000000, 0.0000444000000000, -0.0004032400000000 ] - [ -0.0000711600000000, -0.0000758200000000, -0.0000718100000000 ] - [ -0.0000083800000000, -0.0001291700000000, 0.0001644700000000 ] - [ 0.0002746800000000, -0.0002621900000000, 0.0000335000000000 ] - [ -0.0001559500000000, -0.0001967900000000, -0.0001947800000000 ] - [ -0.0002043700000000, -0.0001112400000000, 0.0000745900000000 ] - [ 0.0025202500000000, -0.0188810700000000, -0.0139322500000000 ] - [ -0.0006012300000000, -0.0000736000000000, 0.0004727500000000 ] - [ -0.0001333700000000, -0.0003050600000000, -0.0001165100000000 ] - [ 0.0000548500000000, 0.0001915200000000, -0.0001290300000000 ] - [ -0.0001709200000000, -0.0000570000000000, -0.0002869900000000 ] - [ -0.0083851500000000, 0.0081937700000000, -0.0638185100000000 ] - [ 0.0000725800000000, -0.0002487000000000, 0.0000736800000000 ] - [ -0.0008805400000000, 0.0007164200000000, 0.0005841900000000 ] - [ -0.0000277700000000, -0.0001155400000000, 0.0000159000000000 ] - [ 0.0001960000000000, 0.0001051600000000, -0.0001812700000000 ] - [ -0.0003372100000000, -0.0004468700000000, -0.0004692500000000 ] - [ -0.0000716800000000, 0.0002299600000000, -0.0002561500000000 ] - [ -0.0000533700000000, 0.0002477900000000, -0.0001599700000000 ] - [ -0.0000084900000000, 0.0002348700000000, 0.0000818300000000 ] - [ 0.0000360400000000, -0.0001515700000000, 0.0001351800000000 ] - [ -0.0001766200000000, -0.0001654100000000, -0.0001326700000000 ] - [ -0.0000774900000000, 0.0000200200000000, 0.0003090300000000 ] - [ 0.0017924800000000, -0.0006405500000000, 0.0000640700000000 ] - [ -0.0001660700000000, -0.0003345000000000, -0.0001639000000000 ] - [ -0.0001196200000000, -0.0001225400000000, -0.0001533900000000 ] - [ 0.0001208000000000, 0.0001491600000000, -0.0001281700000000 ] - [ 0.0000320800000000, -0.0000790500000000, 0.0001975200000000 ] - [ -0.0000483100000000, 0.0001998200000000, -0.0001500200000000 ] - [ -0.0006782300000000, 0.0022216900000000, -0.0018579100000000 ] - [ -0.0002333200000000, 0.0006679900000000, -0.0004991000000000 ] - [ 0.0002173700000000, -0.0000828000000000, 0.0001291200000000 ] - [ -0.0000456500000000, -0.0000088400000000, -0.0001868600000000 ] - [ -0.0000879100000000, -0.0001120500000000, 0.0001395700000000 ] - [ 0.0000449700000000, 0.0001961600000000, -0.0003752800000000 ] - [ -0.0000864900000000, -0.0001599700000000, 0.0001566000000000 ] - [ -0.0001971300000000, -0.0004176000000000, 0.0001984800000000 ] - [ -0.0002623600000000, 0.0010957100000000, -0.0013420300000000 ] - [ -0.0058563400000000, 0.0107714100000000, -0.0054816300000000 ] - [ -0.0001737700000000, -0.0010741800000000, 0.0004105000000000 ] - [ -0.0000215800000000, -0.0000330400000000, -0.0000965800000000 ] - [ -0.0000276800000000, -0.0000615700000000, -0.0000421900000000 ] - [ 0.0001642600000000, 0.0003436700000000, 0.0001466600000000 ] - [ 0.0001300100000000, -0.0000142300000000, -0.0001225200000000 ] - [ 0.0000490600000000, 0.0001876700000000, 0.0000787100000000 ] - [ 0.0006612900000000, 0.0003857400000000, 0.0000573800000000 ] - [ 0.0002365800000000, 0.0004069300000000, -0.0001418400000000 ] - [ -0.0025060300000000, -0.0062491500000000, 0.0029330400000000 ] - [ 0.0000645800000000, -0.0002768300000000, 0.0000528400000000 ] - [ 0.0000799400000000, 0.0000192400000000, 0.0002251000000000 ] - [ 0.0001629300000000, -0.0003612800000000, -0.0008463200000000 ] - [ 0.0009349700000000, -0.0005114300000000, -0.0009633800000000 ] - [ 0.0005408100000000, 0.0003185500000000, -0.0018856800000000 ] - [ -0.0001113800000000, -0.0001391900000000, 0.0001041400000000 ] - [ -0.0005239800000000, 0.0001774600000000, -0.0009279700000000 ] - [ -0.0000614600000000, -0.0002041300000000, -0.0000283000000000 ] - [ 0.0004136200000000, -0.0000366400000000, 0.0000051100000000 ] - [ -0.0002259400000000, 0.0000489000000000, 0.0002572600000000 ] - [ -0.0000518700000000, 0.0002309600000000, -0.0010673400000000 ] - [ 0.0002019900000000, 0.0057313100000000, 0.0001713700000000 ]- atom: 12 displacement: [ 0.0099998398488412, 0.0000000000000000, -0.0000565950309369 ] forces: - [ 0.0000799600000000, 0.0003944600000000, 0.0003050100000000 ] - [ 0.0000509900000000, 0.0001467100000000, 0.0000942700000000 ] - [ 0.0000218300000000, -0.0002457000000000, -0.0000865500000000 ] - [ 0.0000363800000000, 0.0001441200000000, 0.0001412800000000 ] - [ -0.0000108400000000, -0.0000028200000000, 0.0000672900000000 ] - [ -0.0000015100000000, 0.0003169400000000, -0.0001298500000000 ] - [ -0.0001008700000000, 0.0001353100000000, 0.0001461700000000 ] - [ 0.0001750000000000, -0.0003385900000000, -0.0001035900000000 ] - [ -0.0001008100000000, 0.0001494500000000, 0.0001153600000000 ] - [ -0.0002341200000000, 0.0003957400000000, 0.0001735500000000 ] - [ -0.0000132100000000, 0.0000606900000000, -0.0001066700000000 ] - [ -0.1119792700000000, 0.0210522300000000, 0.0021589700000000 ] - [ 0.0000118800000000, 0.0001463800000000, 0.0000199200000000 ] - [ 0.0195051200000000, -0.0202303800000000, 0.0146809600000000 ] - [ -0.0000200100000000, 0.0001959600000000, 0.0000603500000000 ] - [ -0.0000654100000000, -0.0001123200000000, -0.0000980400000000 ] - [ 0.0000445200000000, 0.0002893800000000, 0.0000246500000000 ] - [ 0.0005704900000000, -0.0001826000000000, -0.0001496400000000 ] - [ 0.0001106400000000, -0.0000616000000000, -0.0001652800000000 ] - [ 0.0000923100000000, 0.0000641800000000, -0.0001722700000000 ] - [ -0.0001353900000000, -0.0000568200000000, 0.0002850700000000 ] - [ 0.0001500800000000, 0.0000997400000000, 0.0000163800000000 ] - [ 0.0003169800000000, -0.0002006100000000, 0.0001844900000000 ] - [ 0.0000668900000000, 0.0000210600000000, 0.0002331400000000 ] - [ 0.0000584100000000, 0.0001684200000000, -0.0004401800000000 ] - [ 0.0000668700000000, -0.0001670800000000, -0.0002688200000000 ] - [ 0.0443478800000000, -0.0117086600000000, -0.0288149700000000 ] - [ 0.0000554400000000, -0.0003780600000000, 0.0002122300000000 ] - [ -0.0007321100000000, 0.0066495400000000, -0.0027907500000000 ] - [ -0.0034892000000000, 0.0015077100000000, 0.0014201300000000 ] - [ -0.0001413000000000, 0.0001295100000000, -0.0001142200000000 ] - [ 0.0000413900000000, -0.0000961000000000, 0.0000072300000000 ] - [ 0.0014308500000000, -0.0012931900000000, -0.0014837800000000 ] - [ 0.0000648100000000, 0.0001236300000000, -0.0002729100000000 ] - [ -0.0000555700000000, 0.0001570000000000, -0.0000306000000000 ] - [ -0.0001662400000000, 0.0001752400000000, -0.0001141600000000 ] - [ 0.0001218000000000, -0.0001535300000000, 0.0001632400000000 ] - [ -0.0000463000000000, 0.0001186400000000, 0.0000512100000000 ] - [ 0.0004108400000000, -0.0000998500000000, -0.0002787800000000 ] - [ 0.0001821500000000, 0.0000410000000000, -0.0001799100000000 ] - [ 0.0001999700000000, -0.0000771400000000, 0.0002935300000000 ] - [ 0.0000382400000000, -0.0001849400000000, -0.0000194400000000 ] - [ -0.0000475000000000, 0.0000639800000000, 0.0000286400000000 ] - [ 0.0000117400000000, -0.0000900600000000, -0.0001639000000000 ] - [ 0.0236066400000000, 0.0077015200000000, 0.0133894900000000 ] - [ 0.0002459900000000, -0.0003063400000000, -0.0000880800000000 ] - [ -0.0000222800000000, 0.0001064300000000, -0.0001086300000000 ] - [ 0.0002392500000000, -0.0001280800000000, 0.0000656400000000 ] - [ 0.0005814600000000, -0.0015375900000000, -0.0000229800000000 ] - [ -0.0003019700000000, -0.0003419800000000, -0.0000643900000000 ] - [ -0.0001010800000000, -0.0000974700000000, -0.0000193400000000 ] - [ 0.0000803500000000, -0.0001902400000000, -0.0001907100000000 ] - [ -0.0000058700000000, 0.0002171400000000, -0.0001000300000000 ] - [ -0.0001779800000000, 0.0003522200000000, -0.0001443100000000 ] - [ 0.0000517200000000, -0.0000019600000000, -0.0000624400000000 ] - [ 0.0000914800000000, -0.0001018200000000, 0.0000985700000000 ] - [ -0.0001214300000000, -0.0000305900000000, -0.0003970900000000 ] - [ 0.0018509800000000, -0.0040952800000000, 0.0002268300000000 ] - [ 0.0000521500000000, 0.0001678900000000, 0.0002933100000000 ] - [ 0.0014977600000000, -0.0038006500000000, 0.0044968900000000 ] - [ 0.0115832600000000, 0.0031947900000000, -0.0020675200000000 ] - [ -0.0001193200000000, 0.0001525700000000, 0.0001752600000000 ] - [ -0.0001413200000000, 0.0003117100000000, -0.0000988000000000 ] - [ 0.0000874600000000, -0.0001636100000000, -0.0000644300000000 ] - [ 0.0004338200000000, 0.0005554700000000, 0.0001237300000000 ] - [ 0.0005307800000000, -0.0020582600000000, 0.0009052600000000 ] - [ 0.0003003100000000, 0.0004462700000000, 0.0000943500000000 ] - [ 0.0002175700000000, 0.0002534800000000, -0.0000955300000000 ] - [ 0.0001394100000000, 0.0000897600000000, -0.0004774200000000 ] - [ -0.0000132200000000, -0.0000354800000000, 0.0001319800000000 ] - [ 0.0003141000000000, 0.0004634200000000, -0.0002529900000000 ] - [ -0.0000971800000000, 0.0000977400000000, 0.0000990700000000 ] - [ 0.0087905000000000, 0.0017525100000000, -0.0006734600000000 ] - [ -0.0000287300000000, -0.0005064800000000, 0.0006025300000000 ] - [ 0.0000114500000000, -0.0001014000000000, -0.0002435700000000 ] - [ -0.0000255500000000, 0.0001868000000000, -0.0000388600000000 ] - [ -0.0002763600000000, -0.0004636800000000, -0.0000609700000000 ] - [ -0.0001054300000000, 0.0001089200000000, -0.0000139500000000 ] - [ -0.0001574800000000, -0.0003227000000000, 0.0001454000000000 ] - [ 0.0001508800000000, 0.0008069800000000, -0.0005030700000000 ] - [ -0.0000226300000000, -0.0002579300000000, -0.0001515400000000 ] - [ 0.0000338400000000, 0.0001217000000000, 0.0001471700000000 ] - [ 0.0001063800000000, 0.0001954000000000, 0.0002372600000000 ] - [ -0.0002035400000000, 0.0001918400000000, -0.0001914500000000 ]- atom: 12 displacement: [ -0.0099998398488412, 0.0000000000000000, 0.0000565950309369 ] forces: - [ 0.0003098300000000, -0.0000119800000000, 0.0000903000000000 ] - [ 0.0002461800000000, 0.0001123400000000, 0.0001388600000000 ] - [ -0.0002325500000000, -0.0001574500000000, -0.0003984400000000 ] - [ 0.0000365300000000, 0.0001696200000000, 0.0001280500000000 ] - [ -0.0000235200000000, 0.0000276400000000, 0.0000382600000000 ] - [ -0.0001084300000000, 0.0002399300000000, 0.0000733600000000 ] - [ -0.0000858500000000, 0.0001476700000000, 0.0001390000000000 ] - [ 0.0001785100000000, -0.0003279800000000, 0.0004450500000000 ] - [ -0.0001356600000000, 0.0001133400000000, 0.0001057700000000 ] - [ -0.0002404700000000, 0.0004065300000000, 0.0001549700000000 ] - [ 0.0000124700000000, 0.0000271800000000, -0.0001115700000000 ] - [ 0.1101122400000000, -0.0210860100000000, -0.0013133200000000 ] - [ -0.0000818100000000, 0.0000939200000000, -0.0003360600000000 ] - [ -0.0192685200000000, 0.0199472300000000, -0.0143088400000000 ] - [ 0.0002801700000000, 0.0004178400000000, 0.0001480100000000 ] - [ -0.0000858900000000, -0.0000567400000000, -0.0000612000000000 ] - [ 0.0000682700000000, 0.0002683000000000, 0.0000352600000000 ] - [ -0.0000937500000000, -0.0006200000000000, -0.0001758700000000 ] - [ -0.0000767300000000, 0.0000863000000000, 0.0000585000000000 ] - [ -0.0001306700000000, -0.0000918900000000, 0.0002787500000000 ] - [ 0.0002563800000000, 0.0003729700000000, -0.0002223400000000 ] - [ -0.0000867000000000, 0.0001163000000000, -0.0000953500000000 ] - [ -0.0001885600000000, -0.0001177200000000, -0.0001211900000000 ] - [ 0.0000509600000000, -0.0000217000000000, 0.0002438600000000 ] - [ -0.0001343800000000, -0.0004068500000000, 0.0001323500000000 ] - [ 0.0001640900000000, -0.0001526000000000, -0.0000759700000000 ] - [ -0.0431881200000000, 0.0107149500000000, 0.0278487000000000 ] - [ 0.0002033000000000, -0.0002368700000000, -0.0000031400000000 ] - [ 0.0003469400000000, -0.0070343900000000, 0.0023680700000000 ] - [ 0.0032497500000000, -0.0018071400000000, -0.0011725300000000 ] - [ -0.0001563900000000, 0.0001291800000000, -0.0001194600000000 ] - [ 0.0000210900000000, -0.0001195400000000, -0.0000842800000000 ] - [ -0.0017309400000000, 0.0007022100000000, 0.0012846500000000 ] - [ 0.0001652000000000, 0.0001964100000000, -0.0000695300000000 ] - [ -0.0000695800000000, 0.0001636500000000, -0.0000337900000000 ] - [ -0.0001779100000000, 0.0001660500000000, -0.0000878200000000 ] - [ 0.0002213200000000, -0.0001882000000000, 0.0000399000000000 ] - [ -0.0000163700000000, 0.0000975200000000, 0.0000260400000000 ] - [ -0.0004851800000000, -0.0001177600000000, 0.0003529500000000 ] - [ 0.0000269100000000, 0.0001953300000000, -0.0000189200000000 ] - [ 0.0001891400000000, -0.0003007100000000, 0.0001019700000000 ] - [ -0.0001092500000000, 0.0004991600000000, -0.0002512800000000 ] - [ 0.0001970100000000, 0.0001066800000000, 0.0001324300000000 ] - [ 0.0001957800000000, -0.0001461600000000, -0.0000363900000000 ] - [ -0.0232970800000000, -0.0076679700000000, -0.0125700600000000 ] - [ -0.0005882000000000, -0.0000424800000000, -0.0001162300000000 ] - [ 0.0000231400000000, -0.0000201400000000, 0.0003264900000000 ] - [ 0.0000600000000000, -0.0001300500000000, 0.0001681500000000 ] - [ -0.0009025600000000, 0.0008524800000000, -0.0003081200000000 ] - [ 0.0000019900000000, 0.0000723400000000, -0.0001645800000000 ] - [ 0.0002883200000000, 0.0003808800000000, -0.0002651100000000 ] - [ 0.0001067700000000, -0.0000940400000000, -0.0000942200000000 ] - [ -0.0002044600000000, 0.0001792300000000, -0.0003881700000000 ] - [ -0.0001757700000000, 0.0003160200000000, -0.0001979400000000 ] - [ -0.0000169300000000, -0.0000226100000000, -0.0000422800000000 ] - [ 0.0000610200000000, -0.0000664200000000, 0.0000607500000000 ] - [ 0.0000035300000000, 0.0000298800000000, -0.0000789600000000 ] - [ -0.0020007800000000, 0.0037467600000000, 0.0000274500000000 ] - [ 0.0002919000000000, 0.0001732300000000, -0.0000922200000000 ] - [ -0.0017087400000000, 0.0035277900000000, -0.0041892200000000 ] - [ -0.0118520700000000, -0.0039534700000000, 0.0023318100000000 ] - [ -0.0001115500000000, 0.0001663700000000, 0.0001677800000000 ] - [ -0.0001184600000000, 0.0003022800000000, -0.0001088500000000 ] - [ 0.0000146800000000, -0.0002277000000000, 0.0001368900000000 ] - [ -0.0004326300000000, -0.0006441200000000, -0.0003453100000000 ] - [ -0.0006653100000000, 0.0022109500000000, -0.0010580300000000 ] - [ 0.0000520100000000, 0.0002242100000000, 0.0002486600000000 ] - [ 0.0000204300000000, 0.0000091400000000, -0.0001244900000000 ] - [ -0.0000428700000000, 0.0002955500000000, 0.0005556700000000 ] - [ 0.0000134200000000, -0.0000518500000000, 0.0000861900000000 ] - [ 0.0001576400000000, 0.0003389300000000, -0.0000743200000000 ] - [ -0.0001117200000000, 0.0001392700000000, 0.0001011200000000 ] - [ -0.0085378200000000, -0.0022568700000000, 0.0007610700000000 ] - [ 0.0001456500000000, 0.0005128900000000, -0.0001375300000000 ] - [ -0.0001296100000000, 0.0001005400000000, -0.0002349000000000 ] - [ -0.0000769300000000, 0.0002046100000000, -0.0000338900000000 ] - [ 0.0001612300000000, -0.0000949700000000, -0.0000015600000000 ] - [ -0.0001029800000000, -0.0003460200000000, 0.0002155000000000 ] - [ 0.0000835200000000, 0.0000079100000000, -0.0004130500000000 ] - [ -0.0002471300000000, -0.0011935100000000, 0.0004335100000000 ] - [ 0.0002579400000000, -0.0000062400000000, -0.0000686300000000 ] - [ 0.0000354800000000, 0.0001182800000000, 0.0001694800000000 ] - [ 0.0001057600000000, 0.0002054100000000, 0.0002531400000000 ] - [ -0.0001856300000000, 0.0001869600000000, -0.0002037500000000 ]- atom: 12 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001967600000000, 0.0002616300000000, 0.0002245700000000 ] - [ 0.0000838800000000, 0.0002412600000000, -0.0000457700000000 ] - [ -0.0001936400000000, -0.0000720200000000, -0.0004277900000000 ] - [ 0.0000306200000000, 0.0001582400000000, 0.0001229200000000 ] - [ -0.0000194200000000, 0.0000131900000000, 0.0000347300000000 ] - [ -0.0000302400000000, 0.0003443900000000, -0.0001246900000000 ] - [ -0.0000813300000000, 0.0001279800000000, 0.0001477500000000 ] - [ 0.0003075300000000, -0.0002861100000000, 0.0002471900000000 ] - [ -0.0001068900000000, 0.0001410900000000, 0.0001296000000000 ] - [ -0.0002513400000000, 0.0004077200000000, 0.0001623500000000 ] - [ 0.0000056300000000, 0.0000396400000000, -0.0001247900000000 ] - [ 0.0211709700000000, -0.1110676600000000, -0.0000865900000000 ] - [ -0.0000147100000000, 0.0001232000000000, 0.0000475000000000 ] - [ -0.0111302000000000, 0.0431590600000000, -0.0274965500000000 ] - [ 0.0000306900000000, 0.0001659700000000, 0.0000123800000000 ] - [ -0.0000771400000000, -0.0001042000000000, -0.0000338300000000 ] - [ 0.0000438800000000, 0.0002741500000000, 0.0000135400000000 ] - [ 0.0001987200000000, -0.0002164900000000, -0.0003918200000000 ] - [ -0.0000704500000000, -0.0002438500000000, -0.0002483400000000 ] - [ 0.0000492500000000, 0.0001832500000000, -0.0002859700000000 ] - [ -0.0001706600000000, -0.0000518700000000, 0.0001458800000000 ] - [ 0.0002948600000000, -0.0000508000000000, 0.0000905800000000 ] - [ 0.0000849500000000, -0.0002395800000000, 0.0000528600000000 ] - [ 0.0000632800000000, -0.0000074700000000, 0.0002396500000000 ] - [ -0.0002821500000000, -0.0002089200000000, 0.0000391800000000 ] - [ 0.0001030800000000, -0.0001256300000000, -0.0003350200000000 ] - [ -0.0207250700000000, 0.0189450600000000, 0.0152739600000000 ] - [ 0.0000494700000000, -0.0002334000000000, 0.0000936400000000 ] - [ 0.0015462000000000, 0.0087417100000000, -0.0010213800000000 ] - [ 0.0036442300000000, 0.0123087200000000, -0.0018223800000000 ] - [ -0.0001619300000000, 0.0001297700000000, -0.0001063000000000 ] - [ 0.0000272600000000, -0.0001141100000000, -0.0000137900000000 ] - [ -0.0014067000000000, 0.0005424100000000, -0.0000186400000000 ] - [ 0.0000762400000000, 0.0001104700000000, -0.0002832200000000 ] - [ -0.0000405000000000, 0.0001498800000000, -0.0000403700000000 ] - [ -0.0001845800000000, 0.0001816200000000, -0.0000841400000000 ] - [ 0.0001480600000000, -0.0001461400000000, 0.0001606900000000 ] - [ -0.0000255600000000, 0.0001139300000000, 0.0000203100000000 ] - [ 0.0005680900000000, 0.0003032900000000, 0.0003412700000000 ] - [ 0.0001606700000000, 0.0002000100000000, -0.0000941400000000 ] - [ 0.0002692000000000, -0.0002165600000000, 0.0003504200000000 ] - [ -0.0001290200000000, 0.0002560900000000, -0.0006153900000000 ] - [ 0.0001059200000000, 0.0000201600000000, 0.0000605700000000 ] - [ 0.0001212400000000, -0.0000891200000000, -0.0001511900000000 ] - [ 0.0079336800000000, 0.0228408800000000, 0.0132446100000000 ] - [ 0.0000603000000000, -0.0002042300000000, -0.0002064600000000 ] - [ -0.0000781300000000, -0.0000178200000000, -0.0001209400000000 ] - [ 0.0001807000000000, -0.0001408900000000, 0.0000510000000000 ] - [ -0.0011554800000000, 0.0010425200000000, -0.0014905600000000 ] - [ 0.0010190300000000, 0.0000643100000000, -0.0005514900000000 ] - [ -0.0001503300000000, -0.0000526000000000, 0.0001659300000000 ] - [ 0.0000467400000000, -0.0001719800000000, -0.0001766600000000 ] - [ -0.0001002800000000, 0.0002581800000000, -0.0002824300000000 ] - [ -0.0001656000000000, 0.0003263800000000, -0.0001776100000000 ] - [ -0.0000081100000000, -0.0000610400000000, -0.0000283200000000 ] - [ 0.0000655500000000, -0.0000433400000000, 0.0000548200000000 ] - [ -0.0000467200000000, 0.0000291700000000, -0.0003049100000000 ] - [ -0.0033972900000000, 0.0012641500000000, 0.0046045600000000 ] - [ 0.0002659100000000, 0.0000202900000000, 0.0002261600000000 ] - [ -0.0044746300000000, 0.0018538700000000, 0.0005401800000000 ] - [ 0.0019025900000000, -0.0035622600000000, 0.0015476900000000 ] - [ -0.0001206100000000, 0.0001533500000000, 0.0001745500000000 ] - [ -0.0001197200000000, 0.0002896100000000, -0.0000840200000000 ] - [ 0.0000696800000000, -0.0001803600000000, 0.0000159700000000 ] - [ 0.0000062900000000, 0.0004681800000000, -0.0003518400000000 ] - [ -0.0023330900000000, 0.0006242300000000, 0.0009686800000000 ] - [ 0.0002477900000000, 0.0004480200000000, 0.0002950000000000 ] - [ 0.0001392900000000, 0.0002043600000000, -0.0001742000000000 ] - [ -0.0003922700000000, 0.0002512200000000, 0.0001797800000000 ] - [ 0.0000054500000000, -0.0000780800000000, 0.0001653300000000 ] - [ 0.0002562000000000, 0.0004662000000000, -0.0002473100000000 ] - [ -0.0001203200000000, 0.0001240300000000, 0.0001160100000000 ] - [ 0.0070989000000000, -0.0005793800000000, -0.0028954900000000 ] - [ -0.0004791000000000, -0.0000943100000000, 0.0006136000000000 ] - [ 0.0001040800000000, 0.0000191600000000, -0.0002038800000000 ] - [ -0.0000492000000000, 0.0002003100000000, -0.0000443500000000 ] - [ 0.0000062700000000, -0.0003058500000000, 0.0000388200000000 ] - [ -0.0002810500000000, 0.0003219200000000, 0.0001521600000000 ] - [ -0.0000248100000000, -0.0001511100000000, -0.0001610600000000 ] - [ -0.0001790400000000, -0.0002215500000000, 0.0000741500000000 ] - [ 0.0000253900000000, -0.0000710200000000, -0.0000960100000000 ] - [ 0.0000441500000000, 0.0001112400000000, 0.0001548500000000 ] - [ 0.0001234000000000, 0.0001867000000000, 0.0002613500000000 ] - [ -0.0002047400000000, 0.0001975600000000, -0.0002070900000000 ]- atom: 12 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001881300000000, 0.0001184300000000, 0.0001918800000000 ] - [ 0.0002224300000000, 0.0000216700000000, 0.0002818400000000 ] - [ -0.0000359900000000, -0.0003220100000000, -0.0000657000000000 ] - [ 0.0000417900000000, 0.0001616100000000, 0.0001203200000000 ] - [ -0.0000167600000000, 0.0000092300000000, 0.0000533400000000 ] - [ -0.0000798800000000, 0.0002221800000000, 0.0000929900000000 ] - [ -0.0000933800000000, 0.0001498400000000, 0.0001385400000000 ] - [ 0.0000276700000000, -0.0003726700000000, 0.0000913200000000 ] - [ -0.0001374400000000, 0.0001379900000000, 0.0001051300000000 ] - [ -0.0002349300000000, 0.0004038200000000, 0.0001822500000000 ] - [ -0.0000121600000000, 0.0000381500000000, -0.0001205500000000 ] - [ -0.0209790100000000, 0.1090506000000000, 0.0008852200000000 ] - [ -0.0000604400000000, 0.0001009500000000, -0.0003720700000000 ] - [ 0.0106200600000000, -0.0424851900000000, 0.0267471600000000 ] - [ 0.0002198100000000, 0.0004263300000000, 0.0001898700000000 ] - [ -0.0000691800000000, -0.0000697900000000, -0.0001069800000000 ] - [ 0.0000633900000000, 0.0002890400000000, 0.0000207100000000 ] - [ 0.0002893900000000, -0.0005982700000000, 0.0000499100000000 ] - [ 0.0001066200000000, 0.0002655200000000, 0.0001584900000000 ] - [ -0.0000881900000000, -0.0002103600000000, 0.0003744900000000 ] - [ 0.0002743400000000, 0.0003538100000000, -0.0000746000000000 ] - [ -0.0002296700000000, 0.0002748700000000, -0.0001446000000000 ] - [ 0.0000184000000000, -0.0000628600000000, 0.0000165500000000 ] - [ 0.0000684100000000, -0.0000075400000000, 0.0002271700000000 ] - [ 0.0002023000000000, -0.0000190900000000, -0.0003612900000000 ] - [ 0.0001286900000000, -0.0001853300000000, -0.0000106800000000 ] - [ 0.0209077200000000, -0.0191305500000000, -0.0150643700000000 ] - [ 0.0002022700000000, -0.0003629500000000, 0.0001113700000000 ] - [ -0.0018812500000000, -0.0089805600000000, 0.0006346300000000 ] - [ -0.0038500600000000, -0.0123814400000000, 0.0019971500000000 ] - [ -0.0001445400000000, 0.0001346500000000, -0.0001322400000000 ] - [ 0.0000343000000000, -0.0001094100000000, -0.0000405000000000 ] - [ 0.0011391600000000, -0.0011025800000000, -0.0001694800000000 ] - [ 0.0001553900000000, 0.0002009000000000, -0.0000607800000000 ] - [ -0.0000638400000000, 0.0001518800000000, -0.0000319700000000 ] - [ -0.0001762300000000, 0.0001744000000000, -0.0000967200000000 ] - [ 0.0002110900000000, -0.0002088400000000, 0.0000212700000000 ] - [ -0.0000353900000000, 0.0001099500000000, 0.0000340300000000 ] - [ -0.0006290900000000, -0.0005269100000000, -0.0002930400000000 ] - [ 0.0000630500000000, 0.0000521900000000, -0.0001245300000000 ] - [ 0.0001155400000000, -0.0001652000000000, 0.0000694600000000 ] - [ 0.0000515100000000, 0.0000588500000000, 0.0003768500000000 ] - [ 0.0000383600000000, 0.0001538400000000, 0.0000839900000000 ] - [ 0.0001035800000000, -0.0001611400000000, -0.0000677800000000 ] - [ -0.0075170400000000, -0.0229411600000000, -0.0124626000000000 ] - [ -0.0004210800000000, -0.0001513100000000, 0.0000276400000000 ] - [ 0.0000827800000000, 0.0000977000000000, 0.0003686000000000 ] - [ 0.0001266400000000, -0.0001239100000000, 0.0001875800000000 ] - [ 0.0008444700000000, -0.0017385300000000, 0.0011648500000000 ] - [ -0.0013203500000000, -0.0003215200000000, 0.0003169300000000 ] - [ 0.0003204800000000, 0.0003266500000000, -0.0004540400000000 ] - [ 0.0001269600000000, -0.0001066300000000, -0.0001115500000000 ] - [ -0.0001295100000000, 0.0001365900000000, -0.0002082500000000 ] - [ -0.0001693100000000, 0.0003332700000000, -0.0001576300000000 ] - [ 0.0000440600000000, 0.0000379400000000, -0.0000600800000000 ] - [ 0.0000811600000000, -0.0001298500000000, 0.0000874800000000 ] - [ -0.0000846800000000, -0.0000443500000000, -0.0001614900000000 ] - [ 0.0032707600000000, -0.0015289700000000, -0.0043540600000000 ] - [ 0.0000961400000000, 0.0003352000000000, -0.0000450200000000 ] - [ 0.0041738200000000, -0.0021352300000000, -0.0002206800000000 ] - [ -0.0024247500000000, 0.0027481200000000, -0.0011741600000000 ] - [ -0.0001105800000000, 0.0001577600000000, 0.0001696600000000 ] - [ -0.0001323000000000, 0.0003031000000000, -0.0001176600000000 ] - [ 0.0000339600000000, -0.0002161300000000, 0.0000693300000000 ] - [ -0.0000142500000000, -0.0005583900000000, 0.0001025100000000 ] - [ 0.0021722800000000, -0.0004331000000000, -0.0011023600000000 ] - [ 0.0000817800000000, 0.0002133400000000, 0.0000421000000000 ] - [ 0.0001047400000000, 0.0000764000000000, -0.0000619600000000 ] - [ 0.0004954900000000, 0.0001472900000000, -0.0000952000000000 ] - [ 0.0000014300000000, -0.0000009700000000, 0.0000819300000000 ] - [ 0.0002299600000000, 0.0003445000000000, -0.0000970700000000 ] - [ -0.0001046300000000, 0.0001250200000000, 0.0001026000000000 ] - [ -0.0069912800000000, 0.0000236700000000, 0.0029044300000000 ] - [ 0.0006152500000000, 0.0001097500000000, -0.0001588900000000 ] - [ -0.0002342400000000, -0.0000044000000000, -0.0002636600000000 ] - [ -0.0000551100000000, 0.0001955800000000, -0.0000417800000000 ] - [ -0.0001152000000000, -0.0002575200000000, -0.0000761500000000 ] - [ 0.0000495300000000, -0.0005706800000000, 0.0000655600000000 ] - [ -0.0000468300000000, -0.0001685400000000, -0.0000823500000000 ] - [ 0.0000635100000000, -0.0001774300000000, -0.0001554900000000 ] - [ 0.0002191700000000, -0.0002061000000000, -0.0001372900000000 ] - [ 0.0000322200000000, 0.0001127300000000, 0.0001714600000000 ] - [ 0.0001087200000000, 0.0002091000000000, 0.0002312700000000 ] - [ -0.0001801500000000, 0.0001829600000000, -0.0002125900000000 ]- atom: 12 displacement: [ -0.0027030911372206, 0.0000000000000000, 0.0096277358866911 ] forces: - [ 0.0001487600000000, -0.0000797300000000, 0.0000630200000000 ] - [ 0.0003603300000000, 0.0002594900000000, 0.0000684600000000 ] - [ -0.0000947100000000, -0.0000670400000000, -0.0002887100000000 ] - [ 0.0000390100000000, 0.0001609200000000, 0.0001544600000000 ] - [ -0.0000149800000000, 0.0000244700000000, 0.0000635400000000 ] - [ -0.0002673100000000, 0.0000187500000000, -0.0001376200000000 ] - [ -0.0001037500000000, 0.0001372300000000, 0.0001416000000000 ] - [ 0.0000692800000000, -0.0002686500000000, 0.0002797100000000 ] - [ -0.0001018700000000, 0.0001136600000000, 0.0001092900000000 ] - [ -0.0002320400000000, 0.0003907200000000, 0.0001758000000000 ] - [ -0.0000016500000000, 0.0000510000000000, -0.0001092200000000 ] - [ 0.0300206600000000, -0.0063747400000000, -0.1090802400000000 ] - [ -0.0000445200000000, 0.0001155700000000, -0.0003076900000000 ] - [ 0.0076970900000000, -0.0277337800000000, 0.0359814500000000 ] - [ 0.0001793800000000, 0.0003078300000000, 0.0002184200000000 ] - [ -0.0001019600000000, -0.0000505900000000, -0.0001324500000000 ] - [ 0.0000494400000000, 0.0002878700000000, 0.0000388300000000 ] - [ -0.0000044200000000, -0.0004010300000000, -0.0005758600000000 ] - [ 0.0002120200000000, 0.0001770700000000, -0.0001564200000000 ] - [ 0.0000041800000000, -0.0000258400000000, -0.0001638700000000 ] - [ 0.0003664600000000, 0.0003304300000000, 0.0001779600000000 ] - [ -0.0001385400000000, 0.0001118500000000, -0.0002590800000000 ] - [ 0.0001449300000000, -0.0001684100000000, -0.0000377000000000 ] - [ 0.0000528000000000, -0.0000087800000000, 0.0002495300000000 ] - [ -0.0007033000000000, -0.0003456300000000, -0.0001441900000000 ] - [ 0.0001249500000000, -0.0002228800000000, -0.0001644400000000 ] - [ -0.0455743800000000, 0.0154283700000000, 0.0482528300000000 ] - [ -0.0000377400000000, -0.0004298500000000, 0.0000287400000000 ] - [ -0.0007198900000000, 0.0043101700000000, 0.0001364900000000 ] - [ -0.0006996800000000, -0.0071747900000000, 0.0042539500000000 ] - [ -0.0001544600000000, 0.0001136600000000, -0.0001091200000000 ] - [ 0.0000271000000000, -0.0002002400000000, 0.0000010000000000 ] - [ -0.0015468900000000, 0.0000382800000000, 0.0032392200000000 ] - [ 0.0000599600000000, 0.0000654900000000, -0.0002729500000000 ] - [ -0.0000675000000000, 0.0001674000000000, -0.0000236700000000 ] - [ -0.0001530700000000, 0.0001622400000000, -0.0000903500000000 ] - [ 0.0000861900000000, -0.0001146900000000, 0.0001700100000000 ] - [ -0.0000349300000000, 0.0001079800000000, 0.0000337400000000 ] - [ 0.0001457100000000, 0.0002014500000000, 0.0004960800000000 ] - [ 0.0001855600000000, 0.0001370000000000, 0.0000323000000000 ] - [ 0.0002236000000000, -0.0002402700000000, 0.0002690400000000 ] - [ 0.0000869300000000, 0.0000772300000000, 0.0003941500000000 ] - [ 0.0001758900000000, -0.0000708700000000, 0.0001876700000000 ] - [ 0.0000793400000000, 0.0000138300000000, -0.0000603800000000 ] - [ 0.0128806400000000, 0.0164571500000000, 0.0234231500000000 ] - [ -0.0009379400000000, -0.0002904600000000, 0.0000379700000000 ] - [ -0.0000838200000000, -0.0000430000000000, -0.0003068000000000 ] - [ 0.0001145700000000, -0.0001511900000000, 0.0001289800000000 ] - [ -0.0002352100000000, -0.0009902700000000, 0.0027002200000000 ] - [ -0.0000075200000000, 0.0004027100000000, -0.0000133900000000 ] - [ 0.0002295800000000, 0.0004640700000000, -0.0000145200000000 ] - [ 0.0001633600000000, -0.0002462900000000, -0.0001100400000000 ] - [ -0.0001213100000000, 0.0003138400000000, -0.0001962100000000 ] - [ -0.0001804200000000, 0.0003368800000000, -0.0001747200000000 ] - [ 0.0000362800000000, -0.0000365100000000, -0.0001526500000000 ] - [ -0.0000137000000000, -0.0001809000000000, 0.0000288800000000 ] - [ -0.0001573500000000, -0.0000307700000000, -0.0003363400000000 ] - [ 0.0031117200000000, 0.0009438300000000, -0.0048978800000000 ] - [ 0.0002575000000000, 0.0001089600000000, 0.0000715400000000 ] - [ -0.0005692900000000, 0.0044847500000000, -0.0060849000000000 ] - [ -0.0098136500000000, -0.0026917400000000, 0.0053009600000000 ] - [ -0.0001175600000000, 0.0001622600000000, 0.0001784000000000 ] - [ -0.0001346100000000, 0.0003102800000000, -0.0000994800000000 ] - [ 0.0000620100000000, -0.0001978600000000, 0.0000590200000000 ] - [ 0.0001494100000000, 0.0000757100000000, 0.0001685000000000 ] - [ 0.0004938600000000, 0.0013407500000000, -0.0012887500000000 ] - [ 0.0002546900000000, 0.0003020600000000, 0.0002710200000000 ] - [ 0.0001372900000000, 0.0003137000000000, -0.0002412200000000 ] - [ -0.0001659000000000, 0.0004032200000000, 0.0008130000000000 ] - [ 0.0001199700000000, -0.0000770000000000, 0.0002086800000000 ] - [ 0.0002397900000000, 0.0003999400000000, -0.0001267300000000 ] - [ -0.0000981400000000, 0.0001064900000000, 0.0000930500000000 ] - [ 0.0035686100000000, -0.0013084600000000, -0.0001443800000000 ] - [ 0.0008211900000000, 0.0008669500000000, -0.0024699600000000 ] - [ 0.0000200700000000, -0.0000503600000000, -0.0003220700000000 ] - [ -0.0000239600000000, 0.0001837600000000, -0.0000296200000000 ] - [ 0.0000780100000000, -0.0003259600000000, 0.0000716100000000 ] - [ -0.0002825100000000, -0.0007603400000000, 0.0002950400000000 ] - [ -0.0000076700000000, -0.0001789500000000, -0.0002240600000000 ] - [ 0.0003707000000000, -0.0003048300000000, 0.0001966500000000 ] - [ 0.0001537200000000, 0.0000470600000000, -0.0001196900000000 ] - [ 0.0000334700000000, 0.0001048600000000, 0.0001450000000000 ] - [ 0.0001030700000000, 0.0002024400000000, 0.0002452700000000 ] - [ -0.0001909100000000, 0.0002011000000000, -0.0001868600000000 ]- atom: 12 displacement: [ 0.0027030911372206, 0.0000000000000000, -0.0096277358866911 ] forces: - [ 0.0002428100000000, 0.0004544000000000, 0.0003311400000000 ] - [ -0.0000608500000000, -0.0000096400000000, 0.0001664800000000 ] - [ -0.0001150300000000, -0.0003345900000000, -0.0001996000000000 ] - [ 0.0000361800000000, 0.0001504200000000, 0.0001138500000000 ] - [ -0.0000170500000000, -0.0000010600000000, 0.0000390100000000 ] - [ 0.0001552600000000, 0.0005389700000000, 0.0000767600000000 ] - [ -0.0000825800000000, 0.0001459900000000, 0.0001406200000000 ] - [ 0.0002830400000000, -0.0003981100000000, 0.0000626100000000 ] - [ -0.0001326100000000, 0.0001504900000000, 0.0001142900000000 ] - [ -0.0002435100000000, 0.0004099900000000, 0.0001544400000000 ] - [ -0.0000024600000000, 0.0000392400000000, -0.0001092400000000 ] - [ -0.0321076900000000, 0.0059749200000000, 0.1106982000000000 ] - [ -0.0000261700000000, 0.0001251800000000, -0.0000136200000000 ] - [ -0.0078114700000000, 0.0280835600000000, -0.0360190900000000 ] - [ 0.0000846600000000, 0.0003092000000000, -0.0000124200000000 ] - [ -0.0000514300000000, -0.0001180800000000, -0.0000312100000000 ] - [ 0.0000619200000000, 0.0002736300000000, 0.0000206900000000 ] - [ 0.0004863700000000, -0.0004026000000000, 0.0002530100000000 ] - [ -0.0001861400000000, -0.0001479300000000, 0.0000535800000000 ] - [ -0.0000326800000000, 0.0000016400000000, 0.0002716000000000 ] - [ -0.0002380100000000, -0.0000022900000000, -0.0001119800000000 ] - [ 0.0001959100000000, 0.0001084000000000, 0.0001789200000000 ] - [ -0.0000197500000000, -0.0001508900000000, 0.0000982400000000 ] - [ 0.0000665200000000, 0.0000062000000000, 0.0002246200000000 ] - [ 0.0006350700000000, 0.0000982600000000, -0.0001785200000000 ] - [ 0.0001069900000000, -0.0000954000000000, -0.0001749300000000 ] - [ 0.0475965800000000, -0.0165652100000000, -0.0494223800000000 ] - [ 0.0002987300000000, -0.0001829200000000, 0.0001756200000000 ] - [ 0.0003492700000000, -0.0047213000000000, -0.0004614300000000 ] - [ 0.0003788400000000, 0.0068393100000000, -0.0040386300000000 ] - [ -0.0001423400000000, 0.0001423200000000, -0.0001272200000000 ] - [ 0.0000376500000000, -0.0000182100000000, -0.0000782600000000 ] - [ 0.0012947800000000, -0.0006415700000000, -0.0034598100000000 ] - [ 0.0001720500000000, 0.0002542300000000, -0.0000649000000000 ] - [ -0.0000584400000000, 0.0001537400000000, -0.0000438300000000 ] - [ -0.0001921100000000, 0.0001787700000000, -0.0001099800000000 ] - [ 0.0002587300000000, -0.0002274100000000, 0.0000298500000000 ] - [ -0.0000306600000000, 0.0001113000000000, 0.0000428400000000 ] - [ -0.0002173800000000, -0.0004287700000000, -0.0004259400000000 ] - [ 0.0000204400000000, 0.0001003400000000, -0.0002310400000000 ] - [ 0.0001705100000000, -0.0001399200000000, 0.0001270700000000 ] - [ -0.0001592600000000, 0.0002256100000000, -0.0006513800000000 ] - [ -0.0000220400000000, 0.0002430900000000, -0.0000277000000000 ] - [ 0.0001288400000000, -0.0002531400000000, -0.0001410000000000 ] - [ -0.0123391700000000, -0.0163287300000000, -0.0228504600000000 ] - [ 0.0005912600000000, -0.0000514900000000, -0.0002439700000000 ] - [ 0.0000890700000000, 0.0001312200000000, 0.0005302700000000 ] - [ 0.0001815200000000, -0.0001040200000000, 0.0001077100000000 ] - [ -0.0001057900000000, 0.0003333000000000, -0.0030547700000000 ] - [ -0.0002741100000000, -0.0006706200000000, -0.0002357300000000 ] - [ -0.0000333500000000, -0.0001765600000000, -0.0002721200000000 ] - [ 0.0000250500000000, -0.0000344300000000, -0.0001722700000000 ] - [ -0.0000889300000000, 0.0000864600000000, -0.0002941800000000 ] - [ -0.0001728200000000, 0.0003319600000000, -0.0001661800000000 ] - [ -0.0000042100000000, 0.0000140000000000, 0.0000522600000000 ] - [ 0.0001665700000000, 0.0000087800000000, 0.0001341400000000 ] - [ 0.0000385900000000, 0.0000307800000000, -0.0001362200000000 ] - [ -0.0033644200000000, -0.0012566300000000, 0.0051890200000000 ] - [ 0.0000876200000000, 0.0002339500000000, 0.0001253600000000 ] - [ 0.0003479600000000, -0.0048733500000000, 0.0064424600000000 ] - [ 0.0093646200000000, 0.0018732000000000, -0.0050046900000000 ] - [ -0.0001130700000000, 0.0001561600000000, 0.0001620200000000 ] - [ -0.0001254900000000, 0.0003036400000000, -0.0001073500000000 ] - [ 0.0000368000000000, -0.0001917400000000, 0.0000152200000000 ] - [ -0.0001584000000000, -0.0001720900000000, -0.0003870800000000 ] - [ -0.0006242800000000, -0.0011768600000000, 0.0011166800000000 ] - [ 0.0000950400000000, 0.0003654000000000, 0.0000683200000000 ] - [ 0.0000965000000000, -0.0000501000000000, 0.0000185000000000 ] - [ 0.0002509600000000, -0.0000097300000000, -0.0007153600000000 ] - [ -0.0001168700000000, -0.0000123500000000, 0.0000081200000000 ] - [ 0.0002357800000000, 0.0004014600000000, -0.0002025900000000 ] - [ -0.0001109800000000, 0.0001312300000000, 0.0001084300000000 ] - [ -0.0035022700000000, 0.0007536100000000, 0.0002261300000000 ] - [ -0.0007070600000000, -0.0008679500000000, 0.0029533000000000 ] - [ -0.0001422700000000, 0.0000524000000000, -0.0001529500000000 ] - [ -0.0000749400000000, 0.0002054500000000, -0.0000451300000000 ] - [ -0.0001930700000000, -0.0002361700000000, -0.0001323500000000 ] - [ 0.0000738200000000, 0.0005248600000000, -0.0000993900000000 ] - [ -0.0000653800000000, -0.0001335800000000, -0.0000403000000000 ] - [ -0.0004953500000000, -0.0000758100000000, -0.0002901200000000 ] - [ 0.0000793600000000, -0.0003118300000000, -0.0001032100000000 ] - [ 0.0000359600000000, 0.0001364900000000, 0.0001736000000000 ] - [ 0.0001068600000000, 0.0001992100000000, 0.0002456900000000 ] - [ -0.0002026000000000, 0.0001803200000000, -0.0002102000000000 ]- atom: 13 displacement: [ 0.0099998398488412, 0.0000000000000000, -0.0000565950309369 ] forces: - [ 0.0011741900000000, 0.0019465500000000, -0.0004531200000000 ] - [ 0.0000661900000000, 0.0001649200000000, -0.0003235900000000 ] - [ -0.0001007800000000, -0.0002012600000000, -0.0002437800000000 ] - [ 0.0003051700000000, 0.0004949700000000, -0.0001543800000000 ] - [ 0.0000347400000000, -0.0000169900000000, 0.0000974000000000 ] - [ 0.0059062600000000, 0.0012648800000000, 0.0080612500000000 ] - [ -0.0001787600000000, 0.0003149700000000, 0.0004630400000000 ] - [ 0.0001956000000000, -0.0003374300000000, 0.0001562000000000 ] - [ 0.0001753700000000, 0.0003924300000000, 0.0001322100000000 ] - [ -0.0010066500000000, 0.0005417700000000, 0.0001373100000000 ] - [ 0.0000256300000000, 0.0000734800000000, -0.0000996200000000 ] - [ -0.0000172500000000, -0.0001363000000000, -0.0000260500000000 ] - [ -0.1286666900000000, 0.0077280200000000, 0.0061816300000000 ] - [ 0.0001380000000000, -0.0002371600000000, 0.0001429000000000 ] - [ 0.0003805800000000, 0.0002198700000000, 0.0005152600000000 ] - [ -0.0002301700000000, -0.0002165500000000, -0.0013274600000000 ] - [ 0.0004177200000000, 0.0002973400000000, -0.0000392100000000 ] - [ 0.0002046700000000, -0.0004118900000000, -0.0001622700000000 ] - [ 0.0001868800000000, 0.0002284700000000, -0.0001293800000000 ] - [ -0.0000155300000000, -0.0000003400000000, 0.0000448900000000 ] - [ 0.0443167200000000, -0.0211783900000000, -0.0370386000000000 ] - [ -0.0001779300000000, 0.0007053800000000, 0.0000692600000000 ] - [ 0.0000613500000000, -0.0001628700000000, 0.0000294100000000 ] - [ -0.0000513100000000, 0.0001055400000000, 0.0002091900000000 ] - [ -0.0000237100000000, -0.0001243800000000, -0.0001535200000000 ] - [ 0.0001216900000000, -0.0001451100000000, -0.0001847200000000 ] - [ 0.0000874200000000, -0.0001611800000000, 0.0001027900000000 ] - [ 0.0001266400000000, -0.0003028600000000, 0.0001244700000000 ] - [ -0.0002820700000000, -0.0000966100000000, 0.0000257900000000 ] - [ -0.0001146700000000, -0.0002029300000000, 0.0001635100000000 ] - [ -0.0001898600000000, 0.0000876500000000, -0.0000423400000000 ] - [ 0.0000303600000000, -0.0000832400000000, -0.0000324100000000 ] - [ -0.0001509600000000, -0.0002125400000000, -0.0000126500000000 ] - [ 0.0017683700000000, -0.0011301600000000, -0.0001071500000000 ] - [ 0.0000334600000000, 0.0003970000000000, -0.0006875900000000 ] - [ -0.0000995800000000, 0.0001912900000000, -0.0000998800000000 ] - [ 0.0001794600000000, -0.0001591900000000, 0.0001025100000000 ] - [ 0.0000231700000000, 0.0001346000000000, 0.0000138600000000 ] - [ -0.0000717300000000, -0.0001964800000000, 0.0001706100000000 ] - [ 0.0000521500000000, -0.0000576300000000, 0.0002395200000000 ] - [ 0.0002163200000000, -0.0001733800000000, 0.0001985600000000 ] - [ -0.0040483300000000, -0.0017565400000000, -0.0064205900000000 ] - [ 0.0000902300000000, 0.0000769000000000, 0.0001005000000000 ] - [ 0.0001005800000000, -0.0001157900000000, -0.0001117000000000 ] - [ 0.0000408300000000, -0.0003412200000000, 0.0003737700000000 ] - [ -0.0001040800000000, -0.0000569400000000, -0.0001018900000000 ] - [ -0.0003134800000000, -0.0002295900000000, 0.0002901000000000 ] - [ 0.0001521500000000, -0.0001085400000000, 0.0001086700000000 ] - [ 0.0000412100000000, -0.0001696300000000, -0.0001109000000000 ] - [ -0.0003249300000000, 0.0000588700000000, 0.0000602000000000 ] - [ 0.0180751600000000, -0.0091288800000000, 0.0107623800000000 ] - [ 0.0001031200000000, -0.0001285700000000, -0.0001478600000000 ] - [ 0.0028522100000000, -0.0019113400000000, 0.0003922200000000 ] - [ -0.0003472400000000, 0.0002231300000000, -0.0000208900000000 ] - [ 0.0000044100000000, -0.0000825500000000, -0.0000800300000000 ] - [ -0.0049993500000000, -0.0006176200000000, -0.0013948600000000 ] - [ 0.0014022400000000, -0.0007619000000000, -0.0009498900000000 ] - [ 0.0000059900000000, -0.0001194400000000, 0.0002363900000000 ] - [ 0.0001182700000000, -0.0004001800000000, 0.0000026500000000 ] - [ 0.0000005900000000, -0.0000615200000000, 0.0001583700000000 ] - [ -0.0002876500000000, -0.0004621300000000, 0.0001559300000000 ] - [ -0.0001994600000000, 0.0001290200000000, 0.0002344100000000 ] - [ -0.0000193600000000, 0.0003953700000000, -0.0001505800000000 ] - [ 0.0000168300000000, -0.0001881100000000, 0.0000401800000000 ] - [ 0.0000711300000000, -0.0003843600000000, -0.0002603500000000 ] - [ -0.0000413000000000, 0.0000941500000000, -0.0001208500000000 ] - [ 0.0032881700000000, -0.0050063900000000, 0.0035554000000000 ] - [ 0.0010793600000000, 0.0003945500000000, 0.0009140100000000 ] - [ 0.0032762300000000, 0.0014215100000000, 0.0055140500000000 ] - [ -0.0000059900000000, -0.0000713400000000, 0.0001527800000000 ] - [ 0.0550747900000000, 0.0308117700000000, 0.0115680200000000 ] - [ 0.0000459600000000, -0.0000593300000000, 0.0001580700000000 ] - [ 0.0000293500000000, -0.0002844900000000, 0.0000768000000000 ] - [ -0.0000612700000000, -0.0000741200000000, 0.0002290800000000 ] - [ -0.0000640900000000, -0.0000123400000000, -0.0002542900000000 ] - [ -0.0002576800000000, 0.0002469600000000, 0.0000488500000000 ] - [ -0.0000558500000000, -0.0002681200000000, -0.0000316500000000 ] - [ -0.0000173500000000, -0.0000257900000000, -0.0000563500000000 ] - [ -0.0000257100000000, -0.0001535100000000, -0.0001391300000000 ] - [ -0.0004726200000000, -0.0003658100000000, 0.0000378500000000 ] - [ 0.0001157800000000, -0.0001271600000000, -0.0001203800000000 ] - [ 0.0010652800000000, 0.0001985400000000, -0.0005854000000000 ] - [ 0.0000552600000000, 0.0000326900000000, 0.0002630800000000 ] - [ -0.0003098300000000, 0.0000455300000000, -0.0004400000000000 ]- atom: 13 displacement: [ -0.0099998398488412, 0.0000000000000000, 0.0000565950309369 ] forces: - [ -0.0007939700000000, -0.0015629700000000, 0.0008510400000000 ] - [ 0.0002507600000000, 0.0000967000000000, 0.0005547900000000 ] - [ -0.0001268200000000, -0.0001923400000000, -0.0002490100000000 ] - [ -0.0002438100000000, -0.0001766900000000, 0.0004100300000000 ] - [ -0.0000714500000000, 0.0000404800000000, -0.0000016300000000 ] - [ -0.0060872400000000, -0.0007332100000000, -0.0080700700000000 ] - [ -0.0000032300000000, -0.0000409500000000, -0.0001741100000000 ] - [ 0.0001431300000000, -0.0003250300000000, 0.0001808500000000 ] - [ -0.0004227300000000, -0.0001122100000000, 0.0000971000000000 ] - [ 0.0005242600000000, 0.0002778500000000, 0.0001929500000000 ] - [ -0.0000298900000000, 0.0000066800000000, -0.0001392500000000 ] - [ -0.0000930000000000, -0.0001709000000000, -0.0000429200000000 ] - [ 0.1292343100000000, -0.0052433000000000, -0.0046400700000000 ] - [ 0.0000900200000000, -0.0001570200000000, 0.0003506900000000 ] - [ -0.0001218000000000, 0.0003758600000000, -0.0003265800000000 ] - [ 0.0000901000000000, 0.0000336100000000, 0.0011915300000000 ] - [ -0.0003082600000000, 0.0002626300000000, 0.0000684900000000 ] - [ 0.0002809300000000, -0.0003948700000000, -0.0001791200000000 ] - [ -0.0001468300000000, -0.0002007300000000, 0.0000263900000000 ] - [ -0.0000205000000000, -0.0000233900000000, 0.0000526400000000 ] - [ -0.0431425500000000, 0.0206255200000000, 0.0357560900000000 ] - [ 0.0002436200000000, -0.0004865200000000, -0.0001226000000000 ] - [ 0.0000473700000000, -0.0001421900000000, 0.0000392300000000 ] - [ 0.0001781100000000, -0.0001149000000000, 0.0002588300000000 ] - [ -0.0000531300000000, -0.0001020300000000, -0.0001705400000000 ] - [ 0.0001127200000000, -0.0001681100000000, -0.0001633400000000 ] - [ -0.0000113000000000, -0.0000647100000000, 0.0002206700000000 ] - [ 0.0001261800000000, -0.0002949200000000, 0.0000785500000000 ] - [ -0.0001037400000000, -0.0002795100000000, -0.0004380500000000 ] - [ -0.0001239700000000, -0.0000753700000000, 0.0000709800000000 ] - [ -0.0001191800000000, 0.0001767500000000, -0.0001911200000000 ] - [ 0.0000310500000000, -0.0001381400000000, -0.0000268500000000 ] - [ -0.0001026400000000, -0.0003852100000000, -0.0001898200000000 ] - [ -0.0015259900000000, 0.0014338300000000, -0.0002249600000000 ] - [ -0.0001387100000000, -0.0000980500000000, 0.0006416800000000 ] - [ -0.0002562700000000, 0.0001628500000000, -0.0000869900000000 ] - [ 0.0001765800000000, -0.0001936800000000, 0.0000844900000000 ] - [ -0.0000853300000000, 0.0000860600000000, 0.0000494000000000 ] - [ 0.0000079100000000, -0.0000241800000000, -0.0001107700000000 ] - [ 0.0001601100000000, 0.0002937500000000, -0.0004514100000000 ] - [ 0.0001679800000000, -0.0002040800000000, 0.0002150900000000 ] - [ 0.0040053900000000, 0.0021046900000000, 0.0061805800000000 ] - [ 0.0000529600000000, 0.0001002700000000, 0.0000434700000000 ] - [ 0.0001197500000000, -0.0001287300000000, -0.0001017400000000 ] - [ 0.0000330000000000, 0.0000208900000000, -0.0001178600000000 ] - [ -0.0002541700000000, -0.0002956100000000, -0.0000853100000000 ] - [ 0.0003192500000000, 0.0003076400000000, -0.0000503300000000 ] - [ 0.0001562300000000, -0.0001558100000000, 0.0001225300000000 ] - [ -0.0003787600000000, -0.0004940300000000, -0.0002259000000000 ] - [ 0.0000145900000000, -0.0003220300000000, -0.0002902600000000 ] - [ -0.0178645400000000, 0.0095976000000000, -0.0112544800000000 ] - [ 0.0000737000000000, -0.0001540700000000, -0.0001426000000000 ] - [ -0.0030029100000000, 0.0022835000000000, -0.0009153500000000 ] - [ 0.0000089800000000, 0.0004366400000000, -0.0003140100000000 ] - [ 0.0000313700000000, 0.0000585400000000, -0.0000173000000000 ] - [ 0.0051007500000000, 0.0004477400000000, 0.0015531400000000 ] - [ -0.0015372200000000, 0.0007666800000000, 0.0004888600000000 ] - [ -0.0001829700000000, -0.0001605500000000, 0.0000537900000000 ] - [ 0.0002408700000000, 0.0007572200000000, 0.0001816100000000 ] - [ -0.0002352100000000, -0.0002531100000000, 0.0001895800000000 ] - [ -0.0001989700000000, -0.0003437000000000, 0.0001871800000000 ] - [ -0.0000335300000000, 0.0001863500000000, 0.0001142300000000 ] - [ -0.0002321300000000, 0.0002013200000000, -0.0000519200000000 ] - [ 0.0000869100000000, -0.0002099600000000, 0.0000367700000000 ] - [ -0.0000737100000000, 0.0003037400000000, 0.0000233200000000 ] - [ -0.0001024500000000, 0.0000827000000000, -0.0000244300000000 ] - [ -0.0029718900000000, 0.0057256000000000, -0.0032422700000000 ] - [ -0.0008381300000000, -0.0000584900000000, -0.0011290900000000 ] - [ -0.0031664400000000, -0.0009963700000000, -0.0054690700000000 ] - [ 0.0000103200000000, -0.0000088600000000, 0.0000860200000000 ] - [ -0.0563154200000000, -0.0317134400000000, -0.0122257600000000 ] - [ -0.0002642500000000, 0.0003041900000000, 0.0000579900000000 ] - [ 0.0000826700000000, -0.0002811700000000, -0.0000369200000000 ] - [ 0.0001881700000000, 0.0000832400000000, 0.0002410600000000 ] - [ -0.0000625100000000, 0.0000208600000000, -0.0002163800000000 ] - [ 0.0001580400000000, 0.0001516600000000, -0.0001254700000000 ] - [ -0.0000536600000000, -0.0002941400000000, -0.0000092100000000 ] - [ -0.0002006600000000, -0.0002207600000000, 0.0002684300000000 ] - [ -0.0000462500000000, -0.0001651300000000, -0.0001153900000000 ] - [ 0.0003802400000000, -0.0000317700000000, -0.0001207500000000 ] - [ 0.0001246600000000, -0.0001497800000000, -0.0001120500000000 ] - [ -0.0010137600000000, 0.0000302700000000, 0.0009178200000000 ] - [ 0.0001793900000000, 0.0003647000000000, 0.0002267100000000 ] - [ -0.0000705000000000, 0.0003340900000000, 0.0000284400000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002746500000000, 0.0001587300000000, 0.0006486500000000 ] - [ 0.0001604200000000, 0.0003509400000000, 0.0003835800000000 ] - [ -0.0001107900000000, -0.0002010000000000, -0.0002472400000000 ] - [ 0.0000708700000000, 0.0004096600000000, -0.0005127500000000 ] - [ 0.0000120000000000, 0.0000700900000000, 0.0000426800000000 ] - [ 0.0029647100000000, 0.0047672300000000, 0.0108164700000000 ] - [ -0.0001479000000000, 0.0000762400000000, -0.0000201800000000 ] - [ 0.0001764500000000, -0.0003451400000000, 0.0001673000000000 ] - [ 0.0000856700000000, 0.0003162400000000, 0.0001700000000000 ] - [ -0.0014524600000000, 0.0001585900000000, -0.0008629900000000 ] - [ 0.0000660000000000, 0.0000665100000000, -0.0000262100000000 ] - [ -0.0000361300000000, -0.0001416000000000, -0.0000365000000000 ] - [ 0.0074045400000000, -0.1163489700000000, 0.0092794800000000 ] - [ 0.0001027400000000, -0.0001879800000000, 0.0001911900000000 ] - [ -0.0000319900000000, 0.0004794100000000, 0.0006736000000000 ] - [ -0.0001725500000000, -0.0005488400000000, 0.0004248300000000 ] - [ 0.0007816400000000, 0.0007200300000000, -0.0001305200000000 ] - [ 0.0002398500000000, -0.0004054100000000, -0.0001656800000000 ] - [ -0.0001508600000000, 0.0001461100000000, -0.0002024900000000 ] - [ 0.0000028200000000, 0.0000098200000000, 0.0000264500000000 ] - [ -0.0109487900000000, 0.0191969600000000, 0.0133891200000000 ] - [ 0.0015548600000000, 0.0007617500000000, 0.0002401900000000 ] - [ 0.0000603000000000, -0.0001527600000000, 0.0000554300000000 ] - [ 0.0001799500000000, 0.0000544400000000, 0.0003304300000000 ] - [ -0.0000304100000000, -0.0001017500000000, -0.0001526800000000 ] - [ 0.0001215800000000, -0.0001436000000000, -0.0001710800000000 ] - [ -0.0000068600000000, -0.0000817800000000, 0.0000857200000000 ] - [ 0.0001302900000000, -0.0003095000000000, 0.0001143300000000 ] - [ -0.0002285800000000, -0.0001813300000000, -0.0001835900000000 ] - [ -0.0001514000000000, -0.0001616600000000, 0.0001118300000000 ] - [ -0.0002577900000000, 0.0001139300000000, -0.0000069600000000 ] - [ 0.0000634100000000, -0.0001343300000000, -0.0000539900000000 ] - [ -0.0000139800000000, -0.0000719200000000, -0.0000716300000000 ] - [ -0.0010775200000000, 0.0017252900000000, -0.0016680800000000 ] - [ -0.0003469600000000, 0.0000561300000000, 0.0001116200000000 ] - [ -0.0002203300000000, 0.0001744600000000, -0.0000124600000000 ] - [ 0.0001806800000000, -0.0001609300000000, 0.0000948400000000 ] - [ 0.0000115700000000, 0.0000618900000000, 0.0000737900000000 ] - [ -0.0003465500000000, -0.0000750200000000, -0.0001847400000000 ] - [ 0.0004591300000000, -0.0011673000000000, 0.0006947800000000 ] - [ 0.0001965900000000, -0.0001918300000000, 0.0002006000000000 ] - [ 0.0011546200000000, 0.0033251900000000, 0.0038627600000000 ] - [ 0.0000788600000000, 0.0000937000000000, 0.0000714800000000 ] - [ 0.0001038600000000, -0.0001189000000000, -0.0001051900000000 ] - [ -0.0001420400000000, -0.0001342400000000, 0.0004146800000000 ] - [ -0.0000396100000000, -0.0000864600000000, -0.0002968300000000 ] - [ -0.0002832400000000, -0.0001828900000000, -0.0000418300000000 ] - [ 0.0001425900000000, -0.0001272700000000, 0.0001231000000000 ] - [ -0.0001075500000000, -0.0003224600000000, -0.0000079200000000 ] - [ -0.0001715200000000, -0.0003501600000000, -0.0001274800000000 ] - [ -0.0212424200000000, 0.0480457900000000, -0.0412310200000000 ] - [ 0.0000820500000000, -0.0001271600000000, -0.0001307100000000 ] - [ -0.0065338800000000, 0.0030952300000000, 0.0026098100000000 ] - [ -0.0001844300000000, 0.0003640900000000, -0.0002139800000000 ] - [ 0.0000362900000000, -0.0000876900000000, -0.0000447900000000 ] - [ 0.0012925200000000, 0.0077428900000000, -0.0021368900000000 ] - [ -0.0011990900000000, 0.0009117500000000, 0.0003523900000000 ] - [ -0.0000426000000000, -0.0000255700000000, 0.0001607300000000 ] - [ 0.0001801100000000, 0.0003104700000000, -0.0001304400000000 ] - [ -0.0000604900000000, -0.0000018900000000, 0.0002838700000000 ] - [ -0.0003154500000000, -0.0003607400000000, 0.0002197900000000 ] - [ -0.0000401100000000, 0.0001106300000000, 0.0002785700000000 ] - [ -0.0001469700000000, 0.0003079900000000, -0.0000882700000000 ] - [ -0.0000114900000000, -0.0001708300000000, 0.0000825600000000 ] - [ -0.0000664100000000, -0.0001046800000000, 0.0000381200000000 ] - [ -0.0000722500000000, 0.0000680400000000, -0.0001269200000000 ] - [ -0.0003837500000000, 0.0044941500000000, -0.0006025700000000 ] - [ 0.0015060200000000, -0.0013335900000000, -0.0001018500000000 ] - [ -0.0004636200000000, -0.0027305500000000, -0.0044704400000000 ] - [ 0.0000343500000000, -0.0000650500000000, 0.0001340200000000 ] - [ 0.0272934200000000, 0.0296414000000000, 0.0076989800000000 ] - [ 0.0001412100000000, 0.0003782700000000, 0.0000942000000000 ] - [ 0.0001479500000000, -0.0003807100000000, 0.0001458400000000 ] - [ -0.0000197600000000, -0.0001210600000000, 0.0001807700000000 ] - [ -0.0000784200000000, 0.0000054600000000, -0.0002705700000000 ] - [ -0.0000089300000000, 0.0001355700000000, 0.0001098800000000 ] - [ -0.0000611700000000, -0.0002744600000000, -0.0000185300000000 ] - [ 0.0000615800000000, -0.0000973000000000, 0.0001534700000000 ] - [ -0.0000337100000000, -0.0001247900000000, -0.0001268200000000 ] - [ 0.0000061500000000, -0.0002961600000000, 0.0001587500000000 ] - [ 0.0001207700000000, -0.0001408300000000, -0.0001212200000000 ] - [ -0.0000402600000000, -0.0003033200000000, -0.0000942800000000 ] - [ 0.0000439700000000, 0.0003159300000000, 0.0000281900000000 ] - [ -0.0002460100000000, -0.0000395600000000, -0.0003305400000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001115400000000, 0.0002248100000000, -0.0002370600000000 ] - [ 0.0001394400000000, -0.0000898700000000, -0.0001367700000000 ] - [ -0.0001060400000000, -0.0002023200000000, -0.0002434800000000 ] - [ -0.0000007900000000, -0.0000954800000000, 0.0007750200000000 ] - [ -0.0000448100000000, -0.0000502300000000, 0.0000425000000000 ] - [ -0.0031279700000000, -0.0042190700000000, -0.0108981400000000 ] - [ -0.0000354100000000, 0.0002010100000000, 0.0003030700000000 ] - [ 0.0001689600000000, -0.0003187700000000, 0.0001712800000000 ] - [ -0.0003318600000000, -0.0000506200000000, 0.0000523400000000 ] - [ 0.0010022500000000, 0.0006728300000000, 0.0011960500000000 ] - [ -0.0000725100000000, 0.0000200800000000, -0.0002033800000000 ] - [ -0.0000847400000000, -0.0001751000000000, -0.0000315700000000 ] - [ -0.0056588500000000, 0.1163058400000000, -0.0077305900000000 ] - [ 0.0001146700000000, -0.0002148400000000, 0.0002990100000000 ] - [ 0.0002961300000000, 0.0001332000000000, -0.0004799200000000 ] - [ 0.0000204500000000, 0.0003858900000000, -0.0005936900000000 ] - [ -0.0006867200000000, -0.0001662400000000, 0.0001842300000000 ] - [ 0.0002340600000000, -0.0004031800000000, -0.0001680500000000 ] - [ 0.0001830800000000, -0.0001174000000000, 0.0001053800000000 ] - [ -0.0000359400000000, -0.0000331100000000, 0.0000630400000000 ] - [ 0.0113084500000000, -0.0188663600000000, -0.0135870000000000 ] - [ -0.0014764400000000, -0.0005296500000000, -0.0003044300000000 ] - [ 0.0000595600000000, -0.0001627500000000, 0.0000132600000000 ] - [ -0.0000524700000000, -0.0000665600000000, 0.0001391900000000 ] - [ -0.0000388000000000, -0.0001347500000000, -0.0001677300000000 ] - [ 0.0001047200000000, -0.0001716100000000, -0.0001672500000000 ] - [ 0.0000761000000000, -0.0001552500000000, 0.0002341800000000 ] - [ 0.0001265300000000, -0.0002967000000000, 0.0000902800000000 ] - [ -0.0001656700000000, -0.0002019500000000, -0.0002217300000000 ] - [ -0.0000893700000000, -0.0001045100000000, 0.0001153600000000 ] - [ -0.0000363600000000, 0.0001448200000000, -0.0002439500000000 ] - [ 0.0000005600000000, -0.0000865100000000, -0.0000106700000000 ] - [ -0.0002443100000000, -0.0005334400000000, -0.0001332400000000 ] - [ 0.0013021500000000, -0.0014228500000000, 0.0013356300000000 ] - [ 0.0002306600000000, 0.0002572700000000, -0.0001782900000000 ] - [ -0.0001314800000000, 0.0001724300000000, -0.0001805400000000 ] - [ 0.0001713100000000, -0.0001854500000000, 0.0000969900000000 ] - [ -0.0000788700000000, 0.0001570600000000, -0.0000078700000000 ] - [ 0.0002823800000000, -0.0001453000000000, 0.0002530400000000 ] - [ -0.0002346400000000, 0.0013877100000000, -0.0009018900000000 ] - [ 0.0001950300000000, -0.0001924600000000, 0.0002056400000000 ] - [ -0.0012038800000000, -0.0030190100000000, -0.0041351900000000 ] - [ 0.0000777400000000, 0.0000701900000000, 0.0000836100000000 ] - [ 0.0001109600000000, -0.0001270500000000, -0.0001059300000000 ] - [ 0.0002146000000000, -0.0001774100000000, -0.0001606600000000 ] - [ -0.0003122700000000, -0.0002583700000000, 0.0001028800000000 ] - [ 0.0002900500000000, 0.0002689400000000, 0.0002683700000000 ] - [ 0.0001534400000000, -0.0001308400000000, 0.0001248900000000 ] - [ -0.0002370300000000, -0.0003426100000000, -0.0003306100000000 ] - [ -0.0001232300000000, 0.0000969900000000, -0.0001212700000000 ] - [ 0.0205918600000000, -0.0466643100000000, 0.0395986300000000 ] - [ 0.0000978300000000, -0.0001503000000000, -0.0001502000000000 ] - [ 0.0063817100000000, -0.0027143200000000, -0.0030959700000000 ] - [ -0.0001636300000000, 0.0003009000000000, -0.0001213300000000 ] - [ -0.0000038500000000, 0.0000676200000000, -0.0000416600000000 ] - [ -0.0012015200000000, -0.0080056900000000, 0.0022963100000000 ] - [ 0.0010533400000000, -0.0008926700000000, -0.0007977100000000 ] - [ -0.0001382900000000, -0.0002518600000000, 0.0001194900000000 ] - [ 0.0001742500000000, 0.0000432000000000, 0.0003303500000000 ] - [ -0.0001638400000000, -0.0003130500000000, 0.0000545700000000 ] - [ -0.0001593700000000, -0.0004467200000000, 0.0001160300000000 ] - [ -0.0001856800000000, 0.0002052100000000, 0.0000594300000000 ] - [ -0.0001091200000000, 0.0002980500000000, -0.0001162100000000 ] - [ 0.0001132700000000, -0.0002192200000000, 0.0000038000000000 ] - [ 0.0000616500000000, 0.0000177900000000, -0.0002652300000000 ] - [ -0.0000844100000000, 0.0000957900000000, -0.0000297800000000 ] - [ 0.0007210800000000, -0.0037459200000000, 0.0008878900000000 ] - [ -0.0012713800000000, 0.0015897700000000, -0.0001340900000000 ] - [ 0.0005785200000000, 0.0031007300000000, 0.0045404500000000 ] - [ -0.0000296100000000, -0.0000215700000000, 0.0000958200000000 ] - [ -0.0280333600000000, -0.0296359300000000, -0.0081808800000000 ] - [ -0.0003573200000000, -0.0001351800000000, 0.0001169300000000 ] - [ -0.0000364800000000, -0.0001809400000000, -0.0000940600000000 ] - [ 0.0001484300000000, 0.0001328200000000, 0.0002891100000000 ] - [ -0.0000494700000000, 0.0000067000000000, -0.0001987400000000 ] - [ -0.0000930700000000, 0.0002492900000000, -0.0001988300000000 ] - [ -0.0000494400000000, -0.0002864100000000, -0.0000327600000000 ] - [ -0.0002773100000000, -0.0001483000000000, 0.0000571300000000 ] - [ -0.0000406500000000, -0.0001901000000000, -0.0001262400000000 ] - [ -0.0001090500000000, -0.0000928600000000, -0.0002450500000000 ] - [ 0.0001215000000000, -0.0001236400000000, -0.0001047700000000 ] - [ 0.0001167500000000, 0.0005441600000000, 0.0004045000000000 ] - [ 0.0001751200000000, 0.0000887400000000, 0.0004621000000000 ] - [ -0.0001428100000000, 0.0004268200000000, -0.0000734000000000 ]- atom: 13 displacement: [ -0.0027030911372206, 0.0000000000000000, 0.0096277358866911 ] forces: - [ 0.0001640800000000, -0.0020457700000000, 0.0021976300000000 ] - [ 0.0005326800000000, 0.0005308900000000, 0.0007662600000000 ] - [ -0.0001076100000000, -0.0001964600000000, -0.0002260500000000 ] - [ 0.0001474500000000, -0.0001180300000000, 0.0004669000000000 ] - [ -0.0000084700000000, -0.0000257900000000, 0.0000858200000000 ] - [ 0.0018250900000000, 0.0020955600000000, 0.0042230900000000 ] - [ -0.0000297200000000, 0.0002225600000000, 0.0002516400000000 ] - [ 0.0001500800000000, -0.0003324700000000, 0.0001751900000000 ] - [ -0.0001137500000000, 0.0002804400000000, 0.0001663400000000 ] - [ -0.0002532000000000, -0.0007200300000000, 0.0014145200000000 ] - [ -0.0000156400000000, 0.0000077600000000, -0.0000471300000000 ] - [ 0.0000941000000000, 0.0000366600000000, -0.0001295400000000 ] - [ 0.0385880400000000, 0.0065971300000000, -0.1084730900000000 ] - [ 0.0000514700000000, -0.0002246000000000, 0.0001283000000000 ] - [ 0.0004314200000000, 0.0009665700000000, -0.0025959200000000 ] - [ -0.0000954200000000, -0.0003649100000000, -0.0007906700000000 ] - [ -0.0001550300000000, 0.0000130900000000, 0.0003183000000000 ] - [ 0.0002553500000000, -0.0003998000000000, -0.0001774800000000 ] - [ 0.0000538600000000, 0.0002394400000000, 0.0005539600000000 ] - [ -0.0000889100000000, -0.0001360200000000, 0.0003519100000000 ] - [ -0.0378777700000000, 0.0199310300000000, 0.0503231100000000 ] - [ -0.0016224700000000, 0.0003364800000000, 0.0014039100000000 ] - [ 0.0000516600000000, -0.0001477400000000, 0.0000133200000000 ] - [ 0.0001334500000000, 0.0000514100000000, 0.0002980900000000 ] - [ -0.0000334200000000, -0.0001272600000000, -0.0001655200000000 ] - [ 0.0000836800000000, -0.0001630200000000, -0.0001672800000000 ] - [ -0.0000327500000000, -0.0001815000000000, 0.0000637100000000 ] - [ 0.0001418000000000, -0.0003074600000000, 0.0000875000000000 ] - [ -0.0000641500000000, -0.0002826400000000, -0.0003229100000000 ] - [ -0.0001913600000000, -0.0001404500000000, 0.0001584800000000 ] - [ -0.0002264500000000, 0.0001468100000000, -0.0000381200000000 ] - [ 0.0000086600000000, -0.0001374300000000, -0.0001281400000000 ] - [ -0.0000932800000000, -0.0002355200000000, 0.0000912700000000 ] - [ -0.0004701400000000, -0.0006593100000000, 0.0026801000000000 ] - [ -0.0003730900000000, -0.0001035600000000, 0.0000952900000000 ] - [ -0.0000614500000000, 0.0001292100000000, -0.0002382200000000 ] - [ 0.0001444800000000, -0.0001736200000000, 0.0001117800000000 ] - [ 0.0000090700000000, 0.0000686600000000, -0.0000356000000000 ] - [ -0.0001435100000000, -0.0002337700000000, 0.0000632200000000 ] - [ -0.0001271500000000, -0.0001895600000000, -0.0013002700000000 ] - [ 0.0001981500000000, -0.0001733000000000, 0.0002060700000000 ] - [ 0.0024718900000000, 0.0049109300000000, 0.0090604200000000 ] - [ 0.0000705000000000, 0.0000910200000000, 0.0000976200000000 ] - [ 0.0001117900000000, -0.0001106100000000, -0.0000912300000000 ] - [ 0.0001510200000000, -0.0000017600000000, 0.0000105000000000 ] - [ 0.0000781500000000, -0.0000320900000000, -0.0003111600000000 ] - [ -0.0001353500000000, -0.0001987300000000, -0.0000990600000000 ] - [ 0.0001186400000000, -0.0001184500000000, 0.0001386200000000 ] - [ -0.0001374800000000, -0.0002949300000000, -0.0000470500000000 ] - [ 0.0000943600000000, -0.0000337900000000, 0.0000064900000000 ] - [ 0.0094911700000000, -0.0261555900000000, 0.0410843500000000 ] - [ 0.0000977400000000, -0.0001436800000000, -0.0001768800000000 ] - [ 0.0016817700000000, 0.0014528700000000, -0.0077762800000000 ] - [ 0.0000217500000000, 0.0006497000000000, -0.0002664600000000 ] - [ -0.0000064400000000, -0.0000661600000000, -0.0000524200000000 ] - [ -0.0000502700000000, -0.0012393100000000, -0.0001468200000000 ] - [ -0.0017499100000000, 0.0003759000000000, 0.0029561300000000 ] - [ -0.0001522200000000, 0.0000347200000000, 0.0002301400000000 ] - [ 0.0000078000000000, 0.0003609800000000, -0.0000791900000000 ] - [ 0.0000702000000000, -0.0002574900000000, 0.0002885200000000 ] - [ -0.0002587400000000, -0.0004397900000000, 0.0002298700000000 ] - [ -0.0000749200000000, 0.0000634100000000, 0.0003331900000000 ] - [ -0.0002464900000000, 0.0003478800000000, -0.0002899100000000 ] - [ 0.0001970600000000, -0.0002243500000000, 0.0000057000000000 ] - [ -0.0001801900000000, -0.0000171100000000, 0.0001324500000000 ] - [ -0.0000877700000000, 0.0000702400000000, -0.0001001700000000 ] - [ -0.0002569100000000, 0.0033441400000000, -0.0080481300000000 ] - [ -0.0011000300000000, -0.0005159000000000, -0.0006909800000000 ] - [ 0.0031100200000000, 0.0006556900000000, 0.0066503200000000 ] - [ 0.0000064600000000, -0.0000410900000000, 0.0000933100000000 ] - [ -0.0130674500000000, -0.0075156800000000, 0.0035444300000000 ] - [ -0.0001840000000000, 0.0004597900000000, 0.0003171300000000 ] - [ 0.0000419200000000, -0.0002049100000000, -0.0000176100000000 ] - [ 0.0000623700000000, -0.0000203600000000, 0.0004242700000000 ] - [ -0.0000604600000000, 0.0000023200000000, -0.0002407200000000 ] - [ -0.0001031000000000, 0.0004334600000000, -0.0001701200000000 ] - [ -0.0000381800000000, -0.0002590800000000, -0.0000349300000000 ] - [ 0.0000269700000000, 0.0000651200000000, -0.0000657600000000 ] - [ -0.0000318200000000, -0.0001555800000000, -0.0001024200000000 ] - [ 0.0001693000000000, 0.0000423300000000, 0.0001314900000000 ] - [ 0.0000968000000000, -0.0001561900000000, -0.0001205700000000 ] - [ -0.0009587700000000, 0.0003418400000000, 0.0015389800000000 ] - [ 0.0000994200000000, 0.0003349900000000, -0.0001284600000000 ] - [ -0.0002764500000000, 0.0003316200000000, -0.0000773700000000 ]- atom: 13 displacement: [ 0.0027030911372206, 0.0000000000000000, -0.0096277358866911 ] forces: - [ 0.0001994700000000, 0.0024328200000000, -0.0018414500000000 ] - [ -0.0002304800000000, -0.0002641800000000, -0.0005232300000000 ] - [ -0.0001218400000000, -0.0001986600000000, -0.0002631300000000 ] - [ -0.0000743200000000, 0.0004352900000000, -0.0002272300000000 ] - [ -0.0000278300000000, 0.0000473100000000, 0.0000000300000000 ] - [ -0.0019248300000000, -0.0015631800000000, -0.0041975200000000 ] - [ -0.0001450900000000, 0.0000638000000000, 0.0000397900000000 ] - [ 0.0001836200000000, -0.0003285400000000, 0.0001578900000000 ] - [ -0.0001247900000000, 0.0000028900000000, 0.0000689000000000 ] - [ -0.0002456400000000, 0.0015124800000000, -0.0010714300000000 ] - [ 0.0000077600000000, 0.0000718700000000, -0.0001957500000000 ] - [ -0.0002041100000000, -0.0003431700000000, 0.0000637200000000 ] - [ -0.0403173000000000, -0.0062424700000000, 0.1100678500000000 ] - [ 0.0001785000000000, -0.0001712500000000, 0.0003632800000000 ] - [ -0.0001715700000000, -0.0003808300000000, 0.0028017800000000 ] - [ -0.0000549600000000, 0.0001825600000000, 0.0006166900000000 ] - [ 0.0002698800000000, 0.0005477100000000, -0.0002651100000000 ] - [ 0.0002276000000000, -0.0004120800000000, -0.0001660000000000 ] - [ -0.0000191900000000, -0.0002215200000000, -0.0006321500000000 ] - [ 0.0000540200000000, 0.0001142200000000, -0.0002688300000000 ] - [ 0.0397510400000000, -0.0205562000000000, -0.0517036800000000 ] - [ 0.0016837700000000, -0.0001259600000000, -0.0014933200000000 ] - [ 0.0000553100000000, -0.0001559500000000, 0.0000530900000000 ] - [ 0.0000007300000000, -0.0000639300000000, 0.0001728400000000 ] - [ -0.0000424400000000, -0.0000990400000000, -0.0001561100000000 ] - [ 0.0001457500000000, -0.0001478700000000, -0.0001793300000000 ] - [ 0.0001082400000000, -0.0000446700000000, 0.0002607300000000 ] - [ 0.0001108700000000, -0.0002853800000000, 0.0001115200000000 ] - [ -0.0003211400000000, -0.0000955700000000, -0.0000934000000000 ] - [ -0.0000540000000000, -0.0001357300000000, 0.0000766700000000 ] - [ -0.0000817200000000, 0.0001177400000000, -0.0001991200000000 ] - [ 0.0000543000000000, -0.0000897000000000, 0.0000707100000000 ] - [ -0.0001601800000000, -0.0003560700000000, -0.0002915800000000 ] - [ 0.0006999800000000, 0.0009551200000000, -0.0030525500000000 ] - [ 0.0002473900000000, 0.0004011000000000, -0.0001532700000000 ] - [ -0.0002939900000000, 0.0002258200000000, 0.0000519600000000 ] - [ 0.0002125100000000, -0.0001813900000000, 0.0000713200000000 ] - [ -0.0000716600000000, 0.0001555100000000, 0.0000903800000000 ] - [ 0.0000818600000000, 0.0000068400000000, -0.0000081200000000 ] - [ 0.0003683900000000, 0.0004405500000000, 0.0010888900000000 ] - [ 0.0001875600000000, -0.0002068500000000, 0.0002111000000000 ] - [ -0.0024401700000000, -0.0047145900000000, -0.0093828000000000 ] - [ 0.0000783300000000, 0.0000804600000000, 0.0000498000000000 ] - [ 0.0001121600000000, -0.0001369100000000, -0.0001258600000000 ] - [ -0.0000764900000000, -0.0003155600000000, 0.0002346200000000 ] - [ -0.0004389800000000, -0.0003213900000000, 0.0001273200000000 ] - [ 0.0001435600000000, 0.0002765400000000, 0.0003416600000000 ] - [ 0.0001861800000000, -0.0001453100000000, 0.0001026900000000 ] - [ -0.0001933200000000, -0.0003663800000000, -0.0002865500000000 ] - [ -0.0004003200000000, -0.0002231900000000, -0.0002486900000000 ] - [ -0.0096627700000000, 0.0271485700000000, -0.0418783000000000 ] - [ 0.0000764600000000, -0.0001340300000000, -0.0001124400000000 ] - [ -0.0019097300000000, -0.0010553200000000, 0.0073446700000000 ] - [ -0.0003521100000000, 0.0000155700000000, -0.0000694600000000 ] - [ 0.0000401800000000, 0.0000450000000000, -0.0000327000000000 ] - [ 0.0001426900000000, 0.0010482300000000, 0.0002716500000000 ] - [ 0.0016097700000000, -0.0003860800000000, -0.0034344800000000 ] - [ -0.0000225400000000, -0.0003122400000000, 0.0000602300000000 ] - [ 0.0003543600000000, -0.0000049300000000, 0.0002595700000000 ] - [ -0.0002993300000000, -0.0000538800000000, 0.0000573800000000 ] - [ -0.0002228600000000, -0.0003725900000000, 0.0001118200000000 ] - [ -0.0001556700000000, 0.0002455900000000, 0.0000180400000000 ] - [ -0.0000074100000000, 0.0002460700000000, 0.0000862000000000 ] - [ -0.0000909300000000, -0.0001735100000000, 0.0000805000000000 ] - [ 0.0001719000000000, -0.0000631600000000, -0.0003763700000000 ] - [ -0.0000624600000000, 0.0001004900000000, -0.0000440200000000 ] - [ 0.0005922800000000, -0.0026880700000000, 0.0084199700000000 ] - [ 0.0013827300000000, 0.0008493600000000, 0.0004769600000000 ] - [ -0.0030792400000000, -0.0001543200000000, -0.0065614000000000 ] - [ 0.0000022300000000, -0.0000404100000000, 0.0001500200000000 ] - [ 0.0137775100000000, 0.0084507200000000, -0.0038302500000000 ] - [ -0.0000406300000000, -0.0002068200000000, -0.0000991000000000 ] - [ 0.0000694700000000, -0.0003565000000000, 0.0000555600000000 ] - [ 0.0000719000000000, 0.0000373300000000, 0.0000411500000000 ] - [ -0.0000729600000000, 0.0000133400000000, -0.0002250600000000 ] - [ -0.0000017600000000, -0.0000326200000000, 0.0000810600000000 ] - [ -0.0000707600000000, -0.0003018200000000, -0.0000023200000000 ] - [ -0.0002484100000000, -0.0003152000000000, 0.0002830900000000 ] - [ -0.0000389900000000, -0.0001635100000000, -0.0001413800000000 ] - [ -0.0002662600000000, -0.0004384500000000, -0.0002207300000000 ] - [ 0.0001467300000000, -0.0001212400000000, -0.0001129700000000 ] - [ 0.0010342200000000, -0.0001120900000000, -0.0011954000000000 ] - [ 0.0001311600000000, 0.0000610300000000, 0.0006100500000000 ] - [ -0.0001111900000000, 0.0000483800000000, -0.0003405600000000 ]- atom: 15 displacement: [ 0.0099998398488412, 0.0000000000000000, -0.0000565950309369 ] forces: - [ -0.0001795800000000, 0.0004994800000000, 0.0004680300000000 ] - [ 0.0040276400000000, 0.0017430900000000, 0.0070041300000000 ] - [ -0.0001051900000000, -0.0001950000000000, -0.0002643000000000 ] - [ -0.0001005300000000, 0.0000615700000000, 0.0000869500000000 ] - [ 0.0000125400000000, 0.0001248700000000, 0.0000071200000000 ] - [ -0.0000046200000000, 0.0001963400000000, 0.0000714800000000 ] - [ -0.0000729100000000, 0.0001973600000000, 0.0002182100000000 ] - [ 0.0001904400000000, -0.0003405300000000, 0.0001721500000000 ] - [ -0.0000732000000000, 0.0002245400000000, 0.0004550500000000 ] - [ -0.0003117600000000, 0.0006095900000000, 0.0002141000000000 ] - [ -0.0000031500000000, 0.0000588500000000, -0.0000867000000000 ] - [ -0.0002173300000000, -0.0002553700000000, -0.0000293300000000 ] - [ 0.0002131200000000, -0.0000448000000000, 0.0002360200000000 ] - [ 0.0003688500000000, -0.0001267900000000, 0.0001841500000000 ] - [ -0.1243851200000000, 0.0151413400000000, 0.0089538200000000 ] - [ -0.0001008800000000, -0.0003748900000000, -0.0005191000000000 ] - [ 0.0001331400000000, 0.0002538300000000, -0.0001203100000000 ] - [ 0.0002553600000000, -0.0003977100000000, -0.0001287300000000 ] - [ -0.0027474300000000, -0.0003959300000000, -0.0033671200000000 ] - [ 0.0002245000000000, 0.0001906700000000, 0.0002897800000000 ] - [ 0.0016424200000000, -0.0011128800000000, -0.0010099500000000 ] - [ 0.0021892900000000, 0.0004448800000000, 0.0016863200000000 ] - [ 0.0000556100000000, -0.0001672000000000, 0.0000278600000000 ] - [ 0.0000351500000000, 0.0000931400000000, 0.0002207100000000 ] - [ -0.0000385000000000, -0.0001258300000000, -0.0001469100000000 ] - [ 0.0001241900000000, -0.0001429900000000, -0.0001782200000000 ] - [ 0.0000142000000000, -0.0000090600000000, 0.0001888200000000 ] - [ 0.0001178200000000, -0.0003008500000000, 0.0001163300000000 ] - [ -0.0001845700000000, -0.0003234500000000, -0.0000697700000000 ] - [ -0.0000280800000000, -0.0001003500000000, -0.0000671500000000 ] - [ -0.0001791000000000, 0.0001512600000000, -0.0000964600000000 ] - [ 0.0000327000000000, -0.0001221200000000, -0.0000433000000000 ] - [ -0.0001397300000000, -0.0004059400000000, -0.0001383600000000 ] - [ 0.0240870100000000, -0.0155460800000000, 0.0147386600000000 ] - [ -0.0001433500000000, 0.0002368500000000, -0.0002310400000000 ] - [ -0.0000006000000000, 0.0002862200000000, -0.0000037900000000 ] - [ 0.0001676100000000, -0.0001742600000000, 0.0000889100000000 ] - [ -0.0000200000000000, 0.0001044700000000, 0.0000088200000000 ] - [ -0.0000291200000000, 0.0000410900000000, 0.0002076700000000 ] - [ -0.0050346500000000, -0.0014903400000000, -0.0029057400000000 ] - [ 0.0002291100000000, -0.0001837600000000, 0.0002238700000000 ] - [ 0.0000792000000000, 0.0003718200000000, 0.0000445800000000 ] - [ 0.0000804400000000, 0.0001530100000000, 0.0000590600000000 ] - [ 0.0000999700000000, -0.0001186600000000, -0.0001020300000000 ] - [ 0.0002115900000000, -0.0001066300000000, 0.0002261700000000 ] - [ -0.0002069400000000, -0.0002790000000000, -0.0000775200000000 ] - [ 0.0057459700000000, 0.0011751400000000, 0.0076266900000000 ] - [ 0.0001060500000000, -0.0001281000000000, 0.0001157900000000 ] - [ -0.0001996700000000, -0.0003875000000000, -0.0003000900000000 ] - [ -0.0009410200000000, -0.0003185500000000, -0.0003299500000000 ] - [ 0.0020923900000000, -0.0012256800000000, 0.0003314100000000 ] - [ 0.0000920700000000, -0.0001461200000000, -0.0001423600000000 ] - [ 0.0038445000000000, -0.0052270000000000, 0.0013564900000000 ] - [ -0.0002109000000000, 0.0003250800000000, -0.0001818700000000 ] - [ 0.0000131500000000, -0.0000157600000000, -0.0000604900000000 ] - [ 0.0020704600000000, -0.0002248200000000, -0.0000060700000000 ] - [ 0.0444401000000000, -0.0190656100000000, -0.0415720900000000 ] - [ -0.0000294500000000, -0.0000098300000000, 0.0001300100000000 ] - [ 0.0387030600000000, 0.0302360300000000, 0.0061917600000000 ] - [ 0.0002002700000000, -0.0000568300000000, 0.0004700900000000 ] - [ -0.0001551000000000, -0.0002091000000000, 0.0001062100000000 ] - [ -0.0002891200000000, 0.0001171100000000, 0.0003663000000000 ] - [ -0.0001644800000000, 0.0004024100000000, -0.0000015400000000 ] - [ 0.0000424300000000, -0.0001903100000000, 0.0000462600000000 ] - [ 0.0000216300000000, -0.0000971800000000, -0.0002491200000000 ] - [ -0.0001066800000000, 0.0000682500000000, -0.0000918000000000 ] - [ 0.0044586000000000, -0.0026549600000000, -0.0008058400000000 ] - [ 0.0008519000000000, 0.0003979800000000, 0.0005107100000000 ] - [ -0.0002195100000000, -0.0001985900000000, -0.0004814300000000 ] - [ 0.0000092600000000, -0.0000548700000000, 0.0001092300000000 ] - [ -0.0004029700000000, 0.0000228400000000, 0.0000332000000000 ] - [ -0.0001227200000000, 0.0000248800000000, -0.0000148600000000 ] - [ -0.0000313600000000, -0.0006473600000000, -0.0002373900000000 ] - [ 0.0003198300000000, -0.0000245900000000, 0.0002090000000000 ] - [ -0.0000498800000000, -0.0000045100000000, -0.0002422600000000 ] - [ -0.0000264500000000, 0.0002368800000000, -0.0000590300000000 ] - [ -0.0000465600000000, -0.0002823300000000, -0.0000381400000000 ] - [ -0.0001283400000000, -0.0001916900000000, 0.0002362900000000 ] - [ -0.0000452600000000, -0.0001542000000000, -0.0001426500000000 ] - [ -0.0001827700000000, 0.0000036800000000, 0.0001169600000000 ] - [ 0.0000815200000000, -0.0001400300000000, -0.0001219500000000 ] - [ 0.0001447000000000, 0.0001431500000000, 0.0000700800000000 ] - [ 0.0000207700000000, 0.0000346900000000, 0.0006331300000000 ] - [ -0.0001919500000000, 0.0001235500000000, -0.0001936000000000 ]- atom: 15 displacement: [ -0.0099998398488412, 0.0000000000000000, 0.0000565950309369 ] forces: - [ 0.0005813200000000, -0.0001374600000000, -0.0000945900000000 ] - [ -0.0037586100000000, -0.0014583000000000, -0.0068299000000000 ] - [ -0.0000953500000000, -0.0002018200000000, -0.0002294800000000 ] - [ 0.0001752800000000, 0.0002413900000000, 0.0001927700000000 ] - [ -0.0000427400000000, -0.0001011700000000, 0.0001071700000000 ] - [ -0.0001054900000000, 0.0003639300000000, -0.0001421500000000 ] - [ -0.0001151600000000, 0.0000933400000000, 0.0000658100000000 ] - [ 0.0001710200000000, -0.0003346200000000, 0.0001658200000000 ] - [ -0.0001536900000000, 0.0000449400000000, -0.0002341300000000 ] - [ -0.0001634400000000, 0.0001832200000000, 0.0001119300000000 ] - [ -0.0000051700000000, 0.0000399300000000, -0.0001160600000000 ] - [ 0.0000841800000000, -0.0000724000000000, -0.0000371900000000 ] - [ -0.0002834700000000, 0.0002909900000000, -0.0005561000000000 ] - [ -0.0001709800000000, -0.0002720100000000, 0.0003084600000000 ] - [ 0.1243452000000000, -0.0133493800000000, -0.0065515600000000 ] - [ -0.0000458100000000, 0.0001900800000000, 0.0003384400000000 ] - [ -0.0000200500000000, 0.0003114100000000, 0.0001893400000000 ] - [ 0.0002212600000000, -0.0003889300000000, -0.0001978100000000 ] - [ 0.0027715700000000, 0.0004556500000000, 0.0032746400000000 ] - [ -0.0002444900000000, -0.0002228400000000, -0.0001713900000000 ] - [ -0.0015248700000000, 0.0014385400000000, 0.0010874200000000 ] - [ -0.0021117100000000, -0.0002237500000000, -0.0017724700000000 ] - [ 0.0000769500000000, -0.0001596600000000, 0.0000391700000000 ] - [ 0.0000830300000000, -0.0000921700000000, 0.0002595800000000 ] - [ -0.0000333300000000, -0.0001234700000000, -0.0001728600000000 ] - [ 0.0001091600000000, -0.0001767500000000, -0.0001650800000000 ] - [ 0.0000577600000000, -0.0002402500000000, 0.0001284100000000 ] - [ 0.0001468300000000, -0.0003208300000000, 0.0000876200000000 ] - [ -0.0002193600000000, -0.0000549200000000, -0.0003205100000000 ] - [ -0.0001898100000000, -0.0001624000000000, 0.0002927300000000 ] - [ -0.0001159400000000, 0.0000975200000000, -0.0001321900000000 ] - [ 0.0000375500000000, -0.0001011200000000, -0.0000455700000000 ] - [ -0.0001243700000000, -0.0002157600000000, -0.0000705200000000 ] - [ -0.0240103400000000, 0.0164078200000000, -0.0155444600000000 ] - [ 0.0000096400000000, 0.0000895400000000, 0.0001650100000000 ] - [ -0.0003421200000000, 0.0000487400000000, -0.0002068600000000 ] - [ 0.0001726500000000, -0.0001617100000000, 0.0001155000000000 ] - [ -0.0000519700000000, 0.0001204400000000, 0.0000817800000000 ] - [ -0.0000408500000000, -0.0002627800000000, -0.0001141700000000 ] - [ 0.0052364900000000, 0.0017539400000000, 0.0027110600000000 ] - [ 0.0001745800000000, -0.0001965700000000, 0.0001636400000000 ] - [ -0.0001540100000000, -0.0000651300000000, -0.0003258200000000 ] - [ 0.0000707300000000, 0.0000246800000000, 0.0001139400000000 ] - [ 0.0001030200000000, -0.0001123100000000, -0.0000946800000000 ] - [ -0.0001357100000000, -0.0001948500000000, 0.0000584200000000 ] - [ -0.0001302700000000, -0.0000587000000000, -0.0001274300000000 ] - [ -0.0057715300000000, -0.0011095200000000, -0.0074225900000000 ] - [ 0.0001914900000000, -0.0001218900000000, 0.0001118900000000 ] - [ -0.0001634400000000, -0.0002886800000000, -0.0000389800000000 ] - [ 0.0006566000000000, 0.0000640700000000, 0.0001002800000000 ] - [ -0.0018534800000000, 0.0015139800000000, -0.0006134600000000 ] - [ 0.0000970300000000, -0.0001444000000000, -0.0001404200000000 ] - [ -0.0040870800000000, 0.0056891700000000, -0.0018677200000000 ] - [ -0.0001487000000000, 0.0003506900000000, -0.0001558600000000 ] - [ 0.0000151400000000, -0.0000100800000000, -0.0000513900000000 ] - [ -0.0018619900000000, 0.0000443000000000, 0.0001948800000000 ] - [ -0.0434699600000000, 0.0183862800000000, 0.0395682500000000 ] - [ -0.0001604300000000, -0.0002804000000000, 0.0001536500000000 ] - [ -0.0389867000000000, -0.0310151600000000, -0.0061510100000000 ] - [ -0.0004336800000000, -0.0002599400000000, -0.0001320500000000 ] - [ -0.0003236800000000, -0.0005779500000000, 0.0002201000000000 ] - [ 0.0000525700000000, 0.0002018100000000, -0.0000260800000000 ] - [ -0.0001033700000000, 0.0002205500000000, -0.0002097700000000 ] - [ 0.0000506800000000, -0.0001989000000000, 0.0000175000000000 ] - [ -0.0000271700000000, -0.0000022700000000, 0.0000463900000000 ] - [ -0.0000449600000000, 0.0001084100000000, -0.0000811200000000 ] - [ -0.0040905700000000, 0.0033130100000000, 0.0011399600000000 ] - [ -0.0006188200000000, -0.0001166200000000, -0.0007236400000000 ] - [ 0.0003043500000000, 0.0005894400000000, 0.0005443800000000 ] - [ -0.0000010900000000, -0.0000448600000000, 0.0000943200000000 ] - [ 0.0008727600000000, 0.0007725000000000, -0.0003627600000000 ] - [ -0.0000797900000000, 0.0002071600000000, 0.0002113900000000 ] - [ 0.0001454200000000, 0.0000812200000000, 0.0003098200000000 ] - [ -0.0002098600000000, 0.0000190200000000, 0.0002705000000000 ] - [ -0.0000640900000000, 0.0000022600000000, -0.0002352900000000 ] - [ -0.0000671300000000, 0.0001524800000000, -0.0000050600000000 ] - [ -0.0000653000000000, -0.0002839600000000, -0.0000310300000000 ] - [ -0.0000759900000000, -0.0000431200000000, -0.0000342000000000 ] - [ -0.0000331000000000, -0.0001497300000000, -0.0001414700000000 ] - [ 0.0000867800000000, -0.0003958700000000, -0.0001800000000000 ] - [ 0.0001390600000000, -0.0001232100000000, -0.0001019700000000 ] - [ -0.0000727600000000, 0.0001063900000000, 0.0002501100000000 ] - [ 0.0001758000000000, 0.0003579300000000, -0.0001434200000000 ] - [ -0.0002121100000000, 0.0002518500000000, -0.0001897800000000 ]- atom: 15 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0014754400000000, 0.0008904000000000, 0.0002178200000000 ] - [ -0.0008025800000000, -0.0004634200000000, -0.0050248200000000 ] - [ -0.0001035400000000, -0.0002016900000000, -0.0002507400000000 ] - [ 0.0000435100000000, 0.0001336500000000, 0.0000242100000000 ] - [ -0.0000117600000000, 0.0000576200000000, 0.0000094200000000 ] - [ -0.0002867100000000, 0.0001825900000000, 0.0000750000000000 ] - [ -0.0000804400000000, 0.0000988800000000, 0.0001841500000000 ] - [ 0.0001707100000000, -0.0003395600000000, 0.0001661200000000 ] - [ 0.0000357000000000, 0.0005597000000000, 0.0002068900000000 ] - [ -0.0002917900000000, 0.0003909600000000, 0.0001976400000000 ] - [ 0.0000439200000000, 0.0001060200000000, -0.0000775100000000 ] - [ -0.0001743100000000, -0.0002824700000000, -0.0000729800000000 ] - [ -0.0001175500000000, 0.0002959600000000, 0.0004983200000000 ] - [ 0.0002210200000000, -0.0001704000000000, 0.0003329800000000 ] - [ 0.0156820300000000, -0.1224667800000000, 0.0083371700000000 ] - [ -0.0000217700000000, -0.0000943800000000, -0.0000687000000000 ] - [ 0.0001314700000000, 0.0002957300000000, 0.0000587200000000 ] - [ 0.0002463800000000, -0.0004020700000000, -0.0001739300000000 ] - [ 0.0008312300000000, 0.0020569700000000, 0.0006888100000000 ] - [ 0.0000363500000000, -0.0003794500000000, 0.0006407800000000 ] - [ -0.0009453500000000, 0.0009835600000000, 0.0001264500000000 ] - [ 0.0006316700000000, -0.0002714200000000, 0.0006325400000000 ] - [ 0.0000577500000000, -0.0001586000000000, 0.0000363900000000 ] - [ 0.0000917000000000, -0.0000343000000000, 0.0002780000000000 ] - [ -0.0000391400000000, -0.0001267900000000, -0.0001589900000000 ] - [ 0.0001162000000000, -0.0001579700000000, -0.0001676600000000 ] - [ 0.0001298500000000, 0.0001102400000000, 0.0002582100000000 ] - [ 0.0001193400000000, -0.0002746000000000, 0.0000972000000000 ] - [ -0.0001372700000000, -0.0002853900000000, -0.0003507400000000 ] - [ 0.0000359600000000, -0.0001045500000000, 0.0001028400000000 ] - [ -0.0002134200000000, 0.0000893000000000, -0.0000488900000000 ] - [ 0.0000291000000000, -0.0001136500000000, -0.0000354500000000 ] - [ -0.0002248200000000, -0.0002732100000000, -0.0001626500000000 ] - [ -0.0292126900000000, 0.0474114500000000, -0.0373671900000000 ] - [ 0.0000090300000000, 0.0002178100000000, 0.0001092800000000 ] - [ -0.0004443800000000, 0.0000875200000000, -0.0004932600000000 ] - [ 0.0001829300000000, -0.0001738600000000, 0.0000960300000000 ] - [ -0.0000491000000000, 0.0001447700000000, 0.0000315000000000 ] - [ -0.0001372500000000, 0.0000799200000000, 0.0000523200000000 ] - [ -0.0033442400000000, 0.0057571900000000, -0.0012108000000000 ] - [ 0.0002251200000000, -0.0001905600000000, 0.0001980200000000 ] - [ -0.0001370600000000, 0.0000142400000000, -0.0000880400000000 ] - [ 0.0000756700000000, 0.0001014000000000, 0.0000842200000000 ] - [ 0.0001100700000000, -0.0001197200000000, -0.0001007000000000 ] - [ 0.0001609800000000, -0.0001165800000000, 0.0000102500000000 ] - [ -0.0001011700000000, -0.0002533100000000, 0.0001010700000000 ] - [ 0.0048268500000000, 0.0040860700000000, 0.0123131000000000 ] - [ 0.0001456300000000, -0.0001088100000000, 0.0001278600000000 ] - [ -0.0002658200000000, -0.0003537000000000, -0.0002459200000000 ] - [ -0.0008482300000000, -0.0001293600000000, 0.0004016500000000 ] - [ -0.0006610200000000, 0.0022840000000000, -0.0014338500000000 ] - [ 0.0000908300000000, -0.0001353800000000, -0.0001412500000000 ] - [ -0.0006373400000000, 0.0034164700000000, 0.0006441600000000 ] - [ -0.0001797400000000, 0.0003464800000000, -0.0002153800000000 ] - [ 0.0000177800000000, -0.0000013500000000, -0.0000487300000000 ] - [ 0.0012380200000000, 0.0005053300000000, -0.0004428600000000 ] - [ -0.0075552900000000, 0.0134118700000000, 0.0118847000000000 ] - [ 0.0000092000000000, -0.0000250000000000, 0.0002621100000000 ] - [ 0.0268616400000000, 0.0404371200000000, 0.0066970800000000 ] - [ -0.0001202700000000, -0.0001793600000000, 0.0004085700000000 ] - [ -0.0001360800000000, -0.0001611100000000, 0.0000453100000000 ] - [ -0.0001223500000000, 0.0001314300000000, 0.0002547200000000 ] - [ -0.0002194100000000, 0.0001728200000000, -0.0000407600000000 ] - [ 0.0000414500000000, -0.0001873700000000, 0.0000560100000000 ] - [ 0.0002020100000000, 0.0000063400000000, -0.0000090600000000 ] - [ -0.0000529900000000, 0.0000564000000000, -0.0001381900000000 ] - [ -0.0069667700000000, 0.0047987200000000, 0.0011594800000000 ] - [ 0.0010386300000000, -0.0011996500000000, 0.0000600400000000 ] - [ 0.0003512800000000, 0.0004855000000000, -0.0000210200000000 ] - [ 0.0000056200000000, -0.0000596500000000, 0.0001126300000000 ] - [ -0.0001294900000000, 0.0001411700000000, -0.0001825900000000 ] - [ -0.0000208600000000, 0.0001225800000000, -0.0000843700000000 ] - [ -0.0000890400000000, -0.0003005500000000, 0.0000065100000000 ] - [ 0.0000339200000000, 0.0000545700000000, 0.0004863000000000 ] - [ -0.0000549800000000, 0.0000105600000000, -0.0002227000000000 ] - [ -0.0000632200000000, 0.0001889100000000, 0.0000017400000000 ] - [ -0.0000558500000000, -0.0002716800000000, -0.0000210700000000 ] - [ -0.0002004700000000, -0.0001490000000000, 0.0002786300000000 ] - [ -0.0000382600000000, -0.0001873400000000, -0.0001394900000000 ] - [ -0.0002828400000000, -0.0003997600000000, -0.0000007600000000 ] - [ 0.0000969800000000, -0.0001275400000000, -0.0001429300000000 ] - [ -0.0000546100000000, 0.0001253400000000, 0.0000911600000000 ] - [ 0.0000443100000000, 0.0005789900000000, 0.0004793500000000 ] - [ -0.0002660500000000, 0.0000047500000000, -0.0002395100000000 ]- atom: 15 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010778700000000, -0.0004958500000000, 0.0001776700000000 ] - [ 0.0011205100000000, 0.0007061100000000, 0.0052763900000000 ] - [ -0.0001033300000000, -0.0001973300000000, -0.0002436700000000 ] - [ 0.0000325400000000, 0.0001734000000000, 0.0002400300000000 ] - [ -0.0000186500000000, -0.0000354000000000, 0.0000927800000000 ] - [ 0.0001728600000000, 0.0003811400000000, -0.0001365000000000 ] - [ -0.0001044100000000, 0.0001841100000000, 0.0000969100000000 ] - [ 0.0001838300000000, -0.0003308800000000, 0.0001704000000000 ] - [ -0.0002669500000000, -0.0002929300000000, 0.0000113300000000 ] - [ -0.0001838300000000, 0.0004040600000000, 0.0001313100000000 ] - [ -0.0000578400000000, -0.0000112600000000, -0.0001390400000000 ] - [ 0.0000470100000000, -0.0000395800000000, 0.0000040200000000 ] - [ 0.0000469000000000, -0.0000468500000000, -0.0008372900000000 ] - [ -0.0000143200000000, -0.0002303000000000, 0.0001603000000000 ] - [ -0.0128831300000000, 0.1236637800000000, -0.0065918800000000 ] - [ -0.0001284200000000, -0.0000780800000000, -0.0000930800000000 ] - [ -0.0000215700000000, 0.0002686700000000, 0.0000027200000000 ] - [ 0.0002298200000000, -0.0003926700000000, -0.0001570800000000 ] - [ -0.0007735600000000, -0.0020406000000000, -0.0007699300000000 ] - [ -0.0000653600000000, 0.0003733700000000, -0.0005368700000000 ] - [ 0.0010499400000000, -0.0006433400000000, -0.0000328100000000 ] - [ -0.0005632400000000, 0.0005008200000000, -0.0007023900000000 ] - [ 0.0000683400000000, -0.0001623000000000, 0.0000330900000000 ] - [ 0.0000303400000000, 0.0000285600000000, 0.0001944500000000 ] - [ -0.0000318400000000, -0.0001169900000000, -0.0001628300000000 ] - [ 0.0001126300000000, -0.0001594700000000, -0.0001729700000000 ] - [ -0.0000596900000000, -0.0003543100000000, 0.0000619200000000 ] - [ 0.0001417800000000, -0.0003402500000000, 0.0001050200000000 ] - [ -0.0002650600000000, -0.0000968800000000, -0.0000459500000000 ] - [ -0.0002641000000000, -0.0001595200000000, 0.0001234600000000 ] - [ -0.0000823900000000, 0.0001632200000000, -0.0001886900000000 ] - [ 0.0000399500000000, -0.0001104200000000, -0.0000429500000000 ] - [ -0.0000363100000000, -0.0003419100000000, -0.0000392300000000 ] - [ 0.0283090500000000, -0.0459623800000000, 0.0358337600000000 ] - [ -0.0001348000000000, 0.0001052300000000, -0.0001744600000000 ] - [ 0.0001045300000000, 0.0002499500000000, 0.0003006700000000 ] - [ 0.0001639400000000, -0.0001659000000000, 0.0001017500000000 ] - [ -0.0000214000000000, 0.0000797500000000, 0.0000480400000000 ] - [ 0.0000648100000000, -0.0003054900000000, 0.0000232100000000 ] - [ 0.0035023700000000, -0.0056157400000000, 0.0010031500000000 ] - [ 0.0001741400000000, -0.0001927200000000, 0.0001990100000000 ] - [ 0.0000595900000000, 0.0002936900000000, -0.0001786900000000 ] - [ 0.0000785100000000, 0.0000696400000000, 0.0000824900000000 ] - [ 0.0000978000000000, -0.0001184100000000, -0.0001033800000000 ] - [ -0.0000815800000000, -0.0001879300000000, 0.0002619800000000 ] - [ -0.0002476100000000, -0.0000864400000000, -0.0002977600000000 ] - [ -0.0048557200000000, -0.0040121600000000, -0.0121250700000000 ] - [ 0.0001499000000000, -0.0001441200000000, 0.0001101500000000 ] - [ -0.0000875600000000, -0.0003166000000000, -0.0000914300000000 ] - [ 0.0005643900000000, -0.0001230600000000, -0.0006436800000000 ] - [ 0.0008536600000000, -0.0020303600000000, 0.0011350100000000 ] - [ 0.0000936600000000, -0.0001481800000000, -0.0001393700000000 ] - [ 0.0004135100000000, -0.0029288300000000, -0.0011842800000000 ] - [ -0.0001743600000000, 0.0003236400000000, -0.0001212200000000 ] - [ 0.0000119600000000, -0.0000219200000000, -0.0000505200000000 ] - [ -0.0010921700000000, -0.0006719700000000, 0.0006079300000000 ] - [ 0.0075105300000000, -0.0133165900000000, -0.0125035200000000 ] - [ -0.0001930800000000, -0.0002596700000000, 0.0000164000000000 ] - [ -0.0280141200000000, -0.0418904900000000, -0.0066822400000000 ] - [ -0.0001085500000000, -0.0001378000000000, -0.0000714000000000 ] - [ -0.0003391400000000, -0.0006334300000000, 0.0002857500000000 ] - [ -0.0001068000000000, 0.0001849500000000, 0.0000856100000000 ] - [ -0.0000406500000000, 0.0004425800000000, -0.0001647400000000 ] - [ 0.0000541900000000, -0.0002009900000000, 0.0000190200000000 ] - [ -0.0002101700000000, -0.0001028400000000, -0.0002043900000000 ] - [ -0.0001022200000000, 0.0001134100000000, -0.0000291400000000 ] - [ 0.0073969300000000, -0.0041193600000000, -0.0007788800000000 ] - [ -0.0007898000000000, 0.0014327200000000, -0.0002944000000000 ] - [ -0.0002452300000000, -0.0000984300000000, 0.0000892500000000 ] - [ 0.0000031700000000, -0.0000361900000000, 0.0001022900000000 ] - [ 0.0005996700000000, 0.0006654800000000, -0.0001487400000000 ] - [ -0.0001875600000000, 0.0001170700000000, 0.0002899300000000 ] - [ 0.0001983500000000, -0.0002649100000000, 0.0000536500000000 ] - [ 0.0000822800000000, -0.0000517400000000, -0.0000145900000000 ] - [ -0.0000660400000000, -0.0000050900000000, -0.0002507000000000 ] - [ -0.0000324700000000, 0.0001993100000000, -0.0000772800000000 ] - [ -0.0000543800000000, -0.0002935800000000, -0.0000394100000000 ] - [ -0.0000076700000000, -0.0000877300000000, -0.0000751500000000 ] - [ -0.0000392800000000, -0.0001190300000000, -0.0001292500000000 ] - [ 0.0001891300000000, 0.0000219200000000, -0.0000772100000000 ] - [ 0.0001313800000000, -0.0001368200000000, -0.0000824500000000 ] - [ 0.0001243500000000, 0.0001188200000000, 0.0002295300000000 ] - [ 0.0001618300000000, -0.0001764400000000, 0.0000215800000000 ] - [ -0.0001358600000000, 0.0003750400000000, -0.0001554000000000 ]- atom: 15 displacement: [ -0.0027030911372206, 0.0000000000000000, 0.0096277358866911 ] forces: - [ -0.0009679200000000, 0.0000809200000000, 0.0012259900000000 ] - [ 0.0034898600000000, 0.0001338000000000, 0.0051749200000000 ] - [ -0.0001004400000000, -0.0002170600000000, -0.0002470200000000 ] - [ 0.0002133900000000, 0.0001247500000000, 0.0004173400000000 ] - [ 0.0000523300000000, -0.0000632000000000, 0.0000982200000000 ] - [ -0.0004620500000000, -0.0002158100000000, -0.0006113100000000 ] - [ -0.0000459300000000, 0.0001042500000000, 0.0001781200000000 ] - [ 0.0001773300000000, -0.0003373600000000, 0.0001789000000000 ] - [ 0.0005051900000000, 0.0000286300000000, 0.0010797600000000 ] - [ -0.0001422500000000, 0.0004847600000000, 0.0001215400000000 ] - [ 0.0000128200000000, 0.0000639900000000, -0.0001631200000000 ] - [ -0.0000679300000000, -0.0002227100000000, 0.0000699800000000 ] - [ 0.0002861400000000, 0.0007251800000000, -0.0028491900000000 ] - [ -0.0000434000000000, -0.0001140300000000, 0.0006720100000000 ] - [ 0.0395791700000000, 0.0037724500000000, -0.1028214100000000 ] - [ -0.0002469100000000, -0.0000729300000000, 0.0001795300000000 ] - [ -0.0000619200000000, 0.0002728100000000, 0.0001082500000000 ] - [ 0.0002380400000000, -0.0004111700000000, -0.0001497600000000 ] - [ 0.0014402000000000, 0.0039447700000000, 0.0080704200000000 ] - [ -0.0003747400000000, -0.0000900400000000, -0.0003366500000000 ] - [ -0.0016764000000000, 0.0005768700000000, 0.0032808200000000 ] - [ -0.0006880000000000, -0.0016831600000000, 0.0007685400000000 ] - [ 0.0000739600000000, -0.0001768800000000, 0.0000390300000000 ] - [ -0.0000640400000000, -0.0000778500000000, 0.0002151300000000 ] - [ -0.0000145500000000, -0.0001365300000000, -0.0001702900000000 ] - [ 0.0001163300000000, -0.0001706000000000, -0.0001760200000000 ] - [ 0.0001293400000000, -0.0001266000000000, 0.0003684000000000 ] - [ 0.0001481300000000, -0.0003140300000000, 0.0000827600000000 ] - [ -0.0001889700000000, -0.0003146700000000, -0.0002134600000000 ] - [ 0.0000539900000000, 0.0002033200000000, 0.0001102800000000 ] - [ -0.0002253200000000, 0.0001375200000000, -0.0001358400000000 ] - [ 0.0000221500000000, -0.0000871700000000, -0.0000246300000000 ] - [ -0.0001631000000000, -0.0003484000000000, -0.0004407900000000 ] - [ 0.0098115500000000, -0.0208715200000000, 0.0329248700000000 ] - [ 0.0000580200000000, 0.0001516000000000, -0.0000232100000000 ] - [ -0.0005403100000000, 0.0000594500000000, 0.0000576000000000 ] - [ 0.0001478800000000, -0.0001664900000000, 0.0001046900000000 ] - [ -0.0000937800000000, 0.0001521900000000, 0.0001241800000000 ] - [ 0.0000630800000000, -0.0001987400000000, -0.0000858700000000 ] - [ 0.0021636500000000, -0.0013088000000000, 0.0009103100000000 ] - [ 0.0001801200000000, -0.0001758400000000, 0.0001490000000000 ] - [ 0.0000527900000000, 0.0004751300000000, 0.0003640200000000 ] - [ 0.0001206800000000, 0.0001161000000000, 0.0000727600000000 ] - [ 0.0001032300000000, -0.0001259500000000, -0.0000976700000000 ] - [ -0.0000212600000000, -0.0001873900000000, 0.0002659700000000 ] - [ -0.0001825100000000, -0.0002705200000000, 0.0000086500000000 ] - [ 0.0017917300000000, 0.0028869900000000, 0.0043579000000000 ] - [ 0.0001956700000000, -0.0001070900000000, 0.0000961900000000 ] - [ -0.0002018800000000, -0.0003196200000000, -0.0004333300000000 ] - [ 0.0005063100000000, 0.0004375400000000, 0.0006689600000000 ] - [ -0.0000856100000000, -0.0001329200000000, 0.0029019200000000 ] - [ 0.0000924900000000, -0.0001464800000000, -0.0001469100000000 ] - [ -0.0019168900000000, 0.0049296000000000, -0.0079494200000000 ] - [ -0.0002075700000000, 0.0003619600000000, -0.0003362100000000 ] - [ 0.0000443100000000, -0.0000043200000000, -0.0000664500000000 ] - [ -0.0014725500000000, -0.0000799700000000, -0.0007003400000000 ] - [ -0.0394105300000000, 0.0182625500000000, 0.0544741900000000 ] - [ 0.0000106900000000, -0.0002779000000000, 0.0002075800000000 ] - [ -0.0121279700000000, -0.0099096600000000, 0.0041689100000000 ] - [ -0.0006844300000000, -0.0000828200000000, 0.0000835300000000 ] - [ -0.0000081300000000, -0.0002974800000000, 0.0000489500000000 ] - [ -0.0000486500000000, 0.0001895400000000, 0.0001832700000000 ] - [ -0.0000222900000000, 0.0002307100000000, -0.0002969500000000 ] - [ 0.0000424700000000, -0.0001904700000000, 0.0000390100000000 ] - [ -0.0001312700000000, 0.0000444600000000, -0.0000242800000000 ] - [ -0.0000905700000000, 0.0000072200000000, -0.0001730500000000 ] - [ 0.0000350100000000, -0.0003354700000000, -0.0064664100000000 ] - [ 0.0001140800000000, -0.0007209600000000, -0.0010942800000000 ] - [ -0.0000489500000000, 0.0007268100000000, 0.0011621500000000 ] - [ -0.0000091700000000, -0.0000308000000000, 0.0001106100000000 ] - [ 0.0003856800000000, 0.0006822700000000, -0.0000976300000000 ] - [ 0.0000167700000000, -0.0000120300000000, -0.0000794300000000 ] - [ -0.0000183900000000, -0.0002007200000000, 0.0003579700000000 ] - [ 0.0004797500000000, 0.0004571700000000, 0.0002289600000000 ] - [ -0.0000562900000000, 0.0000236000000000, -0.0002415200000000 ] - [ -0.0000709200000000, 0.0001701100000000, 0.0000180500000000 ] - [ -0.0000798700000000, -0.0002805800000000, -0.0000654500000000 ] - [ -0.0002284100000000, -0.0000639100000000, 0.0000568500000000 ] - [ -0.0000529100000000, -0.0002101500000000, -0.0001734800000000 ] - [ 0.0002379500000000, -0.0001707200000000, 0.0002530300000000 ] - [ 0.0001310000000000, -0.0000874900000000, -0.0001188800000000 ] - [ -0.0000405500000000, 0.0001074700000000, -0.0000178600000000 ] - [ 0.0000978400000000, 0.0006530900000000, 0.0004380000000000 ] - [ -0.0000356400000000, 0.0003674800000000, -0.0002498800000000 ]- atom: 15 displacement: [ 0.0027030911372206, 0.0000000000000000, -0.0096277358866911 ] forces: - [ 0.0013539700000000, 0.0002911100000000, -0.0008487400000000 ] - [ -0.0032537900000000, 0.0001878000000000, -0.0049265800000000 ] - [ -0.0001050000000000, -0.0001823500000000, -0.0002446800000000 ] - [ -0.0001371700000000, 0.0001828500000000, -0.0001387700000000 ] - [ -0.0000854000000000, 0.0000887100000000, 0.0000158600000000 ] - [ 0.0003472000000000, 0.0007759500000000, 0.0005446100000000 ] - [ -0.0001413800000000, 0.0001818900000000, 0.0001093200000000 ] - [ 0.0001818200000000, -0.0003337100000000, 0.0001632200000000 ] - [ -0.0007173800000000, 0.0002391000000000, -0.0008466800000000 ] - [ -0.0003310200000000, 0.0003054200000000, 0.0002050000000000 ] - [ -0.0000126700000000, 0.0000287600000000, -0.0000460800000000 ] - [ -0.0000632500000000, -0.0001027500000000, -0.0001343100000000 ] - [ -0.0003548200000000, -0.0004800400000000, 0.0025407300000000 ] - [ 0.0002537900000000, -0.0002858900000000, -0.0001821800000000 ] - [ -0.0414199000000000, -0.0028607000000000, 0.1048707500000000 ] - [ 0.0001035800000000, -0.0000941700000000, -0.0003551500000000 ] - [ 0.0001752900000000, 0.0002886700000000, -0.0000402000000000 ] - [ 0.0002348900000000, -0.0003830100000000, -0.0001759600000000 ] - [ -0.0013606400000000, -0.0040329600000000, -0.0083401600000000 ] - [ 0.0003448200000000, 0.0000611300000000, 0.0004530800000000 ] - [ 0.0018039300000000, -0.0002568100000000, -0.0032377500000000 ] - [ 0.0007479300000000, 0.0019173700000000, -0.0008794900000000 ] - [ 0.0000553300000000, -0.0001471300000000, 0.0000243700000000 ] - [ 0.0001748800000000, 0.0000796600000000, 0.0002680300000000 ] - [ -0.0000557400000000, -0.0001083000000000, -0.0001462700000000 ] - [ 0.0001153400000000, -0.0001504600000000, -0.0001684900000000 ] - [ -0.0000598400000000, -0.0001175900000000, -0.0000520100000000 ] - [ 0.0001134400000000, -0.0003057700000000, 0.0001238200000000 ] - [ -0.0001987400000000, -0.0000619600000000, -0.0001740500000000 ] - [ -0.0002823500000000, -0.0004610900000000, 0.0001082200000000 ] - [ -0.0000721900000000, 0.0001199600000000, -0.0000929500000000 ] - [ 0.0000424900000000, -0.0001291700000000, -0.0000600600000000 ] - [ -0.0000985900000000, -0.0002707000000000, 0.0002382200000000 ] - [ -0.0097210100000000, 0.0215573600000000, -0.0334021100000000 ] - [ -0.0001868700000000, 0.0001756900000000, -0.0000410700000000 ] - [ 0.0001937100000000, 0.0002765200000000, -0.0002557100000000 ] - [ 0.0001926100000000, -0.0001700100000000, 0.0001003800000000 ] - [ 0.0000287800000000, 0.0000630700000000, -0.0000372200000000 ] - [ -0.0001277700000000, -0.0000153200000000, 0.0001724900000000 ] - [ -0.0019855900000000, 0.0015852800000000, -0.0011228500000000 ] - [ 0.0002138400000000, -0.0002015300000000, 0.0002369200000000 ] - [ -0.0001250600000000, -0.0001635800000000, -0.0006350700000000 ] - [ 0.0000288200000000, 0.0000537400000000, 0.0000937300000000 ] - [ 0.0001008500000000, -0.0001074900000000, -0.0000995500000000 ] - [ 0.0000946600000000, -0.0001237100000000, 0.0000108600000000 ] - [ -0.0001589800000000, -0.0000641600000000, -0.0002159800000000 ] - [ -0.0017573600000000, -0.0028126000000000, -0.0040990400000000 ] - [ 0.0001017100000000, -0.0001487400000000, 0.0001332300000000 ] - [ -0.0001564700000000, -0.0003509200000000, 0.0000939100000000 ] - [ -0.0007957500000000, -0.0006963500000000, -0.0009033400000000 ] - [ 0.0002754400000000, 0.0003887900000000, -0.0032142700000000 ] - [ 0.0000961000000000, -0.0001392100000000, -0.0001382900000000 ] - [ 0.0017161900000000, -0.0045553400000000, 0.0074821400000000 ] - [ -0.0001521200000000, 0.0003097600000000, -0.0000097900000000 ] - [ -0.0000106300000000, -0.0000213800000000, -0.0000450200000000 ] - [ 0.0016354500000000, -0.0001050900000000, 0.0008581100000000 ] - [ 0.0413072600000000, -0.0190639000000000, -0.0566523300000000 ] - [ -0.0001980900000000, -0.0000097100000000, 0.0000758100000000 ] - [ 0.0127002300000000, 0.0103914000000000, -0.0038987100000000 ] - [ 0.0004478500000000, -0.0002367000000000, 0.0002671700000000 ] - [ -0.0004655200000000, -0.0004987200000000, 0.0002753900000000 ] - [ -0.0001851200000000, 0.0001307400000000, 0.0001613000000000 ] - [ -0.0002379100000000, 0.0003886400000000, 0.0000857900000000 ] - [ 0.0000575200000000, -0.0002003300000000, 0.0000274800000000 ] - [ 0.0001319000000000, -0.0001374500000000, -0.0001849500000000 ] - [ -0.0000582600000000, 0.0001646900000000, 0.0000083500000000 ] - [ 0.0002762900000000, 0.0010879000000000, 0.0068589400000000 ] - [ 0.0001283200000000, 0.0009874100000000, 0.0008843900000000 ] - [ 0.0001504200000000, -0.0003391900000000, -0.0011006900000000 ] - [ 0.0000096300000000, -0.0000621200000000, 0.0000986500000000 ] - [ 0.0000828100000000, 0.0001064900000000, -0.0002226100000000 ] - [ -0.0002196100000000, 0.0002430000000000, 0.0002713500000000 ] - [ 0.0001332600000000, -0.0003580100000000, -0.0002937000000000 ] - [ -0.0003695500000000, -0.0004702900000000, 0.0002556000000000 ] - [ -0.0000570100000000, -0.0000259500000000, -0.0002389200000000 ] - [ -0.0000289600000000, 0.0002211900000000, -0.0000828800000000 ] - [ -0.0000340500000000, -0.0002796700000000, -0.0000014100000000 ] - [ 0.0000261200000000, -0.0001700400000000, 0.0001402300000000 ] - [ -0.0000213100000000, -0.0001010400000000, -0.0001055000000000 ] - [ -0.0003379000000000, -0.0002126900000000, -0.0003216800000000 ] - [ 0.0000978500000000, -0.0001719900000000, -0.0000998200000000 ] - [ 0.0001112500000000, 0.0001385800000000, 0.0003309500000000 ] - [ 0.0001105500000000, -0.0002483500000000, 0.0000595600000000 ] - [ -0.0003574100000000, 0.0000075300000000, -0.0001348900000000 ]- atom: 16 displacement: [ 0.0099998398488412, 0.0000000000000000, -0.0000565950309369 ] forces: - [ 0.0026866000000000, -0.0005047600000000, -0.0000023900000000 ] - [ 0.0003688100000000, 0.0001179300000000, -0.0011577700000000 ] - [ -0.0000646000000000, -0.0002818200000000, -0.0002279900000000 ] - [ 0.0002639600000000, 0.0010439900000000, 0.0002479400000000 ] - [ -0.0002588400000000, -0.0000604500000000, 0.0000638300000000 ] - [ -0.0001355400000000, -0.0003129300000000, 0.0001762800000000 ] - [ 0.0000030600000000, -0.0020360100000000, -0.0002628400000000 ] - [ 0.0001882800000000, -0.0003008400000000, 0.0000850700000000 ] - [ 0.0705382600000000, 0.0085914300000000, -0.0114909800000000 ] - [ 0.0168206600000000, 0.0240477700000000, 0.0063170100000000 ] - [ 0.0006573000000000, 0.0006688100000000, 0.0001498200000000 ] - [ -0.0000568100000000, -0.0001719800000000, -0.0000579900000000 ] - [ -0.0001911900000000, 0.0000247800000000, -0.0002126200000000 ] - [ 0.0000978700000000, -0.0002123000000000, 0.0002579200000000 ] - [ 0.0001056800000000, 0.0003659100000000, -0.0000882200000000 ] - [ -0.1084554100000000, -0.0304668100000000, 0.0038834700000000 ] - [ 0.0002838000000000, 0.0002757200000000, -0.0003987500000000 ] - [ 0.0001840500000000, -0.0003822900000000, -0.0001453900000000 ] - [ -0.0000181800000000, 0.0000079400000000, -0.0004688500000000 ] - [ 0.0001315400000000, -0.0000719300000000, 0.0001935600000000 ] - [ -0.0000542900000000, 0.0002014000000000, 0.0001030200000000 ] - [ 0.0001309900000000, 0.0004590600000000, 0.0000154100000000 ] - [ 0.0000809900000000, -0.0001603400000000, -0.0000544100000000 ] - [ 0.0010358100000000, -0.0013109100000000, 0.0022694300000000 ] - [ -0.0000020200000000, -0.0001309600000000, -0.0001566800000000 ] - [ 0.0000395600000000, -0.0002103100000000, -0.0001525100000000 ] - [ 0.0000514800000000, -0.0001241200000000, 0.0001530200000000 ] - [ 0.0000997800000000, -0.0003375800000000, 0.0000768400000000 ] - [ -0.0001842600000000, -0.0001668000000000, -0.0001817400000000 ] - [ -0.0001192400000000, -0.0001342300000000, 0.0001411200000000 ] - [ -0.0005690500000000, -0.0005168700000000, 0.0018531900000000 ] - [ 0.0001481400000000, -0.0000925800000000, -0.0001022400000000 ] - [ -0.0001262900000000, -0.0003138100000000, -0.0000523900000000 ] - [ 0.0000797500000000, -0.0002923200000000, -0.0003208600000000 ] - [ 0.0005225300000000, 0.0024170000000000, 0.0007025600000000 ] - [ 0.0003145200000000, 0.0007558500000000, 0.0008099700000000 ] - [ 0.0000628300000000, -0.0001225800000000, 0.0002248300000000 ] - [ -0.0004416900000000, 0.0003057300000000, -0.0004172900000000 ] - [ -0.0000747000000000, -0.0001863200000000, 0.0001334700000000 ] - [ 0.0001415600000000, 0.0001020200000000, 0.0000303300000000 ] - [ 0.0001380100000000, -0.0001600900000000, 0.0003203200000000 ] - [ 0.0000212800000000, -0.0002538300000000, 0.0002342600000000 ] - [ 0.0001416400000000, 0.0000964400000000, 0.0000052700000000 ] - [ 0.0000605200000000, -0.0001727900000000, -0.0001566100000000 ] - [ 0.0000629400000000, -0.0001815200000000, 0.0000957700000000 ] - [ -0.0000430400000000, -0.0000971300000000, -0.0003380100000000 ] - [ 0.0001842600000000, 0.0005380800000000, 0.0000055600000000 ] - [ -0.0000734200000000, 0.0000533600000000, 0.0002172000000000 ] - [ -0.0001894900000000, -0.0003452300000000, -0.0001368100000000 ] - [ -0.0000490300000000, -0.0001361900000000, -0.0001752500000000 ] - [ 0.0000135900000000, 0.0001855200000000, -0.0003505400000000 ] - [ 0.0001158000000000, -0.0001279100000000, -0.0002292500000000 ] - [ -0.0002773600000000, 0.0000565400000000, -0.0004321700000000 ] - [ 0.0001322600000000, 0.0001057600000000, -0.0000592300000000 ] - [ -0.0002717800000000, -0.0000458600000000, -0.0001732400000000 ] - [ 0.0116103500000000, -0.0004286100000000, 0.0146576400000000 ] - [ -0.0003757800000000, -0.0002105400000000, 0.0005738400000000 ] - [ -0.0001023000000000, -0.0001489600000000, 0.0001845800000000 ] - [ 0.0002842400000000, 0.0003003700000000, 0.0001311500000000 ] - [ -0.0001069500000000, -0.0001453100000000, 0.0001481500000000 ] - [ -0.0002617800000000, -0.0003831000000000, 0.0001930200000000 ] - [ 0.0032807500000000, -0.0019266700000000, -0.0000699600000000 ] - [ 0.0018615800000000, -0.0008597800000000, -0.0011499800000000 ] - [ 0.0001048600000000, -0.0003276700000000, 0.0000040700000000 ] - [ -0.0000302300000000, -0.0000051700000000, -0.0001625100000000 ] - [ -0.0000549500000000, 0.0001093800000000, -0.0001014700000000 ] - [ 0.0002540100000000, 0.0003451500000000, 0.0001138200000000 ] - [ -0.0010150400000000, 0.0003440100000000, -0.0077301500000000 ] - [ 0.0001464700000000, 0.0002434800000000, 0.0004315500000000 ] - [ -0.0001376300000000, 0.0001145000000000, 0.0002019100000000 ] - [ 0.0006883400000000, 0.0031365800000000, 0.0007427700000000 ] - [ 0.0006007400000000, 0.0000831700000000, -0.0011512200000000 ] - [ 0.0000524600000000, -0.0002895000000000, -0.0000414300000000 ] - [ 0.0000103000000000, -0.0000473700000000, 0.0002645200000000 ] - [ 0.0000438900000000, -0.0000535800000000, -0.0003457600000000 ] - [ -0.0004210800000000, -0.0002023100000000, 0.0004334600000000 ] - [ -0.0000497600000000, -0.0002107000000000, -0.0000533300000000 ] - [ -0.0000873600000000, -0.0001486600000000, 0.0001073000000000 ] - [ 0.0001013800000000, -0.0001184600000000, -0.0003245100000000 ] - [ -0.0001029900000000, -0.0002203600000000, -0.0000494500000000 ] - [ 0.0001732400000000, -0.0000136200000000, -0.0000738900000000 ] - [ -0.0050179800000000, -0.0011405300000000, -0.0013706200000000 ] - [ 0.0079472100000000, 0.0007709900000000, -0.0011320700000000 ] - [ -0.0036479500000000, 0.0014346300000000, -0.0051948800000000 ]- atom: 16 displacement: [ -0.0099998398488412, 0.0000000000000000, 0.0000565950309369 ] forces: - [ -0.0022819100000000, 0.0008810700000000, 0.0003825000000000 ] - [ -0.0000703300000000, 0.0001357300000000, 0.0013873400000000 ] - [ -0.0001441600000000, -0.0001157400000000, -0.0002618500000000 ] - [ -0.0001759400000000, -0.0007730200000000, 0.0000019400000000 ] - [ 0.0002309800000000, 0.0000814100000000, 0.0000450200000000 ] - [ 0.0000283200000000, 0.0008705300000000, -0.0002389800000000 ] - [ -0.0001884600000000, 0.0023224100000000, 0.0005613100000000 ] - [ 0.0001645700000000, -0.0003680500000000, 0.0002533200000000 ] - [ -0.0738618700000000, -0.0093511400000000, 0.0127518000000000 ] - [ -0.0173760100000000, -0.0232172500000000, -0.0058806700000000 ] - [ -0.0006623900000000, -0.0005744600000000, -0.0003756800000000 ] - [ -0.0000711300000000, -0.0001499400000000, -0.0000055000000000 ] - [ 0.0001100000000000, 0.0002175500000000, -0.0001032100000000 ] - [ 0.0001105000000000, -0.0001854900000000, 0.0002316700000000 ] - [ 0.0001550500000000, 0.0002484700000000, 0.0002955400000000 ] - [ 0.1115593900000000, 0.0314020100000000, -0.0055269800000000 ] - [ -0.0001526000000000, 0.0003236100000000, 0.0004125700000000 ] - [ 0.0002892500000000, -0.0004147600000000, -0.0001845100000000 ] - [ 0.0000436300000000, 0.0000130600000000, 0.0003692800000000 ] - [ -0.0001667600000000, 0.0000482200000000, -0.0000908700000000 ] - [ 0.0001828300000000, 0.0001201300000000, -0.0000388000000000 ] - [ -0.0000627300000000, -0.0002349000000000, -0.0000946400000000 ] - [ 0.0000458400000000, -0.0001617100000000, 0.0001177500000000 ] - [ -0.0009061500000000, 0.0012791300000000, -0.0017959700000000 ] - [ -0.0000697700000000, -0.0001118200000000, -0.0001588200000000 ] - [ 0.0001895900000000, -0.0001070200000000, -0.0001923400000000 ] - [ 0.0000201200000000, -0.0001188700000000, 0.0001626800000000 ] - [ 0.0001590000000000, -0.0002767800000000, 0.0001281800000000 ] - [ -0.0002124000000000, -0.0002140500000000, -0.0002140200000000 ] - [ -0.0001126700000000, -0.0001287100000000, 0.0000840500000000 ] - [ 0.0002581300000000, 0.0007865200000000, -0.0020689100000000 ] - [ -0.0000802700000000, -0.0001307200000000, 0.0000201000000000 ] - [ -0.0001344700000000, -0.0002998000000000, -0.0001519700000000 ] - [ 0.0001502600000000, 0.0006119400000000, -0.0000213600000000 ] - [ -0.0006652700000000, -0.0021137800000000, -0.0008022600000000 ] - [ -0.0006261500000000, -0.0004091000000000, -0.0009969200000000 ] - [ 0.0002843700000000, -0.0002185000000000, -0.0000271100000000 ] - [ 0.0003613700000000, -0.0000741100000000, 0.0004895400000000 ] - [ 0.0000065000000000, -0.0000366500000000, -0.0000555100000000 ] - [ 0.0000682100000000, 0.0001352600000000, -0.0002344000000000 ] - [ 0.0002602200000000, -0.0002208900000000, 0.0000726100000000 ] - [ -0.0000918800000000, 0.0005592400000000, -0.0004980500000000 ] - [ 0.0000131400000000, 0.0000741100000000, 0.0001607700000000 ] - [ 0.0001502900000000, -0.0000650200000000, -0.0000458000000000 ] - [ 0.0000112300000000, -0.0001276900000000, 0.0001736300000000 ] - [ -0.0003011600000000, -0.0002436700000000, 0.0001374900000000 ] - [ -0.0001785700000000, -0.0004432700000000, 0.0002078100000000 ] - [ 0.0003756000000000, -0.0003026900000000, 0.0000208500000000 ] - [ -0.0001630000000000, -0.0003246500000000, -0.0002005800000000 ] - [ -0.0002496900000000, -0.0001198700000000, -0.0000624100000000 ] - [ 0.0001735000000000, 0.0001055600000000, 0.0000607800000000 ] - [ 0.0000681600000000, -0.0001561100000000, -0.0000560900000000 ] - [ 0.0000703300000000, 0.0003392300000000, -0.0000564100000000 ] - [ -0.0004834000000000, 0.0005875300000000, -0.0002725300000000 ] - [ 0.0003118800000000, 0.0000244800000000, 0.0000677800000000 ] - [ -0.0113855200000000, 0.0001594200000000, -0.0142435100000000 ] - [ 0.0002648900000000, 0.0002160200000000, -0.0010401200000000 ] - [ -0.0000814100000000, -0.0001351900000000, 0.0001001900000000 ] - [ 0.0000588200000000, 0.0000406600000000, 0.0000681100000000 ] - [ -0.0001228800000000, -0.0001708300000000, 0.0001962800000000 ] - [ -0.0002114900000000, -0.0004157000000000, 0.0001355200000000 ] - [ -0.0035808300000000, 0.0023071100000000, 0.0004310900000000 ] - [ -0.0020571300000000, 0.0014655000000000, 0.0009668500000000 ] - [ -0.0000065400000000, -0.0000654100000000, 0.0000716100000000 ] - [ 0.0000246900000000, -0.0000885500000000, -0.0000533400000000 ] - [ -0.0000992100000000, 0.0000611800000000, -0.0000628500000000 ] - [ 0.0000994300000000, 0.0003271300000000, 0.0002225600000000 ] - [ 0.0012395800000000, -0.0000885800000000, 0.0074972800000000 ] - [ -0.0000486600000000, 0.0001516400000000, -0.0003508100000000 ] - [ 0.0001373500000000, -0.0002098600000000, 0.0000191400000000 ] - [ -0.0001811900000000, -0.0023396500000000, -0.0010514300000000 ] - [ -0.0008141700000000, 0.0001377600000000, 0.0013435000000000 ] - [ 0.0000602400000000, -0.0002718800000000, 0.0001031200000000 ] - [ 0.0001109000000000, 0.0000521100000000, 0.0002108200000000 ] - [ -0.0001653500000000, 0.0000621800000000, -0.0001328600000000 ] - [ 0.0003128500000000, 0.0006147800000000, -0.0004906400000000 ] - [ -0.0000638200000000, -0.0003501800000000, -0.0000032700000000 ] - [ -0.0001222800000000, -0.0000884600000000, 0.0000964300000000 ] - [ -0.0001780800000000, -0.0001959800000000, 0.0000548800000000 ] - [ 0.0000051200000000, -0.0001725700000000, -0.0000254200000000 ] - [ 0.0000575000000000, -0.0002525100000000, -0.0001514100000000 ] - [ 0.0050890000000000, 0.0013723600000000, 0.0016750300000000 ] - [ -0.0079388800000000, -0.0003969800000000, 0.0016929100000000 ] - [ 0.0032338500000000, -0.0011024900000000, 0.0048371900000000 ]- atom: 16 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001686700000000, 0.0002124900000000, 0.0005462100000000 ] - [ 0.0002877100000000, 0.0002494900000000, 0.0002249900000000 ] - [ -0.0000941400000000, -0.0002014500000000, -0.0001660300000000 ] - [ 0.0008226300000000, 0.0005318700000000, -0.0002058900000000 ] - [ -0.0001512800000000, 0.0000224800000000, 0.0000425000000000 ] - [ -0.0003607600000000, 0.0025162500000000, 0.0004469600000000 ] - [ -0.0021504100000000, 0.0037906700000000, 0.0004841800000000 ] - [ 0.0001725800000000, -0.0003572600000000, 0.0001564000000000 ] - [ 0.0241007100000000, 0.0174291600000000, -0.0086174200000000 ] - [ 0.0093524800000000, 0.0717340000000000, 0.0105037100000000 ] - [ 0.0004362900000000, -0.0004828000000000, 0.0003598700000000 ] - [ -0.0000820900000000, -0.0001663000000000, -0.0000021200000000 ] - [ -0.0001742100000000, -0.0003491800000000, -0.0004891800000000 ] - [ 0.0001177200000000, -0.0002128500000000, 0.0002625400000000 ] - [ -0.0001529200000000, 0.0002916900000000, 0.0000287100000000 ] - [ -0.0316570200000000, -0.1089011600000000, -0.0110907400000000 ] - [ 0.0016168500000000, -0.0027228300000000, 0.0060455200000000 ] - [ 0.0002561600000000, -0.0004400500000000, -0.0001792800000000 ] - [ 0.0001642600000000, -0.0000825900000000, -0.0004495300000000 ] - [ 0.0000157600000000, 0.0000966100000000, -0.0000694800000000 ] - [ 0.0000322900000000, 0.0000817500000000, -0.0001397700000000 ] - [ 0.0005479100000000, 0.0004119100000000, 0.0000166900000000 ] - [ 0.0000725400000000, -0.0001053400000000, 0.0001328900000000 ] - [ -0.0015377800000000, 0.0010121100000000, -0.0017823300000000 ] - [ -0.0000500400000000, -0.0001320500000000, -0.0001557500000000 ] - [ 0.0000850900000000, -0.0000870300000000, -0.0001040700000000 ] - [ 0.0000327600000000, -0.0001062300000000, 0.0001724600000000 ] - [ 0.0001494700000000, -0.0003274500000000, 0.0001824900000000 ] - [ -0.0002470400000000, -0.0002412200000000, -0.0001689200000000 ] - [ -0.0001050500000000, -0.0001374500000000, 0.0001149200000000 ] - [ -0.0005479000000000, -0.0005138400000000, -0.0007416100000000 ] - [ 0.0001641200000000, -0.0001303600000000, -0.0001750300000000 ] - [ -0.0000643200000000, -0.0002835500000000, -0.0000444200000000 ] - [ 0.0000398000000000, -0.0001060000000000, -0.0002065900000000 ] - [ 0.0020868300000000, 0.0006846800000000, -0.0007570200000000 ] - [ 0.0000151900000000, 0.0011043100000000, 0.0012166300000000 ] - [ 0.0001838300000000, -0.0002604800000000, 0.0001222200000000 ] - [ 0.0006108200000000, 0.0006590800000000, -0.0001173700000000 ] - [ -0.0000153200000000, -0.0000909800000000, 0.0000449300000000 ] - [ 0.0001993400000000, 0.0001598900000000, -0.0000499800000000 ] - [ 0.0002140900000000, -0.0000971100000000, 0.0002202700000000 ] - [ -0.0002532400000000, 0.0002483000000000, -0.0000504700000000 ] - [ 0.0000783400000000, 0.0001415800000000, 0.0000746300000000 ] - [ 0.0001089000000000, 0.0000132700000000, -0.0000305600000000 ] - [ 0.0000225900000000, -0.0001910900000000, 0.0001510700000000 ] - [ -0.0001937700000000, -0.0001198600000000, -0.0000823600000000 ] - [ 0.0004333000000000, 0.0002742200000000, 0.0002302400000000 ] - [ 0.0000230800000000, -0.0001957400000000, 0.0001539400000000 ] - [ -0.0001843800000000, -0.0003218100000000, -0.0001468700000000 ] - [ -0.0002161000000000, 0.0000564000000000, -0.0000900200000000 ] - [ -0.0003756100000000, -0.0000723500000000, -0.0002350900000000 ] - [ 0.0000848500000000, -0.0001325800000000, 0.0000084000000000 ] - [ -0.0005313100000000, 0.0001486900000000, -0.0003533900000000 ] - [ -0.0015969700000000, 0.0027303400000000, 0.0008796700000000 ] - [ 0.0002846000000000, -0.0003343700000000, -0.0001819500000000 ] - [ 0.0004704200000000, 0.0119539000000000, 0.0098671400000000 ] - [ -0.0006297000000000, -0.0005836800000000, 0.0006451300000000 ] - [ -0.0001093400000000, -0.0001505400000000, 0.0001476500000000 ] - [ 0.0001500100000000, 0.0003318000000000, 0.0001403400000000 ] - [ -0.0001059500000000, -0.0001911700000000, 0.0002300000000000 ] - [ -0.0001787200000000, -0.0003961500000000, 0.0001629000000000 ] - [ -0.0024224600000000, 0.0003994500000000, 0.0003663600000000 ] - [ -0.0000031700000000, 0.0008848000000000, -0.0000698600000000 ] - [ 0.0000208800000000, -0.0000313100000000, 0.0002138200000000 ] - [ 0.0000706000000000, -0.0000459500000000, -0.0002391400000000 ] - [ -0.0000908400000000, 0.0000646700000000, -0.0000436500000000 ] - [ 0.0000274900000000, 0.0001704700000000, 0.0000166800000000 ] - [ 0.0027923300000000, -0.0005013500000000, -0.0001627100000000 ] - [ 0.0001369100000000, 0.0007381900000000, -0.0012471100000000 ] - [ 0.0001454400000000, -0.0002284300000000, -0.0000209400000000 ] - [ -0.0000900800000000, -0.0015016500000000, -0.0067403700000000 ] - [ 0.0002872900000000, 0.0004835400000000, -0.0008290800000000 ] - [ 0.0000387700000000, -0.0003044000000000, -0.0000550800000000 ] - [ 0.0000254800000000, 0.0000413600000000, 0.0002033400000000 ] - [ -0.0001683600000000, -0.0000464000000000, -0.0003550600000000 ] - [ -0.0007056100000000, -0.0007229000000000, -0.0023593300000000 ] - [ 0.0000023300000000, -0.0002651000000000, -0.0000683800000000 ] - [ -0.0001212700000000, -0.0001182400000000, 0.0001117300000000 ] - [ -0.0001354000000000, -0.0000929800000000, -0.0000957000000000 ] - [ -0.0000373200000000, -0.0002228300000000, -0.0000600000000000 ] - [ 0.0001038200000000, -0.0002228600000000, -0.0001520600000000 ] - [ 0.0006049000000000, 0.0080965300000000, 0.0015450200000000 ] - [ -0.0017607100000000, -0.0045449400000000, 0.0022339500000000 ] - [ -0.0002203000000000, 0.0003083000000000, 0.0006746000000000 ]- atom: 16 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005637400000000, 0.0001622000000000, -0.0001293300000000 ] - [ 0.0000298500000000, 0.0000187100000000, -0.0000089100000000 ] - [ -0.0001373200000000, -0.0001861600000000, -0.0003310200000000 ] - [ -0.0007178800000000, -0.0002287800000000, 0.0004391300000000 ] - [ 0.0001140800000000, -0.0000024000000000, 0.0000620300000000 ] - [ 0.0002539600000000, -0.0019477900000000, -0.0004888300000000 ] - [ 0.0019038900000000, -0.0034323000000000, -0.0001745300000000 ] - [ 0.0001611100000000, -0.0003049000000000, 0.0001699600000000 ] - [ -0.0243466500000000, -0.0170679100000000, 0.0089450200000000 ] - [ -0.0088268700000000, -0.0679147900000000, -0.0092619900000000 ] - [ -0.0004527500000000, 0.0005749900000000, -0.0006050000000000 ] - [ -0.0000194100000000, -0.0001311400000000, -0.0000690600000000 ] - [ 0.0000859700000000, 0.0005739600000000, 0.0001606900000000 ] - [ 0.0001145600000000, -0.0001741300000000, 0.0002356500000000 ] - [ 0.0004078300000000, 0.0003009500000000, 0.0001695400000000 ] - [ 0.0303249200000000, 0.1054096400000000, 0.0095176100000000 ] - [ -0.0014590500000000, 0.0033112100000000, -0.0059531100000000 ] - [ 0.0002349200000000, -0.0003636100000000, -0.0001684900000000 ] - [ -0.0001356100000000, 0.0001008600000000, 0.0003454700000000 ] - [ -0.0000505900000000, -0.0001215500000000, 0.0001677800000000 ] - [ 0.0000696700000000, 0.0002164700000000, 0.0002105900000000 ] - [ -0.0004812000000000, -0.0001775300000000, -0.0000742900000000 ] - [ 0.0000290700000000, -0.0001919400000000, -0.0000628500000000 ] - [ 0.0016953300000000, -0.0010284200000000, 0.0022548200000000 ] - [ -0.0000323100000000, -0.0000912400000000, -0.0001734900000000 ] - [ 0.0001483700000000, -0.0002237800000000, -0.0002498600000000 ] - [ 0.0000490200000000, -0.0001166400000000, 0.0001576300000000 ] - [ 0.0001034000000000, -0.0002636700000000, 0.0000111100000000 ] - [ -0.0001387300000000, -0.0001345800000000, -0.0002475800000000 ] - [ -0.0001327400000000, -0.0001462000000000, 0.0001253800000000 ] - [ 0.0002243300000000, 0.0007884800000000, 0.0005339500000000 ] - [ -0.0001004000000000, -0.0001018500000000, 0.0001129100000000 ] - [ -0.0001879200000000, -0.0003078600000000, -0.0001488800000000 ] - [ 0.0001925900000000, 0.0004187900000000, -0.0001477800000000 ] - [ -0.0021665300000000, -0.0003717600000000, 0.0006487600000000 ] - [ -0.0003576400000000, -0.0007392300000000, -0.0013992300000000 ] - [ 0.0001755100000000, -0.0000945100000000, 0.0000568200000000 ] - [ -0.0006738900000000, -0.0004334900000000, 0.0001624200000000 ] - [ -0.0000483800000000, -0.0001381800000000, 0.0000133900000000 ] - [ 0.0000235500000000, 0.0000855800000000, -0.0001677400000000 ] - [ 0.0001710300000000, -0.0002797200000000, 0.0001940900000000 ] - [ 0.0001839700000000, 0.0000683100000000, -0.0002022700000000 ] - [ 0.0000604400000000, 0.0000431500000000, 0.0000677900000000 ] - [ 0.0001185600000000, -0.0002592200000000, -0.0001885500000000 ] - [ 0.0000480100000000, -0.0001266100000000, 0.0001029300000000 ] - [ -0.0001654600000000, -0.0002361200000000, -0.0000965800000000 ] - [ -0.0004220200000000, -0.0001882800000000, 0.0000078900000000 ] - [ 0.0002909000000000, -0.0000727300000000, 0.0000661000000000 ] - [ -0.0001486700000000, -0.0003399600000000, -0.0001794700000000 ] - [ -0.0000971000000000, -0.0003237800000000, -0.0001346500000000 ] - [ 0.0005539800000000, 0.0003626200000000, -0.0000581000000000 ] - [ 0.0000893900000000, -0.0001508500000000, -0.0003012500000000 ] - [ 0.0002944600000000, 0.0002343000000000, -0.0001422600000000 ] - [ 0.0012738000000000, -0.0021370600000000, -0.0011818400000000 ] - [ -0.0002523700000000, 0.0003089100000000, 0.0000838300000000 ] - [ -0.0002223200000000, -0.0121773800000000, -0.0093474900000000 ] - [ 0.0005134700000000, 0.0005838300000000, -0.0010945400000000 ] - [ -0.0000643100000000, -0.0001330600000000, 0.0001457000000000 ] - [ 0.0002099400000000, 0.0000231000000000, 0.0000400300000000 ] - [ -0.0001292500000000, -0.0001194100000000, 0.0001223400000000 ] - [ -0.0003132300000000, -0.0004073500000000, 0.0001848900000000 ] - [ 0.0021856500000000, -0.0000856100000000, -0.0000058800000000 ] - [ -0.0002679300000000, -0.0002991100000000, -0.0001239300000000 ] - [ 0.0000855000000000, -0.0003675000000000, -0.0001381400000000 ] - [ -0.0000805600000000, -0.0000346000000000, -0.0000016600000000 ] - [ -0.0000477300000000, 0.0001195000000000, -0.0000974800000000 ] - [ 0.0003101600000000, 0.0004941700000000, 0.0003078600000000 ] - [ -0.0025624500000000, 0.0007904500000000, -0.0000860400000000 ] - [ -0.0000347200000000, -0.0003351600000000, 0.0013198000000000 ] - [ -0.0001371100000000, 0.0001491600000000, 0.0002652800000000 ] - [ 0.0005852300000000, 0.0023211900000000, 0.0063850000000000 ] - [ -0.0005089000000000, -0.0002712100000000, 0.0010559400000000 ] - [ 0.0000682900000000, -0.0002613700000000, 0.0000909600000000 ] - [ 0.0001057700000000, -0.0000276000000000, 0.0002645100000000 ] - [ 0.0000384400000000, 0.0000606200000000, -0.0001125400000000 ] - [ 0.0005870600000000, 0.0011351800000000, 0.0022989400000000 ] - [ -0.0001107100000000, -0.0003002900000000, 0.0000359300000000 ] - [ -0.0001041600000000, -0.0001291400000000, 0.0001103000000000 ] - [ 0.0000657600000000, -0.0002258100000000, -0.0001585500000000 ] - [ -0.0000660300000000, -0.0001796700000000, -0.0000147500000000 ] - [ 0.0001330400000000, -0.0000612700000000, -0.0000886200000000 ] - [ -0.0004827200000000, -0.0076653700000000, -0.0011456900000000 ] - [ 0.0020042600000000, 0.0049326800000000, -0.0017543300000000 ] - [ -0.0001991700000000, 0.0000425500000000, -0.0011342000000000 ]- atom: 16 displacement: [ -0.0027030911372206, 0.0000000000000000, 0.0096277358866911 ] forces: - [ -0.0012830000000000, 0.0005682100000000, 0.0011173700000000 ] - [ 0.0004454500000000, 0.0002160700000000, 0.0006881000000000 ] - [ -0.0000986300000000, -0.0001308400000000, -0.0002867400000000 ] - [ 0.0001564200000000, -0.0003258000000000, 0.0000758000000000 ] - [ 0.0004307800000000, -0.0001441000000000, 0.0004057700000000 ] - [ 0.0004622900000000, -0.0016685000000000, -0.0002266700000000 ] - [ 0.0005628100000000, 0.0004001500000000, 0.0008243700000000 ] - [ 0.0001424600000000, -0.0003750900000000, 0.0000961200000000 ] - [ -0.0353727000000000, -0.0043963800000000, 0.0170380200000000 ] - [ -0.0054826700000000, 0.0053494500000000, 0.0107746600000000 ] - [ 0.0004984500000000, -0.0000327900000000, 0.0007765600000000 ] - [ -0.0000772000000000, -0.0001263800000000, -0.0000773400000000 ] - [ -0.0011905900000000, 0.0006250000000000, -0.0011690400000000 ] - [ 0.0001117000000000, -0.0002259800000000, 0.0002245800000000 ] - [ -0.0002736600000000, 0.0002979300000000, 0.0003057400000000 ] - [ 0.0343507500000000, -0.0015269300000000, -0.1372684500000000 ] - [ 0.0025395500000000, 0.0063167600000000, 0.0032803600000000 ] - [ 0.0002114800000000, -0.0003702700000000, -0.0001363300000000 ] - [ -0.0001270200000000, -0.0000576900000000, 0.0002897200000000 ] - [ -0.0000358000000000, -0.0000611100000000, 0.0000361100000000 ] - [ 0.0000417500000000, 0.0001442200000000, 0.0001027100000000 ] - [ -0.0004025300000000, -0.0000556300000000, -0.0000970800000000 ] - [ 0.0000706000000000, -0.0001490500000000, 0.0000052800000000 ] - [ 0.0000807800000000, 0.0000553700000000, 0.0032578900000000 ] - [ -0.0000826700000000, -0.0000701700000000, -0.0001900400000000 ] - [ 0.0001708700000000, -0.0001419900000000, -0.0002840600000000 ] - [ 0.0000501300000000, -0.0001246200000000, 0.0001817500000000 ] - [ 0.0001301400000000, -0.0002427300000000, 0.0000213300000000 ] - [ -0.0001821000000000, -0.0001977100000000, -0.0002455700000000 ] - [ -0.0001866200000000, -0.0000843300000000, 0.0001175900000000 ] - [ -0.0013531200000000, -0.0000837200000000, 0.0023193600000000 ] - [ 0.0000024100000000, -0.0002110700000000, -0.0002426300000000 ] - [ -0.0001553600000000, -0.0002999000000000, -0.0001365600000000 ] - [ 0.0005996700000000, 0.0006194600000000, -0.0003447700000000 ] - [ 0.0007247200000000, -0.0014555400000000, -0.0011639400000000 ] - [ -0.0011636400000000, -0.0000602800000000, -0.0006110800000000 ] - [ 0.0000239600000000, 0.0000117100000000, 0.0002169000000000 ] - [ 0.0000653300000000, -0.0005845500000000, 0.0009421300000000 ] - [ -0.0000393300000000, -0.0001178600000000, -0.0000317500000000 ] - [ -0.0000505800000000, 0.0001311400000000, -0.0002855200000000 ] - [ 0.0003604300000000, -0.0001593500000000, 0.0000281100000000 ] - [ 0.0003932600000000, 0.0005631400000000, -0.0002407600000000 ] - [ -0.0000184700000000, 0.0000765100000000, 0.0001926000000000 ] - [ 0.0001033900000000, -0.0000641700000000, -0.0000419500000000 ] - [ 0.0000678100000000, -0.0000978200000000, 0.0001614800000000 ] - [ -0.0002082100000000, -0.0001996200000000, -0.0000777900000000 ] - [ -0.0004096300000000, -0.0002573200000000, -0.0000104400000000 ] - [ 0.0004337100000000, 0.0000111500000000, -0.0000019500000000 ] - [ -0.0001619400000000, -0.0003298900000000, -0.0001781600000000 ] - [ -0.0001762100000000, -0.0000708900000000, -0.0001629500000000 ] - [ 0.0008226700000000, 0.0012479200000000, -0.0003443400000000 ] - [ 0.0000706900000000, -0.0001647900000000, -0.0001681400000000 ] - [ -0.0001220000000000, -0.0006749800000000, -0.0009476300000000 ] - [ -0.0008544400000000, 0.0003700200000000, -0.0008964300000000 ] - [ -0.0001481400000000, -0.0002981100000000, -0.0002576800000000 ] - [ 0.0109491800000000, -0.0091786100000000, 0.0821218300000000 ] - [ 0.0008813900000000, 0.0007799800000000, 0.0003800100000000 ] - [ -0.0000782500000000, -0.0001459100000000, 0.0001315000000000 ] - [ 0.0001184500000000, -0.0000330800000000, -0.0000939700000000 ] - [ -0.0000919100000000, -0.0001313900000000, 0.0001105900000000 ] - [ -0.0002372100000000, -0.0004262900000000, 0.0001396900000000 ] - [ -0.0006636100000000, -0.0000377900000000, 0.0004469400000000 ] - [ -0.0007549100000000, 0.0011296100000000, -0.0006228800000000 ] - [ 0.0000902900000000, -0.0002559100000000, 0.0000418400000000 ] - [ -0.0000054300000000, -0.0000322200000000, -0.0001392700000000 ] - [ -0.0000981100000000, 0.0000433600000000, -0.0000542600000000 ] - [ 0.0004361900000000, 0.0003747300000000, -0.0000492300000000 ] - [ -0.0007195100000000, 0.0022614300000000, 0.0053800000000000 ] - [ 0.0002809800000000, 0.0001716800000000, 0.0015864500000000 ] - [ 0.0000750900000000, -0.0002049400000000, 0.0003418400000000 ] - [ 0.0047337600000000, 0.0006168800000000, 0.0056900300000000 ] - [ -0.0001853200000000, 0.0010288800000000, 0.0000831800000000 ] - [ 0.0000701600000000, -0.0002873800000000, 0.0000989000000000 ] - [ 0.0001060400000000, 0.0000323600000000, 0.0002185100000000 ] - [ -0.0000688300000000, -0.0000752900000000, -0.0002574200000000 ] - [ 0.0003107800000000, 0.0022069100000000, 0.0026786900000000 ] - [ -0.0000959700000000, -0.0002322100000000, -0.0001251200000000 ] - [ -0.0000758400000000, -0.0001640500000000, 0.0000987600000000 ] - [ -0.0000619800000000, -0.0002703800000000, -0.0001082200000000 ] - [ -0.0000280400000000, -0.0001930000000000, 0.0000339200000000 ] - [ 0.0000365100000000, -0.0002602100000000, -0.0001629200000000 ] - [ -0.0000106500000000, 0.0025748900000000, -0.0000470300000000 ] - [ -0.0039978600000000, 0.0018641400000000, -0.0001125600000000 ] - [ -0.0053836100000000, -0.0025224300000000, 0.0048355800000000 ]- atom: 16 displacement: [ 0.0027030911372206, 0.0000000000000000, -0.0096277358866911 ] forces: - [ 0.0017071800000000, -0.0001816200000000, -0.0007713300000000 ] - [ -0.0001437800000000, 0.0000430900000000, -0.0004624500000000 ] - [ -0.0001184400000000, -0.0002707300000000, -0.0002016600000000 ] - [ -0.0001031000000000, 0.0006677300000000, 0.0001867400000000 ] - [ -0.0004377900000000, 0.0001472100000000, -0.0003002500000000 ] - [ -0.0005764900000000, 0.0022596200000000, 0.0001626800000000 ] - [ -0.0007346700000000, -0.0001088200000000, -0.0005243900000000 ] - [ 0.0002047100000000, -0.0002899600000000, 0.0002457500000000 ] - [ 0.0341753800000000, 0.0044162500000000, -0.0167617800000000 ] - [ 0.0049891700000000, -0.0045397600000000, -0.0105495700000000 ] - [ -0.0004999000000000, 0.0001197200000000, -0.0009996500000000 ] - [ -0.0000443600000000, -0.0001907600000000, 0.0000135900000000 ] - [ 0.0011452700000000, -0.0004088600000000, 0.0008694300000000 ] - [ 0.0001044900000000, -0.0001752700000000, 0.0002643100000000 ] - [ 0.0005374000000000, 0.0003093200000000, -0.0001044700000000 ] - [ -0.0325670500000000, 0.0015299400000000, 0.1408237600000000 ] - [ -0.0024168400000000, -0.0057352500000000, -0.0032011400000000 ] - [ 0.0002631700000000, -0.0004377400000000, -0.0001953900000000 ] - [ 0.0001560000000000, 0.0000755300000000, -0.0003932400000000 ] - [ -0.0000014300000000, 0.0000371300000000, 0.0000617800000000 ] - [ 0.0000833000000000, 0.0001762800000000, -0.0000400200000000 ] - [ 0.0004724600000000, 0.0002776300000000, 0.0000286000000000 ] - [ 0.0000512000000000, -0.0001678100000000, 0.0000594400000000 ] - [ 0.0000440700000000, -0.0000667300000000, -0.0027557200000000 ] - [ 0.0000128800000000, -0.0001663000000000, -0.0001269900000000 ] - [ 0.0000595600000000, -0.0001745000000000, -0.0000593800000000 ] - [ 0.0000197200000000, -0.0001120500000000, 0.0001352900000000 ] - [ 0.0001271000000000, -0.0003668300000000, 0.0001882500000000 ] - [ -0.0002059700000000, -0.0001818000000000, -0.0001541300000000 ] - [ -0.0000547900000000, -0.0001800800000000, 0.0001061600000000 ] - [ 0.0010028900000000, 0.0003467600000000, -0.0025204000000000 ] - [ 0.0000591300000000, -0.0000056300000000, 0.0001726000000000 ] - [ -0.0001015800000000, -0.0003085500000000, -0.0000701700000000 ] - [ -0.0003800000000000, -0.0003050300000000, 0.0000075100000000 ] - [ -0.0008385600000000, 0.0017482300000000, 0.0011117800000000 ] - [ 0.0008240100000000, 0.0004293000000000, 0.0004155200000000 ] - [ 0.0003250700000000, -0.0003567400000000, -0.0000224300000000 ] - [ -0.0001290600000000, 0.0008002200000000, -0.0008677600000000 ] - [ -0.0000228300000000, -0.0001002400000000, 0.0001041600000000 ] - [ 0.0002680400000000, 0.0001074300000000, 0.0000813300000000 ] - [ 0.0000257400000000, -0.0002200300000000, 0.0003716700000000 ] - [ -0.0004785100000000, -0.0002591800000000, -0.0000110200000000 ] - [ 0.0001709800000000, 0.0000901800000000, -0.0000372100000000 ] - [ 0.0001098800000000, -0.0001769600000000, -0.0001641000000000 ] - [ 0.0000020700000000, -0.0002190800000000, 0.0000985500000000 ] - [ -0.0001388400000000, -0.0001451800000000, -0.0001189400000000 ] - [ 0.0004186400000000, 0.0003513000000000, 0.0002391900000000 ] - [ -0.0001305900000000, -0.0002742100000000, 0.0002415500000000 ] - [ -0.0001855800000000, -0.0003357200000000, -0.0001626600000000 ] - [ -0.0001223900000000, -0.0001875900000000, -0.0000770000000000 ] - [ -0.0006503900000000, -0.0009824600000000, 0.0000630200000000 ] - [ 0.0001116600000000, -0.0001159100000000, -0.0001173400000000 ] - [ -0.0000994100000000, 0.0010960100000000, 0.0004670100000000 ] - [ 0.0004980400000000, 0.0002888100000000, 0.0005519100000000 ] - [ 0.0001962100000000, 0.0002704200000000, 0.0001564100000000 ] - [ -0.0116207900000000, 0.0091181400000000, -0.0855780400000000 ] - [ -0.0009945100000000, -0.0007805300000000, -0.0008388300000000 ] - [ -0.0001042900000000, -0.0001344000000000, 0.0001534400000000 ] - [ 0.0002243500000000, 0.0003768400000000, 0.0002939700000000 ] - [ -0.0001368700000000, -0.0001854600000000, 0.0002321200000000 ] - [ -0.0002365000000000, -0.0003813700000000, 0.0001929900000000 ] - [ 0.0004085800000000, 0.0003553400000000, -0.0000915600000000 ] - [ 0.0005053300000000, -0.0005060500000000, 0.0004214600000000 ] - [ 0.0000120300000000, -0.0001395500000000, 0.0000365300000000 ] - [ 0.0000059700000000, -0.0000527100000000, -0.0000874700000000 ] - [ -0.0000553100000000, 0.0001224800000000, -0.0001010400000000 ] - [ -0.0000908100000000, 0.0002914900000000, 0.0003895200000000 ] - [ 0.0009550100000000, -0.0020409600000000, -0.0057321700000000 ] - [ -0.0001748500000000, 0.0002287900000000, -0.0015247700000000 ] - [ -0.0000810300000000, 0.0001210300000000, -0.0001126300000000 ] - [ -0.0043472900000000, 0.0001738900000000, -0.0061482400000000 ] - [ -0.0000541000000000, -0.0007953700000000, 0.0001243300000000 ] - [ 0.0000419500000000, -0.0002699200000000, -0.0000446300000000 ] - [ 0.0000176100000000, -0.0000250000000000, 0.0002564400000000 ] - [ -0.0000544700000000, 0.0000816600000000, -0.0002189900000000 ] - [ -0.0004136100000000, -0.0017808900000000, -0.0027389400000000 ] - [ -0.0000182100000000, -0.0003243700000000, 0.0000715200000000 ] - [ -0.0001384700000000, -0.0000772500000000, 0.0001079500000000 ] - [ -0.0000064400000000, -0.0000447800000000, -0.0001520600000000 ] - [ -0.0000758000000000, -0.0002009300000000, -0.0001139900000000 ] - [ 0.0002073100000000, -0.0000037700000000, -0.0000593500000000 ] - [ 0.0001137400000000, -0.0023678900000000, 0.0003639300000000 ] - [ 0.0041974100000000, -0.0014796400000000, 0.0006123300000000 ] - [ 0.0049310100000000, 0.0028804400000000, -0.0051712800000000 ]- atom: 22 displacement: [ 0.0099998398488412, 0.0000000000000000, -0.0000565950309369 ] forces: - [ -0.0014425400000000, -0.0011645100000000, 0.0009621900000000 ] - [ 0.0038572400000000, 0.0002041900000000, -0.0008421400000000 ] - [ -0.0000962300000000, -0.0001905700000000, -0.0002621000000000 ] - [ 0.0000931300000000, 0.0001985300000000, 0.0001470200000000 ] - [ -0.0000151500000000, -0.0000043700000000, 0.0000759100000000 ] - [ -0.0012481900000000, -0.0051776400000000, 0.0000463200000000 ] - [ -0.0000593700000000, 0.0001319900000000, 0.0001161600000000 ] - [ 0.0001721600000000, -0.0003461000000000, 0.0001699700000000 ] - [ -0.0002334700000000, 0.0000743400000000, 0.0001129400000000 ] - [ -0.0002028800000000, 0.0003545600000000, 0.0003601900000000 ] - [ -0.0000061400000000, 0.0000474800000000, -0.0000902200000000 ] - [ 0.0000536200000000, 0.0001044300000000, -0.0001715400000000 ] - [ -0.0002506900000000, 0.0016592100000000, -0.0019475700000000 ] - [ 0.0001254900000000, -0.0001416700000000, 0.0001582600000000 ] - [ 0.0022588900000000, 0.0008943300000000, -0.0000468500000000 ] - [ 0.0000145400000000, 0.0004288900000000, -0.0005085900000000 ] - [ 0.0000327600000000, 0.0003834300000000, 0.0000594900000000 ] - [ 0.0002467000000000, -0.0003809300000000, -0.0001751600000000 ] - [ 0.0107378000000000, -0.0001914100000000, -0.0015898100000000 ] - [ -0.0000544200000000, 0.0001975500000000, 0.0001382700000000 ] - [ 0.0005123200000000, 0.0007522500000000, 0.0003466500000000 ] - [ -0.1235686500000000, 0.0141887300000000, 0.0084584700000000 ] - [ 0.0000485700000000, -0.0001633300000000, 0.0000266500000000 ] - [ 0.0000939400000000, -0.0000943000000000, 0.0001808000000000 ] - [ -0.0000366600000000, -0.0001496200000000, -0.0001836400000000 ] - [ 0.0001130600000000, -0.0001666100000000, -0.0001652200000000 ] - [ -0.0000004000000000, -0.0004309900000000, 0.0000352300000000 ] - [ 0.0001272000000000, -0.0002983600000000, 0.0000921700000000 ] - [ 0.0000086000000000, -0.0004572500000000, -0.0001864100000000 ] - [ -0.0002303500000000, -0.0001560900000000, 0.0001399900000000 ] - [ -0.0001408900000000, 0.0001194200000000, -0.0001298400000000 ] - [ 0.0000327400000000, -0.0001090100000000, -0.0000419500000000 ] - [ -0.0001256300000000, -0.0004057500000000, -0.0000018300000000 ] - [ 0.0001720200000000, 0.0002402300000000, -0.0001509800000000 ] - [ -0.0000535800000000, 0.0001619100000000, -0.0000358700000000 ] - [ -0.0001057800000000, 0.0001215200000000, -0.0000007200000000 ] - [ 0.0001763000000000, -0.0001834600000000, 0.0001028400000000 ] - [ -0.0000297000000000, 0.0001072700000000, 0.0000645500000000 ] - [ 0.0001173200000000, 0.0000961800000000, -0.0002792500000000 ] - [ 0.0089221800000000, -0.0015833100000000, 0.0012899900000000 ] - [ 0.0001937000000000, -0.0001962600000000, 0.0001843200000000 ] - [ 0.0014114000000000, 0.0008210700000000, -0.0007393000000000 ] - [ 0.0000370800000000, 0.0001030500000000, 0.0000598600000000 ] - [ 0.0001144100000000, -0.0001124900000000, -0.0001034900000000 ] - [ 0.0010653300000000, 0.0000111200000000, -0.0005926600000000 ] - [ -0.0001532000000000, -0.0005104300000000, -0.0001690800000000 ] - [ 0.0012059300000000, -0.0098294000000000, 0.0013612000000000 ] - [ 0.0001503400000000, -0.0001275000000000, 0.0001150000000000 ] - [ -0.0003762900000000, -0.0004363400000000, -0.0003360100000000 ] - [ -0.0005429400000000, -0.0002449100000000, -0.0001238100000000 ] - [ 0.0093058700000000, 0.0068769400000000, 0.0045857600000000 ] - [ 0.0000869400000000, -0.0001343200000000, -0.0001428700000000 ] - [ -0.0003835900000000, -0.0001642900000000, -0.0005753200000000 ] - [ -0.0002108100000000, 0.0003495900000000, -0.0001851400000000 ] - [ 0.0000100400000000, 0.0000005200000000, -0.0000286500000000 ] - [ -0.0003216400000000, -0.0007414600000000, 0.0000512200000000 ] - [ -0.0001242700000000, 0.0031005000000000, 0.0000450200000000 ] - [ -0.0000970300000000, -0.0000919900000000, 0.0000085700000000 ] - [ 0.0017041400000000, -0.0032380800000000, -0.0038414100000000 ] - [ -0.0001087000000000, -0.0001480400000000, -0.0001453700000000 ] - [ -0.0006811300000000, -0.0003562500000000, 0.0006206900000000 ] - [ -0.0001003600000000, 0.0001536800000000, 0.0001423600000000 ] - [ -0.0001143600000000, 0.0003172900000000, -0.0001626100000000 ] - [ 0.0000460200000000, -0.0002088600000000, 0.0000360000000000 ] - [ -0.0001780200000000, -0.0001948200000000, 0.0005014800000000 ] - [ 0.0000366500000000, -0.0000441600000000, -0.0000769100000000 ] - [ 0.0043488900000000, 0.0014373200000000, 0.0031175900000000 ] - [ 0.0001480300000000, 0.0005586600000000, 0.0000433000000000 ] - [ 0.0829899200000000, -0.0061645200000000, -0.0117265200000000 ] - [ 0.0000106500000000, -0.0000481900000000, 0.0001096200000000 ] - [ 0.0000665400000000, 0.0004343600000000, 0.0003224000000000 ] - [ -0.0001355500000000, 0.0001320000000000, 0.0001623200000000 ] - [ 0.0002971300000000, -0.0004780700000000, 0.0004868000000000 ] - [ 0.0000578800000000, 0.0000210200000000, 0.0002389900000000 ] - [ -0.0000605000000000, 0.0000122600000000, -0.0002355900000000 ] - [ -0.0000410400000000, 0.0001979000000000, 0.0000241100000000 ] - [ -0.0000493400000000, -0.0002760100000000, -0.0000205400000000 ] - [ -0.0002997400000000, -0.0003089200000000, 0.0003310700000000 ] - [ -0.0000268400000000, -0.0001534800000000, -0.0001444800000000 ] - [ 0.0005556100000000, 0.0006458000000000, 0.0003715700000000 ] - [ 0.0001068000000000, -0.0001241700000000, -0.0000883300000000 ] - [ 0.0000914900000000, 0.0000730600000000, 0.0002163700000000 ] - [ 0.0001243000000000, 0.0002091400000000, 0.0002444000000000 ] - [ -0.0001756100000000, 0.0002064900000000, -0.0002162500000000 ]- atom: 22 displacement: [ -0.0099998398488412, 0.0000000000000000, 0.0000565950309369 ] forces: - [ 0.0018331100000000, 0.0015571400000000, -0.0005681400000000 ] - [ -0.0035953300000000, 0.0000993500000000, 0.0010727600000000 ] - [ -0.0001187000000000, -0.0002103200000000, -0.0002239500000000 ] - [ -0.0000224600000000, 0.0001161400000000, 0.0001153700000000 ] - [ -0.0000187000000000, 0.0000265700000000, 0.0000190400000000 ] - [ 0.0011750700000000, 0.0056677800000000, -0.0001602400000000 ] - [ -0.0001243800000000, 0.0001479000000000, 0.0001708400000000 ] - [ 0.0001752000000000, -0.0003198300000000, 0.0001699200000000 ] - [ -0.0000085800000000, 0.0001882400000000, 0.0001113800000000 ] - [ -0.0002660600000000, 0.0004561400000000, -0.0000290900000000 ] - [ 0.0000005300000000, 0.0000413800000000, -0.0001354400000000 ] - [ -0.0001778200000000, -0.0004203900000000, 0.0001120700000000 ] - [ 0.0001947400000000, -0.0013667400000000, 0.0016355400000000 ] - [ 0.0000906600000000, -0.0002561000000000, 0.0003252400000000 ] - [ -0.0020228600000000, -0.0002926200000000, 0.0002514900000000 ] - [ -0.0001720100000000, -0.0005905100000000, 0.0003469700000000 ] - [ 0.0000788000000000, 0.0001714500000000, -0.0000034300000000 ] - [ 0.0002253700000000, -0.0004259000000000, -0.0001551300000000 ] - [ -0.0106551000000000, -0.0000665800000000, 0.0014990500000000 ] - [ 0.0000143200000000, -0.0002560100000000, -0.0000355100000000 ] - [ -0.0003943100000000, -0.0004391800000000, -0.0002830600000000 ] - [ 0.1196642400000000, -0.0128568100000000, -0.0074138100000000 ] - [ 0.0000751500000000, -0.0001553700000000, 0.0000345900000000 ] - [ 0.0000299700000000, 0.0000865500000000, 0.0002931700000000 ] - [ -0.0000330500000000, -0.0000884600000000, -0.0001304200000000 ] - [ 0.0001156200000000, -0.0001501100000000, -0.0001805500000000 ] - [ 0.0000793000000000, 0.0001934500000000, 0.0002861300000000 ] - [ 0.0001299700000000, -0.0003093900000000, 0.0001136900000000 ] - [ -0.0003951400000000, 0.0000811900000000, -0.0002183200000000 ] - [ -0.0000069300000000, -0.0001113000000000, 0.0000849100000000 ] - [ -0.0001574000000000, 0.0001414300000000, -0.0001126100000000 ] - [ 0.0000315500000000, -0.0001108600000000, -0.0000280700000000 ] - [ -0.0001343900000000, -0.0002036500000000, -0.0002033100000000 ] - [ 0.0000477800000000, 0.0000773400000000, -0.0001958000000000 ] - [ -0.0000701100000000, 0.0001567200000000, -0.0000250300000000 ] - [ -0.0002382000000000, 0.0002229100000000, -0.0001996900000000 ] - [ 0.0001689200000000, -0.0001604800000000, 0.0000970800000000 ] - [ -0.0000359400000000, 0.0001135800000000, 0.0000062400000000 ] - [ -0.0001663600000000, -0.0003034200000000, 0.0003544500000000 ] - [ -0.0087810200000000, 0.0017404300000000, -0.0016862600000000 ] - [ 0.0001940700000000, -0.0001837900000000, 0.0002166900000000 ] - [ -0.0014606900000000, -0.0005324800000000, 0.0004967000000000 ] - [ 0.0001182900000000, 0.0000608200000000, 0.0000989400000000 ] - [ 0.0000969200000000, -0.0001270000000000, -0.0000999300000000 ] - [ -0.0010075400000000, -0.0003183500000000, 0.0008569200000000 ] - [ -0.0001903800000000, 0.0001653700000000, -0.0000308600000000 ] - [ -0.0011543600000000, 0.0099283000000000, -0.0011161500000000 ] - [ 0.0001483400000000, -0.0001330900000000, 0.0001267100000000 ] - [ 0.0000242500000000, -0.0002285400000000, -0.0000065600000000 ] - [ 0.0002477400000000, -0.0000091000000000, -0.0001202800000000 ] - [ -0.0088922400000000, -0.0065869800000000, -0.0048000400000000 ] - [ 0.0000961500000000, -0.0001466500000000, -0.0001440800000000 ] - [ 0.0001661000000000, 0.0005673600000000, 0.0000899200000000 ] - [ -0.0001369500000000, 0.0003158700000000, -0.0001546300000000 ] - [ 0.0000239100000000, -0.0000232600000000, -0.0000647500000000 ] - [ 0.0004749200000000, 0.0005544700000000, 0.0000840800000000 ] - [ -0.0000465800000000, -0.0030878700000000, -0.0005418100000000 ] - [ -0.0000886100000000, -0.0001961200000000, 0.0002759300000000 ] - [ -0.0013185700000000, 0.0036148100000000, 0.0040765700000000 ] - [ -0.0001209200000000, -0.0001680900000000, 0.0004899100000000 ] - [ 0.0002106600000000, -0.0004452600000000, -0.0002977700000000 ] - [ -0.0001271400000000, 0.0001622600000000, 0.0002030300000000 ] - [ -0.0001438700000000, 0.0002900000000000, -0.0000417200000000 ] - [ 0.0000573900000000, -0.0001849500000000, 0.0000432200000000 ] - [ 0.0001768000000000, 0.0001069200000000, -0.0007220100000000 ] - [ -0.0001909200000000, 0.0002129200000000, -0.0000845200000000 ] - [ -0.0040119500000000, -0.0008287500000000, -0.0027898100000000 ] - [ 0.0000976700000000, -0.0003032900000000, -0.0002666900000000 ] - [ -0.0791621400000000, 0.0058172600000000, 0.0108570100000000 ] - [ -0.0000067600000000, -0.0000402000000000, 0.0001158300000000 ] - [ 0.0003888900000000, 0.0003937500000000, -0.0006567800000000 ] - [ -0.0000762500000000, 0.0001061600000000, 0.0000396900000000 ] - [ -0.0001793700000000, -0.0000848300000000, -0.0004271100000000 ] - [ 0.0000691900000000, -0.0000126800000000, 0.0002427900000000 ] - [ -0.0000640300000000, -0.0000047200000000, -0.0002393400000000 ] - [ -0.0000621700000000, 0.0001949100000000, -0.0001045700000000 ] - [ -0.0000649900000000, -0.0002800500000000, -0.0000345700000000 ] - [ 0.0000851200000000, 0.0000670600000000, -0.0001232600000000 ] - [ -0.0000444200000000, -0.0001613200000000, -0.0001165500000000 ] - [ -0.0006523100000000, -0.0010539600000000, -0.0004580800000000 ] - [ 0.0001329000000000, -0.0001397900000000, -0.0001349800000000 ] - [ -0.0000210300000000, 0.0001653100000000, 0.0000936300000000 ] - [ 0.0000906300000000, 0.0001920100000000, 0.0002412200000000 ] - [ -0.0002111900000000, 0.0001738800000000, -0.0001840100000000 ]- atom: 22 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0015383700000000, -0.0007758200000000, 0.0005075200000000 ] - [ 0.0007624800000000, 0.0018796000000000, -0.0000050500000000 ] - [ -0.0000885100000000, -0.0002016200000000, -0.0002370300000000 ] - [ -0.0000058900000000, 0.0001586100000000, 0.0001957700000000 ] - [ 0.0000620900000000, -0.0000174500000000, -0.0000442100000000 ] - [ -0.0085413100000000, 0.0009511600000000, 0.0028390600000000 ] - [ -0.0000738400000000, 0.0002718100000000, 0.0001620400000000 ] - [ 0.0001845300000000, -0.0003311800000000, 0.0001748600000000 ] - [ -0.0000486000000000, 0.0001983900000000, -0.0000741100000000 ] - [ -0.0001682200000000, 0.0001176100000000, 0.0002297600000000 ] - [ 0.0000811000000000, 0.0000300400000000, -0.0000863100000000 ] - [ -0.0000757100000000, -0.0003278700000000, -0.0000317400000000 ] - [ 0.0005649800000000, 0.0007680000000000, 0.0002509900000000 ] - [ 0.0000434900000000, -0.0002283400000000, 0.0003891600000000 ] - [ 0.0004673700000000, -0.0000845300000000, -0.0016855000000000 ] - [ 0.0002743600000000, 0.0002090700000000, -0.0001568800000000 ] - [ -0.0000446600000000, 0.0004098400000000, -0.0001051600000000 ] - [ 0.0002616800000000, -0.0003884800000000, -0.0001533300000000 ] - [ 0.0043772400000000, 0.0717966100000000, -0.0162215300000000 ] - [ 0.0007992600000000, 0.0067355700000000, -0.0014884800000000 ] - [ 0.0000746400000000, 0.0005754900000000, 0.0003618000000000 ] - [ 0.0136740700000000, -0.1190975100000000, 0.0046571300000000 ] - [ 0.0000550700000000, -0.0001622000000000, 0.0000320500000000 ] - [ 0.0000505500000000, -0.0000617900000000, 0.0002446200000000 ] - [ -0.0000603300000000, -0.0001453300000000, -0.0001405000000000 ] - [ 0.0001027000000000, -0.0001645600000000, -0.0001724100000000 ] - [ -0.0000543100000000, -0.0000861300000000, 0.0000070200000000 ] - [ 0.0001428400000000, -0.0003088700000000, 0.0000858700000000 ] - [ -0.0005116900000000, -0.0005416600000000, 0.0001954900000000 ] - [ -0.0003368200000000, 0.0000212900000000, -0.0000597000000000 ] - [ -0.0001652900000000, 0.0001262200000000, -0.0001294700000000 ] - [ 0.0000325500000000, -0.0000993200000000, -0.0000522300000000 ] - [ 0.0000206300000000, -0.0001127600000000, -0.0001599800000000 ] - [ 0.0005220700000000, 0.0011340000000000, 0.0001696300000000 ] - [ -0.0000771300000000, 0.0001612100000000, 0.0000583500000000 ] - [ -0.0003081600000000, 0.0001775300000000, 0.0000871100000000 ] - [ 0.0001581900000000, -0.0001645200000000, 0.0000929500000000 ] - [ -0.0000307600000000, 0.0000694600000000, 0.0000861100000000 ] - [ 0.0001678900000000, -0.0014156500000000, 0.0008543200000000 ] - [ -0.0024283600000000, 0.0097739000000000, 0.0033512100000000 ] - [ 0.0001984000000000, -0.0002058500000000, 0.0001695700000000 ] - [ 0.0001669900000000, 0.0035463800000000, -0.0012572300000000 ] - [ 0.0000005100000000, 0.0001120600000000, 0.0000532300000000 ] - [ 0.0001020200000000, -0.0001163700000000, -0.0000967200000000 ] - [ 0.0003932800000000, -0.0002989600000000, 0.0002563100000000 ] - [ -0.0005025900000000, -0.0000647600000000, -0.0003035300000000 ] - [ -0.0061492000000000, 0.0018007000000000, -0.0010087400000000 ] - [ 0.0001317700000000, -0.0001331200000000, 0.0001370500000000 ] - [ 0.0001914300000000, -0.0004583300000000, 0.0003846600000000 ] - [ 0.0002375000000000, 0.0001365300000000, -0.0002520800000000 ] - [ 0.0003142900000000, -0.0008937600000000, -0.0000507300000000 ] - [ 0.0000872400000000, -0.0001285100000000, -0.0001623900000000 ] - [ -0.0004690700000000, -0.0002308200000000, -0.0005326700000000 ] - [ -0.0002271600000000, 0.0003951800000000, -0.0002676900000000 ] - [ 0.0000267400000000, -0.0000099700000000, -0.0000552500000000 ] - [ -0.0001130500000000, 0.0004643700000000, 0.0007504600000000 ] - [ 0.0039903400000000, 0.0052522800000000, 0.0032875000000000 ] - [ -0.0001899800000000, -0.0001187100000000, 0.0000033800000000 ] - [ 0.0004447600000000, 0.0013837800000000, 0.0033764400000000 ] - [ -0.0000668100000000, -0.0003593800000000, -0.0003057500000000 ] - [ -0.0002179000000000, -0.0005023700000000, 0.0000741300000000 ] - [ -0.0001691400000000, 0.0001872800000000, 0.0001935200000000 ] - [ -0.0001251500000000, 0.0003393000000000, -0.0001489600000000 ] - [ 0.0000403300000000, -0.0001979300000000, 0.0000293500000000 ] - [ -0.0005842600000000, 0.0001760300000000, -0.0002366400000000 ] - [ -0.0000946500000000, 0.0000729700000000, 0.0000188900000000 ] - [ 0.0051561500000000, 0.0060333900000000, 0.0037391300000000 ] - [ 0.0001758800000000, 0.0004438000000000, 0.0002140500000000 ] - [ -0.0119489000000000, 0.0126919900000000, -0.0010365900000000 ] - [ 0.0000011500000000, -0.0000468600000000, 0.0001108900000000 ] - [ 0.0007194000000000, -0.0002708200000000, -0.0002044400000000 ] - [ -0.0001708600000000, 0.0001307700000000, 0.0001798000000000 ] - [ 0.0001327400000000, -0.0000267100000000, -0.0000177200000000 ] - [ -0.0002103100000000, -0.0003209100000000, -0.0007500700000000 ] - [ -0.0000361900000000, -0.0000007700000000, -0.0002284900000000 ] - [ -0.0000661000000000, 0.0002520700000000, 0.0000250100000000 ] - [ -0.0000516200000000, -0.0002884800000000, -0.0000426200000000 ] - [ -0.0001166900000000, 0.0000680200000000, -0.0004721400000000 ] - [ -0.0000308600000000, -0.0001567100000000, -0.0001349000000000 ] - [ 0.0006404900000000, 0.0002697700000000, 0.0003567600000000 ] - [ 0.0001218800000000, -0.0001404800000000, -0.0000712300000000 ] - [ 0.0000086400000000, 0.0000734500000000, 0.0001944800000000 ] - [ 0.0001716000000000, 0.0000996200000000, 0.0002918800000000 ] - [ -0.0002348500000000, 0.0001910900000000, -0.0002391000000000 ]- atom: 22 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0019434200000000, 0.0011529500000000, -0.0001244900000000 ] - [ -0.0004640200000000, -0.0015545800000000, 0.0002628700000000 ] - [ -0.0001188900000000, -0.0001978600000000, -0.0002534200000000 ] - [ 0.0000808200000000, 0.0001516800000000, 0.0000807600000000 ] - [ -0.0000939000000000, 0.0000420700000000, 0.0001537400000000 ] - [ 0.0084713500000000, -0.0004047200000000, -0.0028858600000000 ] - [ -0.0001148800000000, 0.0000146200000000, 0.0001244700000000 ] - [ 0.0001729400000000, -0.0003400700000000, 0.0001677300000000 ] - [ -0.0001801700000000, 0.0000649800000000, 0.0002922300000000 ] - [ -0.0003071200000000, 0.0006720000000000, 0.0000988800000000 ] - [ -0.0000838200000000, 0.0000616000000000, -0.0001259500000000 ] - [ -0.0000559400000000, 0.0000019600000000, -0.0000288400000000 ] - [ -0.0006357500000000, -0.0005217500000000, -0.0005673800000000 ] - [ 0.0001620100000000, -0.0001730300000000, 0.0001020300000000 ] - [ -0.0001850600000000, 0.0006910800000000, 0.0018707700000000 ] - [ -0.0004164800000000, -0.0003762800000000, -0.0000020100000000 ] - [ 0.0001573300000000, 0.0001522200000000, 0.0001689800000000 ] - [ 0.0002133500000000, -0.0004079000000000, -0.0001728200000000 ] - [ -0.0043156300000000, -0.0684040600000000, 0.0147630300000000 ] - [ -0.0008358900000000, -0.0067899000000000, 0.0016047400000000 ] - [ 0.0000501300000000, -0.0002590300000000, -0.0002998900000000 ] - [ -0.0134016400000000, 0.1156872200000000, -0.0032360900000000 ] - [ 0.0000732600000000, -0.0001616000000000, 0.0000325100000000 ] - [ 0.0000623800000000, 0.0000651700000000, 0.0002338000000000 ] - [ -0.0000096800000000, -0.0000985200000000, -0.0001763900000000 ] - [ 0.0001307400000000, -0.0001557800000000, -0.0001728800000000 ] - [ 0.0001244500000000, -0.0001574200000000, 0.0003087000000000 ] - [ 0.0001183000000000, -0.0003089000000000, 0.0001224400000000 ] - [ 0.0001134100000000, 0.0001578200000000, -0.0005808200000000 ] - [ 0.0001003800000000, -0.0002810200000000, 0.0002783700000000 ] - [ -0.0001330700000000, 0.0001290500000000, -0.0001010200000000 ] - [ 0.0000320400000000, -0.0001184700000000, -0.0000292900000000 ] - [ -0.0002786800000000, -0.0005014900000000, -0.0000531100000000 ] - [ -0.0002928600000000, -0.0007980400000000, -0.0005190600000000 ] - [ -0.0000513800000000, 0.0001622500000000, -0.0001223700000000 ] - [ -0.0000316100000000, 0.0001609700000000, -0.0002926200000000 ] - [ 0.0001831700000000, -0.0001747000000000, 0.0001122100000000 ] - [ -0.0000347000000000, 0.0001480500000000, -0.0000039700000000 ] - [ -0.0002383600000000, 0.0012149900000000, -0.0007837500000000 ] - [ 0.0025646600000000, -0.0096183400000000, -0.0036839000000000 ] - [ 0.0001944500000000, -0.0001729100000000, 0.0002223600000000 ] - [ -0.0002297900000000, -0.0032596200000000, 0.0009817100000000 ] - [ 0.0001485200000000, 0.0000609600000000, 0.0001101500000000 ] - [ 0.0001038200000000, -0.0001170700000000, -0.0001003000000000 ] - [ -0.0003147300000000, -0.0000198700000000, 0.0000284600000000 ] - [ 0.0001679900000000, -0.0002740300000000, 0.0000967700000000 ] - [ 0.0060547500000000, -0.0017400800000000, 0.0011766900000000 ] - [ 0.0001671400000000, -0.0001231100000000, 0.0000921800000000 ] - [ -0.0005506800000000, -0.0002069200000000, -0.0007276400000000 ] - [ -0.0005128500000000, -0.0003926500000000, 0.0000160600000000 ] - [ -0.0001450100000000, 0.0011318100000000, -0.0002715500000000 ] - [ 0.0001009000000000, -0.0001588600000000, -0.0001238400000000 ] - [ 0.0002638900000000, 0.0006297100000000, 0.0000444400000000 ] - [ -0.0001301000000000, 0.0002751300000000, -0.0000746000000000 ] - [ 0.0000053900000000, -0.0000167700000000, -0.0000544700000000 ] - [ 0.0002572300000000, -0.0006242100000000, -0.0005865500000000 ] - [ -0.0040254400000000, -0.0050613900000000, -0.0036905900000000 ] - [ -0.0000039900000000, -0.0001697600000000, 0.0002781000000000 ] - [ -0.0000917300000000, -0.0010379400000000, -0.0031382900000000 ] - [ -0.0001652200000000, 0.0000316200000000, 0.0006394300000000 ] - [ -0.0002549400000000, -0.0002952800000000, 0.0002526200000000 ] - [ -0.0000640300000000, 0.0001324500000000, 0.0001509100000000 ] - [ -0.0001367000000000, 0.0002776200000000, -0.0000590000000000 ] - [ 0.0000593700000000, -0.0001938400000000, 0.0000377200000000 ] - [ 0.0005836800000000, -0.0002636000000000, 0.0000183600000000 ] - [ -0.0000551500000000, 0.0000966000000000, -0.0001808100000000 ] - [ -0.0048380000000000, -0.0053358400000000, -0.0033981500000000 ] - [ 0.0000523100000000, -0.0001849000000000, -0.0004394100000000 ] - [ 0.0118625000000000, -0.0121076900000000, 0.0010534200000000 ] - [ 0.0000007700000000, -0.0000452500000000, 0.0001018900000000 ] - [ -0.0002435800000000, 0.0010602800000000, -0.0001152800000000 ] - [ -0.0000348000000000, 0.0001016200000000, 0.0000168800000000 ] - [ -0.0000127300000000, -0.0005203500000000, 0.0000893500000000 ] - [ 0.0003218700000000, 0.0003193600000000, 0.0012284900000000 ] - [ -0.0000791600000000, -0.0000014800000000, -0.0002507700000000 ] - [ -0.0000332300000000, 0.0001395600000000, -0.0000908500000000 ] - [ -0.0000616200000000, -0.0002716500000000, -0.0000211000000000 ] - [ -0.0000903900000000, -0.0003120400000000, 0.0006828700000000 ] - [ -0.0000438400000000, -0.0001538600000000, -0.0001424200000000 ] - [ -0.0007496600000000, -0.0006558800000000, -0.0004313700000000 ] - [ 0.0001084000000000, -0.0001230400000000, -0.0001499200000000 ] - [ 0.0000615000000000, 0.0001702400000000, 0.0001203000000000 ] - [ 0.0000362300000000, 0.0002979600000000, 0.0001977300000000 ] - [ -0.0001579500000000, 0.0001877500000000, -0.0001523300000000 ]- atom: 22 displacement: [ -0.0027030911372206, 0.0000000000000000, 0.0096277358866911 ] forces: - [ 0.0013169900000000, 0.0010423700000000, -0.0003131900000000 ] - [ -0.0017759900000000, -0.0001816500000000, 0.0015579200000000 ] - [ -0.0001432600000000, -0.0001950200000000, -0.0002625600000000 ] - [ 0.0000082300000000, 0.0001715700000000, 0.0002068800000000 ] - [ 0.0000350500000000, -0.0000189700000000, -0.0000636700000000 ] - [ 0.0036572000000000, 0.0015491500000000, 0.0002543500000000 ] - [ -0.0000700200000000, 0.0001892100000000, 0.0001009100000000 ] - [ 0.0001571000000000, -0.0003193100000000, 0.0001781500000000 ] - [ -0.0000588900000000, 0.0000901000000000, 0.0001329100000000 ] - [ -0.0002015000000000, 0.0002917500000000, 0.0001936300000000 ] - [ 0.0000851800000000, 0.0000237700000000, -0.0000932900000000 ] - [ -0.0000232400000000, -0.0001048700000000, -0.0001942100000000 ] - [ 0.0001254700000000, -0.0000437200000000, 0.0017960800000000 ] - [ 0.0001195200000000, 0.0000316300000000, 0.0001987300000000 ] - [ 0.0012140500000000, 0.0007722300000000, 0.0014349400000000 ] - [ -0.0000366900000000, -0.0001779700000000, 0.0000005000000000 ] - [ -0.0000154200000000, 0.0002403100000000, 0.0000041800000000 ] - [ 0.0002298300000000, -0.0004158500000000, -0.0001820800000000 ] - [ -0.0025855700000000, -0.0261772500000000, 0.0160049300000000 ] - [ -0.0003744100000000, -0.0016421100000000, -0.0005131300000000 ] - [ -0.0003833400000000, 0.0002952600000000, 0.0003209500000000 ] - [ 0.0394740500000000, -0.0002553500000000, -0.1106473300000000 ] - [ 0.0000587200000000, -0.0001419300000000, 0.0000309700000000 ] - [ 0.0000349900000000, -0.0000224000000000, 0.0002436500000000 ] - [ -0.0000371800000000, -0.0000781800000000, -0.0002500600000000 ] - [ 0.0001422700000000, -0.0001566600000000, -0.0001757000000000 ] - [ 0.0001817800000000, -0.0002344800000000, 0.0002648500000000 ] - [ 0.0001246100000000, -0.0002925500000000, 0.0001225900000000 ] - [ -0.0004422400000000, 0.0004180600000000, -0.0007283000000000 ] - [ 0.0002312500000000, -0.0003778300000000, 0.0002911700000000 ] - [ -0.0001286200000000, 0.0001434200000000, -0.0001437700000000 ] - [ 0.0000243500000000, -0.0001039700000000, -0.0000059200000000 ] - [ 0.0000289300000000, -0.0002450400000000, -0.0002149800000000 ] - [ 0.0004075900000000, -0.0006468800000000, 0.0004655500000000 ] - [ -0.0000006500000000, 0.0001362200000000, 0.0000215400000000 ] - [ -0.0003603900000000, 0.0002522000000000, -0.0002131500000000 ] - [ 0.0001953100000000, -0.0001799200000000, 0.0000895800000000 ] - [ -0.0000033500000000, 0.0000730800000000, 0.0000772100000000 ] - [ -0.0003692100000000, 0.0006240500000000, 0.0006865700000000 ] - [ 0.0048240700000000, 0.0122712700000000, 0.0678447100000000 ] - [ 0.0002099400000000, -0.0001911500000000, 0.0002286200000000 ] - [ -0.0005936600000000, -0.0010494800000000, 0.0001254000000000 ] - [ 0.0001646200000000, 0.0000951200000000, 0.0000289400000000 ] - [ 0.0001202300000000, -0.0001440200000000, -0.0001225000000000 ] - [ -0.0011011100000000, -0.0000920200000000, -0.0000124900000000 ] - [ -0.0000749900000000, -0.0000317100000000, -0.0001105600000000 ] - [ -0.0011342000000000, 0.0034801100000000, -0.0009990700000000 ] - [ 0.0001557300000000, -0.0001224400000000, 0.0001053300000000 ] - [ -0.0002013600000000, -0.0001590400000000, -0.0001400100000000 ] - [ 0.0012935900000000, 0.0004164800000000, -0.0001413300000000 ] - [ -0.0012643500000000, -0.0020247300000000, -0.0000159900000000 ] - [ 0.0000833100000000, -0.0001610100000000, -0.0001364600000000 ] - [ -0.0000970600000000, 0.0005065600000000, -0.0004064800000000 ] - [ -0.0001403900000000, 0.0004144500000000, -0.0002238200000000 ] - [ 0.0000314700000000, -0.0000095100000000, -0.0000490700000000 ] - [ -0.0002590000000000, 0.0002214000000000, 0.0008478100000000 ] - [ -0.0031995200000000, -0.0023800600000000, -0.0011954700000000 ] - [ -0.0003744300000000, -0.0003917800000000, -0.0002599100000000 ] - [ -0.0064415800000000, 0.0041425500000000, -0.0009073900000000 ] - [ -0.0002758000000000, -0.0003343800000000, 0.0002509000000000 ] - [ -0.0007166700000000, -0.0003311900000000, 0.0006005700000000 ] - [ -0.0001480700000000, 0.0001735800000000, 0.0001618500000000 ] - [ -0.0001618700000000, 0.0002898000000000, -0.0000134900000000 ] - [ 0.0000552500000000, -0.0001986200000000, 0.0000340000000000 ] - [ 0.0002529900000000, -0.0002635500000000, -0.0007398800000000 ] - [ -0.0001535200000000, 0.0002579500000000, -0.0002898600000000 ] - [ 0.0110067900000000, 0.0075557300000000, 0.0057323500000000 ] - [ 0.0003913800000000, 0.0001312100000000, -0.0004112100000000 ] - [ -0.0457762900000000, 0.0044746900000000, 0.0167987600000000 ] - [ -0.0000090500000000, -0.0000291700000000, 0.0001465100000000 ] - [ 0.0017350600000000, -0.0000099100000000, -0.0003696800000000 ] - [ -0.0002033100000000, 0.0001383100000000, 0.0001864800000000 ] - [ 0.0009049200000000, -0.0005327000000000, 0.0012851800000000 ] - [ 0.0003104800000000, 0.0001314900000000, 0.0002102100000000 ] - [ -0.0000689700000000, 0.0000063200000000, -0.0002338700000000 ] - [ -0.0000689300000000, 0.0001853900000000, -0.0000836000000000 ] - [ -0.0000517300000000, -0.0002829400000000, -0.0000015700000000 ] - [ -0.0002565100000000, -0.0007282400000000, 0.0008517700000000 ] - [ -0.0000325200000000, -0.0001608900000000, -0.0001254800000000 ] - [ 0.0003150000000000, -0.0000115500000000, 0.0008858000000000 ] - [ 0.0001166000000000, -0.0001353100000000, -0.0001656000000000 ] - [ 0.0000020700000000, 0.0000802500000000, 0.0000740400000000 ] - [ 0.0002028900000000, 0.0001933700000000, 0.0003184400000000 ] - [ -0.0002140300000000, 0.0002768900000000, -0.0002402600000000 ]- atom: 22 displacement: [ 0.0027030911372206, 0.0000000000000000, -0.0096277358866911 ] forces: - [ -0.0009283700000000, -0.0006677100000000, 0.0007282200000000 ] - [ 0.0020927800000000, 0.0004272200000000, -0.0013318000000000 ] - [ -0.0000820800000000, -0.0001977300000000, -0.0002302800000000 ] - [ 0.0000653800000000, 0.0001456300000000, 0.0000485500000000 ] - [ -0.0000719600000000, 0.0000453800000000, 0.0001656300000000 ] - [ -0.0037683700000000, -0.0009831400000000, -0.0003381000000000 ] - [ -0.0001086200000000, 0.0000936300000000, 0.0001879900000000 ] - [ 0.0001833600000000, -0.0003443900000000, 0.0001578400000000 ] - [ -0.0001802100000000, 0.0001863300000000, 0.0001010700000000 ] - [ -0.0002863700000000, 0.0005145200000000, 0.0001493600000000 ] - [ -0.0000947800000000, 0.0000590500000000, -0.0001450100000000 ] - [ -0.0000893900000000, -0.0001961300000000, 0.0001299000000000 ] - [ -0.0002048100000000, 0.0002647300000000, -0.0021304100000000 ] - [ 0.0001064800000000, -0.0004260800000000, 0.0002940200000000 ] - [ -0.0009607800000000, -0.0001650600000000, -0.0012294700000000 ] - [ -0.0001075000000000, 0.0000027400000000, -0.0001497800000000 ] - [ 0.0001248700000000, 0.0003240300000000, 0.0000389600000000 ] - [ 0.0002569600000000, -0.0003882000000000, -0.0001596600000000 ] - [ 0.0026818800000000, 0.0265238700000000, -0.0160247900000000 ] - [ 0.0003215900000000, 0.0015812500000000, 0.0006320700000000 ] - [ 0.0004882300000000, 0.0000135900000000, -0.0002530800000000 ] - [ -0.0402910400000000, -0.0004983800000000, 0.1070770200000000 ] - [ 0.0000502300000000, -0.0001633800000000, 0.0000383600000000 ] - [ 0.0000888000000000, 0.0000144100000000, 0.0002285100000000 ] - [ -0.0000404200000000, -0.0001503700000000, -0.0000740400000000 ] - [ 0.0000926700000000, -0.0001566000000000, -0.0001725900000000 ] - [ -0.0001009500000000, 0.0000032400000000, 0.0000589000000000 ] - [ 0.0001288200000000, -0.0003062300000000, 0.0000795600000000 ] - [ 0.0000605500000000, -0.0007987400000000, 0.0003225700000000 ] - [ -0.0004725600000000, 0.0000970800000000, -0.0000552400000000 ] - [ -0.0001793800000000, 0.0001192400000000, -0.0000858100000000 ] - [ 0.0000380400000000, -0.0001188200000000, -0.0000559900000000 ] - [ -0.0002843500000000, -0.0003524200000000, 0.0000118300000000 ] - [ -0.0001606400000000, 0.0009578400000000, -0.0008154200000000 ] - [ -0.0001083200000000, 0.0001697100000000, -0.0000921600000000 ] - [ 0.0000106400000000, 0.0001037900000000, 0.0000321300000000 ] - [ 0.0001601100000000, -0.0001726100000000, 0.0000972300000000 ] - [ -0.0000590800000000, 0.0001512000000000, -0.0000155300000000 ] - [ 0.0003094200000000, -0.0008356000000000, -0.0006630900000000 ] - [ -0.0045414100000000, -0.0111248700000000, -0.0647153600000000 ] - [ 0.0001767700000000, -0.0001860200000000, 0.0001841200000000 ] - [ 0.0005178600000000, 0.0013601200000000, -0.0003770800000000 ] - [ -0.0000220400000000, 0.0000836200000000, 0.0001175900000000 ] - [ 0.0000997300000000, -0.0000993000000000, -0.0000905900000000 ] - [ 0.0011558600000000, -0.0002282100000000, 0.0002677600000000 ] - [ -0.0002837400000000, -0.0003241800000000, -0.0000737000000000 ] - [ 0.0011529900000000, -0.0034474300000000, 0.0012002200000000 ] - [ 0.0001519500000000, -0.0001399800000000, 0.0001239400000000 ] - [ -0.0001437400000000, -0.0004988100000000, -0.0001987800000000 ] - [ -0.0016197900000000, -0.0006795500000000, -0.0000874000000000 ] - [ 0.0013854100000000, 0.0023003100000000, -0.0003052400000000 ] - [ 0.0000943100000000, -0.0001225000000000, -0.0001534200000000 ] - [ -0.0001258100000000, -0.0001087500000000, -0.0000867300000000 ] - [ -0.0002000500000000, 0.0002493400000000, -0.0001110500000000 ] - [ 0.0000034300000000, -0.0000159400000000, -0.0000511000000000 ] - [ 0.0004050800000000, -0.0004049600000000, -0.0007115700000000 ] - [ 0.0030415500000000, 0.0023115300000000, 0.0007074800000000 ] - [ 0.0001962000000000, 0.0001060800000000, 0.0005554700000000 ] - [ 0.0067981200000000, -0.0038047100000000, 0.0011351500000000 ] - [ 0.0000418600000000, 0.0000234100000000, 0.0000951700000000 ] - [ 0.0002287600000000, -0.0004711000000000, -0.0002612500000000 ] - [ -0.0000862500000000, 0.0001401800000000, 0.0001858200000000 ] - [ -0.0000914400000000, 0.0003057700000000, -0.0001863900000000 ] - [ 0.0000464700000000, -0.0001984000000000, 0.0000415700000000 ] - [ -0.0002637200000000, 0.0001944500000000, 0.0005109600000000 ] - [ 0.0000118100000000, -0.0000807700000000, 0.0001456200000000 ] - [ -0.0106267300000000, -0.0068729800000000, -0.0053223500000000 ] - [ -0.0001478700000000, 0.0001397500000000, 0.0001722400000000 ] - [ 0.0467238400000000, -0.0041770400000000, -0.0165874500000000 ] - [ 0.0000144000000000, -0.0000534700000000, 0.0000902800000000 ] - [ -0.0012649900000000, 0.0008311900000000, 0.0000219000000000 ] - [ -0.0000158400000000, 0.0001052000000000, 0.0000274600000000 ] - [ -0.0008020000000000, -0.0000353200000000, -0.0012611900000000 ] - [ -0.0001752300000000, -0.0001316800000000, 0.0002771600000000 ] - [ -0.0000569700000000, 0.0000012600000000, -0.0002375500000000 ] - [ -0.0000328800000000, 0.0002113100000000, 0.0000083500000000 ] - [ -0.0000577400000000, -0.0002809100000000, -0.0000404700000000 ] - [ 0.0000362100000000, 0.0004913600000000, -0.0006495700000000 ] - [ -0.0000405400000000, -0.0001560400000000, -0.0001308000000000 ] - [ -0.0004118600000000, -0.0003942400000000, -0.0009734600000000 ] - [ 0.0001205000000000, -0.0001424400000000, -0.0000679400000000 ] - [ 0.0000765900000000, 0.0001480900000000, 0.0002510700000000 ] - [ 0.0000230500000000, 0.0001996800000000, 0.0001754900000000 ] - [ -0.0001729600000000, 0.0001000800000000, -0.0001718300000000 ]- atom: 24 displacement: [ 0.0099998398488412, 0.0000000000000000, -0.0000565950309369 ] forces: - [ 0.0003981900000000, 0.0000112700000000, 0.0001650400000000 ] - [ 0.0001067600000000, 0.0001340300000000, 0.0000555400000000 ] - [ 0.0001588300000000, -0.0002928300000000, -0.0006136900000000 ] - [ 0.0001011700000000, 0.0006674600000000, -0.0004533200000000 ] - [ 0.0242855900000000, -0.0114519000000000, 0.0153972500000000 ] - [ -0.0001437800000000, 0.0005091000000000, 0.0001699100000000 ] - [ 0.0015231500000000, 0.0038287300000000, 0.0041923800000000 ] - [ 0.0000837100000000, -0.0005245000000000, 0.0001474600000000 ] - [ -0.0000551600000000, 0.0000330300000000, 0.0001364600000000 ] - [ -0.0008491000000000, 0.0005047300000000, 0.0002041200000000 ] - [ 0.0063979500000000, -0.0032908400000000, -0.0011112900000000 ] - [ -0.0000527400000000, -0.0001648900000000, -0.0000308200000000 ] - [ -0.0001432800000000, 0.0002364400000000, -0.0001149000000000 ] - [ 0.0001125000000000, -0.0001983200000000, 0.0002508500000000 ] - [ 0.0001046700000000, 0.0003295200000000, -0.0000261700000000 ] - [ 0.0008817900000000, -0.0016842600000000, 0.0002049900000000 ] - [ 0.0006698400000000, -0.0003791600000000, 0.0006185900000000 ] - [ 0.0001216400000000, -0.0003418600000000, -0.0000606700000000 ] - [ -0.0000268000000000, 0.0000119400000000, 0.0000504400000000 ] - [ -0.0000197000000000, -0.0000127400000000, 0.0000461000000000 ] - [ 0.0001313200000000, 0.0003311700000000, 0.0001312300000000 ] - [ 0.0000681500000000, 0.0001069600000000, -0.0000585800000000 ] - [ -0.0000008700000000, -0.0001818100000000, -0.0000923800000000 ] - [ -0.1117833100000000, -0.0060780300000000, 0.0092730800000000 ] - [ -0.0001546400000000, -0.0000360200000000, -0.0001942400000000 ] - [ 0.0000694900000000, 0.0000987600000000, -0.0000682400000000 ] - [ 0.0000296200000000, -0.0001341100000000, 0.0001590000000000 ] - [ 0.0003977800000000, -0.0002735800000000, 0.0006183200000000 ] - [ -0.0002062100000000, -0.0002079200000000, -0.0002133100000000 ] - [ -0.0001178700000000, -0.0001112900000000, 0.0001390500000000 ] - [ 0.0000467500000000, -0.0007522100000000, -0.0002849300000000 ] - [ 0.0000311800000000, 0.0001438300000000, 0.0002137800000000 ] - [ -0.0001225300000000, -0.0002936700000000, -0.0001006200000000 ] - [ 0.0002282700000000, 0.0001853500000000, -0.0001768200000000 ] - [ -0.0001444900000000, 0.0007102600000000, 0.0007553200000000 ] - [ 0.0113568600000000, -0.0060631900000000, -0.0047227900000000 ] - [ 0.0002811400000000, -0.0004843400000000, -0.0005234200000000 ] - [ -0.0000875000000000, -0.0038718400000000, -0.0032166200000000 ] - [ -0.0000338400000000, -0.0000913100000000, 0.0000336000000000 ] - [ 0.0000435000000000, 0.0000414600000000, 0.0000225500000000 ] - [ 0.0000994300000000, -0.0001780700000000, 0.0002888400000000 ] - [ 0.0000793400000000, 0.0000758000000000, 0.0000890600000000 ] - [ 0.0001837400000000, -0.0000248000000000, 0.0001056500000000 ] - [ 0.0004068100000000, -0.0000583600000000, -0.0002088100000000 ] - [ 0.0000439900000000, -0.0001554500000000, 0.0001367400000000 ] - [ -0.0001840700000000, -0.0001702800000000, -0.0001087000000000 ] - [ -0.0000701500000000, 0.0000801800000000, 0.0000750100000000 ] - [ 0.0006283400000000, 0.0003893200000000, -0.0015507900000000 ] - [ -0.0001738800000000, -0.0003326000000000, -0.0001675000000000 ] - [ -0.0001523700000000, -0.0001080300000000, -0.0001123200000000 ] - [ 0.0000648400000000, 0.0001440600000000, -0.0002109100000000 ] - [ 0.0001279100000000, -0.0000816400000000, -0.0002786900000000 ] - [ -0.0002111800000000, 0.0000497600000000, -0.0005792300000000 ] - [ 0.0127556900000000, 0.0182022700000000, 0.0136468700000000 ] - [ 0.0005376100000000, 0.0009776200000000, 0.0003944900000000 ] - [ -0.0002422900000000, 0.0004954500000000, 0.0009567400000000 ] - [ 0.0000392900000000, 0.0000403900000000, -0.0002341000000000 ] - [ -0.0000867000000000, -0.0001356700000000, 0.0001386700000000 ] - [ 0.0003190000000000, 0.0000287000000000, 0.0002322000000000 ] - [ -0.0001187600000000, -0.0001512500000000, 0.0001886100000000 ] - [ -0.0002440500000000, -0.0004074100000000, 0.0001461900000000 ] - [ 0.0028492900000000, 0.0040960000000000, -0.0005819800000000 ] - [ 0.0444359200000000, 0.0081769000000000, -0.0306841600000000 ] - [ -0.0000392900000000, -0.0001650400000000, -0.0000553200000000 ] - [ 0.0000011300000000, -0.0000571100000000, -0.0001299000000000 ] - [ -0.0001278100000000, 0.0001161600000000, -0.0000511600000000 ] - [ 0.0002000400000000, 0.0002939500000000, 0.0002346500000000 ] - [ -0.0001757800000000, 0.0004849500000000, -0.0001457600000000 ] - [ 0.0000565100000000, 0.0002491200000000, -0.0001356900000000 ] - [ -0.0004314200000000, -0.0000553200000000, -0.0002547200000000 ] - [ 0.0003494600000000, -0.0000869900000000, -0.0004601200000000 ] - [ 0.0019980200000000, -0.0038806800000000, -0.0005382000000000 ] - [ 0.0000659300000000, -0.0002670700000000, 0.0000387100000000 ] - [ 0.0000643800000000, 0.0000143600000000, 0.0002388400000000 ] - [ 0.0002577400000000, 0.0001472500000000, 0.0007299300000000 ] - [ -0.0004583400000000, 0.0002143400000000, 0.0002459100000000 ] - [ -0.0000389700000000, -0.0003143400000000, -0.0001637600000000 ] - [ -0.0001136600000000, -0.0001285300000000, 0.0001052500000000 ] - [ 0.0000685900000000, -0.0000769000000000, -0.0002897400000000 ] - [ -0.0000378300000000, -0.0001949100000000, -0.0000475400000000 ] - [ 0.0000728200000000, 0.0000403000000000, -0.0002721400000000 ] - [ 0.0014820300000000, 0.0012372300000000, -0.0011983800000000 ] - [ 0.0007077800000000, 0.0007374300000000, 0.0006454300000000 ] - [ 0.0013229500000000, -0.0002245100000000, -0.0011004000000000 ]- atom: 24 displacement: [ -0.0099998398488412, 0.0000000000000000, 0.0000565950309369 ] forces: - [ -0.0000128900000000, 0.0003674500000000, 0.0002476800000000 ] - [ 0.0002000400000000, 0.0001293200000000, 0.0001848800000000 ] - [ -0.0003874900000000, -0.0001061400000000, 0.0001256800000000 ] - [ -0.0000375700000000, -0.0003490400000000, 0.0007004900000000 ] - [ -0.0240737800000000, 0.0110851800000000, -0.0147641400000000 ] - [ 0.0000360500000000, 0.0000507000000000, -0.0002124600000000 ] - [ -0.0016740600000000, -0.0035908800000000, -0.0039326600000000 ] - [ 0.0002535300000000, -0.0001346900000000, 0.0001950700000000 ] - [ -0.0001946200000000, 0.0002387300000000, 0.0000937700000000 ] - [ 0.0003737700000000, 0.0003117100000000, 0.0001424100000000 ] - [ -0.0062545900000000, 0.0033014500000000, 0.0009115300000000 ] - [ -0.0000550900000000, -0.0001400600000000, -0.0000369900000000 ] - [ 0.0000694600000000, -0.0000072600000000, -0.0002047400000000 ] - [ 0.0001165900000000, -0.0001971600000000, 0.0002393600000000 ] - [ 0.0001462400000000, 0.0002642800000000, 0.0002292300000000 ] - [ -0.0010331600000000, 0.0015090800000000, -0.0003169200000000 ] - [ -0.0005515600000000, 0.0009224800000000, -0.0005863200000000 ] - [ 0.0003604300000000, -0.0004704500000000, -0.0002809700000000 ] - [ 0.0000612400000000, 0.0000103400000000, -0.0001379500000000 ] - [ -0.0000146400000000, -0.0000093700000000, 0.0000407300000000 ] - [ -0.0000241500000000, -0.0000257500000000, -0.0000624100000000 ] - [ -0.0000042200000000, 0.0001185700000000, 0.0000007400000000 ] - [ 0.0001107400000000, -0.0001235100000000, 0.0001608400000000 ] - [ 0.1100517200000000, 0.0059477100000000, -0.0079488000000000 ] - [ 0.0000786300000000, -0.0001908200000000, -0.0001288000000000 ] - [ 0.0001618200000000, -0.0004108100000000, -0.0002752100000000 ] - [ 0.0000460900000000, -0.0000924800000000, 0.0001629700000000 ] - [ -0.0001454200000000, -0.0003213700000000, -0.0004204500000000 ] - [ -0.0001797100000000, -0.0001722200000000, -0.0002026600000000 ] - [ -0.0001254900000000, -0.0001659300000000, 0.0000946400000000 ] - [ -0.0003600400000000, 0.0010162600000000, 0.0000558600000000 ] - [ 0.0000318800000000, -0.0003766200000000, -0.0002660300000000 ] - [ -0.0001296600000000, -0.0003003200000000, -0.0000989000000000 ] - [ 0.0000035100000000, 0.0001252600000000, -0.0001703900000000 ] - [ 0.0000386900000000, -0.0004081800000000, -0.0008333300000000 ] - [ -0.0115231700000000, 0.0063521000000000, 0.0044475200000000 ] - [ 0.0000816500000000, 0.0001332700000000, 0.0007097900000000 ] - [ 0.0000381500000000, 0.0041039300000000, 0.0032648600000000 ] - [ -0.0000291400000000, -0.0001346700000000, 0.0000228600000000 ] - [ 0.0001779900000000, 0.0002063400000000, -0.0002359900000000 ] - [ 0.0002935800000000, -0.0002009400000000, 0.0001273400000000 ] - [ -0.0001506900000000, 0.0002419900000000, -0.0003344600000000 ] - [ -0.0000346500000000, 0.0001980100000000, 0.0000413900000000 ] - [ -0.0001819100000000, -0.0001873600000000, 0.0000021400000000 ] - [ 0.0000279800000000, -0.0001634800000000, 0.0001091300000000 ] - [ -0.0001734800000000, -0.0001836500000000, -0.0000751900000000 ] - [ 0.0000778600000000, 0.0000021100000000, 0.0001671600000000 ] - [ -0.0003400500000000, -0.0006489700000000, 0.0017972900000000 ] - [ -0.0001606700000000, -0.0003286000000000, -0.0001665400000000 ] - [ -0.0001532900000000, -0.0001558200000000, -0.0001280900000000 ] - [ 0.0001104300000000, 0.0001348800000000, -0.0000776400000000 ] - [ 0.0000468500000000, -0.0001987900000000, -0.0000089100000000 ] - [ -0.0000172400000000, 0.0003430300000000, 0.0000909600000000 ] - [ -0.0129782100000000, -0.0174265200000000, -0.0139366500000000 ] - [ -0.0004740300000000, -0.0010006100000000, -0.0004885600000000 ] - [ 0.0003895800000000, -0.0006754100000000, -0.0008251400000000 ] - [ -0.0001712500000000, -0.0000553400000000, -0.0002331100000000 ] - [ -0.0000878300000000, -0.0001429200000000, 0.0001494700000000 ] - [ 0.0000407500000000, 0.0003237500000000, -0.0000455500000000 ] - [ -0.0001111800000000, -0.0001596700000000, 0.0001575200000000 ] - [ -0.0002385900000000, -0.0004036900000000, 0.0001968100000000 ] - [ -0.0030432000000000, -0.0037493600000000, 0.0008935400000000 ] - [ -0.0435887300000000, -0.0070384200000000, 0.0290843600000000 ] - [ 0.0001382800000000, -0.0002330500000000, 0.0001382900000000 ] - [ -0.0000089300000000, -0.0000250800000000, -0.0001116900000000 ] - [ -0.0000197700000000, 0.0000544000000000, -0.0000947400000000 ] - [ 0.0001358800000000, 0.0003670100000000, 0.0001017000000000 ] - [ 0.0004206500000000, -0.0002082300000000, -0.0000873800000000 ] - [ 0.0000469900000000, 0.0001480000000000, 0.0002214700000000 ] - [ 0.0004435000000000, -0.0000276600000000, 0.0004836600000000 ] - [ 0.0001341300000000, 0.0009009400000000, 0.0001233900000000 ] - [ -0.0022335000000000, 0.0041428800000000, 0.0007688600000000 ] - [ 0.0000435000000000, -0.0002945800000000, -0.0000001400000000 ] - [ 0.0000689300000000, 0.0000011800000000, 0.0002278900000000 ] - [ -0.0003935900000000, -0.0001209700000000, -0.0011948000000000 ] - [ 0.0003489100000000, 0.0001907800000000, -0.0003243400000000 ] - [ -0.0000703400000000, -0.0002449500000000, 0.0001226500000000 ] - [ -0.0001086500000000, -0.0001189500000000, 0.0001115800000000 ] - [ -0.0001410200000000, -0.0002415500000000, 0.0000415700000000 ] - [ -0.0000647900000000, -0.0002022100000000, -0.0000376500000000 ] - [ 0.0001707200000000, -0.0003158500000000, 0.0000385800000000 ] - [ -0.0014339900000000, -0.0010344900000000, 0.0015240300000000 ] - [ -0.0004532000000000, -0.0003316800000000, -0.0001494500000000 ] - [ -0.0017334800000000, 0.0006034000000000, 0.0006844400000000 ]- atom: 24 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001319100000000, 0.0002145800000000, 0.0002195400000000 ] - [ 0.0001559800000000, 0.0001333500000000, 0.0001304400000000 ] - [ -0.0002347200000000, -0.0001542200000000, -0.0002666600000000 ] - [ 0.0005965600000000, 0.0003442000000000, 0.0006609800000000 ] - [ -0.0114812100000000, 0.0244578500000000, -0.0162478900000000 ] - [ -0.0000705000000000, 0.0000751000000000, -0.0001160300000000 ] - [ 0.0041674700000000, 0.0031102800000000, 0.0010746400000000 ] - [ 0.0002590300000000, 0.0002023400000000, 0.0009887600000000 ] - [ 0.0001594800000000, -0.0005054000000000, 0.0000765800000000 ] - [ -0.0003527700000000, 0.0004680000000000, 0.0000842600000000 ] - [ -0.0047294100000000, 0.0002294600000000, 0.0029983400000000 ] - [ -0.0000283800000000, -0.0001450100000000, -0.0000443400000000 ] - [ 0.0000659900000000, 0.0001696600000000, -0.0000768600000000 ] - [ 0.0001269700000000, -0.0002033000000000, 0.0002654300000000 ] - [ 0.0002151700000000, 0.0002671100000000, 0.0000426300000000 ] - [ -0.0013642400000000, 0.0009289700000000, -0.0003491900000000 ] - [ -0.0001666800000000, 0.0020153700000000, 0.0010855800000000 ] - [ 0.0002838100000000, -0.0004717700000000, -0.0002294800000000 ] - [ 0.0000315600000000, 0.0000439400000000, -0.0000741700000000 ] - [ -0.0000256800000000, -0.0000081800000000, 0.0000167900000000 ] - [ -0.0000510900000000, 0.0001566100000000, -0.0000396600000000 ] - [ -0.0000627600000000, 0.0000479500000000, -0.0000652400000000 ] - [ 0.0000812700000000, -0.0001081600000000, 0.0000831400000000 ] - [ -0.0059870600000000, -0.1104187000000000, -0.0066866100000000 ] - [ 0.0000337600000000, -0.0002357200000000, -0.0001170400000000 ] - [ 0.0002106300000000, -0.0001875300000000, -0.0007543300000000 ] - [ 0.0000281500000000, -0.0001088700000000, 0.0001586300000000 ] - [ 0.0001422800000000, -0.0002448500000000, -0.0003785300000000 ] - [ -0.0001884900000000, -0.0001742500000000, -0.0001988300000000 ] - [ -0.0001416100000000, -0.0001457900000000, 0.0000818500000000 ] - [ -0.0000207700000000, 0.0001535200000000, -0.0004721500000000 ] - [ 0.0000096100000000, -0.0004340300000000, -0.0001615200000000 ] - [ -0.0001261600000000, -0.0002904000000000, -0.0000725600000000 ] - [ 0.0001130300000000, 0.0001207300000000, -0.0001366800000000 ] - [ 0.0004569000000000, 0.0000414900000000, -0.0008074400000000 ] - [ -0.0038669300000000, 0.0018037800000000, 0.0003901700000000 ] - [ 0.0001877000000000, 0.0001014300000000, -0.0000091400000000 ] - [ -0.0030729400000000, 0.0051942800000000, 0.0016180100000000 ] - [ -0.0000191100000000, -0.0001112700000000, 0.0000258400000000 ] - [ 0.0001914500000000, 0.0002436000000000, -0.0002396100000000 ] - [ 0.0001844500000000, -0.0002923300000000, 0.0000212800000000 ] - [ 0.0000127300000000, 0.0001590700000000, -0.0001821400000000 ] - [ 0.0000136400000000, 0.0000395000000000, -0.0000337200000000 ] - [ 0.0005387700000000, -0.0002459400000000, 0.0000561800000000 ] - [ 0.0000267700000000, -0.0001581200000000, 0.0001151400000000 ] - [ -0.0001912300000000, -0.0001759800000000, -0.0000924200000000 ] - [ 0.0000255000000000, 0.0000244800000000, 0.0001271900000000 ] - [ 0.0009487400000000, 0.0001393400000000, -0.0002425400000000 ] - [ -0.0001702500000000, -0.0003345200000000, -0.0001877100000000 ] - [ -0.0001520400000000, -0.0001501200000000, -0.0001300600000000 ] - [ 0.0001283500000000, 0.0001744600000000, -0.0000195700000000 ] - [ -0.0000018900000000, -0.0002733700000000, 0.0000550800000000 ] - [ -0.0002359600000000, 0.0002896700000000, -0.0003531800000000 ] - [ 0.0056043500000000, 0.0437646200000000, 0.0286737000000000 ] - [ 0.0009716700000000, 0.0013311100000000, 0.0020556400000000 ] - [ 0.0002796700000000, -0.0006788000000000, -0.0006932800000000 ] - [ -0.0001134800000000, -0.0001546400000000, -0.0002109100000000 ] - [ -0.0000887300000000, -0.0001248000000000, 0.0001323600000000 ] - [ 0.0001095200000000, 0.0002418000000000, 0.0000395000000000 ] - [ -0.0001066500000000, -0.0001550600000000, 0.0001586000000000 ] - [ -0.0002605200000000, -0.0004400100000000, 0.0001746100000000 ] - [ 0.0036012200000000, 0.0018346400000000, -0.0039845400000000 ] - [ 0.0184806400000000, 0.0136112900000000, -0.0142316500000000 ] - [ 0.0001186600000000, 0.0000836500000000, 0.0001140800000000 ] - [ 0.0000091000000000, -0.0000366900000000, -0.0001057200000000 ] - [ -0.0000220800000000, 0.0001288500000000, -0.0000795600000000 ] - [ 0.0001997000000000, 0.0004343600000000, 0.0002649900000000 ] - [ 0.0003462900000000, 0.0000509700000000, -0.0000196600000000 ] - [ 0.0000354200000000, 0.0001715400000000, 0.0002042100000000 ] - [ -0.0000751500000000, -0.0001485400000000, 0.0004831700000000 ] - [ 0.0002063500000000, 0.0007252200000000, -0.0000395200000000 ] - [ -0.0059953600000000, 0.0110342400000000, 0.0047508500000000 ] - [ 0.0000558400000000, -0.0002680200000000, 0.0000271900000000 ] - [ 0.0000583100000000, 0.0000326200000000, 0.0002339600000000 ] - [ 0.0000674500000000, -0.0000517900000000, -0.0004832700000000 ] - [ -0.0011712800000000, 0.0006667200000000, -0.0000284800000000 ] - [ -0.0000059300000000, -0.0003633400000000, 0.0001593500000000 ] - [ -0.0001296900000000, -0.0001324100000000, 0.0001113000000000 ] - [ -0.0000398900000000, -0.0003180100000000, -0.0000679500000000 ] - [ -0.0000525100000000, -0.0002035300000000, -0.0000462200000000 ] - [ 0.0001437300000000, -0.0000743700000000, -0.0000682400000000 ] - [ 0.0008038400000000, 0.0009939500000000, -0.0000117000000000 ] - [ 0.0009654700000000, 0.0014765900000000, 0.0018073800000000 ] - [ -0.0007817400000000, 0.0007955400000000, -0.0009113800000000 ]- atom: 24 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002488000000000, 0.0001628900000000, 0.0002054600000000 ] - [ 0.0001613400000000, 0.0001335700000000, 0.0000964700000000 ] - [ -0.0000090400000000, -0.0002378900000000, -0.0002229500000000 ] - [ -0.0005234200000000, -0.0000145500000000, -0.0004175300000000 ] - [ 0.0118427700000000, -0.0247268100000000, 0.0168961700000000 ] - [ -0.0000346300000000, 0.0004917000000000, 0.0000882900000000 ] - [ -0.0043738100000000, -0.0028505800000000, -0.0008087000000000 ] - [ 0.0000730600000000, -0.0008572200000000, -0.0006521500000000 ] - [ -0.0004024100000000, 0.0007906200000000, 0.0001710300000000 ] - [ -0.0001434500000000, 0.0003454500000000, 0.0002628300000000 ] - [ 0.0047201200000000, -0.0001664700000000, -0.0032630700000000 ] - [ -0.0000652000000000, -0.0001459000000000, -0.0000313900000000 ] - [ -0.0001483300000000, 0.0000474600000000, -0.0002541700000000 ] - [ 0.0001139000000000, -0.0001843000000000, 0.0002327900000000 ] - [ 0.0000324900000000, 0.0003181600000000, 0.0001561100000000 ] - [ 0.0012343500000000, -0.0011094400000000, 0.0002477200000000 ] - [ 0.0002676800000000, -0.0014138200000000, -0.0010577900000000 ] - [ 0.0002126700000000, -0.0003369800000000, -0.0001242300000000 ] - [ 0.0000055800000000, -0.0000182500000000, -0.0000217000000000 ] - [ -0.0000109000000000, -0.0000169700000000, 0.0000773000000000 ] - [ 0.0001460100000000, 0.0001337600000000, 0.0001151000000000 ] - [ 0.0001231700000000, 0.0001788500000000, 0.0000162500000000 ] - [ 0.0000146100000000, -0.0001821500000000, -0.0000071200000000 ] - [ 0.0061250800000000, 0.1121684700000000, 0.0080261600000000 ] - [ -0.0001165900000000, 0.0000196100000000, -0.0002161800000000 ] - [ 0.0000154600000000, -0.0001165200000000, 0.0004054400000000 ] - [ 0.0000548400000000, -0.0001061000000000, 0.0001751500000000 ] - [ 0.0001058300000000, -0.0003391600000000, 0.0005758400000000 ] - [ -0.0001948600000000, -0.0002017500000000, -0.0002272100000000 ] - [ -0.0001004600000000, -0.0001454400000000, 0.0001620200000000 ] - [ -0.0003063300000000, 0.0001226800000000, 0.0002555100000000 ] - [ 0.0000498100000000, 0.0002020900000000, 0.0001136400000000 ] - [ -0.0001214500000000, -0.0002945100000000, -0.0001240000000000 ] - [ 0.0001232700000000, 0.0001880800000000, -0.0002144500000000 ] - [ -0.0005475800000000, 0.0002470100000000, 0.0007201600000000 ] - [ 0.0034818400000000, -0.0014237400000000, -0.0005459500000000 ] - [ 0.0001827700000000, -0.0004605300000000, 0.0001830500000000 ] - [ 0.0030936000000000, -0.0051146800000000, -0.0015149500000000 ] - [ -0.0000406300000000, -0.0001157400000000, 0.0000227000000000 ] - [ 0.0000366100000000, 0.0000073200000000, 0.0000165200000000 ] - [ 0.0002069400000000, -0.0000823700000000, 0.0004129700000000 ] - [ -0.0000842900000000, 0.0001627200000000, -0.0000626700000000 ] - [ 0.0001256400000000, 0.0001440300000000, 0.0001658700000000 ] - [ -0.0003043600000000, -0.0000090500000000, -0.0002792200000000 ] - [ 0.0000456500000000, -0.0001642900000000, 0.0001275100000000 ] - [ -0.0001766100000000, -0.0001854300000000, -0.0000799600000000 ] - [ -0.0000169100000000, 0.0000511800000000, 0.0001268100000000 ] - [ -0.0006376200000000, -0.0004200100000000, 0.0004696900000000 ] - [ -0.0001582000000000, -0.0003235500000000, -0.0001428500000000 ] - [ -0.0001650400000000, -0.0001164800000000, -0.0000966700000000 ] - [ 0.0000425800000000, 0.0001076200000000, -0.0002740800000000 ] - [ 0.0001728900000000, -0.0000093700000000, -0.0003467000000000 ] - [ -0.0000022700000000, 0.0000984600000000, -0.0001402500000000 ] - [ -0.0064086500000000, -0.0441733600000000, -0.0303990300000000 ] - [ -0.0009441900000000, -0.0013324400000000, -0.0021575800000000 ] - [ -0.0001430800000000, 0.0004908000000000, 0.0008141300000000 ] - [ -0.0000206700000000, 0.0001425800000000, -0.0002543500000000 ] - [ -0.0000819500000000, -0.0001571000000000, 0.0001605800000000 ] - [ 0.0002583300000000, 0.0001197900000000, 0.0001315000000000 ] - [ -0.0001297900000000, -0.0001532100000000, 0.0001918700000000 ] - [ -0.0002366000000000, -0.0003690100000000, 0.0001790800000000 ] - [ -0.0037843100000000, -0.0015339800000000, 0.0042917000000000 ] - [ -0.0188071000000000, -0.0131293900000000, 0.0140543800000000 ] - [ -0.0000157900000000, -0.0004836500000000, -0.0000366300000000 ] - [ -0.0000173500000000, -0.0000392300000000, -0.0001467800000000 ] - [ -0.0001157700000000, 0.0000563000000000, -0.0000519900000000 ] - [ 0.0001304000000000, 0.0002236100000000, 0.0000657400000000 ] - [ -0.0001030900000000, 0.0002388300000000, -0.0002235900000000 ] - [ 0.0000690900000000, 0.0002317000000000, -0.0001236500000000 ] - [ 0.0000776400000000, 0.0000632000000000, -0.0002368800000000 ] - [ 0.0002891400000000, 0.0000870600000000, -0.0003105000000000 ] - [ 0.0058209000000000, -0.0109592500000000, -0.0046194000000000 ] - [ 0.0000487700000000, -0.0002991800000000, -0.0000017800000000 ] - [ 0.0000752900000000, -0.0000176000000000, 0.0002310300000000 ] - [ -0.0002004900000000, 0.0000623900000000, 0.0000194800000000 ] - [ 0.0010690400000000, -0.0002582800000000, -0.0000393800000000 ] - [ -0.0000995800000000, -0.0002061600000000, -0.0001870300000000 ] - [ -0.0000997900000000, -0.0001191900000000, 0.0001142000000000 ] - [ -0.0000331700000000, -0.0000003200000000, -0.0001770800000000 ] - [ -0.0000512600000000, -0.0001983100000000, -0.0000331300000000 ] - [ 0.0000951500000000, -0.0002181000000000, -0.0001770200000000 ] - [ -0.0007297700000000, -0.0008116900000000, 0.0003470400000000 ] - [ -0.0007049300000000, -0.0010620000000000, -0.0012988200000000 ] - [ 0.0004186200000000, -0.0004264600000000, 0.0004752300000000 ]- atom: 24 displacement: [ -0.0027030911372206, 0.0000000000000000, 0.0096277358866911 ] forces: - [ 0.0002197700000000, 0.0003410300000000, 0.0002528200000000 ] - [ 0.0001416100000000, 0.0001137900000000, 0.0001216400000000 ] - [ -0.0000150600000000, -0.0001011400000000, -0.0002116400000000 ] - [ -0.0001072700000000, 0.0002447700000000, 0.0001356700000000 ] - [ 0.0130188400000000, -0.0170578800000000, 0.0226366700000000 ] - [ 0.0001355200000000, -0.0000395800000000, -0.0000127800000000 ] - [ -0.0000105800000000, -0.0033830800000000, -0.0061832100000000 ] - [ 0.0003401100000000, -0.0006203000000000, 0.0000417000000000 ] - [ -0.0008927800000000, 0.0010217200000000, -0.0000556500000000 ] - [ -0.0009637500000000, 0.0008820300000000, -0.0001600400000000 ] - [ 0.0028379800000000, 0.0005595100000000, -0.0004937000000000 ] - [ -0.0000682200000000, -0.0001490600000000, -0.0000252600000000 ] - [ -0.0000317300000000, 0.0001788500000000, -0.0001174900000000 ] - [ 0.0001054600000000, -0.0002075300000000, 0.0002385100000000 ] - [ 0.0001157800000000, 0.0003389700000000, 0.0001054600000000 ] - [ 0.0016172900000000, -0.0015823400000000, 0.0033720600000000 ] - [ -0.0000534300000000, 0.0006381100000000, -0.0001596000000000 ] - [ 0.0002964700000000, -0.0004858300000000, -0.0001386200000000 ] - [ 0.0000032900000000, 0.0000194700000000, -0.0000173000000000 ] - [ 0.0000106200000000, -0.0000185100000000, 0.0000241200000000 ] - [ 0.0000361700000000, 0.0001390600000000, -0.0000760800000000 ] - [ -0.0000315800000000, 0.0001171400000000, -0.0000319400000000 ] - [ -0.0000760600000000, -0.0000821900000000, -0.0000728600000000 ] - [ 0.0365728200000000, -0.0051707600000000, -0.1230750800000000 ] - [ -0.0000085800000000, -0.0000901700000000, 0.0000377700000000 ] - [ 0.0003913800000000, -0.0007431700000000, 0.0002279300000000 ] - [ 0.0000208500000000, -0.0001497800000000, 0.0001492000000000 ] - [ 0.0000254200000000, -0.0005557600000000, -0.0000616300000000 ] - [ -0.0001683900000000, -0.0001910300000000, -0.0001947200000000 ] - [ -0.0001330500000000, -0.0001201600000000, 0.0000844300000000 ] - [ -0.0004291100000000, -0.0001754600000000, -0.0003466000000000 ] - [ 0.0000282500000000, 0.0007792900000000, -0.0001290600000000 ] - [ -0.0001324900000000, -0.0002944600000000, -0.0001040200000000 ] - [ 0.0000867100000000, 0.0001358600000000, -0.0001677500000000 ] - [ 0.0003015900000000, -0.0003642900000000, -0.0028521300000000 ] - [ -0.0064304900000000, 0.0074013700000000, 0.0052302800000000 ] - [ -0.0002515300000000, -0.0001844800000000, -0.0001796400000000 ] - [ 0.0002606100000000, -0.0021358900000000, 0.0000588200000000 ] - [ -0.0000290500000000, -0.0001055100000000, 0.0000320800000000 ] - [ 0.0002124300000000, 0.0001138600000000, -0.0001027200000000 ] - [ -0.0001982100000000, -0.0001818700000000, 0.0000028000000000 ] - [ 0.0000073100000000, 0.0002043900000000, -0.0002824400000000 ] - [ -0.0000538600000000, -0.0000047100000000, 0.0000225900000000 ] - [ 0.0000872700000000, -0.0001652600000000, -0.0008756500000000 ] - [ 0.0000315500000000, -0.0001430000000000, 0.0001306300000000 ] - [ -0.0002218100000000, -0.0001767400000000, -0.0001299900000000 ] - [ -0.0000378700000000, 0.0000564700000000, 0.0000574100000000 ] - [ -0.0011585900000000, -0.0009748200000000, 0.0018639500000000 ] - [ -0.0001669900000000, -0.0003339500000000, -0.0001842300000000 ] - [ -0.0001430000000000, -0.0001158000000000, -0.0001455400000000 ] - [ 0.0000968900000000, 0.0001615700000000, -0.0001696400000000 ] - [ -0.0000094300000000, 0.0000215000000000, -0.0001660700000000 ] - [ -0.0001030600000000, 0.0001362100000000, -0.0000770500000000 ] - [ 0.0074857900000000, 0.0337733500000000, 0.0418596100000000 ] - [ 0.0009491800000000, 0.0009973700000000, 0.0012872400000000 ] - [ 0.0009334300000000, -0.0010626900000000, 0.0006691400000000 ] - [ -0.0000912300000000, -0.0000394800000000, -0.0002299400000000 ] - [ -0.0000843400000000, -0.0001404400000000, 0.0001571000000000 ] - [ 0.0000883500000000, 0.0002905600000000, -0.0000035300000000 ] - [ -0.0001080200000000, -0.0001563900000000, 0.0001482500000000 ] - [ -0.0002208200000000, -0.0003917300000000, 0.0001335200000000 ] - [ 0.0018099600000000, -0.0016155600000000, -0.0048227300000000 ] - [ -0.0496886400000000, -0.0130961200000000, 0.0516795300000000 ] - [ 0.0002719500000000, -0.0006070000000000, -0.0000259600000000 ] - [ 0.0000144400000000, -0.0000323500000000, -0.0000927800000000 ] - [ -0.0000394900000000, 0.0001036700000000, -0.0000959200000000 ] - [ 0.0001748800000000, 0.0003362600000000, 0.0001785100000000 ] - [ 0.0001904700000000, -0.0000564400000000, -0.0003791000000000 ] - [ 0.0000396400000000, 0.0001641700000000, 0.0003171700000000 ] - [ -0.0004680000000000, 0.0004489600000000, 0.0006749500000000 ] - [ 0.0001360800000000, 0.0008690800000000, 0.0003675200000000 ] - [ -0.0060308200000000, 0.0037498800000000, 0.0036941500000000 ] - [ 0.0000510800000000, -0.0002704700000000, 0.0000159700000000 ] - [ 0.0000681900000000, 0.0000026600000000, 0.0002316400000000 ] - [ 0.0007805300000000, -0.0002846000000000, 0.0003202400000000 ] - [ -0.0000317300000000, 0.0000598600000000, -0.0001190400000000 ] - [ -0.0002732400000000, 0.0000043400000000, -0.0004176100000000 ] - [ -0.0001118300000000, -0.0001311300000000, 0.0001067400000000 ] - [ 0.0002041800000000, -0.0003711700000000, -0.0003057300000000 ] - [ -0.0000648100000000, -0.0002177400000000, -0.0000378800000000 ] - [ 0.0003734800000000, -0.0001655800000000, -0.0000319900000000 ] - [ -0.0010259100000000, -0.0007461900000000, 0.0035195000000000 ] - [ 0.0002549300000000, 0.0008880200000000, 0.0030100000000000 ] - [ -0.0006637100000000, 0.0001964200000000, 0.0003650300000000 ]- atom: 24 displacement: [ 0.0027030911372206, 0.0000000000000000, -0.0096277358866911 ] forces: - [ 0.0001680700000000, 0.0000384800000000, 0.0001464400000000 ] - [ 0.0001552700000000, 0.0001466700000000, 0.0001228700000000 ] - [ -0.0002079200000000, -0.0002978300000000, -0.0002768900000000 ] - [ 0.0001770900000000, 0.0000772100000000, 0.0001226500000000 ] - [ -0.0125604100000000, 0.0166353300000000, -0.0222233200000000 ] - [ -0.0002478800000000, 0.0006058700000000, -0.0000402600000000 ] - [ -0.0001569900000000, 0.0037347800000000, 0.0064984500000000 ] - [ 0.0000074800000000, -0.0000387800000000, 0.0003045800000000 ] - [ 0.0006552100000000, -0.0007540800000000, 0.0002628600000000 ] - [ 0.0004835000000000, -0.0000778600000000, 0.0004806500000000 ] - [ -0.0029131500000000, -0.0004565200000000, 0.0002778100000000 ] - [ -0.0000534000000000, -0.0001677200000000, -0.0000396200000000 ] - [ -0.0000381300000000, 0.0000564000000000, -0.0001995600000000 ] - [ 0.0001112400000000, -0.0001943300000000, 0.0002498600000000 ] - [ 0.0001427600000000, 0.0002691400000000, 0.0001017800000000 ] - [ -0.0018075100000000, 0.0014350200000000, -0.0035978300000000 ] - [ 0.0001619400000000, -0.0000913200000000, 0.0002028000000000 ] - [ 0.0001798000000000, -0.0003241400000000, -0.0001973100000000 ] - [ 0.0000316000000000, 0.0000014800000000, -0.0000760600000000 ] - [ -0.0000441900000000, -0.0000044900000000, 0.0000689900000000 ] - [ 0.0000840200000000, 0.0001783000000000, 0.0001409700000000 ] - [ 0.0000962600000000, 0.0001023600000000, -0.0000388300000000 ] - [ 0.0001978300000000, -0.0002359500000000, 0.0001386900000000 ] - [ -0.0385721200000000, 0.0057061300000000, 0.1258910100000000 ] - [ -0.0000579300000000, -0.0001482100000000, -0.0003540500000000 ] - [ -0.0001399400000000, 0.0004198900000000, -0.0005768000000000 ] - [ 0.0000487700000000, -0.0000876400000000, 0.0001675600000000 ] - [ 0.0002321000000000, -0.0000544600000000, 0.0002639900000000 ] - [ -0.0002196900000000, -0.0001900400000000, -0.0002084800000000 ] - [ -0.0001084100000000, -0.0001449100000000, 0.0001403600000000 ] - [ 0.0001036300000000, 0.0004283300000000, 0.0000821100000000 ] - [ 0.0000323600000000, -0.0009808800000000, 0.0000625300000000 ] - [ -0.0001241900000000, -0.0003125800000000, -0.0001021300000000 ] - [ 0.0001441000000000, 0.0001800900000000, -0.0001727300000000 ] - [ -0.0004258000000000, 0.0006807000000000, 0.0028065800000000 ] - [ 0.0061417400000000, -0.0070986600000000, -0.0054959600000000 ] - [ 0.0005899600000000, -0.0001621100000000, 0.0003730200000000 ] - [ -0.0003277900000000, 0.0024142600000000, 0.0000573300000000 ] - [ -0.0000339800000000, -0.0001142400000000, 0.0000366300000000 ] - [ 0.0000004200000000, 0.0001291300000000, -0.0001027900000000 ] - [ 0.0005706800000000, -0.0001994300000000, 0.0003982300000000 ] - [ -0.0000805200000000, 0.0001097700000000, 0.0000280100000000 ] - [ 0.0002045400000000, 0.0001676300000000, 0.0001346700000000 ] - [ 0.0001251900000000, -0.0000745800000000, 0.0006655300000000 ] - [ 0.0000410500000000, -0.0001723600000000, 0.0001266900000000 ] - [ -0.0001271600000000, -0.0001681800000000, -0.0000655900000000 ] - [ 0.0000437200000000, 0.0000287900000000, 0.0001699200000000 ] - [ 0.0014274000000000, 0.0007059900000000, -0.0015817500000000 ] - [ -0.0001792300000000, -0.0003311400000000, -0.0001563200000000 ] - [ -0.0001560200000000, -0.0001443600000000, -0.0000970900000000 ] - [ 0.0000860900000000, 0.0001167800000000, -0.0001135800000000 ] - [ 0.0001915500000000, -0.0003018200000000, -0.0001159000000000 ] - [ -0.0001142600000000, 0.0002628300000000, -0.0004097500000000 ] - [ -0.0082198000000000, -0.0341303300000000, -0.0429937200000000 ] - [ -0.0009078700000000, -0.0010050000000000, -0.0013678000000000 ] - [ -0.0008038000000000, 0.0009257400000000, -0.0005060500000000 ] - [ -0.0000340900000000, 0.0000312100000000, -0.0002432300000000 ] - [ -0.0000971000000000, -0.0001385700000000, 0.0001266000000000 ] - [ 0.0002581700000000, 0.0000539200000000, 0.0001964400000000 ] - [ -0.0001194300000000, -0.0001594000000000, 0.0001941900000000 ] - [ -0.0002520900000000, -0.0004166700000000, 0.0001974800000000 ] - [ -0.0021070300000000, 0.0019397300000000, 0.0051998600000000 ] - [ 0.0516084300000000, 0.0144637300000000, -0.0536726700000000 ] - [ -0.0001678900000000, 0.0002156700000000, 0.0001087200000000 ] - [ -0.0000170600000000, -0.0000537900000000, -0.0001346100000000 ] - [ -0.0001146400000000, 0.0000615600000000, -0.0000598000000000 ] - [ 0.0001710900000000, 0.0003286600000000, 0.0001623500000000 ] - [ 0.0000504400000000, 0.0003264200000000, 0.0001662300000000 ] - [ 0.0000630200000000, 0.0002301400000000, -0.0002411900000000 ] - [ 0.0004707200000000, -0.0005220900000000, -0.0004225300000000 ] - [ 0.0003400500000000, -0.0000764500000000, -0.0007123000000000 ] - [ 0.0058219200000000, -0.0035011100000000, -0.0035171200000000 ] - [ 0.0000619100000000, -0.0002863800000000, 0.0000378000000000 ] - [ 0.0000575100000000, 0.0000060400000000, 0.0002413100000000 ] - [ -0.0009037800000000, 0.0002683100000000, -0.0007984900000000 ] - [ -0.0000662700000000, 0.0003554800000000, 0.0000223400000000 ] - [ 0.0001618000000000, -0.0005593500000000, 0.0003679300000000 ] - [ -0.0001021300000000, -0.0001103600000000, 0.0001000300000000 ] - [ -0.0002790200000000, 0.0000504300000000, 0.0000485400000000 ] - [ -0.0000375100000000, -0.0001736800000000, -0.0000447300000000 ] - [ -0.0001319000000000, -0.0000971000000000, -0.0001875500000000 ] - [ 0.0011076000000000, 0.0009688700000000, -0.0032238000000000 ] - [ -0.0000278100000000, -0.0004947100000000, -0.0025446100000000 ] - [ 0.0002778100000000, 0.0001963700000000, -0.0007805500000000 ]- atom: 26 displacement: [ 0.0099998398488412, 0.0000000000000000, -0.0000565950309369 ] forces: - [ 0.0001929300000000, 0.0001915300000000, 0.0001898000000000 ] - [ 0.0001637800000000, 0.0001191600000000, 0.0001413700000000 ] - [ 0.0463033700000000, 0.0066994100000000, -0.0294082800000000 ] - [ -0.0000853800000000, 0.0001021700000000, 0.0000660300000000 ] - [ 0.0001725500000000, 0.0005078500000000, -0.0010268600000000 ] - [ -0.0000696000000000, 0.0002840700000000, -0.0000121300000000 ] - [ -0.0001805000000000, 0.0003811400000000, 0.0004608400000000 ] - [ 0.0022204100000000, 0.0007623700000000, -0.0009142800000000 ] - [ -0.0001921700000000, 0.0001634800000000, 0.0002042700000000 ] - [ -0.0001266400000000, 0.0003129600000000, 0.0001321500000000 ] - [ -0.0000346700000000, 0.0000385200000000, 0.0000732900000000 ] - [ -0.0001084300000000, -0.0001716800000000, -0.0000401100000000 ] - [ -0.0000286500000000, 0.0001265000000000, -0.0001868000000000 ] - [ 0.0000664200000000, -0.0002310200000000, 0.0002127400000000 ] - [ 0.0001355400000000, 0.0003068000000000, 0.0001059200000000 ] - [ -0.0001543900000000, -0.0001126400000000, -0.0000381600000000 ] - [ -0.0001112800000000, 0.0001906400000000, 0.0000284100000000 ] - [ -0.0008058800000000, -0.0012636600000000, -0.0005085600000000 ] - [ 0.0000306600000000, -0.0000015700000000, -0.0000559500000000 ] - [ 0.0000076600000000, -0.0000175800000000, 0.0000778400000000 ] - [ 0.0000561300000000, 0.0001547500000000, 0.0000328800000000 ] - [ 0.0000292000000000, 0.0000958200000000, -0.0000084000000000 ] - [ 0.0016259800000000, 0.0041466900000000, 0.0000570900000000 ] - [ 0.0000206200000000, 0.0000944000000000, 0.0004986500000000 ] - [ 0.0016001600000000, 0.0010553300000000, -0.0003267700000000 ] - [ -0.1185467000000000, -0.0252479600000000, -0.0019872000000000 ] - [ -0.0000495800000000, -0.0000460500000000, 0.0001737300000000 ] - [ 0.0242319800000000, 0.0284631100000000, 0.0169653300000000 ] - [ -0.0001011700000000, -0.0001240100000000, -0.0000823000000000 ] - [ -0.0002399900000000, -0.0001769000000000, 0.0001769300000000 ] - [ 0.0002652600000000, 0.0001459700000000, -0.0002217300000000 ] - [ 0.0000922100000000, -0.0005163500000000, 0.0002805500000000 ] - [ -0.0002995500000000, -0.0003139400000000, -0.0000807900000000 ] - [ 0.0001067400000000, 0.0001591800000000, -0.0001653000000000 ] - [ -0.0001100100000000, 0.0001990500000000, -0.0001081100000000 ] - [ -0.0002176100000000, 0.0003879800000000, -0.0001641300000000 ] - [ -0.0022915300000000, -0.0002482300000000, -0.0000382200000000 ] - [ -0.0000250900000000, 0.0000567500000000, -0.0001307800000000 ] - [ -0.0000168100000000, -0.0001625100000000, 0.0000061200000000 ] - [ 0.0001020700000000, 0.0001262400000000, -0.0001065400000000 ] - [ 0.0072605400000000, -0.0020825800000000, 0.0011250900000000 ] - [ -0.0000432700000000, 0.0001512900000000, -0.0001197300000000 ] - [ 0.0034803800000000, -0.0022170300000000, 0.0004782200000000 ] - [ 0.0010616500000000, -0.0001124100000000, 0.0006630400000000 ] - [ -0.0000743900000000, -0.0000817600000000, 0.0001078200000000 ] - [ -0.0002495400000000, -0.0001701100000000, 0.0000053100000000 ] - [ 0.0000133900000000, 0.0000370400000000, 0.0000895500000000 ] - [ 0.0244137800000000, -0.0118160700000000, 0.0154157200000000 ] - [ -0.0001469500000000, -0.0003228100000000, -0.0001350200000000 ] - [ -0.0001515700000000, -0.0001524800000000, -0.0002194400000000 ] - [ 0.0000875100000000, 0.0001423800000000, -0.0001388400000000 ] - [ -0.0003509000000000, 0.0011376700000000, 0.0003504300000000 ] - [ -0.0001082100000000, 0.0002061300000000, -0.0002297200000000 ] - [ -0.0002272700000000, 0.0003143100000000, -0.0000303800000000 ] - [ 0.0003228600000000, -0.0001237200000000, 0.0003031500000000 ] - [ 0.0000872500000000, -0.0000935200000000, 0.0001016700000000 ] - [ -0.0000707300000000, -0.0000169300000000, -0.0002319700000000 ] - [ -0.0000506800000000, -0.0001010600000000, 0.0001211400000000 ] - [ 0.0001571200000000, 0.0001758900000000, 0.0001138600000000 ] - [ -0.0001658600000000, -0.0001933200000000, 0.0000781800000000 ] - [ 0.0000281200000000, -0.0006271900000000, 0.0001689800000000 ] - [ -0.0002498800000000, 0.0001666600000000, 0.0000077600000000 ] - [ 0.0001864700000000, 0.0003137200000000, -0.0006058800000000 ] - [ 0.0005800400000000, -0.0001398000000000, 0.0002088900000000 ] - [ 0.0000199700000000, 0.0000174700000000, -0.0000474100000000 ] - [ -0.0001092600000000, 0.0001574600000000, 0.0004197000000000 ] - [ 0.0001724200000000, 0.0003380500000000, 0.0001650100000000 ] - [ 0.0001478600000000, 0.0001351100000000, -0.0001089500000000 ] - [ 0.0000463600000000, 0.0002028600000000, 0.0000443900000000 ] - [ -0.0006272700000000, -0.0065877700000000, 0.0001007300000000 ] - [ 0.0002476300000000, 0.0004234500000000, -0.0001716400000000 ] - [ -0.0000674000000000, 0.0001006800000000, 0.0001972300000000 ] - [ -0.0000552300000000, -0.0002012000000000, -0.0000343800000000 ] - [ 0.0001791800000000, 0.0000106200000000, 0.0002384600000000 ] - [ 0.0029222300000000, 0.0037592700000000, 0.0026690500000000 ] - [ 0.0000384500000000, 0.0003040900000000, 0.0001549200000000 ] - [ 0.0006359300000000, -0.0001054000000000, -0.0004740400000000 ] - [ -0.0001696200000000, -0.0000111400000000, 0.0000433500000000 ] - [ 0.0001068500000000, -0.0010627100000000, -0.0003823100000000 ] - [ -0.0000301100000000, -0.0001583800000000, -0.0001350500000000 ] - [ 0.0072256900000000, 0.0011065500000000, -0.0046676100000000 ] - [ 0.0001517100000000, 0.0000647500000000, 0.0003794400000000 ] - [ -0.0000145600000000, 0.0003119100000000, 0.0002378100000000 ] - [ -0.0002387400000000, 0.0001622400000000, -0.0005291000000000 ]- atom: 26 displacement: [ -0.0099998398488412, 0.0000000000000000, 0.0000565950309369 ] forces: - [ 0.0001928500000000, 0.0001884000000000, 0.0002259700000000 ] - [ 0.0001433700000000, 0.0001438900000000, 0.0000954900000000 ] - [ -0.0477556100000000, -0.0077695100000000, 0.0303151100000000 ] - [ 0.0001602900000000, 0.0002165700000000, 0.0001816000000000 ] - [ -0.0001974700000000, -0.0004908100000000, 0.0011081400000000 ] - [ -0.0000385200000000, 0.0002790100000000, -0.0000262600000000 ] - [ 0.0000072100000000, -0.0001062400000000, -0.0001732500000000 ] - [ -0.0018704100000000, -0.0014286500000000, 0.0012408300000000 ] - [ -0.0000509400000000, 0.0001156000000000, 0.0000304900000000 ] - [ -0.0003603800000000, 0.0004946400000000, 0.0002106400000000 ] - [ 0.0000288600000000, 0.0000404700000000, -0.0003133800000000 ] - [ 0.0000012600000000, -0.0001322000000000, -0.0000319700000000 ] - [ -0.0000468800000000, 0.0000990900000000, -0.0001388900000000 ] - [ 0.0001631000000000, -0.0001642500000000, 0.0002804600000000 ] - [ 0.0001162900000000, 0.0002884200000000, 0.0000964700000000 ] - [ 0.0000070900000000, -0.0000590800000000, -0.0001036800000000 ] - [ 0.0002163700000000, 0.0003762200000000, 0.0000059100000000 ] - [ 0.0013019600000000, 0.0004742800000000, 0.0001737400000000 ] - [ 0.0000047500000000, 0.0000252500000000, -0.0000358800000000 ] - [ -0.0000427700000000, -0.0000056900000000, 0.0000135400000000 ] - [ 0.0000506000000000, 0.0001488200000000, 0.0000394200000000 ] - [ 0.0000320600000000, 0.0001265700000000, -0.0000487200000000 ] - [ -0.0015453800000000, -0.0044895600000000, 0.0000496600000000 ] - [ 0.0001073700000000, -0.0001088400000000, -0.0000286600000000 ] - [ -0.0017015400000000, -0.0012967600000000, -0.0000163300000000 ] - [ 0.1204198100000000, 0.0247940500000000, 0.0004194400000000 ] - [ 0.0001260300000000, -0.0001794000000000, 0.0001527400000000 ] - [ -0.0238880500000000, -0.0286193100000000, -0.0164464600000000 ] - [ -0.0002860200000000, -0.0002565900000000, -0.0003332800000000 ] - [ -0.0000024900000000, -0.0001012100000000, 0.0000518400000000 ] - [ -0.0005699500000000, 0.0001151400000000, -0.0000126300000000 ] - [ -0.0000346100000000, 0.0002922100000000, -0.0003268800000000 ] - [ 0.0000480900000000, -0.0002824200000000, -0.0001217700000000 ] - [ 0.0001251800000000, 0.0001531300000000, -0.0001787900000000 ] - [ 0.0000036900000000, 0.0001053500000000, 0.0000349600000000 ] - [ -0.0001457200000000, -0.0000303000000000, -0.0000206900000000 ] - [ 0.0026279600000000, -0.0001211000000000, 0.0002245000000000 ] - [ -0.0000395000000000, 0.0001638700000000, 0.0001848600000000 ] - [ -0.0000440500000000, -0.0000603500000000, 0.0000510000000000 ] - [ 0.0001198400000000, 0.0001218600000000, -0.0001098700000000 ] - [ -0.0070113000000000, 0.0017404800000000, -0.0007655600000000 ] - [ -0.0000287700000000, 0.0001676800000000, -0.0001283800000000 ] - [ -0.0034011900000000, 0.0024034500000000, -0.0003426700000000 ] - [ -0.0008331000000000, -0.0001395500000000, -0.0008888500000000 ] - [ 0.0001468200000000, -0.0002375900000000, 0.0001391900000000 ] - [ -0.0001091400000000, -0.0001832400000000, -0.0001889700000000 ] - [ -0.0000077600000000, 0.0000426600000000, 0.0001524100000000 ] - [ -0.0243545300000000, 0.0119349700000000, -0.0157216100000000 ] - [ -0.0001903700000000, -0.0003380500000000, -0.0002019700000000 ] - [ -0.0001555400000000, -0.0001105500000000, -0.0000169400000000 ] - [ 0.0000885700000000, 0.0001370000000000, -0.0001478500000000 ] - [ 0.0005159800000000, -0.0014067900000000, -0.0006220900000000 ] - [ -0.0001216100000000, 0.0001898100000000, -0.0002634800000000 ] - [ -0.0001104200000000, 0.0003458300000000, -0.0003058100000000 ] - [ -0.0002808400000000, 0.0000911800000000, -0.0004010300000000 ] - [ 0.0000587700000000, -0.0000815100000000, 0.0000400600000000 ] - [ -0.0000592800000000, 0.0000050300000000, -0.0002356900000000 ] - [ -0.0001247300000000, -0.0001785500000000, 0.0001656200000000 ] - [ 0.0002019800000000, 0.0001777900000000, 0.0000697500000000 ] - [ -0.0000650200000000, -0.0001182300000000, 0.0002663500000000 ] - [ -0.0005139400000000, -0.0001821300000000, 0.0001730000000000 ] - [ 0.0000173900000000, 0.0001460000000000, 0.0003334200000000 ] - [ -0.0004348400000000, 0.0002845200000000, 0.0003974300000000 ] - [ -0.0004664600000000, -0.0002571900000000, -0.0001245200000000 ] - [ -0.0000256500000000, -0.0000982400000000, -0.0001945300000000 ] - [ -0.0000343900000000, 0.0000161500000000, -0.0005725200000000 ] - [ 0.0001649100000000, 0.0003223600000000, 0.0001712200000000 ] - [ 0.0000961000000000, 0.0001427400000000, -0.0001253200000000 ] - [ 0.0000575000000000, 0.0001933600000000, 0.0000386000000000 ] - [ 0.0006422200000000, 0.0064806200000000, 0.0001633300000000 ] - [ 0.0002385300000000, 0.0003872400000000, -0.0001702700000000 ] - [ -0.0001536700000000, 0.0001482700000000, 0.0000176400000000 ] - [ 0.0001633000000000, -0.0003628600000000, 0.0000717200000000 ] - [ -0.0000494500000000, 0.0000020200000000, 0.0002286300000000 ] - [ -0.0030066200000000, -0.0036718500000000, -0.0031186800000000 ] - [ -0.0001458300000000, 0.0000911400000000, -0.0002396800000000 ] - [ -0.0007194300000000, -0.0004585100000000, 0.0004333900000000 ] - [ -0.0000528200000000, -0.0002377900000000, 0.0001736000000000 ] - [ -0.0001898800000000, 0.0007432800000000, 0.0001314900000000 ] - [ -0.0000733200000000, -0.0002383200000000, 0.0000524200000000 ] - [ -0.0070735200000000, -0.0014114000000000, 0.0045266800000000 ] - [ -0.0000774200000000, 0.0001561000000000, -0.0000554000000000 ] - [ 0.0002433900000000, 0.0000845500000000, 0.0002554400000000 ] - [ -0.0001483800000000, 0.0002175700000000, 0.0001110500000000 ]- atom: 26 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002082400000000, 0.0001844700000000, 0.0001869900000000 ] - [ 0.0001547800000000, 0.0001166500000000, 0.0001200700000000 ] - [ 0.0186911700000000, 0.0167943900000000, -0.0140781000000000 ] - [ 0.0001735500000000, 0.0002502800000000, 0.0003247300000000 ] - [ 0.0003695800000000, 0.0002475600000000, -0.0000057700000000 ] - [ -0.0000660900000000, 0.0002727600000000, -0.0000461400000000 ] - [ 0.0000494700000000, 0.0000527100000000, -0.0000224300000000 ] - [ 0.0005992300000000, 0.0013621800000000, -0.0002296500000000 ] - [ -0.0000537300000000, -0.0000454600000000, -0.0000418000000000 ] - [ -0.0001436800000000, 0.0004460200000000, 0.0002795300000000 ] - [ 0.0000200500000000, 0.0000076000000000, -0.0001809600000000 ] - [ -0.0000726300000000, -0.0001351700000000, -0.0000999200000000 ] - [ -0.0000211500000000, 0.0001358600000000, -0.0001603600000000 ] - [ 0.0000672600000000, -0.0002958500000000, 0.0003030600000000 ] - [ 0.0001486100000000, 0.0003080100000000, 0.0000987600000000 ] - [ -0.0001256000000000, -0.0000172000000000, -0.0000808800000000 ] - [ 0.0001206700000000, 0.0003056500000000, 0.0000198000000000 ] - [ -0.0001769500000000, -0.0000624900000000, -0.0000315100000000 ] - [ 0.0000343400000000, 0.0000083600000000, -0.0000532300000000 ] - [ 0.0000230700000000, -0.0000266900000000, -0.0000362100000000 ] - [ 0.0000576600000000, 0.0001612700000000, 0.0000328100000000 ] - [ 0.0000255400000000, 0.0001054500000000, -0.0000472300000000 ] - [ 0.0036844200000000, 0.0018359100000000, -0.0038006100000000 ] - [ 0.0003141900000000, -0.0000355100000000, -0.0002926600000000 ] - [ 0.0012466200000000, 0.0014386100000000, 0.0010439900000000 ] - [ -0.0252837500000000, -0.1105273700000000, 0.0023179300000000 ] - [ 0.0000036600000000, -0.0001704300000000, 0.0000530300000000 ] - [ 0.0167817500000000, 0.0469697600000000, 0.0272576100000000 ] - [ -0.0002826200000000, 0.0000222200000000, -0.0000488100000000 ] - [ 0.0001629700000000, -0.0005900600000000, 0.0001029100000000 ] - [ -0.0001859800000000, -0.0001369300000000, 0.0001135300000000 ] - [ -0.0000482000000000, 0.0008565100000000, 0.0007787700000000 ] - [ -0.0001744200000000, -0.0003345700000000, -0.0000858700000000 ] - [ 0.0001150900000000, 0.0001560500000000, -0.0001758000000000 ] - [ -0.0000281900000000, 0.0001189900000000, 0.0000769500000000 ] - [ -0.0002790100000000, 0.0003949300000000, 0.0000175900000000 ] - [ 0.0020271900000000, 0.0075244200000000, 0.0014909100000000 ] - [ -0.0000425400000000, -0.0000837600000000, 0.0002286800000000 ] - [ -0.0000381500000000, -0.0000828500000000, 0.0000613400000000 ] - [ 0.0001105800000000, 0.0001193100000000, -0.0000962400000000 ] - [ -0.0062961100000000, -0.0006940100000000, 0.0012279800000000 ] - [ -0.0000397000000000, 0.0001625300000000, -0.0001343800000000 ] - [ -0.0020523600000000, 0.0003179700000000, -0.0007194800000000 ] - [ -0.0016001400000000, 0.0011683100000000, -0.0006029000000000 ] - [ 0.0000210400000000, -0.0001081400000000, -0.0000286400000000 ] - [ -0.0003054800000000, -0.0001244000000000, -0.0000203400000000 ] - [ -0.0000087900000000, 0.0000544100000000, 0.0000991700000000 ] - [ -0.0105535500000000, 0.0235455400000000, -0.0151877200000000 ] - [ -0.0002028600000000, -0.0003370800000000, -0.0001919100000000 ] - [ -0.0001478500000000, -0.0000915400000000, -0.0000554300000000 ] - [ 0.0000889900000000, 0.0001430300000000, -0.0001303800000000 ] - [ 0.0011883100000000, -0.0006378900000000, -0.0004688400000000 ] - [ -0.0000967700000000, 0.0002115100000000, -0.0002510700000000 ] - [ -0.0001749100000000, 0.0004929400000000, -0.0004583200000000 ] - [ -0.0006996600000000, -0.0000820100000000, 0.0000033900000000 ] - [ 0.0000613400000000, -0.0001210600000000, 0.0000515800000000 ] - [ -0.0000632400000000, 0.0000007400000000, -0.0002415900000000 ] - [ -0.0000862300000000, -0.0001172700000000, 0.0001636500000000 ] - [ 0.0001712900000000, 0.0001675400000000, 0.0001148900000000 ] - [ -0.0000810200000000, -0.0001532800000000, 0.0001293000000000 ] - [ -0.0002745200000000, -0.0001228100000000, 0.0001648100000000 ] - [ -0.0001077000000000, 0.0001762900000000, 0.0003253300000000 ] - [ -0.0002316500000000, 0.0002864400000000, -0.0002156700000000 ] - [ -0.0000124300000000, -0.0002873400000000, 0.0003845200000000 ] - [ 0.0000910400000000, -0.0000456100000000, -0.0000427500000000 ] - [ 0.0003776900000000, -0.0001765100000000, -0.0004367900000000 ] - [ 0.0001818000000000, 0.0003427500000000, 0.0001721500000000 ] - [ 0.0001153400000000, 0.0001288700000000, -0.0001066600000000 ] - [ 0.0000435400000000, 0.0001955800000000, 0.0000452000000000 ] - [ -0.0003382700000000, 0.0092990900000000, -0.0009986500000000 ] - [ 0.0002586200000000, 0.0003897400000000, -0.0001426000000000 ] - [ -0.0002430200000000, 0.0001321700000000, 0.0003935200000000 ] - [ 0.0001470200000000, -0.0003554500000000, 0.0000176300000000 ] - [ 0.0000285300000000, -0.0000362000000000, 0.0002537600000000 ] - [ 0.0038967300000000, 0.0017123100000000, -0.0009739000000000 ] - [ 0.0000586400000000, 0.0002168700000000, 0.0006589800000000 ] - [ -0.0005434900000000, -0.0001751900000000, -0.0000979700000000 ] - [ -0.0000868800000000, -0.0000814600000000, 0.0000317700000000 ] - [ 0.0001049900000000, -0.0001664400000000, -0.0001831700000000 ] - [ -0.0000387000000000, -0.0002291400000000, 0.0000416900000000 ] - [ -0.0006190200000000, -0.0032045000000000, 0.0015059300000000 ] - [ -0.0000635600000000, 0.0002770700000000, 0.0002343700000000 ] - [ 0.0001970400000000, 0.0000369500000000, 0.0003327400000000 ] - [ -0.0002310800000000, 0.0002371000000000, 0.0000420100000000 ]- atom: 26 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001833900000000, 0.0001957500000000, 0.0002109700000000 ] - [ 0.0001432900000000, 0.0001400100000000, 0.0001168600000000 ] - [ -0.0189006200000000, -0.0171351100000000, 0.0136209800000000 ] - [ -0.0000980400000000, 0.0000612800000000, -0.0000569300000000 ] - [ -0.0003987000000000, -0.0002085100000000, 0.0001077200000000 ] - [ -0.0000456500000000, 0.0002873000000000, -0.0000119700000000 ] - [ -0.0002348200000000, 0.0002299700000000, 0.0003044800000000 ] - [ -0.0002511900000000, -0.0020286600000000, 0.0005520200000000 ] - [ -0.0001828900000000, 0.0003074900000000, 0.0002652000000000 ] - [ -0.0003295600000000, 0.0003574500000000, 0.0000490400000000 ] - [ -0.0000305800000000, 0.0000829400000000, -0.0000398300000000 ] - [ -0.0000524500000000, -0.0001853500000000, 0.0000335300000000 ] - [ -0.0000488000000000, 0.0001038600000000, -0.0001566600000000 ] - [ 0.0001437300000000, -0.0001052800000000, 0.0001862800000000 ] - [ 0.0001110900000000, 0.0003038800000000, 0.0001077600000000 ] - [ -0.0000263000000000, -0.0001519600000000, -0.0000780900000000 ] - [ -0.0000093900000000, 0.0002538000000000, 0.0000410000000000 ] - [ 0.0006555900000000, -0.0007414400000000, -0.0003007900000000 ] - [ -0.0000011900000000, 0.0000151800000000, -0.0000481200000000 ] - [ -0.0000564900000000, 0.0000020400000000, 0.0001381900000000 ] - [ 0.0000663700000000, 0.0001575500000000, 0.0000332700000000 ] - [ 0.0000384200000000, 0.0001136800000000, -0.0000273000000000 ] - [ -0.0036050600000000, -0.0021436500000000, 0.0038777200000000 ] - [ -0.0001870100000000, 0.0000275400000000, 0.0007703900000000 ] - [ -0.0013359600000000, -0.0017046600000000, -0.0013622000000000 ] - [ 0.0247266800000000, 0.1084223800000000, -0.0032925400000000 ] - [ 0.0000662600000000, -0.0000710300000000, 0.0002637500000000 ] - [ -0.0154884700000000, -0.0464020600000000, -0.0258833000000000 ] - [ -0.0001097800000000, -0.0004014300000000, -0.0003456700000000 ] - [ -0.0003994900000000, 0.0003226500000000, 0.0001149000000000 ] - [ -0.0001127800000000, 0.0003885000000000, -0.0003486900000000 ] - [ 0.0001018100000000, -0.0010749000000000, -0.0008299300000000 ] - [ -0.0000859400000000, -0.0002780600000000, -0.0001204600000000 ] - [ 0.0001150700000000, 0.0001608100000000, -0.0001655100000000 ] - [ -0.0000973300000000, 0.0002011800000000, -0.0001434100000000 ] - [ -0.0000671800000000, -0.0000527500000000, -0.0002231300000000 ] - [ -0.0016179600000000, -0.0076889900000000, -0.0012431200000000 ] - [ -0.0000205800000000, 0.0003065500000000, -0.0001526200000000 ] - [ -0.0000261100000000, -0.0001374200000000, 0.0000141100000000 ] - [ 0.0001002900000000, 0.0001190500000000, -0.0001074900000000 ] - [ 0.0067004300000000, 0.0003072400000000, -0.0008036300000000 ] - [ -0.0000346700000000, 0.0001497000000000, -0.0001309800000000 ] - [ 0.0021939900000000, -0.0001695600000000, 0.0008724200000000 ] - [ 0.0017769000000000, -0.0013826500000000, 0.0003759000000000 ] - [ 0.0000525200000000, -0.0002036800000000, 0.0002926500000000 ] - [ -0.0000390900000000, -0.0002182700000000, -0.0001815000000000 ] - [ 0.0000127500000000, 0.0000340900000000, 0.0001205200000000 ] - [ 0.0105022700000000, -0.0236116700000000, 0.0148560600000000 ] - [ -0.0001484400000000, -0.0003315800000000, -0.0001495100000000 ] - [ -0.0001495900000000, -0.0001660200000000, -0.0001822300000000 ] - [ 0.0000956100000000, 0.0001390600000000, -0.0001528600000000 ] - [ -0.0010057400000000, 0.0003611000000000, 0.0001906700000000 ] - [ -0.0001155200000000, 0.0001886500000000, -0.0002390000000000 ] - [ -0.0001764400000000, 0.0001732200000000, 0.0001187000000000 ] - [ 0.0007379400000000, 0.0000575700000000, -0.0001134100000000 ] - [ 0.0000911300000000, -0.0000477400000000, 0.0001076600000000 ] - [ -0.0000576700000000, -0.0000051300000000, -0.0002328500000000 ] - [ -0.0000979400000000, -0.0001651500000000, 0.0001189400000000 ] - [ 0.0001729100000000, 0.0001743700000000, 0.0000844400000000 ] - [ -0.0001492300000000, -0.0001644000000000, 0.0002116800000000 ] - [ -0.0001977400000000, -0.0006800200000000, 0.0001641100000000 ] - [ -0.0001238800000000, 0.0001410800000000, 0.0000153500000000 ] - [ -0.0000235900000000, 0.0003256300000000, 0.0000039800000000 ] - [ 0.0001231500000000, -0.0001092200000000, -0.0003095100000000 ] - [ -0.0000955200000000, -0.0000445800000000, -0.0001759900000000 ] - [ -0.0005261300000000, 0.0003454400000000, 0.0002782200000000 ] - [ 0.0001693900000000, 0.0003246900000000, 0.0001683800000000 ] - [ 0.0001205700000000, 0.0001347100000000, -0.0001171600000000 ] - [ 0.0000569600000000, 0.0001948900000000, 0.0000306700000000 ] - [ 0.0003349700000000, -0.0092467300000000, 0.0011887600000000 ] - [ 0.0002163900000000, 0.0004116700000000, -0.0001874200000000 ] - [ 0.0000346400000000, 0.0001075300000000, -0.0001951400000000 ] - [ -0.0000349900000000, -0.0002041400000000, 0.0000414900000000 ] - [ 0.0000919700000000, 0.0000395100000000, 0.0002213900000000 ] - [ -0.0039437200000000, -0.0016501300000000, 0.0005215500000000 ] - [ -0.0001539100000000, 0.0001661700000000, -0.0007413000000000 ] - [ 0.0004280600000000, -0.0003852100000000, 0.0000431300000000 ] - [ -0.0001239400000000, -0.0001565400000000, 0.0001700300000000 ] - [ -0.0001710300000000, -0.0001479800000000, -0.0000903500000000 ] - [ -0.0000615200000000, -0.0001617400000000, -0.0001181800000000 ] - [ 0.0008975600000000, 0.0029577300000000, -0.0017438100000000 ] - [ 0.0001318900000000, -0.0000383600000000, 0.0000821000000000 ] - [ 0.0000152000000000, 0.0003634500000000, 0.0001581500000000 ] - [ -0.0001585900000000, 0.0001433800000000, -0.0004425400000000 ]- atom: 26 displacement: [ -0.0027030911372206, 0.0000000000000000, 0.0096277358866911 ] forces: - [ 0.0002000300000000, 0.0001997800000000, 0.0002439800000000 ] - [ 0.0001473700000000, 0.0001313300000000, 0.0000920100000000 ] - [ -0.0527307100000000, -0.0120202100000000, 0.0546169300000000 ] - [ 0.0002895500000000, 0.0000321700000000, -0.0000198700000000 ] - [ 0.0000300000000000, -0.0005651800000000, 0.0012096800000000 ] - [ -0.0000560000000000, 0.0002899600000000, -0.0000171600000000 ] - [ 0.0002380400000000, 0.0000103400000000, 0.0001381600000000 ] - [ -0.0016995800000000, -0.0011543600000000, 0.0034374000000000 ] - [ -0.0000175000000000, 0.0001458400000000, 0.0001843900000000 ] - [ -0.0002268500000000, 0.0001060700000000, 0.0002665900000000 ] - [ -0.0006420300000000, 0.0001515100000000, -0.0004708300000000 ] - [ -0.0001256200000000, -0.0002947100000000, -0.0000565400000000 ] - [ -0.0000548800000000, 0.0001033200000000, -0.0001592300000000 ] - [ 0.0002005500000000, -0.0000067600000000, 0.0003807500000000 ] - [ 0.0001153400000000, 0.0002923400000000, 0.0000915800000000 ] - [ -0.0000304600000000, -0.0000133000000000, -0.0001853600000000 ] - [ 0.0000562200000000, 0.0005275500000000, -0.0003750400000000 ] - [ 0.0007498400000000, 0.0005266900000000, -0.0001939300000000 ] - [ 0.0000142600000000, 0.0000221900000000, -0.0000606900000000 ] - [ -0.0000348800000000, -0.0000088500000000, 0.0000716200000000 ] - [ 0.0000508600000000, 0.0001456400000000, 0.0000466400000000 ] - [ 0.0000384500000000, 0.0001168700000000, -0.0000288300000000 ] - [ 0.0037874600000000, -0.0016960800000000, -0.0050458700000000 ] - [ 0.0001665200000000, -0.0005861300000000, 0.0005896400000000 ] - [ -0.0004216900000000, 0.0010183100000000, 0.0027535600000000 ] - [ 0.0317779200000000, 0.0093848500000000, -0.1137935500000000 ] - [ 0.0001246300000000, -0.0000209300000000, 0.0003398000000000 ] - [ 0.0085047000000000, 0.0273689400000000, 0.0329492900000000 ] - [ -0.0003029900000000, -0.0002526300000000, -0.0003923100000000 ] - [ 0.0000245600000000, 0.0000725900000000, 0.0003434200000000 ] - [ 0.0001663100000000, -0.0001788900000000, -0.0001285400000000 ] - [ 0.0000419300000000, -0.0003319400000000, 0.0005437400000000 ] - [ 0.0001120800000000, -0.0002083800000000, -0.0000416400000000 ] - [ 0.0001244100000000, 0.0001580000000000, -0.0001845000000000 ] - [ -0.0001310200000000, 0.0002383800000000, -0.0001500200000000 ] - [ -0.0000486200000000, 0.0000666600000000, -0.0007894100000000 ] - [ 0.0017652100000000, 0.0022109500000000, 0.0015070200000000 ] - [ -0.0003361500000000, 0.0005764400000000, 0.0000568400000000 ] - [ -0.0000636300000000, -0.0000786400000000, 0.0000089800000000 ] - [ 0.0001025800000000, 0.0001312000000000, -0.0001108800000000 ] - [ 0.0024554200000000, 0.0005681500000000, 0.0007205900000000 ] - [ -0.0000442600000000, 0.0001503300000000, -0.0001135300000000 ] - [ -0.0011332500000000, 0.0009023900000000, 0.0001569600000000 ] - [ -0.0011985000000000, 0.0005334600000000, 0.0003746900000000 ] - [ -0.0000078600000000, -0.0002155700000000, 0.0001015500000000 ] - [ -0.0000193300000000, -0.0001323400000000, 0.0000326900000000 ] - [ 0.0000275500000000, 0.0000350500000000, 0.0001583700000000 ] - [ 0.0141119700000000, -0.0191189900000000, 0.0249771200000000 ] - [ -0.0001387200000000, -0.0003073200000000, -0.0001310400000000 ] - [ -0.0001633200000000, -0.0001411900000000, -0.0000527600000000 ] - [ 0.0000873100000000, 0.0001422100000000, -0.0001463900000000 ] - [ 0.0004482200000000, -0.0008259900000000, -0.0036117500000000 ] - [ -0.0001200200000000, 0.0001858500000000, -0.0002595800000000 ] - [ 0.0000019200000000, 0.0003747600000000, -0.0001985300000000 ] - [ 0.0003221400000000, -0.0000524400000000, -0.0002923900000000 ] - [ 0.0000427200000000, -0.0001408900000000, -0.0000057700000000 ] - [ -0.0000479700000000, 0.0000117400000000, -0.0002491400000000 ] - [ -0.0001134400000000, -0.0001735200000000, 0.0001525600000000 ] - [ 0.0001472900000000, 0.0001733900000000, 0.0000649000000000 ] - [ -0.0001922900000000, -0.0001037100000000, 0.0002144000000000 ] - [ -0.0003466200000000, -0.0005151200000000, 0.0002612800000000 ] - [ -0.0002357800000000, 0.0003008400000000, 0.0002496100000000 ] - [ 0.0000824900000000, 0.0000595200000000, 0.0000255300000000 ] - [ 0.0001025100000000, -0.0001796400000000, -0.0002828500000000 ] - [ -0.0000988100000000, -0.0000318300000000, -0.0002150800000000 ] - [ -0.0002037400000000, 0.0000987400000000, -0.0004238800000000 ] - [ 0.0001605000000000, 0.0003257300000000, 0.0001593100000000 ] - [ 0.0000964100000000, 0.0001504600000000, -0.0001357400000000 ] - [ 0.0000317700000000, 0.0001944600000000, 0.0000434500000000 ] - [ 0.0004845600000000, -0.0032186900000000, 0.0017200200000000 ] - [ 0.0002724600000000, 0.0003753200000000, -0.0001737200000000 ] - [ -0.0000202400000000, 0.0002916000000000, -0.0001491000000000 ] - [ 0.0000664100000000, -0.0003176200000000, -0.0000847700000000 ] - [ 0.0000299700000000, -0.0000312100000000, 0.0002295500000000 ] - [ -0.0015961100000000, -0.0049835600000000, -0.0062267000000000 ] - [ 0.0001845300000000, 0.0000337900000000, 0.0004797000000000 ] - [ 0.0000264600000000, -0.0007335700000000, 0.0006118400000000 ] - [ -0.0000982900000000, -0.0001642900000000, 0.0001909000000000 ] - [ 0.0005343800000000, 0.0001432600000000, 0.0004668700000000 ] - [ -0.0000615000000000, -0.0002069600000000, -0.0000343600000000 ] - [ -0.0055526600000000, -0.0005554400000000, 0.0036944700000000 ] - [ -0.0000018900000000, 0.0000097800000000, 0.0002211800000000 ] - [ 0.0001012100000000, 0.0002065800000000, 0.0003944800000000 ] - [ -0.0003298600000000, 0.0002715400000000, -0.0005827300000000 ]- atom: 26 displacement: [ 0.0027030911372206, 0.0000000000000000, -0.0096277358866911 ] forces: - [ 0.0001814900000000, 0.0001767000000000, 0.0001839400000000 ] - [ 0.0001705800000000, 0.0001358800000000, 0.0001358900000000 ] - [ 0.0503897400000000, 0.0107927900000000, -0.0534976400000000 ] - [ -0.0002204200000000, 0.0002866000000000, 0.0002632400000000 ] - [ -0.0000500700000000, 0.0005982800000000, -0.0011422100000000 ] - [ -0.0000500400000000, 0.0002772200000000, -0.0000079800000000 ] - [ -0.0004113400000000, 0.0002792600000000, 0.0001579800000000 ] - [ 0.0020128400000000, 0.0004790800000000, -0.0031034300000000 ] - [ -0.0002272700000000, 0.0001502900000000, 0.0000637800000000 ] - [ -0.0002714500000000, 0.0007058100000000, 0.0000848600000000 ] - [ 0.0006573400000000, -0.0000784600000000, 0.0002194400000000 ] - [ 0.0000326600000000, 0.0000034400000000, -0.0000196700000000 ] - [ -0.0000277900000000, 0.0001116700000000, -0.0001748400000000 ] - [ 0.0000419800000000, -0.0003800800000000, 0.0001168200000000 ] - [ 0.0001316800000000, 0.0002914400000000, 0.0001063700000000 ] - [ -0.0001081900000000, -0.0001710000000000, 0.0000553800000000 ] - [ 0.0000491300000000, 0.0000311500000000, 0.0004017000000000 ] - [ -0.0002563500000000, -0.0013289700000000, -0.0001540700000000 ] - [ 0.0000224400000000, 0.0000037500000000, -0.0000320000000000 ] - [ -0.0000021800000000, -0.0000162300000000, 0.0000210700000000 ] - [ 0.0000429500000000, 0.0001457200000000, 0.0000294700000000 ] - [ 0.0000212000000000, 0.0001085200000000, -0.0000183100000000 ] - [ -0.0036487400000000, 0.0013674000000000, 0.0051376200000000 ] - [ -0.0000554000000000, 0.0005833500000000, -0.0001236300000000 ] - [ 0.0003273100000000, -0.0012301000000000, -0.0030901900000000 ] - [ -0.0292254500000000, -0.0095601400000000, 0.1119251700000000 ] - [ -0.0000420200000000, -0.0001926400000000, -0.0000062000000000 ] - [ -0.0080196600000000, -0.0275509200000000, -0.0325310100000000 ] - [ -0.0000797300000000, -0.0001254400000000, -0.0000347000000000 ] - [ -0.0002669800000000, -0.0003638300000000, -0.0001074600000000 ] - [ -0.0004778300000000, 0.0004506300000000, -0.0001008800000000 ] - [ 0.0000236600000000, 0.0001111100000000, -0.0005850900000000 ] - [ -0.0003582000000000, -0.0003788800000000, -0.0001595100000000 ] - [ 0.0001126500000000, 0.0001507300000000, -0.0001665400000000 ] - [ 0.0000377300000000, 0.0000531700000000, 0.0000720500000000 ] - [ -0.0003188300000000, 0.0002943800000000, 0.0006248200000000 ] - [ -0.0013364300000000, -0.0026235300000000, -0.0012929400000000 ] - [ 0.0002800500000000, -0.0003603100000000, -0.0000125000000000 ] - [ 0.0000041300000000, -0.0001479000000000, 0.0000371100000000 ] - [ 0.0001269700000000, 0.0001203700000000, -0.0001136400000000 ] - [ -0.0020143600000000, -0.0009495700000000, -0.0002918400000000 ] - [ -0.0000269100000000, 0.0001718200000000, -0.0001284000000000 ] - [ 0.0012035300000000, -0.0007010700000000, -0.0000334100000000 ] - [ 0.0014268800000000, -0.0007903800000000, -0.0006225300000000 ] - [ 0.0000798400000000, -0.0001080900000000, 0.0001398000000000 ] - [ -0.0003447100000000, -0.0002298400000000, -0.0002027800000000 ] - [ -0.0000203900000000, 0.0000393900000000, 0.0000964600000000 ] - [ -0.0143023100000000, 0.0193433800000000, -0.0250939600000000 ] - [ -0.0001888800000000, -0.0003497300000000, -0.0002004500000000 ] - [ -0.0001534200000000, -0.0001258700000000, -0.0001752200000000 ] - [ 0.0000826300000000, 0.0001395200000000, -0.0001467500000000 ] - [ -0.0002778100000000, 0.0005500800000000, 0.0033126700000000 ] - [ -0.0001220300000000, 0.0002022600000000, -0.0002375400000000 ] - [ -0.0003325900000000, 0.0002828800000000, -0.0001306000000000 ] - [ -0.0002888600000000, 0.0000158200000000, 0.0002167900000000 ] - [ 0.0000940900000000, -0.0000438300000000, 0.0001366400000000 ] - [ -0.0000866100000000, -0.0000263400000000, -0.0002156400000000 ] - [ -0.0000565500000000, -0.0001084600000000, 0.0001397700000000 ] - [ 0.0002228300000000, 0.0001886500000000, 0.0001079000000000 ] - [ -0.0000449500000000, -0.0002045100000000, 0.0001366300000000 ] - [ -0.0001487600000000, -0.0002936000000000, 0.0000928500000000 ] - [ -0.0000014200000000, 0.0000098400000000, 0.0000997100000000 ] - [ -0.0003266800000000, 0.0005278900000000, -0.0002257100000000 ] - [ 0.0000087100000000, -0.0002262300000000, 0.0003592100000000 ] - [ 0.0000879900000000, -0.0000431400000000, -0.0000412800000000 ] - [ 0.0000701800000000, 0.0000830800000000, 0.0002861700000000 ] - [ 0.0001679300000000, 0.0003320000000000, 0.0001725800000000 ] - [ 0.0001473200000000, 0.0001412200000000, -0.0001083800000000 ] - [ 0.0000727600000000, 0.0002087300000000, 0.0000370200000000 ] - [ -0.0005101500000000, 0.0031002300000000, -0.0015320600000000 ] - [ 0.0002252600000000, 0.0004360400000000, -0.0001785400000000 ] - [ -0.0002117600000000, -0.0000448900000000, 0.0003790900000000 ] - [ 0.0000367700000000, -0.0002505200000000, 0.0001078200000000 ] - [ 0.0001037700000000, 0.0000460400000000, 0.0002342700000000 ] - [ 0.0014771300000000, 0.0049805000000000, 0.0057556200000000 ] - [ -0.0002931700000000, 0.0003632900000000, -0.0005702100000000 ] - [ -0.0001257500000000, 0.0001573100000000, -0.0006255500000000 ] - [ -0.0001319900000000, -0.0000874500000000, 0.0000345300000000 ] - [ -0.0005813100000000, -0.0004662900000000, -0.0006825200000000 ] - [ -0.0000422100000000, -0.0001952600000000, -0.0000459900000000 ] - [ 0.0057372900000000, 0.0002342900000000, -0.0038795600000000 ] - [ 0.0000872500000000, 0.0002025600000000, 0.0001123500000000 ] - [ 0.0001393300000000, 0.0001849500000000, 0.0001012700000000 ] - [ -0.0000500800000000, 0.0001030200000000, 0.0001475000000000 ]- atom: 36 displacement: [ 0.0099998398488412, 0.0000000000000000, -0.0000565950309369 ] forces: - [ 0.0000232100000000, 0.0002664000000000, 0.0002871000000000 ] - [ 0.0002695100000000, 0.0000034200000000, 0.0003140600000000 ] - [ -0.0000419300000000, -0.0003391200000000, -0.0001734600000000 ] - [ 0.0005442300000000, 0.0001638500000000, -0.0001595100000000 ] - [ 0.0012615000000000, 0.0007776800000000, -0.0040172400000000 ] - [ -0.0000296100000000, 0.0002284900000000, -0.0000345600000000 ] - [ 0.0011062600000000, -0.0001305700000000, -0.0003476800000000 ] - [ 0.0003040900000000, -0.0002758300000000, 0.0002342500000000 ] - [ -0.0002069400000000, 0.0017996200000000, 0.0008610800000000 ] - [ 0.0000142100000000, 0.0007566100000000, -0.0002062500000000 ] - [ 0.0094541100000000, 0.0019633700000000, 0.0101446900000000 ] - [ -0.0000400000000000, -0.0001431900000000, -0.0000194700000000 ] - [ 0.0000304300000000, 0.0000621800000000, -0.0000298300000000 ] - [ 0.0001216900000000, -0.0002094100000000, 0.0002551800000000 ] - [ 0.0002874800000000, 0.0000173300000000, -0.0002348100000000 ] - [ 0.0003982700000000, 0.0000751300000000, -0.0009678200000000 ] - [ 0.0005174100000000, 0.0004039800000000, -0.0002092600000000 ] - [ 0.0004843100000000, -0.0004528200000000, -0.0003816900000000 ] - [ -0.0000838200000000, -0.0000189800000000, 0.0003759000000000 ] - [ -0.0000056200000000, 0.0000471800000000, 0.0000287100000000 ] - [ -0.0000036900000000, 0.0001083900000000, -0.0000631200000000 ] - [ 0.0000934000000000, -0.0000241800000000, -0.0001884200000000 ] - [ -0.0000729500000000, -0.0002225400000000, 0.0000944600000000 ] - [ 0.0114441800000000, -0.0036422400000000, -0.0030755400000000 ] - [ 0.0000274800000000, -0.0002441400000000, 0.0001160200000000 ] - [ 0.0000802800000000, -0.0002626500000000, -0.0000422000000000 ] - [ 0.0000494300000000, -0.0001021900000000, 0.0001392200000000 ] - [ 0.0000837700000000, -0.0003659800000000, 0.0000743800000000 ] - [ -0.0002202600000000, -0.0002161200000000, -0.0002121600000000 ] - [ -0.0001522800000000, -0.0001118400000000, 0.0000674000000000 ] - [ 0.0007265600000000, 0.0019387300000000, 0.0030601100000000 ] - [ 0.0000477800000000, 0.0002211800000000, 0.0000996400000000 ] - [ -0.0001248100000000, -0.0002840300000000, -0.0001214600000000 ] - [ 0.0000439900000000, 0.0002914200000000, -0.0000285000000000 ] - [ 0.0003632900000000, -0.0001053600000000, -0.0007185900000000 ] - [ -0.1016955400000000, 0.0059563200000000, 0.0031949300000000 ] - [ 0.0001372800000000, -0.0002906400000000, 0.0000848900000000 ] - [ 0.0014542800000000, -0.0001460200000000, -0.0064235300000000 ] - [ -0.0000248700000000, -0.0001265400000000, 0.0000333400000000 ] - [ 0.0003622600000000, 0.0001269100000000, -0.0003139600000000 ] - [ 0.0001574400000000, -0.0001174100000000, -0.0006369700000000 ] - [ -0.0000453400000000, 0.0002303400000000, -0.0002378900000000 ] - [ -0.0000452300000000, 0.0001003200000000, -0.0001259400000000 ] - [ 0.0001023700000000, -0.0000998000000000, -0.0001815500000000 ] - [ 0.0000083700000000, -0.0001647600000000, 0.0001541200000000 ] - [ -0.0001762500000000, -0.0002028000000000, -0.0000795000000000 ] - [ -0.0001301700000000, 0.0000038600000000, 0.0002142400000000 ] - [ 0.0007857600000000, 0.0001065700000000, 0.0006221100000000 ] - [ -0.0001500900000000, -0.0003344400000000, -0.0001776800000000 ] - [ -0.0000472700000000, -0.0001254900000000, -0.0001653700000000 ] - [ 0.0001689300000000, 0.0000550400000000, -0.0000991200000000 ] - [ 0.0001152500000000, -0.0000494600000000, -0.0001194200000000 ] - [ -0.0000994700000000, 0.0002648900000000, -0.0000445200000000 ] - [ 0.0055709500000000, 0.0019930100000000, -0.0019802500000000 ] - [ 0.0006923200000000, 0.0005560500000000, -0.0004364700000000 ] - [ 0.0001806100000000, -0.0000670300000000, 0.0000384800000000 ] - [ 0.0000768500000000, 0.0000651900000000, -0.0002808700000000 ] - [ -0.0000722900000000, -0.0001513000000000, 0.0001524900000000 ] - [ 0.0001912800000000, 0.0003548700000000, -0.0006781200000000 ] - [ -0.0001365100000000, -0.0001547900000000, 0.0001318900000000 ] - [ -0.0002206500000000, -0.0004056000000000, 0.0001752200000000 ] - [ -0.0025749500000000, 0.0019611200000000, 0.0010936300000000 ] - [ 0.0383823200000000, -0.0265663800000000, -0.0021664500000000 ] - [ 0.0002059400000000, -0.0003139800000000, 0.0000364800000000 ] - [ -0.0000107100000000, -0.0000257000000000, -0.0001277500000000 ] - [ 0.0000616300000000, 0.0001114500000000, -0.0000615400000000 ] - [ 0.0000673300000000, 0.0003858800000000, 0.0001049800000000 ] - [ 0.0002006900000000, 0.0000282900000000, -0.0001483700000000 ] - [ 0.0000251400000000, 0.0002156400000000, 0.0000850200000000 ] - [ 0.0001420100000000, 0.0002476000000000, 0.0002725900000000 ] - [ 0.0002763400000000, 0.0005174700000000, -0.0002247000000000 ] - [ 0.0315083800000000, 0.0146376500000000, 0.0014392300000000 ] - [ 0.0000077800000000, -0.0003022500000000, 0.0000052900000000 ] - [ 0.0000578100000000, 0.0000170400000000, 0.0001820200000000 ] - [ 0.0000396300000000, 0.0000118000000000, -0.0006389100000000 ] - [ 0.0002501800000000, 0.0001384100000000, 0.0013433800000000 ] - [ -0.0003469400000000, -0.0004648100000000, 0.0003377300000000 ] - [ -0.0001256900000000, -0.0001286600000000, 0.0001315900000000 ] - [ -0.0001341400000000, -0.0002128700000000, -0.0002173200000000 ] - [ -0.0000483400000000, -0.0001981700000000, -0.0000403300000000 ] - [ 0.0005119600000000, -0.0001067600000000, 0.0000397900000000 ] - [ -0.0000130000000000, 0.0001075400000000, -0.0000218700000000 ] - [ -0.0012898300000000, 0.0002821000000000, -0.0001133300000000 ] - [ -0.0011487900000000, 0.0003065800000000, 0.0009476100000000 ]- atom: 36 displacement: [ -0.0099998398488412, 0.0000000000000000, 0.0000565950309369 ] forces: - [ 0.0003615900000000, 0.0001117900000000, 0.0001274700000000 ] - [ 0.0000385200000000, 0.0002593700000000, -0.0000766400000000 ] - [ -0.0001870500000000, -0.0000559700000000, -0.0003163500000000 ] - [ -0.0004698000000000, 0.0001444200000000, 0.0003989400000000 ] - [ -0.0012819000000000, -0.0007470300000000, 0.0041095800000000 ] - [ -0.0000810200000000, 0.0003326200000000, -0.0000035400000000 ] - [ -0.0013095000000000, 0.0004069000000000, 0.0006525900000000 ] - [ 0.0000295700000000, -0.0003857700000000, 0.0000996300000000 ] - [ -0.0000523000000000, -0.0015166400000000, -0.0006036900000000 ] - [ -0.0004984200000000, 0.0000587000000000, 0.0005538800000000 ] - [ -0.0094519400000000, -0.0018599000000000, -0.0106119900000000 ] - [ -0.0000667700000000, -0.0001598100000000, -0.0000485600000000 ] - [ -0.0001073700000000, 0.0001635300000000, -0.0002914200000000 ] - [ 0.0001085300000000, -0.0001846300000000, 0.0002352700000000 ] - [ -0.0000426100000000, 0.0005678600000000, 0.0004406600000000 ] - [ -0.0005315300000000, -0.0002628700000000, 0.0008129300000000 ] - [ -0.0004025600000000, 0.0001551200000000, 0.0002469300000000 ] - [ -0.0000009800000000, -0.0003565300000000, 0.0000401200000000 ] - [ 0.0001206800000000, 0.0000433200000000, -0.0004729500000000 ] - [ -0.0000291000000000, -0.0000718400000000, 0.0000603400000000 ] - [ 0.0001112400000000, 0.0001966200000000, 0.0001311600000000 ] - [ -0.0000310900000000, 0.0002521400000000, 0.0001322800000000 ] - [ 0.0001820200000000, -0.0000798400000000, -0.0000283100000000 ] - [ -0.0114440000000000, 0.0037166200000000, 0.0036216300000000 ] - [ -0.0001049600000000, 0.0000191100000000, -0.0004402700000000 ] - [ 0.0001533700000000, -0.0000489800000000, -0.0003058100000000 ] - [ 0.0000267300000000, -0.0001235200000000, 0.0001835300000000 ] - [ 0.0001674600000000, -0.0002270200000000, 0.0001273000000000 ] - [ -0.0001639600000000, -0.0001621300000000, -0.0002059100000000 ] - [ -0.0000901100000000, -0.0001672100000000, 0.0001680800000000 ] - [ -0.0010645000000000, -0.0017038100000000, -0.0032619600000000 ] - [ 0.0000130500000000, -0.0004448000000000, -0.0001564400000000 ] - [ -0.0001267800000000, -0.0003088600000000, -0.0000788400000000 ] - [ 0.0001875700000000, 0.0000229800000000, -0.0003197000000000 ] - [ -0.0004776200000000, 0.0004030000000000, 0.0006547300000000 ] - [ 0.1031979100000000, -0.0056065200000000, -0.0031999600000000 ] - [ 0.0002179600000000, -0.0000651100000000, 0.0000988500000000 ] - [ -0.0015458400000000, 0.0003514800000000, 0.0065028800000000 ] - [ -0.0000375300000000, -0.0000988900000000, 0.0000223200000000 ] - [ -0.0001443800000000, 0.0001221000000000, 0.0001012700000000 ] - [ 0.0002198500000000, -0.0002602900000000, 0.0010531200000000 ] - [ -0.0000252000000000, 0.0000883600000000, -0.0000068900000000 ] - [ 0.0001899100000000, 0.0000717800000000, 0.0002708600000000 ] - [ 0.0001210300000000, -0.0001483700000000, -0.0000363800000000 ] - [ 0.0000631500000000, -0.0001543700000000, 0.0000920600000000 ] - [ -0.0001820000000000, -0.0001520600000000, -0.0001033500000000 ] - [ 0.0001500400000000, 0.0000794800000000, 0.0000261600000000 ] - [ -0.0004642900000000, -0.0003758900000000, -0.0003884700000000 ] - [ -0.0001844200000000, -0.0003262800000000, -0.0001564200000000 ] - [ -0.0002612300000000, -0.0001390700000000, -0.0000714000000000 ] - [ 0.0000086700000000, 0.0002253400000000, -0.0001903700000000 ] - [ 0.0000588100000000, -0.0002330000000000, -0.0001730400000000 ] - [ -0.0001307100000000, 0.0001266400000000, -0.0004445400000000 ] - [ -0.0060164200000000, -0.0014069800000000, 0.0016615200000000 ] - [ -0.0006555400000000, -0.0005779700000000, 0.0003470700000000 ] - [ -0.0000337200000000, -0.0001065700000000, 0.0001026000000000 ] - [ -0.0002061400000000, -0.0000783900000000, -0.0001871000000000 ] - [ -0.0001028300000000, -0.0001282700000000, 0.0001375100000000 ] - [ 0.0001420900000000, -0.0000057000000000, 0.0008709700000000 ] - [ -0.0000952100000000, -0.0001560400000000, 0.0002170300000000 ] - [ -0.0002642500000000, -0.0004052100000000, 0.0001682400000000 ] - [ 0.0023298700000000, -0.0016690200000000, -0.0007395600000000 ] - [ -0.0392228600000000, 0.0282259400000000, 0.0018779000000000 ] - [ -0.0001021200000000, -0.0000829800000000, 0.0000446900000000 ] - [ 0.0000028800000000, -0.0000558200000000, -0.0001149100000000 ] - [ -0.0002089100000000, 0.0000624300000000, -0.0000820500000000 ] - [ 0.0002647900000000, 0.0002731100000000, 0.0002271300000000 ] - [ 0.0000435700000000, 0.0002486700000000, -0.0000827300000000 ] - [ 0.0000778800000000, 0.0001828100000000, -0.0000007200000000 ] - [ -0.0001359800000000, -0.0003264700000000, -0.0000283000000000 ] - [ 0.0002063900000000, 0.0002950800000000, -0.0001176000000000 ] - [ -0.0326173900000000, -0.0154061300000000, -0.0012820300000000 ] - [ 0.0001017000000000, -0.0002584700000000, 0.0000319100000000 ] - [ 0.0000748700000000, -0.0000026500000000, 0.0002868200000000 ] - [ -0.0001683900000000, 0.0000014600000000, 0.0001713500000000 ] - [ -0.0003852500000000, 0.0002727600000000, -0.0014188000000000 ] - [ 0.0002338600000000, -0.0000907300000000, -0.0003757400000000 ] - [ -0.0000979100000000, -0.0001186300000000, 0.0000860000000000 ] - [ 0.0000604900000000, -0.0001053100000000, -0.0000321800000000 ] - [ -0.0000554700000000, -0.0001998200000000, -0.0000432000000000 ] - [ -0.0002662300000000, -0.0001731800000000, -0.0002776500000000 ] - [ 0.0000889500000000, 0.0001277300000000, 0.0003428300000000 ] - [ 0.0015083600000000, 0.0001099900000000, 0.0005910700000000 ] - [ 0.0007627100000000, 0.0000621000000000, -0.0013534000000000 ]- atom: 36 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002814500000000, 0.0000869300000000, 0.0001637400000000 ] - [ 0.0001557400000000, 0.0001612600000000, 0.0000937700000000 ] - [ -0.0001499100000000, -0.0001328200000000, -0.0005804200000000 ] - [ 0.0002086500000000, 0.0000381300000000, -0.0003051900000000 ] - [ -0.0034655900000000, 0.0026132100000000, -0.0006078300000000 ] - [ -0.0000850000000000, 0.0002962900000000, 0.0000360600000000 ] - [ -0.0017262800000000, 0.0012687800000000, 0.0012877500000000 ] - [ 0.0002463400000000, -0.0003040300000000, 0.0002553800000000 ] - [ 0.0007396100000000, 0.0007192000000000, 0.0002149300000000 ] - [ 0.0004924500000000, 0.0013152300000000, 0.0005234100000000 ] - [ 0.0026016100000000, 0.0089992500000000, -0.0077886200000000 ] - [ -0.0000565900000000, -0.0001611800000000, -0.0000361300000000 ] - [ -0.0000140600000000, 0.0001205300000000, -0.0001962800000000 ] - [ 0.0001124900000000, -0.0001836400000000, 0.0002527200000000 ] - [ 0.0002485500000000, 0.0002222200000000, 0.0000285400000000 ] - [ 0.0005158600000000, 0.0008541300000000, -0.0001663200000000 ] - [ 0.0005108900000000, 0.0003064200000000, -0.0001904900000000 ] - [ 0.0002208100000000, -0.0000696400000000, -0.0000749700000000 ] - [ 0.0000193600000000, 0.0000336400000000, -0.0000348500000000 ] - [ -0.0000283700000000, -0.0000112000000000, 0.0000366500000000 ] - [ 0.0000785000000000, 0.0001959500000000, 0.0000928100000000 ] - [ -0.0000192900000000, 0.0001166600000000, 0.0000184200000000 ] - [ 0.0000637600000000, -0.0003224300000000, 0.0000942600000000 ] - [ -0.0061315800000000, 0.0016009800000000, 0.0060463700000000 ] - [ -0.0001490300000000, -0.0000345000000000, -0.0003344300000000 ] - [ 0.0003275400000000, 0.0000656200000000, -0.0002266900000000 ] - [ 0.0000459100000000, -0.0001077600000000, 0.0001601700000000 ] - [ 0.0002394400000000, -0.0003877400000000, 0.0002440800000000 ] - [ -0.0002147200000000, -0.0001811600000000, -0.0002055100000000 ] - [ -0.0000847000000000, -0.0001395400000000, 0.0001425400000000 ] - [ 0.0002404900000000, 0.0029251600000000, 0.0045840100000000 ] - [ 0.0003685500000000, -0.0000020900000000, -0.0001014100000000 ] - [ -0.0001356300000000, -0.0003093400000000, -0.0001058800000000 ] - [ 0.0001111100000000, 0.0002039600000000, -0.0002228200000000 ] - [ 0.0000691000000000, 0.0001390700000000, 0.0001338700000000 ] - [ 0.0069812300000000, -0.0973858600000000, 0.0027729900000000 ] - [ 0.0000644800000000, -0.0001328400000000, 0.0000531300000000 ] - [ 0.0033431900000000, 0.0012869000000000, -0.0031530100000000 ] - [ -0.0000421800000000, -0.0001026500000000, 0.0000372800000000 ] - [ 0.0001876000000000, 0.0000849800000000, -0.0002111500000000 ] - [ 0.0004345500000000, -0.0001640600000000, 0.0005064700000000 ] - [ 0.0000099900000000, 0.0000835300000000, -0.0000526000000000 ] - [ 0.0001246100000000, -0.0000040300000000, 0.0002841200000000 ] - [ 0.0001201900000000, -0.0001788200000000, -0.0001498700000000 ] - [ 0.0000424800000000, -0.0001536500000000, 0.0001251800000000 ] - [ -0.0001530900000000, -0.0001575000000000, -0.0001231300000000 ] - [ 0.0000625900000000, -0.0000053000000000, 0.0001538700000000 ] - [ -0.0007063700000000, -0.0000854700000000, -0.0001254500000000 ] - [ -0.0001731200000000, -0.0003408400000000, -0.0001605600000000 ] - [ -0.0001317300000000, -0.0001388000000000, -0.0000990400000000 ] - [ 0.0001265600000000, 0.0001176500000000, -0.0000956700000000 ] - [ 0.0000276300000000, -0.0000529300000000, -0.0002842200000000 ] - [ -0.0001099100000000, 0.0002219700000000, -0.0003814900000000 ] - [ 0.0034193800000000, -0.0047600400000000, -0.0008663800000000 ] - [ 0.0004538800000000, -0.0004465100000000, -0.0003501100000000 ] - [ -0.0000542900000000, 0.0000748300000000, 0.0002558100000000 ] - [ 0.0000824700000000, 0.0000605100000000, -0.0003216100000000 ] - [ -0.0000944000000000, -0.0001513500000000, 0.0001403600000000 ] - [ -0.0000106600000000, 0.0005548300000000, -0.0000947000000000 ] - [ -0.0001171600000000, -0.0001609800000000, 0.0001782100000000 ] - [ -0.0002670700000000, -0.0003916900000000, 0.0001695300000000 ] - [ -0.0001699700000000, 0.0078083000000000, 0.0026731900000000 ] - [ -0.0315101400000000, 0.0423253300000000, 0.0018264300000000 ] - [ -0.0000180700000000, 0.0001161900000000, -0.0003388800000000 ] - [ 0.0000024800000000, -0.0000663400000000, -0.0001017400000000 ] - [ -0.0001477000000000, 0.0001369600000000, -0.0000707000000000 ] - [ 0.0000918700000000, 0.0003980800000000, 0.0001238200000000 ] - [ -0.0000553900000000, 0.0002483600000000, -0.0002213900000000 ] - [ 0.0000070600000000, 0.0002477900000000, 0.0000541600000000 ] - [ -0.0001185000000000, -0.0002837700000000, 0.0001562100000000 ] - [ 0.0002278300000000, 0.0002698100000000, -0.0002646500000000 ] - [ 0.0236420300000000, 0.0321895700000000, -0.0058775500000000 ] - [ 0.0000696600000000, -0.0002843500000000, 0.0000258700000000 ] - [ 0.0000579700000000, 0.0000047600000000, 0.0002422300000000 ] - [ -0.0003709900000000, 0.0002816900000000, -0.0003365600000000 ] - [ -0.0011931400000000, 0.0008425300000000, -0.0000044200000000 ] - [ 0.0001535200000000, -0.0005911700000000, 0.0003890900000000 ] - [ -0.0000962800000000, -0.0001195100000000, 0.0001021300000000 ] - [ 0.0001243500000000, -0.0002563000000000, 0.0000006400000000 ] - [ -0.0000533900000000, -0.0001920100000000, -0.0000456300000000 ] - [ -0.0002549000000000, 0.0000096200000000, -0.0001291900000000 ] - [ 0.0006107800000000, 0.0002513800000000, 0.0001192000000000 ] - [ -0.0003013800000000, 0.0000853600000000, 0.0005655500000000 ] - [ 0.0000439900000000, -0.0010297000000000, -0.0003274100000000 ]- atom: 36 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001050600000000, 0.0002886200000000, 0.0002441000000000 ] - [ 0.0001512400000000, 0.0001021500000000, 0.0001371500000000 ] - [ -0.0000752200000000, -0.0002636600000000, 0.0000844700000000 ] - [ -0.0001353600000000, 0.0002694100000000, 0.0005625100000000 ] - [ 0.0035096200000000, -0.0025631300000000, 0.0006233900000000 ] - [ -0.0000250500000000, 0.0002654000000000, -0.0000796700000000 ] - [ 0.0015467100000000, -0.0009777900000000, -0.0009921800000000 ] - [ 0.0000936500000000, -0.0003578000000000, 0.0000815600000000 ] - [ -0.0009588300000000, -0.0004515900000000, -0.0000011000000000 ] - [ -0.0009577700000000, -0.0004983300000000, -0.0001921800000000 ] - [ -0.0026679400000000, -0.0088691400000000, 0.0073953900000000 ] - [ -0.0000526000000000, -0.0001442600000000, -0.0000345100000000 ] - [ -0.0000612800000000, 0.0001065500000000, -0.0001277500000000 ] - [ 0.0001151800000000, -0.0002114400000000, 0.0002418600000000 ] - [ 0.0000061200000000, 0.0003737000000000, 0.0001780200000000 ] - [ -0.0006440100000000, -0.0010071600000000, 0.0000284400000000 ] - [ -0.0003992200000000, 0.0002579000000000, 0.0002308000000000 ] - [ 0.0002645800000000, -0.0007395600000000, -0.0002674100000000 ] - [ 0.0000182200000000, -0.0000085900000000, -0.0000689700000000 ] - [ -0.0000078400000000, -0.0000148300000000, 0.0000623200000000 ] - [ 0.0000304000000000, 0.0001108400000000, -0.0000215200000000 ] - [ 0.0000803100000000, 0.0001055300000000, -0.0000809900000000 ] - [ 0.0000450200000000, 0.0000162600000000, -0.0000251700000000 ] - [ 0.0062150000000000, -0.0016334600000000, -0.0055545000000000 ] - [ 0.0000723800000000, -0.0001930700000000, 0.0000105900000000 ] - [ -0.0000932800000000, -0.0003803500000000, -0.0001139400000000 ] - [ 0.0000300500000000, -0.0001184700000000, 0.0001657800000000 ] - [ 0.0000121500000000, -0.0002096300000000, -0.0000418700000000 ] - [ -0.0001708200000000, -0.0001957500000000, -0.0002062000000000 ] - [ -0.0001570800000000, -0.0001371600000000, 0.0000905600000000 ] - [ -0.0005639600000000, -0.0026473100000000, -0.0047452100000000 ] - [ -0.0003071700000000, -0.0002159900000000, 0.0000396600000000 ] - [ -0.0001174000000000, -0.0002896000000000, -0.0000965500000000 ] - [ 0.0001218100000000, 0.0001095700000000, -0.0001241900000000 ] - [ -0.0001832900000000, 0.0001696400000000, -0.0002023500000000 ] - [ -0.0046237300000000, 0.0967735000000000, -0.0028089400000000 ] - [ 0.0002910100000000, -0.0002183200000000, 0.0001350300000000 ] - [ -0.0034727200000000, -0.0011289400000000, 0.0031598200000000 ] - [ -0.0000179400000000, -0.0001179000000000, 0.0000241800000000 ] - [ 0.0000303300000000, 0.0001586200000000, -0.0000032700000000 ] - [ -0.0000495300000000, -0.0002103400000000, -0.0000964400000000 ] - [ -0.0000819300000000, 0.0002342300000000, -0.0001996900000000 ] - [ 0.0000216200000000, 0.0001802100000000, -0.0001393500000000 ] - [ 0.0000999700000000, -0.0000669700000000, -0.0000649000000000 ] - [ 0.0000302600000000, -0.0001654300000000, 0.0001290300000000 ] - [ -0.0002043900000000, -0.0001941400000000, -0.0000634100000000 ] - [ -0.0000516900000000, 0.0000862200000000, 0.0000862700000000 ] - [ 0.0009965000000000, -0.0001721700000000, 0.0003606300000000 ] - [ -0.0001673300000000, -0.0003215900000000, -0.0001762900000000 ] - [ -0.0001762100000000, -0.0001252000000000, -0.0001317800000000 ] - [ 0.0000526700000000, 0.0001642000000000, -0.0001924300000000 ] - [ 0.0001512900000000, -0.0002312700000000, -0.0000062200000000 ] - [ -0.0001185000000000, 0.0001706200000000, -0.0001117900000000 ] - [ -0.0037917500000000, 0.0054295900000000, 0.0005202300000000 ] - [ -0.0004098900000000, 0.0004271800000000, 0.0002523700000000 ] - [ 0.0001985400000000, -0.0002517100000000, -0.0001108200000000 ] - [ -0.0002083900000000, -0.0000682300000000, -0.0001503300000000 ] - [ -0.0000835000000000, -0.0001303900000000, 0.0001480100000000 ] - [ 0.0003531800000000, -0.0002059100000000, 0.0002735800000000 ] - [ -0.0001161700000000, -0.0001525800000000, 0.0001686200000000 ] - [ -0.0002184700000000, -0.0004158500000000, 0.0001719200000000 ] - [ -0.0000689400000000, -0.0074044700000000, -0.0023141900000000 ] - [ 0.0297379700000000, -0.0400127200000000, -0.0020622900000000 ] - [ 0.0001207900000000, -0.0005199000000000, 0.0004112700000000 ] - [ -0.0000060400000000, -0.0000144400000000, -0.0001344800000000 ] - [ 0.0000035000000000, 0.0000385800000000, -0.0000729100000000 ] - [ 0.0002470600000000, 0.0002640500000000, 0.0002117100000000 ] - [ 0.0002941200000000, 0.0000317300000000, -0.0000064500000000 ] - [ 0.0000966500000000, 0.0001492500000000, 0.0000233700000000 ] - [ 0.0001185400000000, 0.0002029000000000, 0.0000841100000000 ] - [ 0.0002572800000000, 0.0005375700000000, -0.0000733900000000 ] - [ -0.0249509400000000, -0.0328310000000000, 0.0061769700000000 ] - [ 0.0000398200000000, -0.0002772600000000, 0.0000165000000000 ] - [ 0.0000685500000000, 0.0000035600000000, 0.0002290400000000 ] - [ 0.0002509700000000, -0.0002726500000000, -0.0001313000000000 ] - [ 0.0010917400000000, -0.0004530300000000, -0.0000513100000000 ] - [ -0.0002659100000000, 0.0000376600000000, -0.0004345900000000 ] - [ -0.0001234400000000, -0.0001256900000000, 0.0001114500000000 ] - [ -0.0001971100000000, -0.0000623000000000, -0.0002574800000000 ] - [ -0.0000507800000000, -0.0002040000000000, -0.0000317100000000 ] - [ 0.0004950800000000, -0.0002860400000000, -0.0001035800000000 ] - [ -0.0005273300000000, -0.0000278400000000, 0.0001988000000000 ] - [ 0.0005281600000000, 0.0003203900000000, -0.0000855500000000 ] - [ -0.0004323700000000, 0.0014107600000000, -0.0000784000000000 ]- atom: 36 displacement: [ -0.0027030911372206, 0.0000000000000000, 0.0096277358866911 ] forces: - [ 0.0002818000000000, 0.0000866300000000, 0.0002289400000000 ] - [ 0.0001459300000000, 0.0001736300000000, 0.0000934800000000 ] - [ -0.0004007600000000, 0.0000544500000000, -0.0003175600000000 ] - [ -0.0003502400000000, 0.0004450800000000, 0.0006025200000000 ] - [ -0.0104041600000000, 0.0006469700000000, 0.0136120700000000 ] - [ -0.0000400700000000, 0.0002628500000000, -0.0000027700000000 ] - [ -0.0001691400000000, -0.0006287300000000, 0.0011490700000000 ] - [ 0.0002904000000000, -0.0003408400000000, 0.0002066800000000 ] - [ 0.0002876500000000, -0.0009736300000000, -0.0004585200000000 ] - [ -0.0002883300000000, 0.0009317500000000, 0.0006718200000000 ] - [ -0.0004292200000000, -0.0020964700000000, 0.0611639300000000 ] - [ -0.0000590100000000, -0.0001451100000000, -0.0000326900000000 ] - [ -0.0000600200000000, 0.0002000200000000, -0.0003407400000000 ] - [ 0.0001067800000000, -0.0001678800000000, 0.0002672700000000 ] - [ 0.0001773800000000, -0.0000171900000000, 0.0003714900000000 ] - [ 0.0006737300000000, 0.0011210300000000, -0.0000864700000000 ] - [ 0.0001308900000000, 0.0004024900000000, -0.0000552000000000 ] - [ -0.0000381600000000, -0.0003883100000000, 0.0000770600000000 ] - [ -0.0000703200000000, -0.0001119000000000, -0.0001149300000000 ] - [ -0.0000149200000000, 0.0000000800000000, 0.0000737000000000 ] - [ 0.0001179900000000, 0.0002281400000000, 0.0001479600000000 ] - [ 0.0001082700000000, 0.0003310100000000, -0.0000836900000000 ] - [ 0.0002653100000000, -0.0002617200000000, 0.0000438200000000 ] - [ -0.0074107000000000, 0.0014454100000000, 0.0052795800000000 ] - [ -0.0000613200000000, 0.0001239300000000, -0.0004560200000000 ] - [ 0.0000643600000000, -0.0000026700000000, -0.0009449400000000 ] - [ 0.0000403000000000, -0.0001086400000000, 0.0001879600000000 ] - [ 0.0001601500000000, -0.0004595400000000, 0.0002270700000000 ] - [ -0.0002678300000000, -0.0001704500000000, -0.0002714000000000 ] - [ -0.0000319800000000, -0.0001712300000000, 0.0002351100000000 ] - [ 0.0016520300000000, 0.0040645600000000, 0.0006005000000000 ] - [ -0.0000414800000000, -0.0000112700000000, -0.0001016900000000 ] - [ -0.0001369100000000, -0.0002926300000000, -0.0000949200000000 ] - [ 0.0002374000000000, 0.0000377500000000, -0.0000708800000000 ] - [ -0.0001438500000000, 0.0003319500000000, 0.0002952000000000 ] - [ 0.0296020800000000, 0.0013497900000000, -0.1009728900000000 ] - [ 0.0001936600000000, -0.0001966400000000, -0.0001782600000000 ] - [ -0.0042634800000000, -0.0029713000000000, -0.0003088600000000 ] - [ -0.0000296200000000, -0.0001200200000000, 0.0000267300000000 ] - [ 0.0001694300000000, 0.0000446000000000, -0.0001480000000000 ] - [ 0.0001560500000000, -0.0000753800000000, 0.0016308400000000 ] - [ -0.0000333000000000, 0.0001060900000000, -0.0000103300000000 ] - [ 0.0002189600000000, 0.0001172700000000, 0.0002744700000000 ] - [ 0.0001911100000000, -0.0001056600000000, -0.0002197600000000 ] - [ 0.0000501000000000, -0.0001510200000000, 0.0001052500000000 ] - [ -0.0001827300000000, -0.0001534500000000, -0.0001046900000000 ] - [ 0.0003881200000000, -0.0000443900000000, 0.0006668800000000 ] - [ 0.0004539600000000, -0.0009414800000000, -0.0006729700000000 ] - [ -0.0001649000000000, -0.0003344700000000, -0.0001546000000000 ] - [ -0.0000507600000000, -0.0001613500000000, -0.0000911300000000 ] - [ 0.0000356200000000, 0.0002149600000000, -0.0001704100000000 ] - [ 0.0002263800000000, -0.0000181200000000, -0.0000656000000000 ] - [ -0.0002075200000000, 0.0001154600000000, -0.0005864300000000 ] - [ -0.0023683300000000, 0.0022844300000000, 0.0004932700000000 ] - [ -0.0007477300000000, -0.0011997200000000, 0.0001056000000000 ] - [ 0.0000654100000000, -0.0001455500000000, -0.0001085700000000 ] - [ 0.0000205700000000, 0.0000197000000000, -0.0002818000000000 ] - [ -0.0000861700000000, -0.0001327000000000, 0.0001414500000000 ] - [ -0.0005516100000000, 0.0003164100000000, -0.0003182300000000 ] - [ -0.0000974100000000, -0.0001653000000000, 0.0001701400000000 ] - [ -0.0002454500000000, -0.0004073900000000, 0.0001959900000000 ] - [ 0.0003964800000000, 0.0009743300000000, 0.0012944200000000 ] - [ -0.0045134900000000, 0.0011738700000000, 0.0061069800000000 ] - [ 0.0001249800000000, -0.0006034700000000, 0.0002397500000000 ] - [ 0.0000059600000000, -0.0000708800000000, -0.0000911900000000 ] - [ -0.0003319200000000, 0.0000751300000000, -0.0001121200000000 ] - [ 0.0001101500000000, 0.0003951600000000, 0.0001092500000000 ] - [ -0.0001553800000000, 0.0001343800000000, -0.0003225100000000 ] - [ 0.0000941200000000, 0.0001918900000000, 0.0000498900000000 ] - [ -0.0002419800000000, -0.0004049500000000, 0.0000608200000000 ] - [ 0.0002095000000000, 0.0003288300000000, 0.0000585200000000 ] - [ -0.0016996200000000, -0.0039435100000000, 0.0116732700000000 ] - [ 0.0000751500000000, -0.0002842600000000, -0.0000024200000000 ] - [ 0.0000598600000000, 0.0000090500000000, 0.0002089500000000 ] - [ -0.0006996700000000, -0.0000942200000000, -0.0005648100000000 ] - [ -0.0012605900000000, 0.0005912000000000, 0.0018175500000000 ] - [ 0.0004004900000000, -0.0003420100000000, 0.0001401300000000 ] - [ -0.0001093300000000, -0.0001245200000000, 0.0000978300000000 ] - [ -0.0000474300000000, 0.0000018400000000, 0.0000450700000000 ] - [ -0.0000584600000000, -0.0001582600000000, -0.0000593200000000 ] - [ -0.0006886100000000, -0.0002262400000000, -0.0004536200000000 ] - [ -0.0000391200000000, 0.0003304900000000, 0.0000177100000000 ] - [ 0.0012345200000000, -0.0001665900000000, -0.0007145100000000 ] - [ 0.0000700100000000, 0.0004284400000000, -0.0011205600000000 ]- atom: 36 displacement: [ 0.0027030911372206, 0.0000000000000000, -0.0096277358866911 ] forces: - [ 0.0001052700000000, 0.0002921200000000, 0.0001804000000000 ] - [ 0.0001628400000000, 0.0000859500000000, 0.0001353400000000 ] - [ 0.0001707900000000, -0.0004471000000000, -0.0001737100000000 ] - [ 0.0004156200000000, -0.0001214200000000, -0.0003445100000000 ] - [ 0.0101937800000000, -0.0005697800000000, -0.0132499300000000 ] - [ -0.0000680900000000, 0.0003015200000000, -0.0000406100000000 ] - [ -0.0000209600000000, 0.0009171400000000, -0.0008457400000000 ] - [ 0.0000514700000000, -0.0003225400000000, 0.0001287900000000 ] - [ -0.0005413200000000, 0.0012261900000000, 0.0006667900000000 ] - [ -0.0001829300000000, -0.0001127900000000, -0.0003334100000000 ] - [ 0.0010560000000000, 0.0022300800000000, -0.0586257300000000 ] - [ -0.0000515100000000, -0.0001621400000000, -0.0000371500000000 ] - [ -0.0000157400000000, 0.0000295700000000, 0.0000177100000000 ] - [ 0.0001183000000000, -0.0002256200000000, 0.0002260400000000 ] - [ 0.0000755300000000, 0.0006255400000000, -0.0001756000000000 ] - [ -0.0008200500000000, -0.0013008400000000, -0.0000456600000000 ] - [ -0.0000119600000000, 0.0001563800000000, 0.0000938300000000 ] - [ 0.0005221900000000, -0.0004165800000000, -0.0004118800000000 ] - [ 0.0001049600000000, 0.0001420600000000, 0.0000164500000000 ] - [ -0.0000193700000000, -0.0000257500000000, 0.0000277000000000 ] - [ -0.0000081000000000, 0.0000789600000000, -0.0000787000000000 ] - [ -0.0000475800000000, -0.0001148100000000, 0.0000197100000000 ] - [ -0.0001502200000000, -0.0000475100000000, 0.0000271800000000 ] - [ 0.0075224500000000, -0.0014382600000000, -0.0047702900000000 ] - [ -0.0000144300000000, -0.0003499200000000, 0.0001295200000000 ] - [ 0.0001787700000000, -0.0003048700000000, 0.0005793900000000 ] - [ 0.0000368100000000, -0.0001199000000000, 0.0001364500000000 ] - [ 0.0000940900000000, -0.0001409100000000, -0.0000216200000000 ] - [ -0.0001204800000000, -0.0002076100000000, -0.0001367500000000 ] - [ -0.0002045500000000, -0.0001065900000000, -0.0000011300000000 ] - [ -0.0019624800000000, -0.0037911400000000, -0.0008299100000000 ] - [ 0.0001018600000000, -0.0002098500000000, 0.0000404100000000 ] - [ -0.0001168600000000, -0.0003083600000000, -0.0001078600000000 ] - [ -0.0000021500000000, 0.0002780900000000, -0.0002796400000000 ] - [ 0.0000291800000000, -0.0000218600000000, -0.0003649000000000 ] - [ -0.0307685100000000, -0.0009155300000000, 0.0978424600000000 ] - [ 0.0001570600000000, -0.0001521900000000, 0.0003672600000000 ] - [ 0.0041812800000000, 0.0031501400000000, 0.0003815000000000 ] - [ -0.0000330600000000, -0.0001022900000000, 0.0000380900000000 ] - [ 0.0000454100000000, 0.0001988700000000, -0.0000611800000000 ] - [ 0.0002112900000000, -0.0002965000000000, -0.0011989100000000 ] - [ -0.0000394500000000, 0.0002101500000000, -0.0002493300000000 ] - [ -0.0000771100000000, 0.0000600400000000, -0.0001245500000000 ] - [ 0.0000274600000000, -0.0001322900000000, 0.0000123600000000 ] - [ 0.0000233900000000, -0.0001664800000000, 0.0001543500000000 ] - [ -0.0001714400000000, -0.0001972500000000, -0.0000840600000000 ] - [ -0.0003918000000000, 0.0001309800000000, -0.0004542400000000 ] - [ -0.0001089900000000, 0.0006721500000000, 0.0008801100000000 ] - [ -0.0001777200000000, -0.0003299400000000, -0.0001823500000000 ] - [ -0.0002603300000000, -0.0000996500000000, -0.0001365800000000 ] - [ 0.0001440000000000, 0.0000694700000000, -0.0001188900000000 ] - [ -0.0000476400000000, -0.0002687700000000, -0.0002218000000000 ] - [ -0.0000180200000000, 0.0002770300000000, 0.0000971200000000 ] - [ 0.0020433800000000, -0.0016464700000000, -0.0008410800000000 ] - [ 0.0007601900000000, 0.0011557600000000, -0.0002060000000000 ] - [ 0.0000766800000000, -0.0000364500000000, 0.0002606000000000 ] - [ -0.0001459500000000, -0.0000253100000000, -0.0001901500000000 ] - [ -0.0000928600000000, -0.0001514300000000, 0.0001478000000000 ] - [ 0.0009249100000000, 0.0000324200000000, 0.0005273800000000 ] - [ -0.0001379800000000, -0.0001483000000000, 0.0001774300000000 ] - [ -0.0002422000000000, -0.0003942500000000, 0.0001458600000000 ] - [ -0.0006804600000000, -0.0006602200000000, -0.0009397100000000 ] - [ 0.0045284800000000, -0.0007448300000000, -0.0063933300000000 ] - [ -0.0000259000000000, 0.0001955900000000, -0.0001630700000000 ] - [ -0.0000117500000000, -0.0000123500000000, -0.0001424900000000 ] - [ 0.0001871100000000, 0.0001009000000000, -0.0000352400000000 ] - [ 0.0002354700000000, 0.0002679600000000, 0.0002301600000000 ] - [ 0.0003943500000000, 0.0001443700000000, 0.0000919900000000 ] - [ 0.0000070700000000, 0.0002052300000000, 0.0000242800000000 ] - [ 0.0002370100000000, 0.0003196500000000, 0.0001821200000000 ] - [ 0.0002787800000000, 0.0004739500000000, -0.0003986600000000 ] - [ 0.0016432900000000, 0.0042462800000000, -0.0115457400000000 ] - [ 0.0000330900000000, -0.0002809300000000, 0.0000465900000000 ] - [ 0.0000645400000000, -0.0000032600000000, 0.0002622000000000 ] - [ 0.0005689700000000, 0.0000891900000000, 0.0000936500000000 ] - [ 0.0011534300000000, -0.0001854800000000, -0.0018760200000000 ] - [ -0.0005040700000000, -0.0002170700000000, -0.0001868300000000 ] - [ -0.0001084900000000, -0.0001177400000000, 0.0001139600000000 ] - [ -0.0000213000000000, -0.0003132600000000, -0.0003030600000000 ] - [ -0.0000429300000000, -0.0002394500000000, -0.0000132500000000 ] - [ 0.0009183400000000, -0.0000516100000000, 0.0002132800000000 ] - [ 0.0001155000000000, -0.0000989900000000, 0.0003120500000000 ] - [ -0.0009996100000000, 0.0005534700000000, 0.0012179500000000 ] - [ -0.0004340400000000, -0.0000628000000000, 0.0006949700000000 ]- atom: 40 displacement: [ 0.0099998398488412, 0.0000000000000000, -0.0000565950309369 ] forces: - [ 0.0003650000000000, -0.0003146000000000, 0.0003204700000000 ] - [ 0.0005050100000000, 0.0011843400000000, 0.0002124600000000 ] - [ -0.0001027400000000, -0.0001840900000000, -0.0002397200000000 ] - [ 0.0000195700000000, 0.0001254800000000, 0.0000857100000000 ] - [ -0.0000721700000000, 0.0000613100000000, 0.0001169500000000 ] - [ -0.0012230800000000, -0.0000598900000000, 0.0002590500000000 ] - [ -0.0000932100000000, 0.0002091500000000, 0.0001482100000000 ] - [ 0.0001709700000000, -0.0003268200000000, 0.0001492000000000 ] - [ 0.0000115600000000, 0.0001725200000000, 0.0001233100000000 ] - [ -0.0002424700000000, 0.0004566800000000, 0.0002858400000000 ] - [ -0.0001486000000000, 0.0000773500000000, -0.0002448600000000 ] - [ 0.0000223800000000, -0.0001103400000000, 0.0000770500000000 ] - [ -0.0000877300000000, 0.0004616000000000, -0.0004163600000000 ] - [ 0.0000731600000000, -0.0002295200000000, 0.0001993300000000 ] - [ -0.0049816600000000, -0.0031022700000000, 0.0008122800000000 ] - [ -0.0000325100000000, -0.0000033800000000, -0.0002327500000000 ] - [ 0.0000845100000000, 0.0003474600000000, -0.0000860300000000 ] - [ 0.0002424000000000, -0.0003945600000000, -0.0001720600000000 ] - [ 0.0024323100000000, 0.0034152300000000, -0.0001920900000000 ] - [ -0.0000510300000000, 0.0008913800000000, 0.0005048800000000 ] - [ 0.0000559900000000, -0.0000041900000000, -0.0001585500000000 ] - [ 0.0089405600000000, -0.0023619500000000, 0.0070101000000000 ] - [ 0.0000627900000000, -0.0001508700000000, 0.0000389900000000 ] - [ -0.0000018800000000, 0.0000760800000000, 0.0003286700000000 ] - [ -0.0000439400000000, -0.0001149600000000, -0.0001595000000000 ] - [ 0.0001122600000000, -0.0001500500000000, -0.0001913400000000 ] - [ 0.0001276000000000, 0.0000510000000000, 0.0003262700000000 ] - [ 0.0001277600000000, -0.0003063400000000, 0.0000971000000000 ] - [ -0.0002296800000000, -0.0003005600000000, -0.0002716000000000 ] - [ -0.0000162600000000, -0.0001085700000000, 0.0001492600000000 ] - [ -0.0001436800000000, 0.0001359000000000, -0.0000798400000000 ] - [ 0.0000456100000000, -0.0001162100000000, -0.0000306100000000 ] - [ -0.0001563300000000, -0.0003971700000000, -0.0002358800000000 ] - [ 0.0010619800000000, 0.0018419800000000, -0.0012824600000000 ] - [ -0.0001469000000000, 0.0001499600000000, -0.0000821200000000 ] - [ 0.0000773600000000, 0.0002583700000000, 0.0000348700000000 ] - [ 0.0001648900000000, -0.0001648700000000, 0.0000973400000000 ] - [ -0.0000677600000000, 0.0001857500000000, -0.0000626700000000 ] - [ -0.0002294700000000, -0.0001276800000000, -0.0001661300000000 ] - [ -0.0967093800000000, -0.0074436600000000, -0.0021915100000000 ] - [ 0.0002058100000000, -0.0001696000000000, 0.0002329000000000 ] - [ -0.0001398800000000, -0.0000478500000000, 0.0002786700000000 ] - [ 0.0000845100000000, 0.0000815800000000, 0.0001161800000000 ] - [ 0.0000968500000000, -0.0001108600000000, -0.0000951100000000 ] - [ 0.0004755500000000, -0.0001429800000000, 0.0004869600000000 ] - [ -0.0001878800000000, -0.0001883400000000, -0.0000196800000000 ] - [ 0.0010825000000000, -0.0029398100000000, 0.0029685700000000 ] - [ 0.0001267200000000, -0.0001446000000000, 0.0001018900000000 ] - [ -0.0000834600000000, -0.0003003500000000, 0.0003148100000000 ] - [ -0.0004013100000000, -0.0003591200000000, 0.0003206600000000 ] - [ 0.0077546200000000, 0.0000629300000000, -0.0029214300000000 ] - [ 0.0000906000000000, -0.0001447500000000, -0.0001615700000000 ] - [ 0.0001306100000000, -0.0004027600000000, -0.0002089100000000 ] - [ -0.0001648100000000, 0.0002716700000000, -0.0000752800000000 ] - [ 0.0000120600000000, -0.0000292100000000, -0.0000733900000000 ] - [ 0.0007907900000000, -0.0005014600000000, 0.0002078500000000 ] - [ 0.0020101400000000, 0.0059531000000000, -0.0058355400000000 ] - [ -0.0002977900000000, -0.0001058800000000, 0.0001324500000000 ] - [ 0.0318567500000000, -0.0236175500000000, 0.0072475900000000 ] - [ -0.0000776500000000, -0.0000160400000000, 0.0002878900000000 ] - [ 0.0001137400000000, -0.0003812800000000, -0.0001318100000000 ] - [ -0.0001804900000000, 0.0001743400000000, 0.0001771500000000 ] - [ -0.0001495000000000, 0.0002144600000000, 0.0000227200000000 ] - [ 0.0000527200000000, -0.0001935600000000, 0.0000335400000000 ] - [ -0.0000898500000000, -0.0000568900000000, -0.0000107300000000 ] - [ -0.0001117300000000, 0.0000942700000000, -0.0000940300000000 ] - [ 0.0421636000000000, 0.0314501300000000, -0.0019583100000000 ] - [ 0.0009922500000000, -0.0003453400000000, -0.0006949400000000 ] - [ 0.0032227200000000, -0.0004167100000000, -0.0046481100000000 ] - [ 0.0000019700000000, -0.0000634000000000, 0.0001138300000000 ] - [ 0.0006762300000000, -0.0001215900000000, -0.0003053800000000 ] - [ -0.0000261900000000, 0.0000983000000000, 0.0001187900000000 ] - [ -0.0002859500000000, -0.0003758000000000, -0.0003498200000000 ] - [ 0.0003610900000000, -0.0004193000000000, 0.0003019000000000 ] - [ -0.0000693800000000, -0.0000118900000000, -0.0002427600000000 ] - [ -0.0000523300000000, 0.0002055900000000, 0.0000285200000000 ] - [ -0.0000573300000000, -0.0002864200000000, -0.0000208000000000 ] - [ 0.0001442400000000, 0.0002137400000000, -0.0002731800000000 ] - [ -0.0000431200000000, -0.0001527000000000, -0.0001400400000000 ] - [ -0.0001696200000000, -0.0004826500000000, -0.0001264700000000 ] - [ 0.0000942200000000, -0.0001539800000000, -0.0001532300000000 ] - [ 0.0001913900000000, -0.0001342600000000, 0.0001236800000000 ] - [ 0.0001677900000000, 0.0002109600000000, 0.0002356900000000 ] - [ -0.0002344200000000, 0.0001568900000000, -0.0001930100000000 ]- atom: 40 displacement: [ -0.0099998398488412, 0.0000000000000000, 0.0000565950309369 ] forces: - [ 0.0000267500000000, 0.0006881300000000, 0.0000959300000000 ] - [ -0.0001970300000000, -0.0009212000000000, -0.0000143900000000 ] - [ -0.0001253200000000, -0.0002026800000000, -0.0002593800000000 ] - [ 0.0000536000000000, 0.0001896000000000, 0.0001732400000000 ] - [ 0.0000365600000000, -0.0000357400000000, -0.0000155100000000 ] - [ 0.0011190000000000, 0.0006361600000000, -0.0002994800000000 ] - [ -0.0000839700000000, 0.0000759800000000, 0.0001441400000000 ] - [ 0.0001658600000000, -0.0003367400000000, 0.0001778500000000 ] - [ -0.0002411400000000, 0.0001146800000000, 0.0001148300000000 ] - [ -0.0002548000000000, 0.0003447100000000, 0.0000629200000000 ] - [ 0.0001364800000000, 0.0000079500000000, 0.0000072200000000 ] - [ -0.0001280600000000, -0.0001908300000000, -0.0001482200000000 ] - [ 0.0000143900000000, -0.0002337700000000, 0.0000998700000000 ] - [ 0.0001548400000000, -0.0001584700000000, 0.0003006000000000 ] - [ 0.0052429500000000, 0.0037262900000000, -0.0006120300000000 ] - [ -0.0001049800000000, -0.0001843000000000, 0.0000900900000000 ] - [ 0.0000225700000000, 0.0002214400000000, 0.0001251800000000 ] - [ 0.0002513800000000, -0.0004049900000000, -0.0001754900000000 ] - [ -0.0023862100000000, -0.0034773400000000, 0.0001647700000000 ] - [ 0.0000203900000000, -0.0008939200000000, -0.0004031200000000 ] - [ 0.0000520700000000, 0.0003091400000000, 0.0002268000000000 ] - [ -0.0088319300000000, 0.0026662500000000, -0.0068972400000000 ] - [ 0.0000412600000000, -0.0001492000000000, 0.0000327000000000 ] - [ 0.0001282500000000, -0.0000853300000000, 0.0001416900000000 ] - [ -0.0000386900000000, -0.0001109600000000, -0.0001712600000000 ] - [ 0.0001245300000000, -0.0001617900000000, -0.0001614000000000 ] - [ -0.0000464900000000, -0.0002761600000000, 0.0000036800000000 ] - [ 0.0001248200000000, -0.0002893000000000, 0.0000960400000000 ] - [ -0.0001593600000000, -0.0000791200000000, -0.0001388500000000 ] - [ -0.0002187800000000, -0.0001772100000000, 0.0000920200000000 ] - [ -0.0001700500000000, 0.0001282400000000, -0.0001415800000000 ] - [ 0.0000203900000000, -0.0001131800000000, -0.0000299700000000 ] - [ -0.0000952000000000, -0.0001969200000000, 0.0000431300000000 ] - [ -0.0008178700000000, -0.0015273600000000, 0.0009237300000000 ] - [ 0.0000438700000000, 0.0001506400000000, 0.0000092200000000 ] - [ -0.0004337300000000, 0.0000980200000000, -0.0002159700000000 ] - [ 0.0001926400000000, -0.0001896900000000, 0.0000834100000000 ] - [ 0.0000010300000000, 0.0000444000000000, 0.0001233400000000 ] - [ 0.0001679200000000, -0.0001039700000000, 0.0002290800000000 ] - [ 0.0959150700000000, 0.0050248800000000, 0.0018308100000000 ] - [ 0.0001836400000000, -0.0002070600000000, 0.0001824500000000 ] - [ 0.0000568500000000, 0.0003623600000000, -0.0005405900000000 ] - [ 0.0000513600000000, 0.0001050700000000, 0.0000275500000000 ] - [ 0.0001253600000000, -0.0001316500000000, -0.0001219000000000 ] - [ -0.0004052600000000, -0.0001737400000000, -0.0002228000000000 ] - [ -0.0001709100000000, -0.0001649900000000, -0.0001630400000000 ] - [ -0.0011242700000000, 0.0030905300000000, -0.0026821300000000 ] - [ 0.0001860900000000, -0.0001199400000000, 0.0001196000000000 ] - [ -0.0002526700000000, -0.0003657800000000, -0.0006380300000000 ] - [ 0.0000858800000000, 0.0000887100000000, -0.0005395400000000 ] - [ -0.0074849800000000, 0.0002184100000000, 0.0026112100000000 ] - [ 0.0000849200000000, -0.0001420100000000, -0.0001317700000000 ] - [ -0.0003609800000000, 0.0007828600000000, -0.0002805800000000 ] - [ -0.0001723900000000, 0.0003916700000000, -0.0002498700000000 ] - [ 0.0000225600000000, 0.0000036300000000, -0.0000290200000000 ] - [ -0.0006377800000000, 0.0002990400000000, -0.0000708700000000 ] - [ -0.0021609300000000, -0.0059207200000000, 0.0053497100000000 ] - [ 0.0001205800000000, -0.0001794900000000, 0.0001614200000000 ] - [ -0.0323344100000000, 0.0250395700000000, -0.0071875600000000 ] - [ -0.0001580700000000, -0.0002988200000000, 0.0000623700000000 ] - [ -0.0006072100000000, -0.0004163800000000, 0.0004779700000000 ] - [ -0.0000580400000000, 0.0001385300000000, 0.0001760600000000 ] - [ -0.0001038600000000, 0.0003777600000000, -0.0002142900000000 ] - [ 0.0000480400000000, -0.0002076600000000, 0.0000375100000000 ] - [ 0.0000763700000000, -0.0000253900000000, -0.0002246200000000 ] - [ -0.0000249700000000, 0.0000902100000000, -0.0000479300000000 ] - [ -0.0400987600000000, -0.0292704300000000, 0.0023168700000000 ] - [ -0.0007527300000000, 0.0006102400000000, 0.0004622200000000 ] - [ -0.0030946400000000, 0.0008255200000000, 0.0046502700000000 ] - [ 0.0000079600000000, -0.0000218800000000, 0.0001238000000000 ] - [ -0.0001917100000000, 0.0009037400000000, -0.0000210000000000 ] - [ -0.0001961800000000, 0.0001440500000000, 0.0000988800000000 ] - [ 0.0003967700000000, -0.0001924200000000, 0.0003898500000000 ] - [ -0.0002344400000000, 0.0004273900000000, 0.0001617200000000 ] - [ -0.0000590500000000, 0.0000220600000000, -0.0002263300000000 ] - [ -0.0000488200000000, 0.0001953000000000, -0.0000985800000000 ] - [ -0.0000485000000000, -0.0002834500000000, -0.0000169600000000 ] - [ -0.0003662000000000, -0.0004568200000000, 0.0004892100000000 ] - [ -0.0000295300000000, -0.0001634900000000, -0.0001197700000000 ] - [ 0.0000683600000000, 0.0000825600000000, 0.0000585900000000 ] - [ 0.0001383800000000, -0.0001316700000000, -0.0000871500000000 ] - [ -0.0001046000000000, 0.0003531100000000, 0.0002062100000000 ] - [ 0.0000613200000000, 0.0001751000000000, 0.0002639200000000 ] - [ -0.0001555300000000, 0.0002200000000000, -0.0002214900000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000749600000000, 0.0006673000000000, 0.0001041300000000 ] - [ 0.0005983100000000, 0.0002858800000000, 0.0014155800000000 ] - [ -0.0001049800000000, -0.0002011900000000, -0.0002557500000000 ] - [ 0.0000978100000000, 0.0001875500000000, -0.0000541500000000 ] - [ -0.0000294300000000, 0.0000351800000000, 0.0000044500000000 ] - [ -0.0001715800000000, -0.0008168800000000, 0.0010615400000000 ] - [ -0.0001065000000000, -0.0000408500000000, 0.0001626800000000 ] - [ 0.0001728300000000, -0.0003368800000000, 0.0001540000000000 ] - [ -0.0001162600000000, 0.0002621900000000, 0.0001686200000000 ] - [ -0.0004743600000000, 0.0005522900000000, 0.0003388000000000 ] - [ 0.0000610700000000, 0.0000804600000000, -0.0000936700000000 ] - [ -0.0001233300000000, -0.0000742100000000, -0.0000348600000000 ] - [ -0.0002160100000000, -0.0011667600000000, -0.0005327000000000 ] - [ 0.0000884200000000, -0.0001827400000000, 0.0002746500000000 ] - [ -0.0015471700000000, 0.0060299400000000, -0.0018697200000000 ] - [ -0.0000833600000000, -0.0000497200000000, -0.0000577700000000 ] - [ 0.0002251700000000, 0.0002562900000000, 0.0001932300000000 ] - [ 0.0002381100000000, -0.0003903700000000, -0.0001854200000000 ] - [ -0.0015448200000000, 0.0009182200000000, -0.0041254800000000 ] - [ -0.0003600300000000, 0.0008373900000000, 0.0008984800000000 ] - [ 0.0002666000000000, 0.0005986000000000, -0.0005731700000000 ] - [ -0.0015495600000000, 0.0098079900000000, 0.0117669700000000 ] - [ 0.0000663300000000, -0.0001488300000000, 0.0000513800000000 ] - [ -0.0000149300000000, 0.0001116400000000, 0.0002019900000000 ] - [ -0.0000431500000000, -0.0001030100000000, -0.0001768800000000 ] - [ 0.0001218200000000, -0.0001512000000000, -0.0001683800000000 ] - [ 0.0001349200000000, -0.0000811200000000, 0.0003871500000000 ] - [ 0.0001275600000000, -0.0002896400000000, 0.0001102700000000 ] - [ -0.0002702900000000, -0.0002034800000000, -0.0000310700000000 ] - [ -0.0002035800000000, -0.0001830800000000, 0.0000475600000000 ] - [ -0.0001901400000000, 0.0001064700000000, -0.0001154500000000 ] - [ 0.0000230400000000, -0.0001117800000000, -0.0000068400000000 ] - [ -0.0001984000000000, -0.0003195200000000, -0.0000657100000000 ] - [ 0.0000983900000000, 0.0014400200000000, -0.0008733300000000 ] - [ -0.0000743100000000, 0.0001843100000000, -0.0001803100000000 ] - [ -0.0001816300000000, 0.0001498100000000, -0.0001719900000000 ] - [ 0.0001825500000000, -0.0001807600000000, 0.0000876400000000 ] - [ -0.0000426300000000, 0.0001283500000000, 0.0000059000000000 ] - [ -0.0002202300000000, 0.0000837500000000, -0.0006594300000000 ] - [ -0.0060864000000000, -0.1021240900000000, 0.0016300800000000 ] - [ 0.0001683500000000, -0.0001924100000000, 0.0002208200000000 ] - [ -0.0002045700000000, 0.0006567700000000, -0.0003172900000000 ] - [ 0.0000366800000000, 0.0000932300000000, 0.0000127200000000 ] - [ 0.0001088200000000, -0.0001313900000000, -0.0001100500000000 ] - [ 0.0000454700000000, 0.0001032200000000, 0.0000249400000000 ] - [ -0.0002111800000000, -0.0002398800000000, -0.0001108900000000 ] - [ 0.0003763700000000, 0.0018103300000000, -0.0063959900000000 ] - [ 0.0001805100000000, -0.0001159800000000, 0.0001158100000000 ] - [ -0.0000150700000000, -0.0003252100000000, 0.0000831800000000 ] - [ -0.0005390000000000, 0.0001343300000000, -0.0003458700000000 ] - [ -0.0015187100000000, -0.0019309000000000, 0.0004661300000000 ] - [ 0.0000943600000000, -0.0001506000000000, -0.0001312200000000 ] - [ -0.0001328700000000, 0.0002001400000000, -0.0003319000000000 ] - [ -0.0001129600000000, 0.0002396700000000, 0.0000327600000000 ] - [ 0.0000307200000000, -0.0000178600000000, -0.0000687500000000 ] - [ 0.0000809300000000, 0.0002831100000000, -0.0008701700000000 ] - [ 0.0039750900000000, 0.0110514000000000, -0.0029136600000000 ] - [ 0.0000325900000000, -0.0003035800000000, 0.0001891200000000 ] - [ -0.0153469800000000, 0.0331590000000000, 0.0001367500000000 ] - [ -0.0000969900000000, -0.0001399700000000, 0.0000052000000000 ] - [ -0.0002804200000000, -0.0002169500000000, 0.0003203900000000 ] - [ -0.0000068300000000, 0.0001897700000000, 0.0001661000000000 ] - [ -0.0000321200000000, 0.0002891100000000, 0.0000594400000000 ] - [ 0.0000411100000000, -0.0001925200000000, 0.0000383200000000 ] - [ -0.0003144400000000, 0.0001142800000000, 0.0001527300000000 ] - [ -0.0000133700000000, 0.0002237800000000, -0.0001092100000000 ] - [ 0.0279048000000000, 0.0386496100000000, -0.0019526800000000 ] - [ -0.0002907700000000, 0.0004549900000000, -0.0005002700000000 ] - [ -0.0019166500000000, 0.0011063800000000, 0.0035729300000000 ] - [ 0.0000075000000000, -0.0000256300000000, 0.0001493900000000 ] - [ -0.0009135100000000, -0.0000441400000000, 0.0003758200000000 ] - [ -0.0000952100000000, -0.0000101000000000, 0.0000371100000000 ] - [ 0.0002456800000000, -0.0005787000000000, 0.0002786100000000 ] - [ 0.0000055100000000, -0.0001118200000000, 0.0002606300000000 ] - [ -0.0000743400000000, 0.0000003600000000, -0.0002439200000000 ] - [ -0.0000336900000000, 0.0001775900000000, -0.0000266000000000 ] - [ -0.0000610400000000, -0.0002883000000000, -0.0000168100000000 ] - [ 0.0002101000000000, 0.0004924400000000, -0.0005455200000000 ] - [ -0.0000495000000000, -0.0001694000000000, -0.0001145500000000 ] - [ 0.0000747300000000, -0.0002881900000000, -0.0001997100000000 ] - [ 0.0001294600000000, -0.0001418400000000, -0.0001092100000000 ] - [ 0.0002160600000000, 0.0003619500000000, -0.0001365100000000 ] - [ -0.0000145700000000, 0.0001740700000000, 0.0001597900000000 ] - [ -0.0001649700000000, 0.0000822700000000, -0.0001409400000000 ]- atom: 40 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004561900000000, -0.0002935600000000, 0.0003021500000000 ] - [ -0.0002702200000000, -0.0000010400000000, -0.0011940100000000 ] - [ -0.0001222100000000, -0.0001889400000000, -0.0002398500000000 ] - [ -0.0000261200000000, 0.0001306900000000, 0.0003116100000000 ] - [ -0.0000084700000000, -0.0000081000000000, 0.0000979200000000 ] - [ 0.0000530000000000, 0.0013821100000000, -0.0011170800000000 ] - [ -0.0000706100000000, 0.0003268200000000, 0.0001265300000000 ] - [ 0.0001653800000000, -0.0003257300000000, 0.0001768600000000 ] - [ -0.0001188800000000, 0.0000167400000000, 0.0000651100000000 ] - [ -0.0000125900000000, 0.0002499600000000, 0.0000046300000000 ] - [ -0.0000729400000000, 0.0000036700000000, -0.0001459100000000 ] - [ 0.0000125600000000, -0.0002295200000000, -0.0000325100000000 ] - [ 0.0001330800000000, 0.0014015300000000, 0.0002187300000000 ] - [ 0.0001387800000000, -0.0002074000000000, 0.0002216100000000 ] - [ 0.0017247600000000, -0.0053233100000000, 0.0020506400000000 ] - [ -0.0000571300000000, -0.0001298700000000, -0.0000864000000000 ] - [ -0.0001153400000000, 0.0003072100000000, -0.0001520000000000 ] - [ 0.0002502500000000, -0.0004124300000000, -0.0001576200000000 ] - [ 0.0015853200000000, -0.0009068900000000, 0.0040346600000000 ] - [ 0.0003158300000000, -0.0008843600000000, -0.0007956700000000 ] - [ -0.0001638600000000, -0.0002864500000000, 0.0006384500000000 ] - [ 0.0016454200000000, -0.0095841300000000, -0.0116281600000000 ] - [ 0.0000419000000000, -0.0001551800000000, 0.0000170300000000 ] - [ 0.0001386600000000, -0.0001194300000000, 0.0002709600000000 ] - [ -0.0000361600000000, -0.0001235100000000, -0.0001488700000000 ] - [ 0.0001126300000000, -0.0001612800000000, -0.0001821900000000 ] - [ -0.0000557400000000, -0.0001447800000000, -0.0000597600000000 ] - [ 0.0001258500000000, -0.0003071000000000, 0.0000873600000000 ] - [ -0.0001164100000000, -0.0001727100000000, -0.0003783100000000 ] - [ -0.0000338900000000, -0.0000970400000000, 0.0001878800000000 ] - [ -0.0001193900000000, 0.0001583500000000, -0.0001116900000000 ] - [ 0.0000405100000000, -0.0001128100000000, -0.0000546400000000 ] - [ -0.0000554100000000, -0.0002775500000000, -0.0001322400000000 ] - [ 0.0001291400000000, -0.0011014700000000, 0.0005104400000000 ] - [ -0.0000347900000000, 0.0001205500000000, 0.0001115300000000 ] - [ -0.0001671500000000, 0.0002090300000000, -0.0000128700000000 ] - [ 0.0001735600000000, -0.0001726700000000, 0.0000973200000000 ] - [ -0.0000201500000000, 0.0000994900000000, 0.0000531700000000 ] - [ 0.0001596700000000, -0.0002959400000000, 0.0007203200000000 ] - [ 0.0063345400000000, 0.1005092700000000, -0.0019542400000000 ] - [ 0.0002179300000000, -0.0001837300000000, 0.0001917900000000 ] - [ 0.0001234400000000, -0.0003429100000000, 0.0000674500000000 ] - [ 0.0001045900000000, 0.0000874300000000, 0.0001335600000000 ] - [ 0.0001126600000000, -0.0001120900000000, -0.0001052500000000 ] - [ 0.0000277600000000, -0.0004214700000000, 0.0002357500000000 ] - [ -0.0001436700000000, -0.0001143200000000, -0.0000704800000000 ] - [ -0.0003933100000000, -0.0016882300000000, 0.0065962500000000 ] - [ 0.0001287200000000, -0.0001482800000000, 0.0001104500000000 ] - [ -0.0003240300000000, -0.0003368200000000, -0.0004172100000000 ] - [ 0.0002285000000000, -0.0003984600000000, 0.0001201500000000 ] - [ 0.0016795000000000, 0.0022342200000000, -0.0007695500000000 ] - [ 0.0000819900000000, -0.0001327900000000, -0.0001607400000000 ] - [ -0.0000838100000000, 0.0001938400000000, -0.0001622400000000 ] - [ -0.0002243100000000, 0.0004238400000000, -0.0003618300000000 ] - [ 0.0000042000000000, -0.0000074600000000, -0.0000312900000000 ] - [ 0.0000443200000000, -0.0004763500000000, 0.0010257900000000 ] - [ -0.0040075100000000, -0.0109371600000000, 0.0023680500000000 ] - [ -0.0002075100000000, 0.0000180900000000, 0.0001023700000000 ] - [ 0.0146784000000000, -0.0318764700000000, 0.0000618500000000 ] - [ -0.0001384100000000, -0.0001740900000000, 0.0003431900000000 ] - [ -0.0002067400000000, -0.0005859000000000, 0.0000201300000000 ] - [ -0.0002285900000000, 0.0001241800000000, 0.0001838400000000 ] - [ -0.0002208300000000, 0.0003031200000000, -0.0002543600000000 ] - [ 0.0000616100000000, -0.0002062200000000, 0.0000356400000000 ] - [ 0.0003094700000000, -0.0001952600000000, -0.0003913400000000 ] - [ -0.0001276600000000, -0.0000435500000000, -0.0000357900000000 ] - [ -0.0265280700000000, -0.0374361400000000, 0.0023627800000000 ] - [ 0.0005337000000000, -0.0001761400000000, 0.0002594000000000 ] - [ 0.0019866400000000, -0.0006804100000000, -0.0035310700000000 ] - [ -0.0000009800000000, -0.0000575700000000, 0.0000868400000000 ] - [ 0.0013994900000000, 0.0008674300000000, -0.0007338600000000 ] - [ -0.0001236100000000, 0.0002527100000000, 0.0001778300000000 ] - [ -0.0001311200000000, 0.0000186800000000, -0.0002342900000000 ] - [ 0.0001222300000000, 0.0001198800000000, 0.0002089900000000 ] - [ -0.0000529300000000, 0.0000093900000000, -0.0002261500000000 ] - [ -0.0000698000000000, 0.0002214000000000, -0.0000483900000000 ] - [ -0.0000482900000000, -0.0002756000000000, -0.0000249300000000 ] - [ -0.0004360700000000, -0.0007371200000000, 0.0007647400000000 ] - [ -0.0000221100000000, -0.0001479600000000, -0.0001443000000000 ] - [ -0.0001754900000000, -0.0001092900000000, 0.0001291100000000 ] - [ 0.0001064300000000, -0.0001380100000000, -0.0001258800000000 ] - [ -0.0001383600000000, -0.0001378800000000, 0.0004567300000000 ] - [ 0.0002438500000000, 0.0002167100000000, 0.0003371200000000 ] - [ -0.0002217800000000, 0.0002945300000000, -0.0002717700000000 ]- atom: 40 displacement: [ -0.0027030911372206, 0.0000000000000000, 0.0096277358866911 ] forces: - [ 0.0001880700000000, 0.0007390900000000, -0.0000295600000000 ] - [ -0.0002265200000000, -0.0012164400000000, 0.0020455600000000 ] - [ -0.0001112600000000, -0.0001947900000000, -0.0002433700000000 ] - [ 0.0000215500000000, 0.0001838800000000, 0.0001638800000000 ] - [ 0.0000292400000000, 0.0000009000000000, 0.0000046200000000 ] - [ -0.0000292400000000, 0.0003241800000000, -0.0006030800000000 ] - [ -0.0000056000000000, 0.0002377100000000, 0.0001399800000000 ] - [ 0.0001799200000000, -0.0003305000000000, 0.0001836500000000 ] - [ -0.0001270400000000, 0.0001520700000000, -0.0000422900000000 ] - [ -0.0001875600000000, 0.0001563300000000, 0.0000921600000000 ] - [ 0.0001921700000000, -0.0000105100000000, 0.0000569300000000 ] - [ -0.0001657100000000, -0.0001536300000000, 0.0000436900000000 ] - [ 0.0002942800000000, 0.0007922300000000, -0.0012046100000000 ] - [ 0.0001594800000000, -0.0001870100000000, 0.0002567900000000 ] - [ -0.0012139300000000, 0.0001593300000000, 0.0001741100000000 ] - [ 0.0000401500000000, -0.0000584700000000, -0.0001902300000000 ] - [ 0.0000155300000000, 0.0003696100000000, -0.0000429000000000 ] - [ 0.0002368500000000, -0.0003993600000000, -0.0001395000000000 ] - [ -0.0016745000000000, -0.0099395600000000, 0.0124554900000000 ] - [ 0.0010120000000000, 0.0005764500000000, -0.0007299200000000 ] - [ -0.0000399100000000, 0.0002446300000000, 0.0002534200000000 ] - [ -0.0005687700000000, 0.0038430100000000, 0.0631277000000000 ] - [ 0.0000635400000000, -0.0001651200000000, 0.0000273800000000 ] - [ 0.0001947600000000, -0.0001449400000000, 0.0002492900000000 ] - [ -0.0000459400000000, -0.0001247600000000, -0.0001520700000000 ] - [ 0.0001167800000000, -0.0001598300000000, -0.0001674700000000 ] - [ -0.0001362500000000, -0.0001238100000000, -0.0000949900000000 ] - [ 0.0001267200000000, -0.0003141800000000, 0.0001016100000000 ] - [ -0.0003228200000000, -0.0003360400000000, -0.0002268000000000 ] - [ -0.0002397500000000, -0.0001275100000000, 0.0000507900000000 ] - [ -0.0001429400000000, 0.0001559400000000, -0.0001054600000000 ] - [ 0.0000276200000000, -0.0001108200000000, -0.0000530100000000 ] - [ 0.0000064100000000, -0.0001187200000000, -0.0000702400000000 ] - [ 0.0006148000000000, 0.0001847500000000, 0.0008305800000000 ] - [ -0.0001038500000000, 0.0001987200000000, -0.0000000200000000 ] - [ -0.0004313800000000, 0.0000390500000000, -0.0002269600000000 ] - [ 0.0001878100000000, -0.0001705000000000, 0.0000921400000000 ] - [ 0.0000360200000000, 0.0000110200000000, 0.0001577200000000 ] - [ 0.0002438800000000, -0.0006470600000000, 0.0008930800000000 ] - [ 0.0236292900000000, 0.0039642800000000, -0.0998496000000000 ] - [ 0.0001998100000000, -0.0001980100000000, 0.0001681600000000 ] - [ -0.0002950200000000, -0.0000411300000000, 0.0001281300000000 ] - [ 0.0000761900000000, 0.0000938100000000, 0.0000678400000000 ] - [ 0.0001147300000000, -0.0001196000000000, -0.0001116500000000 ] - [ 0.0002698900000000, -0.0001417400000000, 0.0003249400000000 ] - [ -0.0002307700000000, -0.0001197400000000, -0.0002516200000000 ] - [ 0.0026944500000000, -0.0029134400000000, -0.0026352800000000 ] - [ 0.0001906900000000, -0.0001355500000000, 0.0001019400000000 ] - [ -0.0001306500000000, -0.0006282100000000, -0.0003036600000000 ] - [ 0.0004554100000000, -0.0002160200000000, -0.0003230400000000 ] - [ -0.0033560400000000, 0.0001664800000000, 0.0016758300000000 ] - [ 0.0000887900000000, -0.0001373600000000, -0.0001484900000000 ] - [ -0.0004751600000000, 0.0000742000000000, -0.0005255400000000 ] - [ -0.0002494000000000, 0.0004530500000000, -0.0004083500000000 ] - [ 0.0000068500000000, -0.0000045600000000, -0.0000520200000000 ] - [ -0.0013109300000000, 0.0009254000000000, -0.0003241100000000 ] - [ -0.0012198700000000, -0.0061194400000000, 0.0046956100000000 ] - [ 0.0000060800000000, 0.0000466700000000, 0.0001687600000000 ] - [ -0.0070831500000000, 0.0124686700000000, 0.0101120700000000 ] - [ -0.0000422300000000, -0.0004824900000000, -0.0000956900000000 ] - [ -0.0003066300000000, -0.0005474900000000, 0.0001154200000000 ] - [ -0.0001592400000000, 0.0000917000000000, 0.0002345600000000 ] - [ -0.0002353800000000, 0.0005196600000000, -0.0003422700000000 ] - [ 0.0000522900000000, -0.0002120200000000, 0.0000235100000000 ] - [ 0.0001650100000000, -0.0000386700000000, -0.0002729200000000 ] - [ -0.0001155200000000, 0.0000140000000000, -0.0000304100000000 ] - [ -0.0051254600000000, -0.0027124100000000, 0.0064230400000000 ] - [ -0.0006053200000000, 0.0001463500000000, 0.0004505500000000 ] - [ -0.0049237200000000, 0.0020603800000000, 0.0034528000000000 ] - [ 0.0000007100000000, -0.0000327800000000, 0.0001016300000000 ] - [ 0.0006317500000000, 0.0008817500000000, -0.0004540000000000 ] - [ -0.0001115200000000, 0.0001924200000000, 0.0000689700000000 ] - [ 0.0002019800000000, 0.0000704800000000, 0.0003490300000000 ] - [ -0.0001303300000000, -0.0000512600000000, -0.0005695800000000 ] - [ -0.0000528800000000, 0.0000025400000000, -0.0002353700000000 ] - [ -0.0000426100000000, 0.0002182600000000, 0.0000169200000000 ] - [ -0.0000572200000000, -0.0002770400000000, -0.0000217900000000 ] - [ -0.0005295200000000, -0.0008360000000000, 0.0008029800000000 ] - [ -0.0000290300000000, -0.0001517500000000, -0.0001391500000000 ] - [ -0.0002888200000000, -0.0000591200000000, 0.0002121400000000 ] - [ 0.0001276200000000, -0.0001471100000000, -0.0000890200000000 ] - [ 0.0000510500000000, 0.0002014700000000, 0.0003991700000000 ] - [ 0.0001524700000000, 0.0001755500000000, 0.0002451000000000 ] - [ -0.0002232700000000, 0.0002204900000000, -0.0002336000000000 ]- atom: 40 displacement: [ 0.0027030911372206, 0.0000000000000000, -0.0096277358866911 ] forces: - [ 0.0002048900000000, -0.0003686600000000, 0.0004343300000000 ] - [ 0.0005366000000000, 0.0014594100000000, -0.0018136800000000 ] - [ -0.0000947900000000, -0.0002041400000000, -0.0002510600000000 ] - [ 0.0000551000000000, 0.0001232900000000, 0.0001055600000000 ] - [ -0.0000585900000000, 0.0000225400000000, 0.0000945700000000 ] - [ -0.0000876400000000, 0.0002121500000000, 0.0005584800000000 ] - [ -0.0001788700000000, 0.0000481400000000, 0.0001434100000000 ] - [ 0.0001745300000000, -0.0003401100000000, 0.0001519000000000 ] - [ -0.0001010300000000, 0.0001115800000000, 0.0002663800000000 ] - [ -0.0002871400000000, 0.0006373400000000, 0.0002352800000000 ] - [ -0.0001999900000000, 0.0001071500000000, -0.0002677100000000 ] - [ 0.0000373400000000, -0.0001645200000000, -0.0001114800000000 ] - [ -0.0003717600000000, -0.0005592500000000, 0.0008689000000000 ] - [ 0.0000451600000000, -0.0002130800000000, 0.0002370100000000 ] - [ 0.0014187000000000, 0.0004265000000000, 0.0000425600000000 ] - [ -0.0001966000000000, -0.0001131000000000, 0.0000174900000000 ] - [ 0.0000929000000000, 0.0001971300000000, 0.0001023900000000 ] - [ 0.0002385000000000, -0.0003946100000000, -0.0001916200000000 ] - [ 0.0017362200000000, 0.0101304100000000, -0.0127545900000000 ] - [ -0.0010511400000000, -0.0006379600000000, 0.0008456100000000 ] - [ 0.0001706800000000, 0.0000808600000000, -0.0001875600000000 ] - [ 0.0006209600000000, -0.0042864800000000, -0.0664839300000000 ] - [ 0.0000627800000000, -0.0001559900000000, 0.0000408500000000 ] - [ -0.0000709200000000, 0.0001377200000000, 0.0002231300000000 ] - [ -0.0000249500000000, -0.0001199000000000, -0.0001697400000000 ] - [ 0.0001111300000000, -0.0001569500000000, -0.0001730200000000 ] - [ 0.0002120500000000, -0.0001229200000000, 0.0004167000000000 ] - [ 0.0001348400000000, -0.0003010500000000, 0.0001001100000000 ] - [ -0.0000720700000000, -0.0000471300000000, -0.0001681400000000 ] - [ 0.0000096100000000, -0.0001364800000000, 0.0001777700000000 ] - [ -0.0001529300000000, 0.0000965400000000, -0.0001331300000000 ] - [ 0.0000422400000000, -0.0001142800000000, -0.0000262100000000 ] - [ -0.0002698600000000, -0.0004976600000000, -0.0001335800000000 ] - [ -0.0003758800000000, 0.0001441200000000, -0.0011762200000000 ] - [ -0.0000242100000000, 0.0001221800000000, -0.0000670400000000 ] - [ 0.0000856700000000, 0.0002960000000000, 0.0000351500000000 ] - [ 0.0001584000000000, -0.0001689300000000, 0.0001057500000000 ] - [ -0.0001057100000000, 0.0002123800000000, -0.0000786600000000 ] - [ -0.0003137100000000, 0.0004504400000000, -0.0008314600000000 ] - [ -0.0234015600000000, -0.0028355100000000, 0.1031245600000000 ] - [ 0.0002003800000000, -0.0001860100000000, 0.0002268900000000 ] - [ 0.0002285200000000, 0.0003561100000000, -0.0004002800000000 ] - [ 0.0000774700000000, 0.0000755300000000, 0.0000981500000000 ] - [ 0.0000928200000000, -0.0001188300000000, -0.0000929700000000 ] - [ -0.0002069300000000, -0.0001603000000000, -0.0000579300000000 ] - [ -0.0001159000000000, -0.0002214100000000, 0.0000534500000000 ] - [ -0.0027140600000000, 0.0030053300000000, 0.0028522900000000 ] - [ 0.0001048900000000, -0.0001164500000000, 0.0001369500000000 ] - [ -0.0002280200000000, -0.0000366200000000, -0.0000361800000000 ] - [ -0.0007706900000000, -0.0000349500000000, 0.0000870000000000 ] - [ 0.0035705400000000, 0.0001558200000000, -0.0019723600000000 ] - [ 0.0000952600000000, -0.0001456700000000, -0.0001321100000000 ] - [ 0.0002701900000000, 0.0003232100000000, 0.0000263300000000 ] - [ -0.0001073600000000, 0.0002170500000000, 0.0000689200000000 ] - [ 0.0000224500000000, -0.0000185400000000, -0.0000467300000000 ] - [ 0.0014807800000000, -0.0010929300000000, 0.0004670100000000 ] - [ 0.0011061500000000, 0.0060890600000000, -0.0051792100000000 ] - [ -0.0001911000000000, -0.0003341000000000, 0.0001104600000000 ] - [ 0.0075384700000000, -0.0122532500000000, -0.0099359700000000 ] - [ -0.0001912700000000, 0.0001703800000000, 0.0004379500000000 ] - [ -0.0001732200000000, -0.0002450000000000, 0.0002147700000000 ] - [ -0.0000689100000000, 0.0002235000000000, 0.0001067200000000 ] - [ -0.0000278800000000, 0.0001006700000000, 0.0001353600000000 ] - [ 0.0000431700000000, -0.0001767700000000, 0.0000515200000000 ] - [ -0.0001801300000000, -0.0000476000000000, 0.0000602600000000 ] - [ -0.0000362100000000, 0.0001567200000000, -0.0001352600000000 ] - [ 0.0053613600000000, 0.0032232800000000, -0.0060342900000000 ] - [ 0.0008494900000000, 0.0000893100000000, -0.0006724000000000 ] - [ 0.0050590000000000, -0.0016854300000000, -0.0034045600000000 ] - [ 0.0000093500000000, -0.0000636800000000, 0.0001128100000000 ] - [ -0.0001834700000000, -0.0000916300000000, 0.0001588200000000 ] - [ -0.0000956400000000, 0.0000453300000000, 0.0001344300000000 ] - [ -0.0000870400000000, -0.0006425500000000, -0.0002824300000000 ] - [ 0.0002613300000000, 0.0000497600000000, 0.0010599700000000 ] - [ -0.0000686300000000, 0.0000035400000000, -0.0002380500000000 ] - [ -0.0000535300000000, 0.0001711000000000, -0.0000932400000000 ] - [ -0.0000528400000000, -0.0002890500000000, -0.0000401000000000 ] - [ 0.0003229400000000, 0.0006048800000000, -0.0006065000000000 ] - [ -0.0000485500000000, -0.0001547400000000, -0.0001301400000000 ] - [ 0.0002015500000000, -0.0003361100000000, -0.0002898800000000 ] - [ 0.0001007900000000, -0.0001160100000000, -0.0001354400000000 ] - [ 0.0000196700000000, 0.0000430000000000, -0.0000779200000000 ] - [ 0.0000535700000000, 0.0002230600000000, 0.0002487300000000 ] - [ -0.0001777100000000, 0.0001638100000000, -0.0001639000000000 ]- atom: 64 displacement: [ 0.0099998398488412, 0.0000000000000000, -0.0000565950309369 ] forces: - [ 0.0001862800000000, 0.0001901800000000, 0.0001967000000000 ] - [ 0.0001659400000000, 0.0001308100000000, 0.0001251800000000 ] - [ 0.0000963000000000, -0.0002110200000000, 0.0001626700000000 ] - [ 0.0013320600000000, 0.0005586600000000, -0.0005023400000000 ] - [ 0.0001880500000000, -0.0002510900000000, 0.0002507300000000 ] - [ -0.0000545500000000, 0.0002804100000000, -0.0000512800000000 ] - [ 0.0000130200000000, 0.0000889500000000, 0.0002487400000000 ] - [ -0.0009167600000000, -0.0017329000000000, 0.0007214100000000 ] - [ -0.0000012600000000, 0.0003084500000000, 0.0001813600000000 ] - [ 0.0003453200000000, 0.0002571100000000, -0.0001870600000000 ] - [ -0.0002448400000000, -0.0002697900000000, 0.0000684600000000 ] - [ -0.0000286700000000, -0.0001468400000000, -0.0000072100000000 ] - [ -0.0000705500000000, 0.0000633900000000, -0.0000177700000000 ] - [ 0.0000655100000000, -0.0002158200000000, 0.0002155500000000 ] - [ 0.0001282000000000, 0.0003053100000000, 0.0000924300000000 ] - [ -0.0000150600000000, -0.0001205600000000, -0.0000330400000000 ] - [ 0.0012034000000000, -0.0001614000000000, -0.0003251300000000 ] - [ 0.0002661500000000, -0.0008434300000000, 0.0017210600000000 ] - [ 0.0000292100000000, 0.0000292300000000, -0.0000492800000000 ] - [ -0.0000044000000000, -0.0000175700000000, 0.0000848400000000 ] - [ 0.0000918300000000, 0.0001678700000000, 0.0000649400000000 ] - [ 0.0000308900000000, 0.0001047400000000, -0.0000424400000000 ] - [ 0.0002762000000000, -0.0000433900000000, 0.0005429600000000 ] - [ -0.0000282500000000, 0.0000682500000000, 0.0004426600000000 ] - [ 0.0032030200000000, 0.0003370400000000, 0.0039386400000000 ] - [ 0.0006380800000000, -0.0002291700000000, 0.0000236500000000 ] - [ -0.0001717200000000, -0.0000857100000000, 0.0000467400000000 ] - [ -0.0001350200000000, -0.0006030900000000, -0.0000813300000000 ] - [ -0.0001817200000000, -0.0002312400000000, -0.0001651500000000 ] - [ -0.0001112800000000, -0.0001431800000000, 0.0000851300000000 ] - [ -0.0006710600000000, 0.0004643900000000, 0.0001408200000000 ] - [ 0.0791715800000000, 0.0113828000000000, -0.0248537900000000 ] - [ -0.0001120500000000, -0.0003270600000000, -0.0001174200000000 ] - [ 0.0001112100000000, 0.0001643900000000, -0.0001932900000000 ] - [ 0.0000241000000000, 0.0006107000000000, -0.0002261100000000 ] - [ -0.0000160000000000, 0.0001007300000000, 0.0000180000000000 ] - [ 0.0004777300000000, -0.0013157000000000, -0.0010584700000000 ] - [ 0.0005660700000000, -0.0005746800000000, 0.0005840800000000 ] - [ -0.0000264800000000, -0.0001310300000000, 0.0000311200000000 ] - [ 0.0001057600000000, 0.0001041100000000, -0.0000952600000000 ] - [ 0.0040580300000000, -0.0004756600000000, -0.0010367300000000 ] - [ -0.0000574100000000, 0.0001549600000000, -0.0001315700000000 ] - [ -0.0002909400000000, -0.0005452500000000, 0.0003349700000000 ] - [ 0.0031955700000000, 0.0018455700000000, -0.0043860000000000 ] - [ 0.0000130100000000, -0.0000764200000000, 0.0001849900000000 ] - [ -0.0001968700000000, -0.0001230700000000, -0.0000651900000000 ] - [ -0.0000045000000000, 0.0000415900000000, 0.0001077700000000 ] - [ -0.0012916300000000, 0.0016689600000000, 0.0008023100000000 ] - [ -0.0001148000000000, -0.0003653800000000, -0.0001897200000000 ] - [ -0.0001686900000000, -0.0001324900000000, -0.0001224800000000 ] - [ 0.0000899500000000, 0.0001569700000000, -0.0001477700000000 ] - [ 0.0238394200000000, -0.0107114800000000, 0.0224055300000000 ] - [ -0.0001095000000000, 0.0002212100000000, -0.0002176700000000 ] - [ -0.0001365400000000, 0.0003574800000000, -0.0002711100000000 ] - [ -0.0002914500000000, 0.0045410200000000, 0.0022490900000000 ] - [ 0.0000195400000000, -0.0001021400000000, 0.0000966500000000 ] - [ -0.0000450600000000, 0.0000003800000000, -0.0002485200000000 ] - [ -0.0000676600000000, -0.0000994500000000, 0.0000850900000000 ] - [ 0.0001741900000000, 0.0001687700000000, 0.0000960900000000 ] - [ -0.0000947800000000, -0.0001688900000000, 0.0001664900000000 ] - [ -0.0001471600000000, -0.0001955100000000, 0.0001216300000000 ] - [ -0.0000266200000000, 0.0002615500000000, 0.0004436100000000 ] - [ -0.0002664500000000, 0.0005478800000000, 0.0001575900000000 ] - [ -0.1285458000000000, -0.0127059100000000, -0.0036481400000000 ] - [ -0.0000008400000000, -0.0000530200000000, -0.0000961000000000 ] - [ 0.0000248200000000, -0.0000070100000000, 0.0001680400000000 ] - [ 0.0001840000000000, 0.0003324000000000, 0.0001737700000000 ] - [ 0.0001133100000000, 0.0001467000000000, -0.0000924200000000 ] - [ 0.0000592200000000, 0.0001952400000000, 0.0000394800000000 ] - [ 0.0023315800000000, -0.0003374200000000, -0.0002669500000000 ] - [ 0.0002371500000000, 0.0004010500000000, -0.0001570700000000 ] - [ -0.0002246400000000, -0.0000086100000000, -0.0001851500000000 ] - [ 0.0000485600000000, -0.0002517200000000, 0.0000655300000000 ] - [ 0.0000636300000000, 0.0000172600000000, 0.0002260800000000 ] - [ -0.0004656500000000, -0.0011174800000000, -0.0003408900000000 ] - [ -0.0000553800000000, 0.0001296500000000, -0.0000237400000000 ] - [ 0.0124241200000000, -0.0002160200000000, -0.0005545900000000 ] - [ -0.0001053200000000, -0.0000957600000000, 0.0001043400000000 ] - [ 0.0004290500000000, 0.0083312300000000, 0.0019391500000000 ] - [ -0.0000148800000000, -0.0002052400000000, -0.0000353700000000 ] - [ -0.0000743300000000, -0.0002956000000000, -0.0007317100000000 ] - [ -0.0003923700000000, 0.0000716800000000, 0.0002701800000000 ] - [ 0.0000652700000000, 0.0003299700000000, 0.0003890300000000 ] - [ -0.0001074100000000, 0.0003051300000000, 0.0003399800000000 ]- atom: 64 displacement: [ -0.0099998398488412, 0.0000000000000000, 0.0000565950309369 ] forces: - [ 0.0002095800000000, 0.0001889400000000, 0.0002109000000000 ] - [ 0.0001414100000000, 0.0001259400000000, 0.0001028500000000 ] - [ -0.0003144300000000, -0.0001882800000000, -0.0006641500000000 ] - [ -0.0012245700000000, -0.0002499100000000, 0.0007556200000000 ] - [ -0.0002227400000000, 0.0002927600000000, -0.0001538700000000 ] - [ -0.0000538200000000, 0.0002889200000000, 0.0000032400000000 ] - [ -0.0001964600000000, 0.0002057700000000, 0.0000367300000000 ] - [ 0.0012613500000000, 0.0011395500000000, -0.0004589300000000 ] - [ -0.0002210000000000, -0.0000250500000000, 0.0000603800000000 ] - [ -0.0008225000000000, 0.0005292200000000, 0.0005218500000000 ] - [ 0.0002420300000000, 0.0003644000000000, -0.0002971600000000 ] - [ -0.0000843100000000, -0.0001619100000000, -0.0000636800000000 ] - [ -0.0000089200000000, 0.0001693200000000, -0.0003074900000000 ] - [ 0.0001532500000000, -0.0001747800000000, 0.0002802800000000 ] - [ 0.0001285700000000, 0.0002973000000000, 0.0001063200000000 ] - [ -0.0001256500000000, -0.0000608600000000, -0.0001253700000000 ] - [ -0.0010633100000000, 0.0007305000000000, 0.0003558000000000 ] - [ 0.0001909600000000, 0.0000388600000000, -0.0021254100000000 ] - [ 0.0000023600000000, -0.0000044700000000, -0.0000521500000000 ] - [ -0.0000270100000000, -0.0000069900000000, 0.0000166200000000 ] - [ 0.0000219100000000, 0.0001409500000000, 0.0000071700000000 ] - [ 0.0000364300000000, 0.0001234700000000, -0.0000259100000000 ] - [ -0.0001505100000000, -0.0002664000000000, -0.0004601200000000 ] - [ 0.0001539400000000, -0.0000730200000000, 0.0000272700000000 ] - [ -0.0032312200000000, -0.0006341600000000, -0.0042254000000000 ] - [ -0.0004070700000000, -0.0000867400000000, -0.0003774500000000 ] - [ 0.0002531700000000, -0.0001482000000000, 0.0002782900000000 ] - [ 0.0003771600000000, 0.0000142000000000, 0.0002808900000000 ] - [ -0.0002142200000000, -0.0001479800000000, -0.0002412800000000 ] - [ -0.0001186100000000, -0.0001339200000000, 0.0001513300000000 ] - [ 0.0003632300000000, -0.0002043200000000, -0.0003597200000000 ] - [ -0.0828263400000000, -0.0124326000000000, 0.0259916200000000 ] - [ -0.0001452600000000, -0.0002749900000000, -0.0000801200000000 ] - [ 0.0001240700000000, 0.0001485100000000, -0.0001539300000000 ] - [ -0.0001432200000000, -0.0002996000000000, 0.0001534300000000 ] - [ -0.0003385700000000, 0.0002503100000000, -0.0002052700000000 ] - [ -0.0001159000000000, 0.0009549500000000, 0.0012814300000000 ] - [ -0.0006373200000000, 0.0008114100000000, -0.0005229000000000 ] - [ -0.0000406800000000, -0.0000982000000000, 0.0000381400000000 ] - [ 0.0001117600000000, 0.0001379400000000, -0.0001186600000000 ] - [ -0.0036425700000000, 0.0001167700000000, 0.0014399500000000 ] - [ -0.0000185300000000, 0.0001562700000000, -0.0001306200000000 ] - [ 0.0004431000000000, 0.0007292700000000, -0.0001997300000000 ] - [ -0.0031149800000000, -0.0021112900000000, 0.0042360900000000 ] - [ 0.0000628700000000, -0.0002348300000000, 0.0000783800000000 ] - [ -0.0001574900000000, -0.0002272900000000, -0.0001212600000000 ] - [ 0.0000150800000000, 0.0000479700000000, 0.0001205200000000 ] - [ 0.0015926400000000, -0.0019365100000000, -0.0005668100000000 ] - [ -0.0002299800000000, -0.0003006100000000, -0.0001430200000000 ] - [ -0.0001375300000000, -0.0001242600000000, -0.0001057000000000 ] - [ 0.0000885700000000, 0.0001302400000000, -0.0001401500000000 ] - [ -0.0234113100000000, 0.0100107500000000, -0.0220285000000000 ] - [ -0.0001095400000000, 0.0001697400000000, -0.0002776100000000 ] - [ -0.0002126900000000, 0.0003103800000000, -0.0000618700000000 ] - [ 0.0002927500000000, -0.0046458300000000, -0.0024031100000000 ] - [ 0.0001246600000000, -0.0000807000000000, 0.0000577800000000 ] - [ -0.0000800600000000, -0.0000079400000000, -0.0002211700000000 ] - [ -0.0001107100000000, -0.0001864600000000, 0.0002023200000000 ] - [ 0.0001807900000000, 0.0001805800000000, 0.0000903500000000 ] - [ -0.0001401200000000, -0.0001440500000000, 0.0001803000000000 ] - [ -0.0003372700000000, -0.0006032000000000, 0.0002184900000000 ] - [ -0.0002128900000000, 0.0000549500000000, -0.0000925500000000 ] - [ 0.0000090200000000, 0.0000547600000000, -0.0003581400000000 ] - [ 0.1323128100000000, 0.0137084200000000, 0.0019497500000000 ] - [ -0.0000102800000000, -0.0000368200000000, -0.0001319300000000 ] - [ -0.0001661900000000, 0.0001867200000000, -0.0003211300000000 ] - [ 0.0001605500000000, 0.0003351600000000, 0.0001581600000000 ] - [ 0.0001158700000000, 0.0001308900000000, -0.0001433800000000 ] - [ 0.0000377200000000, 0.0002008200000000, 0.0000332400000000 ] - [ -0.0023177300000000, 0.0002583700000000, 0.0004992100000000 ] - [ 0.0002504200000000, 0.0003952000000000, -0.0001837800000000 ] - [ 0.0000042100000000, 0.0002561900000000, 0.0004067900000000 ] - [ 0.0000575600000000, -0.0003177800000000, -0.0000165800000000 ] - [ 0.0000607000000000, -0.0000099600000000, 0.0002437200000000 ] - [ 0.0003383500000000, 0.0011294800000000, -0.0001429300000000 ] - [ -0.0000358800000000, 0.0002648100000000, -0.0000451200000000 ] - [ -0.0126830500000000, -0.0005014000000000, 0.0004791800000000 ] - [ -0.0001120400000000, -0.0001454300000000, 0.0001080300000000 ] - [ -0.0004984700000000, -0.0086231100000000, -0.0021869900000000 ] - [ -0.0000815700000000, -0.0001899400000000, -0.0000374400000000 ] - [ 0.0003037000000000, 0.0000256700000000, 0.0004876300000000 ] - [ 0.0004679100000000, 0.0001648300000000, 0.0000698700000000 ] - [ 0.0001526100000000, 0.0000601000000000, 0.0001053200000000 ] - [ -0.0002885400000000, 0.0000682600000000, -0.0007467900000000 ]- atom: 64 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002015800000000, 0.0001875000000000, 0.0001973900000000 ] - [ 0.0001654300000000, 0.0001338000000000, 0.0001269100000000 ] - [ -0.0000944600000000, -0.0002070100000000, -0.0006591100000000 ] - [ 0.0006296800000000, -0.0004949500000000, 0.0000586600000000 ] - [ 0.0002099900000000, -0.0003095800000000, 0.0000158800000000 ] - [ -0.0000530500000000, 0.0002771100000000, -0.0000160000000000 ] - [ 0.0000330500000000, 0.0000092900000000, -0.0000921400000000 ] - [ 0.0008848700000000, 0.0033431200000000, -0.0040078200000000 ] - [ 0.0000832400000000, 0.0000954100000000, 0.0002743900000000 ] - [ -0.0001425000000000, 0.0003968900000000, -0.0000632300000000 ] - [ -0.0004631400000000, 0.0013388000000000, 0.0006438200000000 ] - [ -0.0000291700000000, -0.0001387700000000, -0.0000240100000000 ] - [ -0.0000260000000000, 0.0001427600000000, -0.0001825300000000 ] - [ 0.0000928000000000, -0.0001579000000000, 0.0002868700000000 ] - [ 0.0001325700000000, 0.0003088600000000, 0.0001072900000000 ] - [ -0.0002110400000000, 0.0000874400000000, -0.0001780600000000 ] - [ -0.0002905800000000, 0.0001647000000000, -0.0000179000000000 ] - [ 0.0001693800000000, 0.0053751600000000, 0.0035277600000000 ] - [ -0.0000075500000000, -0.0000248500000000, -0.0000480100000000 ] - [ 0.0000061000000000, 0.0000174000000000, -0.0000581000000000 ] - [ 0.0000524400000000, 0.0001576700000000, 0.0000166100000000 ] - [ 0.0000207600000000, 0.0001083500000000, -0.0000345000000000 ] - [ -0.0009486600000000, -0.0001739700000000, -0.0001417200000000 ] - [ 0.0000887200000000, 0.0002786300000000, -0.0001856000000000 ] - [ -0.0012837500000000, -0.0030295700000000, -0.0009471900000000 ] - [ 0.0001720200000000, -0.0002467900000000, -0.0001373900000000 ] - [ 0.0000850400000000, -0.0001761800000000, 0.0004156600000000 ] - [ 0.0005196200000000, -0.0000092700000000, -0.0003386900000000 ] - [ -0.0002547300000000, -0.0002396200000000, -0.0001680900000000 ] - [ 0.0000924500000000, -0.0000910300000000, 0.0001072700000000 ] - [ 0.0008961000000000, 0.0006910100000000, 0.0003519600000000 ] - [ 0.0060094000000000, 0.0123901000000000, -0.0028272000000000 ] - [ -0.0000867200000000, -0.0003080200000000, -0.0001156200000000 ] - [ 0.0001053700000000, 0.0001573300000000, -0.0001675100000000 ] - [ 0.0000380300000000, 0.0002086900000000, -0.0002136300000000 ] - [ -0.0002860100000000, 0.0004792100000000, -0.0005388600000000 ] - [ 0.0001141300000000, 0.0004715400000000, 0.0004736200000000 ] - [ -0.0008911000000000, 0.0005772300000000, -0.0004114900000000 ] - [ -0.0000314000000000, -0.0000540000000000, 0.0000187900000000 ] - [ 0.0001134300000000, 0.0001294800000000, -0.0001187600000000 ] - [ -0.0000685700000000, 0.0016487700000000, 0.0012604500000000 ] - [ -0.0000172100000000, 0.0001531600000000, -0.0001262000000000 ] - [ -0.0003157100000000, -0.0008436300000000, 0.0020558700000000 ] - [ 0.0007025300000000, 0.0007863200000000, -0.0019113800000000 ] - [ -0.0000619000000000, -0.0001007900000000, 0.0003075200000000 ] - [ -0.0001863400000000, -0.0001198300000000, -0.0000931000000000 ] - [ -0.0000064700000000, 0.0000389600000000, 0.0001039100000000 ] - [ 0.0018705400000000, -0.0015533400000000, -0.0007981100000000 ] - [ -0.0001803600000000, -0.0003398600000000, -0.0001630200000000 ] - [ -0.0000954800000000, -0.0001340000000000, -0.0001213200000000 ] - [ 0.0000856000000000, 0.0001213200000000, -0.0001587800000000 ] - [ -0.0091308400000000, 0.0238912700000000, -0.0206270600000000 ] - [ -0.0001013200000000, 0.0001886200000000, -0.0002523400000000 ] - [ -0.0002494700000000, 0.0005523800000000, -0.0000832800000000 ] - [ 0.0086779100000000, 0.0021977200000000, -0.0012547800000000 ] - [ 0.0001035300000000, -0.0001034000000000, 0.0000837600000000 ] - [ -0.0000648100000000, -0.0000088700000000, -0.0002119000000000 ] - [ -0.0001370000000000, -0.0001964200000000, 0.0002169600000000 ] - [ 0.0001698600000000, 0.0001754000000000, 0.0000533900000000 ] - [ -0.0001498500000000, -0.0001913700000000, 0.0001682800000000 ] - [ -0.0001573900000000, -0.0004615300000000, 0.0004712900000000 ] - [ -0.0000022900000000, 0.0001868500000000, 0.0000337600000000 ] - [ -0.0003302700000000, 0.0000925000000000, -0.0001711700000000 ] - [ -0.0135320400000000, -0.1344818200000000, -0.0038302300000000 ] - [ 0.0000468700000000, -0.0000296100000000, -0.0001096900000000 ] - [ -0.0001223200000000, 0.0006260800000000, -0.0000534100000000 ] - [ 0.0001608900000000, 0.0003238000000000, 0.0001636600000000 ] - [ 0.0001214400000000, 0.0001566000000000, -0.0001303100000000 ] - [ 0.0000510600000000, 0.0002363900000000, 0.0000398700000000 ] - [ -0.0001641500000000, 0.0040766200000000, 0.0008052400000000 ] - [ 0.0002465900000000, 0.0004134800000000, -0.0001560000000000 ] - [ 0.0001718800000000, 0.0000327000000000, 0.0000357800000000 ] - [ -0.0001010100000000, -0.0002008100000000, -0.0002088000000000 ] - [ 0.0000093000000000, -0.0000252800000000, 0.0002535200000000 ] - [ -0.0000459600000000, 0.0004628100000000, -0.0003786100000000 ] - [ -0.0001153500000000, -0.0000249500000000, 0.0001368300000000 ] - [ 0.0045682400000000, 0.0813263500000000, 0.0335625400000000 ] - [ -0.0001012500000000, -0.0001447500000000, 0.0001289700000000 ] - [ 0.0027460500000000, -0.0004564500000000, -0.0028293200000000 ] - [ -0.0000404000000000, -0.0002255800000000, -0.0000481900000000 ] - [ -0.0002736400000000, -0.0002988800000000, -0.0001569500000000 ] - [ 0.0002036300000000, 0.0000169900000000, -0.0000449300000000 ] - [ 0.0002691300000000, 0.0001699400000000, 0.0000997900000000 ] - [ -0.0002700800000000, 0.0002001300000000, -0.0009922800000000 ]- atom: 64 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001952200000000, 0.0001933200000000, 0.0001973000000000 ] - [ 0.0001322600000000, 0.0001211600000000, 0.0001108900000000 ] - [ -0.0001180800000000, -0.0001898300000000, 0.0001683600000000 ] - [ -0.0005643100000000, 0.0008091700000000, 0.0002245800000000 ] - [ -0.0002382400000000, 0.0003294100000000, 0.0000847400000000 ] - [ -0.0000587200000000, 0.0002849700000000, -0.0000455600000000 ] - [ -0.0002223000000000, 0.0002774400000000, 0.0003749700000000 ] - [ -0.0004563400000000, -0.0040706600000000, 0.0044016300000000 ] - [ -0.0003211100000000, 0.0001594800000000, -0.0000568400000000 ] - [ -0.0003304600000000, 0.0004033800000000, 0.0003939700000000 ] - [ 0.0004557800000000, -0.0012788300000000, -0.0008779000000000 ] - [ -0.0000981500000000, -0.0001852600000000, -0.0000383900000000 ] - [ -0.0000446600000000, 0.0001018200000000, -0.0001329100000000 ] - [ 0.0001150500000000, -0.0002396400000000, 0.0002026300000000 ] - [ 0.0001287100000000, 0.0003046300000000, 0.0000957600000000 ] - [ 0.0000580300000000, -0.0002551900000000, 0.0000118600000000 ] - [ 0.0004017600000000, 0.0003932500000000, 0.0000817400000000 ] - [ 0.0002955700000000, -0.0060748000000000, -0.0038031900000000 ] - [ 0.0000376300000000, 0.0000475900000000, -0.0000511800000000 ] - [ -0.0000355800000000, -0.0000384000000000, 0.0001566400000000 ] - [ 0.0000753200000000, 0.0001648100000000, 0.0000470700000000 ] - [ 0.0000481600000000, 0.0001160000000000, -0.0000437300000000 ] - [ 0.0010588300000000, -0.0001418300000000, 0.0001857200000000 ] - [ 0.0000247400000000, -0.0002817400000000, 0.0006569800000000 ] - [ 0.0011474200000000, 0.0027947900000000, 0.0005808900000000 ] - [ 0.0000627100000000, -0.0000701900000000, -0.0002153200000000 ] - [ -0.0000163100000000, -0.0000687400000000, -0.0000997900000000 ] - [ -0.0002589300000000, -0.0006013200000000, 0.0005501400000000 ] - [ -0.0001431800000000, -0.0001431300000000, -0.0002259900000000 ] - [ -0.0003180500000000, -0.0001721900000000, 0.0001149100000000 ] - [ -0.0012002000000000, -0.0004651600000000, -0.0005940100000000 ] - [ -0.0059197500000000, -0.0124112300000000, 0.0027904900000000 ] - [ -0.0001756600000000, -0.0003064900000000, -0.0000875500000000 ] - [ 0.0001243800000000, 0.0001587600000000, -0.0001761200000000 ] - [ -0.0001700900000000, 0.0001168400000000, 0.0001560200000000 ] - [ -0.0000519100000000, -0.0001564800000000, 0.0003484300000000 ] - [ 0.0002467500000000, -0.0008251200000000, -0.0002876400000000 ] - [ 0.0008102800000000, -0.0003448800000000, 0.0004810400000000 ] - [ -0.0000377800000000, -0.0001690800000000, 0.0000613300000000 ] - [ 0.0000958100000000, 0.0001080600000000, -0.0000847100000000 ] - [ 0.0004835400000000, -0.0020030800000000, -0.0008547200000000 ] - [ -0.0000573900000000, 0.0001552600000000, -0.0001427100000000 ] - [ 0.0004740700000000, 0.0010209600000000, -0.0018578100000000 ] - [ -0.0005233000000000, -0.0009928000000000, 0.0016379700000000 ] - [ 0.0001359400000000, -0.0002071000000000, -0.0000384400000000 ] - [ -0.0001561500000000, -0.0002198300000000, -0.0001075300000000 ] - [ 0.0000141000000000, 0.0000558200000000, 0.0001107500000000 ] - [ -0.0015759800000000, 0.0012972000000000, 0.0010412000000000 ] - [ -0.0001736200000000, -0.0003322900000000, -0.0001737500000000 ] - [ -0.0002015100000000, -0.0001213000000000, -0.0001168300000000 ] - [ 0.0000987600000000, 0.0001629900000000, -0.0001256600000000 ] - [ 0.0096988300000000, -0.0244551500000000, 0.0209482800000000 ] - [ -0.0001063500000000, 0.0002093900000000, -0.0002373800000000 ] - [ -0.0001025900000000, 0.0001160200000000, -0.0002518700000000 ] - [ -0.0086886500000000, -0.0022623800000000, 0.0011526300000000 ] - [ 0.0000503700000000, -0.0000664700000000, 0.0000834800000000 ] - [ -0.0000569900000000, 0.0000031600000000, -0.0002614500000000 ] - [ -0.0000470400000000, -0.0000873600000000, 0.0000679700000000 ] - [ 0.0001745800000000, 0.0001647400000000, 0.0001477700000000 ] - [ -0.0000792400000000, -0.0001258700000000, 0.0001754600000000 ] - [ -0.0003196500000000, -0.0003320000000000, -0.0001457600000000 ] - [ -0.0002233000000000, 0.0001386200000000, 0.0003141100000000 ] - [ 0.0000655900000000, 0.0005235400000000, -0.0000162700000000 ] - [ 0.0129080400000000, 0.1304017900000000, 0.0018021800000000 ] - [ -0.0000541600000000, -0.0000651700000000, -0.0001050800000000 ] - [ -0.0000252600000000, -0.0004412800000000, -0.0000921400000000 ] - [ 0.0001914600000000, 0.0003462800000000, 0.0001725300000000 ] - [ 0.0001087700000000, 0.0001070800000000, -0.0000943100000000 ] - [ 0.0000466900000000, 0.0001557000000000, 0.0000351400000000 ] - [ 0.0001677100000000, -0.0041700900000000, -0.0005925700000000 ] - [ 0.0002276200000000, 0.0003836400000000, -0.0001729200000000 ] - [ -0.0003888100000000, 0.0002044500000000, 0.0001638500000000 ] - [ 0.0002161500000000, -0.0003609100000000, 0.0002719300000000 ] - [ 0.0001099600000000, 0.0000285800000000, 0.0002189900000000 ] - [ -0.0000674300000000, -0.0004677500000000, -0.0000837200000000 ] - [ 0.0000175000000000, 0.0004185100000000, -0.0002159600000000 ] - [ -0.0042726900000000, -0.0781719100000000, -0.0321707000000000 ] - [ -0.0001077300000000, -0.0000933900000000, 0.0000753100000000 ] - [ -0.0028218500000000, 0.0001861300000000, 0.0025265800000000 ] - [ -0.0000565800000000, -0.0001668000000000, -0.0000267300000000 ] - [ 0.0004943800000000, 0.0000308800000000, -0.0000748600000000 ] - [ -0.0001316800000000, 0.0002279700000000, 0.0003577800000000 ] - [ -0.0000598000000000, 0.0002288800000000, 0.0003912300000000 ] - [ -0.0001208900000000, 0.0001806500000000, 0.0006067800000000 ]- atom: 64 displacement: [ -0.0027030911372206, 0.0000000000000000, 0.0096277358866911 ] forces: - [ 0.0002126300000000, 0.0001738600000000, 0.0002100100000000 ] - [ 0.0001270300000000, 0.0001482500000000, 0.0001006000000000 ] - [ 0.0000363400000000, 0.0002416800000000, 0.0001171400000000 ] - [ -0.0009316000000000, -0.0001094700000000, 0.0016279400000000 ] - [ -0.0003242200000000, 0.0001880300000000, -0.0007658300000000 ] - [ -0.0000616800000000, 0.0002843000000000, -0.0000397500000000 ] - [ -0.0002502400000000, 0.0002104800000000, 0.0000258600000000 ] - [ -0.0046792300000000, -0.0064699700000000, 0.0069939800000000 ] - [ -0.0001655600000000, -0.0000501200000000, 0.0000198900000000 ] - [ -0.0001892800000000, 0.0003773500000000, 0.0001844700000000 ] - [ 0.0001459100000000, 0.0009140000000000, -0.0004952000000000 ] - [ -0.0001696700000000, -0.0001916000000000, -0.0000379500000000 ] - [ -0.0000223300000000, 0.0001752000000000, -0.0002328900000000 ] - [ 0.0001224400000000, -0.0001454800000000, 0.0003538500000000 ] - [ 0.0001462200000000, 0.0003227800000000, 0.0001185000000000 ] - [ -0.0001191200000000, 0.0000941100000000, -0.0001084400000000 ] - [ -0.0009032100000000, 0.0004453800000000, -0.0004187400000000 ] - [ 0.0013419100000000, 0.0073409100000000, 0.0017319600000000 ] - [ 0.0000061900000000, 0.0000205900000000, -0.0000864200000000 ] - [ -0.0000013200000000, -0.0000381600000000, -0.0000655100000000 ] - [ 0.0000527900000000, 0.0001584100000000, 0.0000250300000000 ] - [ 0.0000322600000000, 0.0001080500000000, -0.0000489300000000 ] - [ -0.0004455000000000, -0.0003027300000000, 0.0000058500000000 ] - [ -0.0000141000000000, 0.0000552600000000, 0.0000923900000000 ] - [ 0.0044467100000000, 0.0040874800000000, 0.0068583600000000 ] - [ 0.0001292200000000, 0.0001917000000000, -0.0005057600000000 ] - [ 0.0001747400000000, 0.0000171400000000, 0.0000845700000000 ] - [ -0.0002901600000000, -0.0001611600000000, 0.0011513000000000 ] - [ -0.0002789300000000, -0.0001964700000000, -0.0002394300000000 ] - [ 0.0002862600000000, -0.0002113200000000, -0.0000426400000000 ] - [ 0.0000377300000000, 0.0008419300000000, 0.0013421000000000 ] - [ -0.0329370700000000, -0.0023773600000000, 0.0203697800000000 ] - [ -0.0001626200000000, -0.0002606100000000, -0.0000580300000000 ] - [ 0.0001192900000000, 0.0001467400000000, -0.0001614400000000 ] - [ -0.0005704500000000, -0.0000916500000000, 0.0006418800000000 ] - [ -0.0002129400000000, -0.0001685400000000, 0.0000589300000000 ] - [ 0.0014461300000000, 0.0001589100000000, 0.0026582100000000 ] - [ 0.0002106100000000, -0.0000876200000000, 0.0009337600000000 ] - [ 0.0000243100000000, -0.0000495200000000, 0.0000198800000000 ] - [ 0.0001046000000000, 0.0001177200000000, -0.0001080700000000 ] - [ -0.0018242100000000, 0.0003853500000000, 0.0008782800000000 ] - [ -0.0000410800000000, 0.0001413600000000, -0.0001340000000000 ] - [ 0.0006461500000000, -0.0019788000000000, 0.0028570100000000 ] - [ -0.0052603100000000, -0.0041017500000000, 0.0032697700000000 ] - [ 0.0000113700000000, -0.0001251000000000, 0.0001249600000000 ] - [ -0.0001201900000000, -0.0001981800000000, -0.0000908700000000 ] - [ 0.0000031100000000, 0.0000471200000000, 0.0000931200000000 ] - [ 0.0014972400000000, -0.0012758800000000, -0.0018013800000000 ] - [ -0.0001171700000000, -0.0003525500000000, -0.0001529700000000 ] - [ -0.0001239300000000, -0.0001070600000000, -0.0001089900000000 ] - [ 0.0001008700000000, 0.0001242200000000, -0.0001545000000000 ] - [ 0.0075105000000000, -0.0110941600000000, 0.0217538900000000 ] - [ -0.0000961400000000, 0.0001835600000000, -0.0002651200000000 ] - [ -0.0002937900000000, 0.0002110700000000, 0.0000063400000000 ] - [ 0.0026484900000000, -0.0033801000000000, -0.0029838800000000 ] - [ 0.0000766000000000, -0.0000572500000000, 0.0001517700000000 ] - [ -0.0000642800000000, 0.0000081100000000, -0.0002312500000000 ] - [ -0.0001601100000000, -0.0002747500000000, 0.0000952000000000 ] - [ 0.0001703000000000, 0.0001768000000000, 0.0000847100000000 ] - [ -0.0002112400000000, -0.0002296200000000, 0.0001535600000000 ] - [ -0.0003593800000000, -0.0001280900000000, -0.0003042300000000 ] - [ 0.0000540500000000, 0.0007924900000000, 0.0006736000000000 ] - [ 0.0000454200000000, 0.0002004900000000, 0.0001473500000000 ] - [ 0.0322318900000000, 0.0010004700000000, -0.0836045000000000 ] - [ 0.0000622600000000, -0.0000154900000000, -0.0001268300000000 ] - [ 0.0002869300000000, 0.0013478100000000, 0.0015161600000000 ] - [ 0.0001806600000000, 0.0003425700000000, 0.0001646900000000 ] - [ 0.0000936300000000, 0.0001488700000000, -0.0001430600000000 ] - [ 0.0000530000000000, 0.0001977800000000, 0.0000116100000000 ] - [ -0.0006313900000000, 0.0007899400000000, 0.0011243200000000 ] - [ 0.0002484100000000, 0.0003846500000000, -0.0001705900000000 ] - [ -0.0001618400000000, 0.0003057500000000, 0.0003948700000000 ] - [ 0.0000233100000000, -0.0001754500000000, -0.0000087300000000 ] - [ -0.0001176600000000, -0.0001653300000000, 0.0004701500000000 ] - [ 0.0003269700000000, 0.0003030300000000, -0.0002044200000000 ] - [ -0.0000430200000000, 0.0003895600000000, -0.0005211200000000 ] - [ -0.0049126400000000, 0.0150028200000000, 0.0179360200000000 ] - [ -0.0000447600000000, -0.0001075200000000, 0.0001627700000000 ] - [ 0.0016980500000000, -0.0042532400000000, -0.0032877100000000 ] - [ -0.0000616700000000, -0.0001867500000000, -0.0001348000000000 ] - [ -0.0001225800000000, -0.0003830400000000, 0.0001606300000000 ] - [ 0.0002280000000000, -0.0000531900000000, 0.0003232300000000 ] - [ 0.0003872700000000, -0.0000649900000000, 0.0001451100000000 ] - [ -0.0002911800000000, 0.0003159800000000, -0.0005813800000000 ]- atom: 64 displacement: [ 0.0027030911372206, 0.0000000000000000, -0.0096277358866911 ] forces: - [ 0.0001825000000000, 0.0002043700000000, 0.0001810200000000 ] - [ 0.0001714500000000, 0.0001053000000000, 0.0001271200000000 ] - [ -0.0002427600000000, -0.0006397900000000, -0.0006126300000000 ] - [ 0.0009914700000000, 0.0004130700000000, -0.0013674800000000 ] - [ 0.0002860000000000, -0.0001543400000000, 0.0008922400000000 ] - [ -0.0000509800000000, 0.0002778000000000, -0.0000261900000000 ] - [ 0.0000619100000000, 0.0000794100000000, 0.0002625400000000 ] - [ 0.0049975900000000, 0.0057252800000000, -0.0065717900000000 ] - [ -0.0000585000000000, 0.0003181000000000, 0.0002072100000000 ] - [ -0.0002975900000000, 0.0004117400000000, 0.0001477700000000 ] - [ -0.0001545500000000, -0.0008292500000000, 0.0002949700000000 ] - [ 0.0000380600000000, -0.0001338000000000, -0.0000272000000000 ] - [ -0.0000489600000000, 0.0000691700000000, -0.0000846300000000 ] - [ 0.0000831000000000, -0.0002518700000000, 0.0001387200000000 ] - [ 0.0001162900000000, 0.0002968100000000, 0.0000890600000000 ] - [ -0.0000290400000000, -0.0002714400000000, -0.0000635000000000 ] - [ 0.0010392100000000, 0.0001248800000000, 0.0004935200000000 ] - [ -0.0008579300000000, -0.0081013300000000, -0.0020509300000000 ] - [ 0.0000253800000000, 0.0000058900000000, -0.0000266300000000 ] - [ -0.0000294500000000, 0.0000133700000000, 0.0001785100000000 ] - [ 0.0000776200000000, 0.0001663300000000, 0.0000413100000000 ] - [ 0.0000336000000000, 0.0001110800000000, -0.0000345800000000 ] - [ 0.0005704300000000, -0.0000199300000000, 0.0000581600000000 ] - [ 0.0001276200000000, -0.0000540300000000, 0.0003954900000000 ] - [ -0.0044706800000000, -0.0043095200000000, -0.0071190700000000 ] - [ 0.0000985700000000, -0.0005222300000000, 0.0001539400000000 ] - [ -0.0000997800000000, -0.0002610200000000, 0.0002283000000000 ] - [ 0.0005441600000000, -0.0004417600000000, -0.0009387700000000 ] - [ -0.0001188300000000, -0.0001825600000000, -0.0001508800000000 ] - [ -0.0005086500000000, -0.0000514500000000, 0.0002653600000000 ] - [ -0.0003347100000000, -0.0005715400000000, -0.0015772900000000 ] - [ 0.0323717300000000, 0.0020486600000000, -0.0206468600000000 ] - [ -0.0001001400000000, -0.0003584300000000, -0.0001484000000000 ] - [ 0.0001145500000000, 0.0001734100000000, -0.0001815400000000 ] - [ 0.0004601300000000, 0.0004162300000000, -0.0007248100000000 ] - [ -0.0001226500000000, 0.0005120400000000, -0.0002719900000000 ] - [ -0.0010709900000000, -0.0005005100000000, -0.0024229500000000 ] - [ -0.0002690500000000, 0.0002954100000000, -0.0008598700000000 ] - [ -0.0000910600000000, -0.0001699300000000, 0.0000660300000000 ] - [ 0.0001007300000000, 0.0001142900000000, -0.0000882400000000 ] - [ 0.0022435700000000, -0.0007755400000000, -0.0004877200000000 ] - [ -0.0000354100000000, 0.0001674000000000, -0.0001452500000000 ] - [ -0.0004681700000000, 0.0021660900000000, -0.0026736700000000 ] - [ 0.0053531000000000, 0.0037885400000000, -0.0034197100000000 ] - [ 0.0000647400000000, -0.0001842600000000, 0.0001542000000000 ] - [ -0.0002163700000000, -0.0001404300000000, -0.0001151900000000 ] - [ 0.0000000600000000, 0.0000466100000000, 0.0001165500000000 ] - [ -0.0012086100000000, 0.0010247200000000, 0.0020388200000000 ] - [ -0.0002430900000000, -0.0003212500000000, -0.0001886300000000 ] - [ -0.0001732900000000, -0.0001467900000000, -0.0001183400000000 ] - [ 0.0000882400000000, 0.0001646700000000, -0.0001290400000000 ] - [ -0.0068735300000000, 0.0104238200000000, -0.0218570300000000 ] - [ -0.0001091700000000, 0.0002147300000000, -0.0002269200000000 ] - [ -0.0000650100000000, 0.0004597600000000, -0.0003526700000000 ] - [ -0.0026590900000000, 0.0033424000000000, 0.0028757600000000 ] - [ 0.0000749900000000, -0.0001174600000000, 0.0000130400000000 ] - [ -0.0000499400000000, -0.0000048000000000, -0.0002471200000000 ] - [ -0.0000290800000000, -0.0000149600000000, 0.0001888400000000 ] - [ 0.0001690500000000, 0.0001608100000000, 0.0001226400000000 ] - [ -0.0000234800000000, -0.0000912100000000, 0.0001893700000000 ] - [ -0.0001173000000000, -0.0006669500000000, 0.0006239300000000 ] - [ -0.0002864700000000, -0.0004889800000000, -0.0003370100000000 ] - [ -0.0003161900000000, 0.0004148200000000, -0.0003624400000000 ] - [ -0.0319212200000000, -0.0007402900000000, 0.0837683300000000 ] - [ -0.0000665800000000, -0.0000783800000000, -0.0000812600000000 ] - [ -0.0004371600000000, -0.0011609600000000, -0.0016674400000000 ] - [ 0.0001779200000000, 0.0003300600000000, 0.0001770800000000 ] - [ 0.0001339800000000, 0.0001144200000000, -0.0000793500000000 ] - [ 0.0000445100000000, 0.0001921600000000, 0.0000540100000000 ] - [ 0.0006584500000000, -0.0008962900000000, -0.0009261200000000 ] - [ 0.0002277300000000, 0.0004088800000000, -0.0001562100000000 ] - [ -0.0000426600000000, -0.0000738100000000, -0.0002015100000000 ] - [ 0.0000890100000000, -0.0003859800000000, 0.0000767300000000 ] - [ 0.0002279900000000, 0.0001599900000000, 0.0000071600000000 ] - [ -0.0004430700000000, -0.0003124700000000, -0.0002751700000000 ] - [ -0.0000550500000000, 0.0000048100000000, 0.0004666600000000 ] - [ 0.0048157000000000, -0.0156400300000000, -0.0183212600000000 ] - [ -0.0001598500000000, -0.0001234400000000, 0.0000330300000000 ] - [ -0.0017767000000000, 0.0039630900000000, 0.0030273300000000 ] - [ -0.0000363400000000, -0.0002025900000000, 0.0000683900000000 ] - [ 0.0003527700000000, 0.0001281400000000, -0.0003804600000000 ] - [ -0.0001521000000000, 0.0003081300000000, -0.0000151100000000 ] - [ -0.0001876100000000, 0.0004687900000000, 0.0003459600000000 ] - [ -0.0001050700000000, 0.0000561200000000, 0.0001917600000000 ]