# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/d3135510-f860-44de-ba7f-f9a6afcdab31/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 Ba4Sb4Se11 / Pnnm (58) / materials id 28238](https://mdr.nims.go.jp/datasets/dc77bb9a-9eef-4de7-b74a-fb48f3b4c123) ## 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: "Pnnm" number: 58 Hall_symbol: "-P 2 2n"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 8.907551399999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 27.637937969999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.075221950000000 ] # c points: - symbol: Se # 1 coordinates: [ 0.099480280000000, 0.470575880000000, 0.500000000000000 ] mass: 78.960000 - symbol: Se # 2 coordinates: [ 0.599480280000000, 0.029424120000000, 0.000000000000000 ] mass: 78.960000 - symbol: Se # 3 coordinates: [ 0.900519720000000, 0.529424120000000, 0.500000000000000 ] mass: 78.960000 - symbol: Se # 4 coordinates: [ 0.400519720000000, 0.970575880000000, 0.000000000000000 ] mass: 78.960000 - symbol: Se # 5 coordinates: [ 0.269513640000000, 0.263369910000000, 0.500000000000000 ] mass: 78.960000 - symbol: Se # 6 coordinates: [ 0.769513640000000, 0.236630090000000, 0.000000000000000 ] mass: 78.960000 - symbol: Se # 7 coordinates: [ 0.730486360000000, 0.736630090000000, 0.500000000000000 ] mass: 78.960000 - symbol: Se # 8 coordinates: [ 0.230486360000000, 0.763369910000000, 0.000000000000000 ] mass: 78.960000 - symbol: Se # 9 coordinates: [ 0.500000000000000, 0.500000000000000, 0.794539390000000 ] mass: 78.960000 - symbol: Se # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.705460610000000 ] mass: 78.960000 - symbol: Se # 11 coordinates: [ 0.500000000000000, 0.500000000000000, 0.205460610000000 ] mass: 78.960000 - symbol: Se # 12 coordinates: [ 0.000000000000000, 0.000000000000000, 0.294539390000000 ] mass: 78.960000 - symbol: Se # 13 coordinates: [ 0.599926820000000, 0.031058040000000, 0.500000000000000 ] mass: 78.960000 - symbol: Se # 14 coordinates: [ 0.099926820000000, 0.468941960000000, 0.000000000000000 ] mass: 78.960000 - symbol: Se # 15 coordinates: [ 0.400073180000000, 0.968941960000000, 0.500000000000000 ] mass: 78.960000 - symbol: Se # 16 coordinates: [ 0.900073180000000, 0.531058040000000, 0.000000000000000 ] mass: 78.960000 - symbol: Se # 17 coordinates: [ 0.786153070000000, 0.239302390000000, 0.500000000000000 ] mass: 78.960000 - symbol: Se # 18 coordinates: [ 0.286153070000000, 0.260697610000000, 0.000000000000000 ] mass: 78.960000 - symbol: Se # 19 coordinates: [ 0.310090170000000, 0.384859410000000, 0.287532000000000 ] mass: 78.960000 - symbol: Se # 20 coordinates: [ 0.213846930000000, 0.760697610000000, 0.500000000000000 ] mass: 78.960000 - symbol: Se # 21 coordinates: [ 0.688978430000000, 0.374291220000000, 0.500000000000000 ] mass: 78.960000 - symbol: Se # 22 coordinates: [ 0.188978430000000, 0.125708780000000, 0.000000000000000 ] mass: 78.960000 - symbol: Se # 23 coordinates: [ 0.311021570000000, 0.625708780000000, 0.500000000000000 ] mass: 78.960000 - symbol: Se # 24 coordinates: [ 0.811021570000000, 0.874291220000000, 0.000000000000000 ] mass: 78.960000 - symbol: Se # 25 coordinates: [ 0.150583150000000, 0.120191180000000, 0.500000000000000 ] mass: 78.960000 - symbol: Se # 26 coordinates: [ 0.650583150000000, 0.379808820000000, 0.000000000000000 ] mass: 78.960000 - symbol: Se # 27 coordinates: [ 0.849416850000000, 0.879808820000000, 0.500000000000000 ] mass: 78.960000 - symbol: Se # 28 coordinates: [ 0.349416850000000, 0.620191180000000, 0.000000000000000 ] mass: 78.960000 - symbol: Se # 29 coordinates: [ 0.689909830000000, 0.615140590000000, 0.712468000000000 ] mass: 78.960000 - symbol: Se # 30 coordinates: [ 0.189909830000000, 0.884859410000000, 0.787532000000000 ] mass: 78.960000 - symbol: Se # 31 coordinates: [ 0.310090170000000, 0.384859410000000, 0.712468000000000 ] mass: 78.960000 - symbol: Se # 32 coordinates: [ 0.810090170000000, 0.115140590000000, 0.787532000000000 ] mass: 78.960000 - symbol: Se # 33 coordinates: [ 0.549316300000000, 0.824792700000000, 0.274618870000000 ] mass: 78.960000 - symbol: Se # 34 coordinates: [ 0.049316300000000, 0.675207300000000, 0.225381130000000 ] mass: 78.960000 - symbol: Se # 35 coordinates: [ 0.450683700000000, 0.175207300000000, 0.274618870000000 ] mass: 78.960000 - symbol: Se # 36 coordinates: [ 0.950683700000000, 0.324792700000000, 0.225381130000000 ] mass: 78.960000 - symbol: Se # 37 coordinates: [ 0.450683700000000, 0.175207300000000, 0.725381130000000 ] mass: 78.960000 - symbol: Se # 38 coordinates: [ 0.950683700000000, 0.324792700000000, 0.774618870000000 ] mass: 78.960000 - symbol: Se # 39 coordinates: [ 0.549316300000000, 0.824792700000000, 0.725381130000000 ] mass: 78.960000 - symbol: Se # 40 coordinates: [ 0.049316300000000, 0.675207300000000, 0.774618870000000 ] mass: 78.960000 - symbol: Se # 41 coordinates: [ 0.189909830000000, 0.884859410000000, 0.212468000000000 ] mass: 78.960000 - symbol: Se # 42 coordinates: [ 0.689909830000000, 0.615140590000000, 0.287532000000000 ] mass: 78.960000 - symbol: Se # 43 coordinates: [ 0.810090170000000, 0.115140590000000, 0.212468000000000 ] mass: 78.960000 - symbol: Se # 44 coordinates: [ 0.713846930000000, 0.739302390000000, 0.000000000000000 ] mass: 78.960000 - symbol: Sb # 45 coordinates: [ 0.913111970000000, 0.065632070000000, 0.500000000000000 ] mass: 121.760000 - symbol: Sb # 46 coordinates: [ 0.413111970000000, 0.434367930000000, 0.000000000000000 ] mass: 121.760000 - symbol: Sb # 47 coordinates: [ 0.086888030000000, 0.934367930000000, 0.500000000000000 ] mass: 121.760000 - symbol: Sb # 48 coordinates: [ 0.586888030000000, 0.565632070000000, 0.000000000000000 ] mass: 121.760000 - symbol: Sb # 49 coordinates: [ 0.452617560000000, 0.429710330000000, 0.500000000000000 ] mass: 121.760000 - symbol: Sb # 50 coordinates: [ 0.952617560000000, 0.070289670000000, 0.000000000000000 ] mass: 121.760000 - symbol: Sb # 51 coordinates: [ 0.547382440000000, 0.570289670000000, 0.500000000000000 ] mass: 121.760000 - symbol: Sb # 52 coordinates: [ 0.047382440000000, 0.929710330000000, 0.000000000000000 ] mass: 121.760000 - symbol: Sb # 53 coordinates: [ 0.120687010000000, 0.343044700000000, 0.500000000000000 ] mass: 121.760000 - symbol: Sb # 54 coordinates: [ 0.620687010000000, 0.156955300000000, 0.000000000000000 ] mass: 121.760000 - symbol: Sb # 55 coordinates: [ 0.879312990000000, 0.656955300000000, 0.500000000000000 ] mass: 121.760000 - symbol: Sb # 56 coordinates: [ 0.379312990000000, 0.843044700000000, 0.000000000000000 ] mass: 121.760000 - symbol: Sb # 57 coordinates: [ 0.631168270000000, 0.159991430000000, 0.500000000000000 ] mass: 121.760000 - symbol: Sb # 58 coordinates: [ 0.131168270000000, 0.340008570000000, 0.000000000000000 ] mass: 121.760000 - symbol: Sb # 59 coordinates: [ 0.368831730000000, 0.840008570000000, 0.500000000000000 ] mass: 121.760000 - symbol: Sb # 60 coordinates: [ 0.868831730000000, 0.659991430000000, 0.000000000000000 ] mass: 121.760000 - symbol: Ba # 61 coordinates: [ 0.657753460000000, 0.941563900000000, 0.746883580000000 ] mass: 137.327000 - symbol: Ba # 62 coordinates: [ 0.157753460000000, 0.558436100000000, 0.753116420000000 ] mass: 137.327000 - symbol: Ba # 63 coordinates: [ 0.342246540000000, 0.058436100000000, 0.746883580000000 ] mass: 137.327000 - symbol: Ba # 64 coordinates: [ 0.842246540000000, 0.441563900000000, 0.753116420000000 ] mass: 137.327000 - symbol: Ba # 65 coordinates: [ 0.342246540000000, 0.058436100000000, 0.253116420000000 ] mass: 137.327000 - symbol: Ba # 66 coordinates: [ 0.842246540000000, 0.441563900000000, 0.246883580000000 ] mass: 137.327000 - symbol: Ba # 67 coordinates: [ 0.657753460000000, 0.941563900000000, 0.253116420000000 ] mass: 137.327000 - symbol: Ba # 68 coordinates: [ 0.157753460000000, 0.558436100000000, 0.246883580000000 ] mass: 137.327000 - symbol: Ba # 69 coordinates: [ 0.440925870000000, 0.708408030000000, 0.747567480000000 ] mass: 137.327000 - symbol: Ba # 70 coordinates: [ 0.940925870000000, 0.791591970000000, 0.752432520000000 ] mass: 137.327000 - symbol: Ba # 71 coordinates: [ 0.559074130000000, 0.291591970000000, 0.747567480000000 ] mass: 137.327000 - symbol: Ba # 72 coordinates: [ 0.059074130000000, 0.208408030000000, 0.752432520000000 ] mass: 137.327000 - symbol: Ba # 73 coordinates: [ 0.559074130000000, 0.291591970000000, 0.252432520000000 ] mass: 137.327000 - symbol: Ba # 74 coordinates: [ 0.059074130000000, 0.208408030000000, 0.247567480000000 ] mass: 137.327000 - symbol: Ba # 75 coordinates: [ 0.440925870000000, 0.708408030000000, 0.252432520000000 ] mass: 137.327000 - symbol: Ba # 76 coordinates: [ 0.940925870000000, 0.791591970000000, 0.247567480000000 ] mass: 137.327000 reciprocal_lattice: # without 2pi - [ 0.112264297458895, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.036182149373280, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.110190142512162 ] # c*unit_cell: lattice: - [ 8.907551399999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 27.637937969999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.075221950000000 ] # c points: - symbol: Se # 1 coordinates: [ 0.099480280000000, 0.470575880000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 2 coordinates: [ 0.599480280000000, 0.029424120000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 2 - symbol: Se # 3 coordinates: [ 0.900519720000000, 0.529424120000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 3 - symbol: Se # 4 coordinates: [ 0.400519720000000, 0.970575880000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 4 - symbol: Se # 5 coordinates: [ 0.269513640000000, 0.263369910000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 5 - symbol: Se # 6 coordinates: [ 0.769513640000000, 0.236630090000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 6 - symbol: Se # 7 coordinates: [ 0.730486360000000, 0.736630090000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 7 - symbol: Se # 8 coordinates: [ 0.230486360000000, 0.763369910000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 8 - symbol: Se # 9 coordinates: [ 0.500000000000000, 0.500000000000000, 0.794539390000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.705460610000000 ] mass: 78.960000 reduced_to: 10 - symbol: Se # 11 coordinates: [ 0.500000000000000, 0.500000000000000, 0.205460610000000 ] mass: 78.960000 reduced_to: 11 - symbol: Se # 12 coordinates: [ 0.000000000000000, 0.000000000000000, 0.294539390000000 ] mass: 78.960000 reduced_to: 12 - symbol: Se # 13 coordinates: [ 0.599926820000000, 0.031058040000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 13 - symbol: Se # 14 coordinates: [ 0.099926820000000, 0.468941960000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 14 - symbol: Se # 15 coordinates: [ 0.400073180000000, 0.968941960000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 15 - symbol: Se # 16 coordinates: [ 0.900073180000000, 0.531058040000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 16 - symbol: Se # 17 coordinates: [ 0.786153070000000, 0.239302390000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 18 coordinates: [ 0.286153070000000, 0.260697610000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 18 - symbol: Se # 19 coordinates: [ 0.310090170000000, 0.384859410000000, 0.287532000000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 20 coordinates: [ 0.213846930000000, 0.760697610000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 20 - symbol: Se # 21 coordinates: [ 0.688978430000000, 0.374291220000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 21 - symbol: Se # 22 coordinates: [ 0.188978430000000, 0.125708780000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 22 - symbol: Se # 23 coordinates: [ 0.311021570000000, 0.625708780000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 23 - symbol: Se # 24 coordinates: [ 0.811021570000000, 0.874291220000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 24 - symbol: Se # 25 coordinates: [ 0.150583150000000, 0.120191180000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 26 coordinates: [ 0.650583150000000, 0.379808820000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 26 - symbol: Se # 27 coordinates: [ 0.849416850000000, 0.879808820000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 27 - symbol: Se # 28 coordinates: [ 0.349416850000000, 0.620191180000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 28 - symbol: Se # 29 coordinates: [ 0.689909830000000, 0.615140590000000, 0.712468000000000 ] mass: 78.960000 reduced_to: 29 - symbol: Se # 30 coordinates: [ 0.189909830000000, 0.884859410000000, 0.787532000000000 ] mass: 78.960000 reduced_to: 30 - symbol: Se # 31 coordinates: [ 0.310090170000000, 0.384859410000000, 0.712468000000000 ] mass: 78.960000 reduced_to: 31 - symbol: Se # 32 coordinates: [ 0.810090170000000, 0.115140590000000, 0.787532000000000 ] mass: 78.960000 reduced_to: 32 - symbol: Se # 33 coordinates: [ 0.549316300000000, 0.824792700000000, 0.274618870000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 34 coordinates: [ 0.049316300000000, 0.675207300000000, 0.225381130000000 ] mass: 78.960000 reduced_to: 34 - symbol: Se # 35 coordinates: [ 0.450683700000000, 0.175207300000000, 0.274618870000000 ] mass: 78.960000 reduced_to: 35 - symbol: Se # 36 coordinates: [ 0.950683700000000, 0.324792700000000, 0.225381130000000 ] mass: 78.960000 reduced_to: 36 - symbol: Se # 37 coordinates: [ 0.450683700000000, 0.175207300000000, 0.725381130000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 38 coordinates: [ 0.950683700000000, 0.324792700000000, 0.774618870000000 ] mass: 78.960000 reduced_to: 38 - symbol: Se # 39 coordinates: [ 0.549316300000000, 0.824792700000000, 0.725381130000000 ] mass: 78.960000 reduced_to: 39 - symbol: Se # 40 coordinates: [ 0.049316300000000, 0.675207300000000, 0.774618870000000 ] mass: 78.960000 reduced_to: 40 - symbol: Se # 41 coordinates: [ 0.189909830000000, 0.884859410000000, 0.212468000000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 42 coordinates: [ 0.689909830000000, 0.615140590000000, 0.287532000000000 ] mass: 78.960000 reduced_to: 42 - symbol: Se # 43 coordinates: [ 0.810090170000000, 0.115140590000000, 0.212468000000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 44 coordinates: [ 0.713846930000000, 0.739302390000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 44 - symbol: Sb # 45 coordinates: [ 0.913111970000000, 0.065632070000000, 0.500000000000000 ] mass: 121.760000 reduced_to: 45 - symbol: Sb # 46 coordinates: [ 0.413111970000000, 0.434367930000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 46 - symbol: Sb # 47 coordinates: [ 0.086888030000000, 0.934367930000000, 0.500000000000000 ] mass: 121.760000 reduced_to: 47 - symbol: Sb # 48 coordinates: [ 0.586888030000000, 0.565632070000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 48 - symbol: Sb # 49 coordinates: [ 0.452617560000000, 0.429710330000000, 0.500000000000000 ] mass: 121.760000 reduced_to: 49 - symbol: Sb # 50 coordinates: [ 0.952617560000000, 0.070289670000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 50 - symbol: Sb # 51 coordinates: [ 0.547382440000000, 0.570289670000000, 0.500000000000000 ] mass: 121.760000 reduced_to: 51 - symbol: Sb # 52 coordinates: [ 0.047382440000000, 0.929710330000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 52 - symbol: Sb # 53 coordinates: [ 0.120687010000000, 0.343044700000000, 0.500000000000000 ] mass: 121.760000 reduced_to: 53 - symbol: Sb # 54 coordinates: [ 0.620687010000000, 0.156955300000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 54 - symbol: Sb # 55 coordinates: [ 0.879312990000000, 0.656955300000000, 0.500000000000000 ] mass: 121.760000 reduced_to: 55 - symbol: Sb # 56 coordinates: [ 0.379312990000000, 0.843044700000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 56 - symbol: Sb # 57 coordinates: [ 0.631168270000000, 0.159991430000000, 0.500000000000000 ] mass: 121.760000 reduced_to: 57 - symbol: Sb # 58 coordinates: [ 0.131168270000000, 0.340008570000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 58 - symbol: Sb # 59 coordinates: [ 0.368831730000000, 0.840008570000000, 0.500000000000000 ] mass: 121.760000 reduced_to: 59 - symbol: Sb # 60 coordinates: [ 0.868831730000000, 0.659991430000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 60 - symbol: Ba # 61 coordinates: [ 0.657753460000000, 0.941563900000000, 0.746883580000000 ] mass: 137.327000 reduced_to: 61 - symbol: Ba # 62 coordinates: [ 0.157753460000000, 0.558436100000000, 0.753116420000000 ] mass: 137.327000 reduced_to: 62 - symbol: Ba # 63 coordinates: [ 0.342246540000000, 0.058436100000000, 0.746883580000000 ] mass: 137.327000 reduced_to: 63 - symbol: Ba # 64 coordinates: [ 0.842246540000000, 0.441563900000000, 0.753116420000000 ] mass: 137.327000 reduced_to: 64 - symbol: Ba # 65 coordinates: [ 0.342246540000000, 0.058436100000000, 0.253116420000000 ] mass: 137.327000 reduced_to: 65 - symbol: Ba # 66 coordinates: [ 0.842246540000000, 0.441563900000000, 0.246883580000000 ] mass: 137.327000 reduced_to: 66 - symbol: Ba # 67 coordinates: [ 0.657753460000000, 0.941563900000000, 0.253116420000000 ] mass: 137.327000 reduced_to: 67 - symbol: Ba # 68 coordinates: [ 0.157753460000000, 0.558436100000000, 0.246883580000000 ] mass: 137.327000 reduced_to: 68 - symbol: Ba # 69 coordinates: [ 0.440925870000000, 0.708408030000000, 0.747567480000000 ] mass: 137.327000 reduced_to: 69 - symbol: Ba # 70 coordinates: [ 0.940925870000000, 0.791591970000000, 0.752432520000000 ] mass: 137.327000 reduced_to: 70 - symbol: Ba # 71 coordinates: [ 0.559074130000000, 0.291591970000000, 0.747567480000000 ] mass: 137.327000 reduced_to: 71 - symbol: Ba # 72 coordinates: [ 0.059074130000000, 0.208408030000000, 0.752432520000000 ] mass: 137.327000 reduced_to: 72 - symbol: Ba # 73 coordinates: [ 0.559074130000000, 0.291591970000000, 0.252432520000000 ] mass: 137.327000 reduced_to: 73 - symbol: Ba # 74 coordinates: [ 0.059074130000000, 0.208408030000000, 0.247567480000000 ] mass: 137.327000 reduced_to: 74 - symbol: Ba # 75 coordinates: [ 0.440925870000000, 0.708408030000000, 0.252432520000000 ] mass: 137.327000 reduced_to: 75 - symbol: Ba # 76 coordinates: [ 0.940925870000000, 0.791591970000000, 0.247567480000000 ] mass: 137.327000 reduced_to: 76supercell: lattice: - [ 8.907551399999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 27.637937969999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.075221950000000 ] # c points: - symbol: Se # 1 coordinates: [ 0.099480280000000, 0.470575880000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 1 - symbol: Se # 2 coordinates: [ 0.599480280000000, 0.029424120000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 2 - symbol: Se # 3 coordinates: [ 0.900519720000000, 0.529424120000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 3 - symbol: Se # 4 coordinates: [ 0.400519720000000, 0.970575880000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 4 - symbol: Se # 5 coordinates: [ 0.269513640000000, 0.263369910000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 5 - symbol: Se # 6 coordinates: [ 0.769513640000000, 0.236630090000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 6 - symbol: Se # 7 coordinates: [ 0.730486360000000, 0.736630090000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 7 - symbol: Se # 8 coordinates: [ 0.230486360000000, 0.763369910000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 8 - symbol: Se # 9 coordinates: [ 0.500000000000000, 0.500000000000000, 0.794539390000000 ] mass: 78.960000 reduced_to: 9 - symbol: Se # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.705460610000000 ] mass: 78.960000 reduced_to: 10 - symbol: Se # 11 coordinates: [ 0.500000000000000, 0.500000000000000, 0.205460610000000 ] mass: 78.960000 reduced_to: 11 - symbol: Se # 12 coordinates: [ 0.000000000000000, 0.000000000000000, 0.294539390000000 ] mass: 78.960000 reduced_to: 12 - symbol: Se # 13 coordinates: [ 0.599926820000000, 0.031058040000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 13 - symbol: Se # 14 coordinates: [ 0.099926820000000, 0.468941960000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 14 - symbol: Se # 15 coordinates: [ 0.400073180000000, 0.968941960000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 15 - symbol: Se # 16 coordinates: [ 0.900073180000000, 0.531058040000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 16 - symbol: Se # 17 coordinates: [ 0.786153070000000, 0.239302390000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 17 - symbol: Se # 18 coordinates: [ 0.286153070000000, 0.260697610000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 18 - symbol: Se # 19 coordinates: [ 0.310090170000000, 0.384859410000000, 0.287532000000000 ] mass: 78.960000 reduced_to: 19 - symbol: Se # 20 coordinates: [ 0.213846930000000, 0.760697610000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 20 - symbol: Se # 21 coordinates: [ 0.688978430000000, 0.374291220000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 21 - symbol: Se # 22 coordinates: [ 0.188978430000000, 0.125708780000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 22 - symbol: Se # 23 coordinates: [ 0.311021570000000, 0.625708780000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 23 - symbol: Se # 24 coordinates: [ 0.811021570000000, 0.874291220000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 24 - symbol: Se # 25 coordinates: [ 0.150583150000000, 0.120191180000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 25 - symbol: Se # 26 coordinates: [ 0.650583150000000, 0.379808820000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 26 - symbol: Se # 27 coordinates: [ 0.849416850000000, 0.879808820000000, 0.500000000000000 ] mass: 78.960000 reduced_to: 27 - symbol: Se # 28 coordinates: [ 0.349416850000000, 0.620191180000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 28 - symbol: Se # 29 coordinates: [ 0.689909830000000, 0.615140590000000, 0.712468000000000 ] mass: 78.960000 reduced_to: 29 - symbol: Se # 30 coordinates: [ 0.189909830000000, 0.884859410000000, 0.787532000000000 ] mass: 78.960000 reduced_to: 30 - symbol: Se # 31 coordinates: [ 0.310090170000000, 0.384859410000000, 0.712468000000000 ] mass: 78.960000 reduced_to: 31 - symbol: Se # 32 coordinates: [ 0.810090170000000, 0.115140590000000, 0.787532000000000 ] mass: 78.960000 reduced_to: 32 - symbol: Se # 33 coordinates: [ 0.549316300000000, 0.824792700000000, 0.274618870000000 ] mass: 78.960000 reduced_to: 33 - symbol: Se # 34 coordinates: [ 0.049316300000000, 0.675207300000000, 0.225381130000000 ] mass: 78.960000 reduced_to: 34 - symbol: Se # 35 coordinates: [ 0.450683700000000, 0.175207300000000, 0.274618870000000 ] mass: 78.960000 reduced_to: 35 - symbol: Se # 36 coordinates: [ 0.950683700000000, 0.324792700000000, 0.225381130000000 ] mass: 78.960000 reduced_to: 36 - symbol: Se # 37 coordinates: [ 0.450683700000000, 0.175207300000000, 0.725381130000000 ] mass: 78.960000 reduced_to: 37 - symbol: Se # 38 coordinates: [ 0.950683700000000, 0.324792700000000, 0.774618870000000 ] mass: 78.960000 reduced_to: 38 - symbol: Se # 39 coordinates: [ 0.549316300000000, 0.824792700000000, 0.725381130000000 ] mass: 78.960000 reduced_to: 39 - symbol: Se # 40 coordinates: [ 0.049316300000000, 0.675207300000000, 0.774618870000000 ] mass: 78.960000 reduced_to: 40 - symbol: Se # 41 coordinates: [ 0.189909830000000, 0.884859410000000, 0.212468000000000 ] mass: 78.960000 reduced_to: 41 - symbol: Se # 42 coordinates: [ 0.689909830000000, 0.615140590000000, 0.287532000000000 ] mass: 78.960000 reduced_to: 42 - symbol: Se # 43 coordinates: [ 0.810090170000000, 0.115140590000000, 0.212468000000000 ] mass: 78.960000 reduced_to: 43 - symbol: Se # 44 coordinates: [ 0.713846930000000, 0.739302390000000, 0.000000000000000 ] mass: 78.960000 reduced_to: 44 - symbol: Sb # 45 coordinates: [ 0.913111970000000, 0.065632070000000, 0.500000000000000 ] mass: 121.760000 reduced_to: 45 - symbol: Sb # 46 coordinates: [ 0.413111970000000, 0.434367930000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 46 - symbol: Sb # 47 coordinates: [ 0.086888030000000, 0.934367930000000, 0.500000000000000 ] mass: 121.760000 reduced_to: 47 - symbol: Sb # 48 coordinates: [ 0.586888030000000, 0.565632070000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 48 - symbol: Sb # 49 coordinates: [ 0.452617560000000, 0.429710330000000, 0.500000000000000 ] mass: 121.760000 reduced_to: 49 - symbol: Sb # 50 coordinates: [ 0.952617560000000, 0.070289670000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 50 - symbol: Sb # 51 coordinates: [ 0.547382440000000, 0.570289670000000, 0.500000000000000 ] mass: 121.760000 reduced_to: 51 - symbol: Sb # 52 coordinates: [ 0.047382440000000, 0.929710330000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 52 - symbol: Sb # 53 coordinates: [ 0.120687010000000, 0.343044700000000, 0.500000000000000 ] mass: 121.760000 reduced_to: 53 - symbol: Sb # 54 coordinates: [ 0.620687010000000, 0.156955300000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 54 - symbol: Sb # 55 coordinates: [ 0.879312990000000, 0.656955300000000, 0.500000000000000 ] mass: 121.760000 reduced_to: 55 - symbol: Sb # 56 coordinates: [ 0.379312990000000, 0.843044700000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 56 - symbol: Sb # 57 coordinates: [ 0.631168270000000, 0.159991430000000, 0.500000000000000 ] mass: 121.760000 reduced_to: 57 - symbol: Sb # 58 coordinates: [ 0.131168270000000, 0.340008570000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 58 - symbol: Sb # 59 coordinates: [ 0.368831730000000, 0.840008570000000, 0.500000000000000 ] mass: 121.760000 reduced_to: 59 - symbol: Sb # 60 coordinates: [ 0.868831730000000, 0.659991430000000, 0.000000000000000 ] mass: 121.760000 reduced_to: 60 - symbol: Ba # 61 coordinates: [ 0.657753460000000, 0.941563900000000, 0.746883580000000 ] mass: 137.327000 reduced_to: 61 - symbol: Ba # 62 coordinates: [ 0.157753460000000, 0.558436100000000, 0.753116420000000 ] mass: 137.327000 reduced_to: 62 - symbol: Ba # 63 coordinates: [ 0.342246540000000, 0.058436100000000, 0.746883580000000 ] mass: 137.327000 reduced_to: 63 - symbol: Ba # 64 coordinates: [ 0.842246540000000, 0.441563900000000, 0.753116420000000 ] mass: 137.327000 reduced_to: 64 - symbol: Ba # 65 coordinates: [ 0.342246540000000, 0.058436100000000, 0.253116420000000 ] mass: 137.327000 reduced_to: 65 - symbol: Ba # 66 coordinates: [ 0.842246540000000, 0.441563900000000, 0.246883580000000 ] mass: 137.327000 reduced_to: 66 - symbol: Ba # 67 coordinates: [ 0.657753460000000, 0.941563900000000, 0.253116420000000 ] mass: 137.327000 reduced_to: 67 - symbol: Ba # 68 coordinates: [ 0.157753460000000, 0.558436100000000, 0.246883580000000 ] mass: 137.327000 reduced_to: 68 - symbol: Ba # 69 coordinates: [ 0.440925870000000, 0.708408030000000, 0.747567480000000 ] mass: 137.327000 reduced_to: 69 - symbol: Ba # 70 coordinates: [ 0.940925870000000, 0.791591970000000, 0.752432520000000 ] mass: 137.327000 reduced_to: 70 - symbol: Ba # 71 coordinates: [ 0.559074130000000, 0.291591970000000, 0.747567480000000 ] mass: 137.327000 reduced_to: 71 - symbol: Ba # 72 coordinates: [ 0.059074130000000, 0.208408030000000, 0.752432520000000 ] mass: 137.327000 reduced_to: 72 - symbol: Ba # 73 coordinates: [ 0.559074130000000, 0.291591970000000, 0.252432520000000 ] mass: 137.327000 reduced_to: 73 - symbol: Ba # 74 coordinates: [ 0.059074130000000, 0.208408030000000, 0.247567480000000 ] mass: 137.327000 reduced_to: 74 - symbol: Ba # 75 coordinates: [ 0.440925870000000, 0.708408030000000, 0.252432520000000 ] mass: 137.327000 reduced_to: 75 - symbol: Ba # 76 coordinates: [ 0.940925870000000, 0.791591970000000, 0.247567480000000 ] mass: 137.327000 reduced_to: 76displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0697926200000000, 0.0439350900000000, 0.0000000000000000 ] - [ 0.0006572600000000, 0.0008182200000000, 0.0000000000000000 ] - [ 0.0485276600000000, -0.0428704400000000, 0.0000000000000000 ] - [ -0.0006615100000000, -0.0007783300000000, 0.0000000000000000 ] - [ -0.0001648200000000, 0.0002705500000000, 0.0000000000000000 ] - [ -0.0001580200000000, -0.0002237200000000, 0.0000000000000000 ] - [ 0.0000779700000000, -0.0002053300000000, 0.0000000000000000 ] - [ 0.0001990800000000, 0.0003186500000000, 0.0000000000000000 ] - [ 0.0003100800000000, -0.0003829000000000, -0.0000257700000000 ] - [ -0.0000050800000000, 0.0000386900000000, 0.0001375600000000 ] - [ 0.0003100800000000, -0.0003829000000000, 0.0000257700000000 ] - [ -0.0000050800000000, 0.0000386900000000, -0.0001375600000000 ] - [ 0.0002140100000000, 0.0006117500000000, 0.0000000000000000 ] - [ -0.0003303100000000, -0.0010141400000000, 0.0000000000000000 ] - [ -0.0002311600000000, -0.0005864900000000, 0.0000000000000000 ] - [ -0.0007762800000000, -0.0002550100000000, 0.0000000000000000 ] - [ -0.0002945900000000, 0.0000298200000000, 0.0000000000000000 ] - [ -0.0003397500000000, -0.0000185000000000, 0.0000000000000000 ] - [ 0.0010863600000000, -0.0021086300000000, -0.0015313600000000 ] - [ 0.0002472400000000, 0.0000472800000000, 0.0000000000000000 ] - [ 0.0021268900000000, -0.0017045200000000, 0.0000000000000000 ] - [ -0.0000184300000000, 0.0001808600000000, 0.0000000000000000 ] - [ 0.0012341700000000, 0.0006251200000000, 0.0000000000000000 ] - [ 0.0000177500000000, -0.0001351500000000, 0.0000000000000000 ] - [ 0.0003061100000000, 0.0001153600000000, 0.0000000000000000 ] - [ 0.0010269300000000, 0.0005064800000000, 0.0000000000000000 ] - [ -0.0002925500000000, -0.0000659300000000, 0.0000000000000000 ] - [ 0.0009215500000000, 0.0007446300000000, 0.0000000000000000 ] - [ 0.0007288100000000, -0.0006604900000000, 0.0000861100000000 ] - [ 0.0003401700000000, 0.0001092700000000, -0.0002495800000000 ] - [ 0.0010863600000000, -0.0021086300000000, 0.0015313600000000 ] - [ -0.0003519100000000, -0.0000546100000000, -0.0002327700000000 ] - [ 0.0002620200000000, 0.0001194100000000, 0.0001932900000000 ] - [ 0.0001533800000000, 0.0003271100000000, -0.0002198700000000 ] - [ -0.0002462000000000, -0.0000762400000000, 0.0001916200000000 ] - [ -0.0003948800000000, 0.0002156000000000, -0.0002438200000000 ] - [ -0.0002462000000000, -0.0000762400000000, -0.0001916200000000 ] - [ -0.0003948800000000, 0.0002156000000000, 0.0002438200000000 ] - [ 0.0002620200000000, 0.0001194100000000, -0.0001932900000000 ] - [ 0.0001533800000000, 0.0003271100000000, 0.0002198700000000 ] - [ 0.0003401700000000, 0.0001092700000000, 0.0002495800000000 ] - [ 0.0007288100000000, -0.0006604900000000, -0.0000861100000000 ] - [ -0.0003519100000000, -0.0000546100000000, 0.0002327700000000 ] - [ 0.0002562400000000, -0.0000312400000000, 0.0000000000000000 ] - [ -0.0002942900000000, 0.0000607200000000, 0.0000000000000000 ] - [ -0.0008063100000000, 0.0005349000000000, 0.0000000000000000 ] - [ 0.0003012800000000, -0.0001531000000000, 0.0000000000000000 ] - [ 0.0001100900000000, 0.0002848800000000, 0.0000000000000000 ] - [ 0.0019537400000000, 0.0014997000000000, 0.0000000000000000 ] - [ 0.0003234000000000, -0.0002991400000000, 0.0000000000000000 ] - [ -0.0006322700000000, 0.0000510100000000, 0.0000000000000000 ] - [ -0.0003349200000000, 0.0002469400000000, 0.0000000000000000 ] - [ 0.0002735100000000, 0.0008438100000000, 0.0000000000000000 ] - [ -0.0001693800000000, 0.0001527400000000, 0.0000000000000000 ] - [ 0.0002927200000000, -0.0001762500000000, 0.0000000000000000 ] - [ 0.0001663700000000, -0.0002716400000000, 0.0000000000000000 ] - [ -0.0002027800000000, 0.0000097900000000, 0.0000000000000000 ] - [ 0.0002798500000000, -0.0001108000000000, 0.0000000000000000 ] - [ 0.0001880900000000, -0.0001100700000000, 0.0000000000000000 ] - [ 0.0003169600000000, 0.0000962100000000, 0.0000000000000000 ] - [ 0.0001798900000000, -0.0001070300000000, 0.0002206800000000 ] - [ 0.0006956300000000, 0.0003343500000000, -0.0003772300000000 ] - [ -0.0001749500000000, 0.0000552700000000, 0.0002128400000000 ] - [ 0.0053188300000000, 0.0010606500000000, -0.0045301500000000 ] - [ -0.0001749500000000, 0.0000552700000000, -0.0002128400000000 ] - [ 0.0053188300000000, 0.0010606500000000, 0.0045301500000000 ] - [ 0.0001798900000000, -0.0001070300000000, -0.0002206800000000 ] - [ 0.0006956300000000, 0.0003343500000000, 0.0003772300000000 ] - [ -0.0001388400000000, -0.0002448600000000, 0.0000361900000000 ] - [ -0.0000316200000000, 0.0001613900000000, 0.0000320400000000 ] - [ -0.0000567900000000, 0.0000303700000000, -0.0000805500000000 ] - [ 0.0000656700000000, -0.0003047000000000, 0.0000203200000000 ] - [ -0.0000567900000000, 0.0000303700000000, 0.0000805500000000 ] - [ 0.0000656700000000, -0.0003047000000000, -0.0000203200000000 ] - [ -0.0001388400000000, -0.0002448600000000, -0.0000361900000000 ] - [ -0.0000316200000000, 0.0001613900000000, -0.0000320400000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0726650700000000, -0.0469714900000000, 0.0000000000000000 ] - [ 0.0006700800000000, 0.0007738800000000, 0.0000000000000000 ] - [ -0.0512450700000000, 0.0461289000000000, 0.0000000000000000 ] - [ -0.0006655100000000, -0.0008123300000000, 0.0000000000000000 ] - [ -0.0001743400000000, 0.0002740600000000, 0.0000000000000000 ] - [ -0.0001668800000000, -0.0003066500000000, 0.0000000000000000 ] - [ 0.0002467500000000, -0.0003201800000000, 0.0000000000000000 ] - [ 0.0001268300000000, 0.0002126200000000, 0.0000000000000000 ] - [ -0.0003083100000000, 0.0003756200000000, -0.0002480500000000 ] - [ 0.0000050900000000, -0.0000363900000000, 0.0001399400000000 ] - [ -0.0003083100000000, 0.0003756200000000, 0.0002480500000000 ] - [ 0.0000050900000000, -0.0000363900000000, -0.0001399400000000 ] - [ 0.0002235500000000, 0.0005704200000000, 0.0000000000000000 ] - [ 0.0007659800000000, -0.0001713500000000, 0.0000000000000000 ] - [ -0.0002064400000000, -0.0005935300000000, 0.0000000000000000 ] - [ 0.0003414600000000, 0.0014386000000000, 0.0000000000000000 ] - [ -0.0002339800000000, -0.0000907200000000, 0.0000000000000000 ] - [ -0.0001928200000000, 0.0000804100000000, 0.0000000000000000 ] - [ -0.0017678800000000, 0.0022020500000000, 0.0010094700000000 ] - [ 0.0002844800000000, 0.0000211900000000, 0.0000000000000000 ] - [ -0.0021532000000000, 0.0013477900000000, 0.0000000000000000 ] - [ -0.0000327600000000, 0.0001506800000000, 0.0000000000000000 ] - [ -0.0011971600000000, -0.0002746400000000, 0.0000000000000000 ] - [ 0.0000337600000000, -0.0001947000000000, 0.0000000000000000 ] - [ 0.0002987600000000, 0.0001014300000000, 0.0000000000000000 ] - [ -0.0004304000000000, -0.0007376700000000, 0.0000000000000000 ] - [ -0.0003106500000000, -0.0001485200000000, 0.0000000000000000 ] - [ -0.0015301400000000, -0.0005306400000000, 0.0000000000000000 ] - [ -0.0000312900000000, 0.0005249500000000, 0.0004065300000000 ] - [ 0.0003606500000000, 0.0000364900000000, -0.0002351600000000 ] - [ -0.0017678800000000, 0.0022020500000000, -0.0010094700000000 ] - [ -0.0003499800000000, -0.0000880000000000, -0.0002510900000000 ] - [ 0.0003187200000000, 0.0000214100000000, 0.0002272100000000 ] - [ 0.0004281900000000, -0.0004666000000000, -0.0002017500000000 ] - [ -0.0003352500000000, -0.0000618700000000, 0.0002314000000000 ] - [ -0.0001880900000000, -0.0000816800000000, -0.0001688800000000 ] - [ -0.0003352500000000, -0.0000618700000000, -0.0002314000000000 ] - [ -0.0001880900000000, -0.0000816800000000, 0.0001688800000000 ] - [ 0.0003187200000000, 0.0000214100000000, -0.0002272100000000 ] - [ 0.0004281900000000, -0.0004666000000000, 0.0002017500000000 ] - [ 0.0003606500000000, 0.0000364900000000, 0.0002351600000000 ] - [ -0.0000312900000000, 0.0005249500000000, -0.0004065300000000 ] - [ -0.0003499800000000, -0.0000880000000000, 0.0002510900000000 ] - [ 0.0002731500000000, -0.0000318100000000, 0.0000000000000000 ] - [ -0.0003274100000000, 0.0001459000000000, 0.0000000000000000 ] - [ 0.0001924100000000, -0.0007423500000000, 0.0000000000000000 ] - [ 0.0003214800000000, -0.0000599100000000, 0.0000000000000000 ] - [ 0.0005198800000000, -0.0000716000000000, 0.0000000000000000 ] - [ -0.0013065700000000, -0.0009488100000000, 0.0000000000000000 ] - [ 0.0003270600000000, -0.0002614200000000, 0.0000000000000000 ] - [ 0.0000383900000000, -0.0006499200000000, 0.0000000000000000 ] - [ -0.0003154700000000, 0.0003102900000000, 0.0000000000000000 ] - [ -0.0005409700000000, -0.0012666900000000, 0.0000000000000000 ] - [ -0.0001188300000000, 0.0002907400000000, 0.0000000000000000 ] - [ -0.0000010200000000, 0.0006098900000000, 0.0000000000000000 ] - [ 0.0001257100000000, -0.0001748700000000, 0.0000000000000000 ] - [ -0.0000871200000000, 0.0000374000000000, 0.0000000000000000 ] - [ -0.0005520100000000, 0.0000621900000000, 0.0000000000000000 ] - [ 0.0000994600000000, 0.0000604200000000, 0.0000000000000000 ] - [ -0.0000287100000000, -0.0000496600000000, 0.0000000000000000 ] - [ 0.0001730000000000, -0.0000503800000000, 0.0002121300000000 ] - [ -0.0003425900000000, -0.0001852800000000, -0.0000703200000000 ] - [ -0.0001774000000000, 0.0000986000000000, 0.0002198500000000 ] - [ -0.0058126000000000, -0.0012444700000000, 0.0042605900000000 ] - [ -0.0001774000000000, 0.0000986000000000, -0.0002198500000000 ] - [ -0.0058126000000000, -0.0012444700000000, -0.0042605900000000 ] - [ 0.0001730000000000, -0.0000503800000000, -0.0002121300000000 ] - [ -0.0003425900000000, -0.0001852800000000, 0.0000703200000000 ] - [ 0.0000819600000000, -0.0002805200000000, -0.0001324100000000 ] - [ -0.0000253900000000, 0.0003588800000000, 0.0000618500000000 ] - [ 0.0001126100000000, 0.0004930800000000, -0.0000051400000000 ] - [ -0.0000098600000000, -0.0002195600000000, 0.0000768900000000 ] - [ 0.0001126100000000, 0.0004930800000000, 0.0000051400000000 ] - [ -0.0000098600000000, -0.0002195600000000, -0.0000768900000000 ] - [ 0.0000819600000000, -0.0002805200000000, 0.0001324100000000 ] - [ -0.0000253900000000, 0.0003588800000000, -0.0000618500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0468318800000000, -0.0633798700000000, 0.0000000000000000 ] - [ 0.0006414400000000, 0.0009229500000000, 0.0000000000000000 ] - [ -0.0459028300000000, 0.0435085100000000, 0.0000000000000000 ] - [ -0.0006808100000000, -0.0006560300000000, 0.0000000000000000 ] - [ -0.0013177700000000, 0.0018689000000000, 0.0000000000000000 ] - [ -0.0002160100000000, -0.0001368600000000, 0.0000000000000000 ] - [ -0.0001787900000000, 0.0001459900000000, 0.0000000000000000 ] - [ 0.0001802100000000, 0.0005069800000000, 0.0000000000000000 ] - [ 0.0003403500000000, -0.0009546500000000, -0.0000880300000000 ] - [ -0.0000396200000000, 0.0003332700000000, 0.0001354200000000 ] - [ 0.0003403500000000, -0.0009546500000000, 0.0000880300000000 ] - [ -0.0000396200000000, 0.0003332700000000, -0.0001354200000000 ] - [ 0.0001769300000000, 0.0007319800000000, 0.0000000000000000 ] - [ -0.0002413400000000, -0.0015093500000000, 0.0000000000000000 ] - [ -0.0002699000000000, -0.0004600300000000, 0.0000000000000000 ] - [ -0.0013558800000000, -0.0001440200000000, 0.0000000000000000 ] - [ -0.0002109700000000, 0.0002907900000000, 0.0000000000000000 ] - [ -0.0002652200000000, 0.0000869400000000, 0.0000000000000000 ] - [ -0.0016747400000000, 0.0012482000000000, 0.0012647200000000 ] - [ 0.0003279100000000, 0.0003425500000000, 0.0000000000000000 ] - [ -0.0000225900000000, 0.0013719600000000, 0.0000000000000000 ] - [ -0.0000326500000000, 0.0003328200000000, 0.0000000000000000 ] - [ 0.0006305400000000, 0.0000308200000000, 0.0000000000000000 ] - [ 0.0000418200000000, 0.0000234900000000, 0.0000000000000000 ] - [ 0.0003851700000000, 0.0003034800000000, 0.0000000000000000 ] - [ 0.0013975600000000, 0.0003905300000000, 0.0000000000000000 ] - [ -0.0002332800000000, 0.0001009100000000, 0.0000000000000000 ] - [ 0.0006161200000000, -0.0002375300000000, 0.0000000000000000 ] - [ -0.0005355500000000, 0.0004945300000000, 0.0005491700000000 ] - [ 0.0002351400000000, 0.0003221700000000, -0.0003277500000000 ] - [ -0.0016747400000000, 0.0012482000000000, -0.0012647200000000 ] - [ -0.0004541100000000, 0.0001641200000000, -0.0001788000000000 ] - [ 0.0002612600000000, 0.0002845700000000, 0.0001029800000000 ] - [ 0.0001418100000000, 0.0001861800000000, -0.0001571600000000 ] - [ -0.0004040600000000, 0.0002083800000000, 0.0003700900000000 ] - [ -0.0005585300000000, -0.0003013400000000, -0.0002336900000000 ] - [ -0.0004040600000000, 0.0002083800000000, -0.0003700900000000 ] - [ -0.0005585300000000, -0.0003013400000000, 0.0002336900000000 ] - [ 0.0002612600000000, 0.0002845700000000, -0.0001029800000000 ] - [ 0.0001418100000000, 0.0001861800000000, 0.0001571600000000 ] - [ 0.0002351400000000, 0.0003221700000000, 0.0003277500000000 ] - [ -0.0005355500000000, 0.0004945300000000, -0.0005491700000000 ] - [ -0.0004541100000000, 0.0001641200000000, 0.0001788000000000 ] - [ 0.0003119800000000, 0.0001375700000000, 0.0000000000000000 ] - [ -0.0002770900000000, -0.0003272400000000, 0.0000000000000000 ] - [ -0.0005857800000000, 0.0011782100000000, 0.0000000000000000 ] - [ 0.0003744500000000, -0.0005431100000000, 0.0000000000000000 ] - [ 0.0005696100000000, 0.0012837300000000, 0.0000000000000000 ] - [ -0.0005343000000000, -0.0009748000000000, 0.0000000000000000 ] - [ 0.0002687000000000, -0.0004966700000000, 0.0000000000000000 ] - [ -0.0021640500000000, 0.0013703500000000, 0.0000000000000000 ] - [ -0.0003691400000000, 0.0000638000000000, 0.0000000000000000 ] - [ 0.0016724200000000, 0.0027426400000000, 0.0000000000000000 ] - [ 0.0000714200000000, -0.0000493700000000, 0.0000000000000000 ] - [ 0.0002798400000000, -0.0006408900000000, 0.0000000000000000 ] - [ 0.0003007600000000, -0.0005755300000000, 0.0000000000000000 ] - [ -0.0001831800000000, -0.0002820100000000, 0.0000000000000000 ] - [ 0.0000219200000000, 0.0002553300000000, 0.0000000000000000 ] - [ 0.0000383200000000, -0.0002765100000000, 0.0000000000000000 ] - [ 0.0002827400000000, 0.0001455700000000, 0.0000000000000000 ] - [ 0.0001889400000000, -0.0003004300000000, 0.0002488300000000 ] - [ 0.0005727900000000, 0.0049951400000000, 0.0028382200000000 ] - [ -0.0001599300000000, -0.0001520900000000, 0.0001998800000000 ] - [ 0.0019475400000000, 0.0010378600000000, -0.0010824700000000 ] - [ -0.0001599300000000, -0.0001520900000000, -0.0001998800000000 ] - [ 0.0019475400000000, 0.0010378600000000, 0.0010824700000000 ] - [ 0.0001889400000000, -0.0003004300000000, -0.0002488300000000 ] - [ 0.0005727900000000, 0.0049951400000000, -0.0028382200000000 ] - [ 0.0002051300000000, -0.0006499900000000, -0.0001623500000000 ] - [ -0.0001099500000000, -0.0001135900000000, 0.0000043300000000 ] - [ 0.0000055900000000, 0.0000369800000000, 0.0003914000000000 ] - [ -0.0001521300000000, -0.0005628200000000, 0.0002618100000000 ] - [ 0.0000055900000000, 0.0000369800000000, -0.0003914000000000 ] - [ -0.0001521300000000, -0.0005628200000000, -0.0002618100000000 ] - [ 0.0002051300000000, -0.0006499900000000, 0.0001623500000000 ] - [ -0.0001099500000000, -0.0001135900000000, -0.0000043300000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0440688000000000, 0.0606773000000000, 0.0000000000000000 ] - [ 0.0006859400000000, 0.0006700600000000, 0.0000000000000000 ] - [ 0.0430923700000000, -0.0410112000000000, 0.0000000000000000 ] - [ -0.0006467800000000, -0.0009341600000000, 0.0000000000000000 ] - [ 0.0010182300000000, -0.0013747200000000, 0.0000000000000000 ] - [ -0.0001073100000000, -0.0003877900000000, 0.0000000000000000 ] - [ 0.0004985900000000, -0.0006654300000000, 0.0000000000000000 ] - [ 0.0001450200000000, 0.0000241600000000, 0.0000000000000000 ] - [ -0.0003451000000000, 0.0009465400000000, -0.0001936400000000 ] - [ 0.0000392700000000, -0.0003308300000000, 0.0001427600000000 ] - [ -0.0003451000000000, 0.0009465400000000, 0.0001936400000000 ] - [ 0.0000392700000000, -0.0003308300000000, -0.0001427600000000 ] - [ 0.0002600600000000, 0.0004498500000000, 0.0000000000000000 ] - [ 0.0006822100000000, 0.0003286400000000, 0.0000000000000000 ] - [ -0.0001677300000000, -0.0007199000000000, 0.0000000000000000 ] - [ 0.0009080900000000, 0.0013151700000000, 0.0000000000000000 ] - [ -0.0003183300000000, -0.0003541900000000, 0.0000000000000000 ] - [ -0.0002643700000000, -0.0000213600000000, 0.0000000000000000 ] - [ 0.0010054100000000, -0.0011340800000000, -0.0017845300000000 ] - [ 0.0002023200000000, -0.0002739600000000, 0.0000000000000000 ] - [ -0.0000380700000000, -0.0017010900000000, 0.0000000000000000 ] - [ -0.0000185000000000, -0.0000005400000000, 0.0000000000000000 ] - [ -0.0005775900000000, 0.0003077200000000, 0.0000000000000000 ] - [ 0.0000095700000000, -0.0003528000000000, 0.0000000000000000 ] - [ 0.0002188400000000, -0.0000859500000000, 0.0000000000000000 ] - [ -0.0007848700000000, -0.0006027100000000, 0.0000000000000000 ] - [ -0.0003701700000000, -0.0003150600000000, 0.0000000000000000 ] - [ -0.0012063400000000, 0.0004528200000000, 0.0000000000000000 ] - [ 0.0012266600000000, -0.0006302600000000, -0.0000553000000000 ] - [ 0.0004656000000000, -0.0001762900000000, -0.0001568900000000 ] - [ 0.0010054100000000, -0.0011340800000000, 0.0017845300000000 ] - [ -0.0002488200000000, -0.0003060000000000, -0.0003049000000000 ] - [ 0.0003193900000000, -0.0001435800000000, 0.0003172400000000 ] - [ 0.0004378700000000, -0.0003238100000000, -0.0002637300000000 ] - [ -0.0001772500000000, -0.0003454900000000, 0.0000521200000000 ] - [ -0.0000189700000000, 0.0004504600000000, -0.0001794000000000 ] - [ -0.0001772500000000, -0.0003454900000000, -0.0000521200000000 ] - [ -0.0000189700000000, 0.0004504600000000, 0.0001794000000000 ] - [ 0.0003193900000000, -0.0001435800000000, -0.0003172400000000 ] - [ 0.0004378700000000, -0.0003238100000000, 0.0002637300000000 ] - [ 0.0004656000000000, -0.0001762900000000, 0.0001568900000000 ] - [ 0.0012266600000000, -0.0006302600000000, 0.0000553000000000 ] - [ -0.0002488200000000, -0.0003060000000000, 0.0003049000000000 ] - [ 0.0002184400000000, -0.0002001300000000, 0.0000000000000000 ] - [ -0.0003445400000000, 0.0005343100000000, 0.0000000000000000 ] - [ -0.0000326300000000, -0.0013857100000000, 0.0000000000000000 ] - [ 0.0002481500000000, 0.0003298400000000, 0.0000000000000000 ] - [ 0.0000569200000000, -0.0010587000000000, 0.0000000000000000 ] - [ 0.0011819300000000, 0.0015363400000000, 0.0000000000000000 ] - [ 0.0003821400000000, -0.0000641800000000, 0.0000000000000000 ] - [ 0.0015205400000000, -0.0019204900000000, 0.0000000000000000 ] - [ -0.0002818800000000, 0.0004942300000000, 0.0000000000000000 ] - [ -0.0019950400000000, -0.0032619400000000, 0.0000000000000000 ] - [ -0.0003613500000000, 0.0004901600000000, 0.0000000000000000 ] - [ 0.0000172200000000, 0.0010430900000000, 0.0000000000000000 ] - [ -0.0000092800000000, 0.0001291900000000, 0.0000000000000000 ] - [ -0.0001056000000000, 0.0003289700000000, 0.0000000000000000 ] - [ -0.0003056300000000, -0.0002976100000000, 0.0000000000000000 ] - [ 0.0002491900000000, 0.0002269500000000, 0.0000000000000000 ] - [ 0.0000051300000000, -0.0000981500000000, 0.0000000000000000 ] - [ 0.0001639500000000, 0.0001431700000000, 0.0001838900000000 ] - [ -0.0002110200000000, -0.0046809400000000, -0.0031195100000000 ] - [ -0.0001930600000000, 0.0003062600000000, 0.0002326200000000 ] - [ -0.0023162100000000, -0.0011785800000000, 0.0006634400000000 ] - [ -0.0001930600000000, 0.0003062600000000, -0.0002326200000000 ] - [ -0.0023162100000000, -0.0011785800000000, -0.0006634400000000 ] - [ 0.0001639500000000, 0.0001431700000000, -0.0001838900000000 ] - [ -0.0002110200000000, -0.0046809400000000, 0.0031195100000000 ] - [ -0.0002621000000000, 0.0001230600000000, 0.0000669600000000 ] - [ 0.0000523600000000, 0.0006341200000000, 0.0000893000000000 ] - [ 0.0000538700000000, 0.0004842000000000, -0.0004878200000000 ] - [ 0.0002101300000000, 0.0000365000000000, -0.0001691000000000 ] - [ 0.0000538700000000, 0.0004842000000000, 0.0004878200000000 ] - [ 0.0002101300000000, 0.0000365000000000, 0.0001691000000000 ] - [ -0.0002621000000000, 0.0001230600000000, -0.0000669600000000 ] - [ 0.0000523600000000, 0.0006341200000000, -0.0000893000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0007251800000000, -0.0008419900000000, -0.0111803400000000 ] - [ 0.0006636200000000, 0.0007959700000000, -0.0000033200000000 ] - [ -0.0005042400000000, 0.0006472500000000, -0.0072340100000000 ] - [ -0.0006635400000000, -0.0007953700000000, -0.0000009100000000 ] - [ -0.0001628800000000, 0.0002665200000000, 0.0000559700000000 ] - [ -0.0001630900000000, -0.0002627100000000, -0.0001350100000000 ] - [ 0.0001630100000000, -0.0002652200000000, -0.0000939200000000 ] - [ 0.0001626600000000, 0.0002650000000000, 0.0000389400000000 ] - [ 0.0001655900000000, 0.0002794200000000, 0.0002867000000000 ] - [ -0.0000015700000000, -0.0000000800000000, 0.0001355400000000 ] - [ -0.0001662000000000, -0.0002826100000000, 0.0005641600000000 ] - [ 0.0000014800000000, 0.0000012800000000, -0.0001421400000000 ] - [ 0.0002186600000000, 0.0005906500000000, 0.0000034900000000 ] - [ 0.0002149000000000, -0.0005860700000000, 0.0034818200000000 ] - [ -0.0002187400000000, -0.0005902300000000, 0.0000028500000000 ] - [ -0.0002134000000000, 0.0005844300000000, 0.0005655200000000 ] - [ -0.0002654800000000, -0.0000334100000000, 0.0000828900000000 ] - [ -0.0002621100000000, 0.0000336800000000, -0.0001913300000000 ] - [ 0.0003306900000000, -0.0011646700000000, -0.0012380700000000 ] - [ 0.0002649700000000, 0.0000330700000000, -0.0000277200000000 ] - [ -0.0000226200000000, -0.0001793400000000, -0.0007565900000000 ] - [ -0.0000255500000000, 0.0001660800000000, 0.0000135500000000 ] - [ 0.0000291800000000, 0.0001675500000000, -0.0005110500000000 ] - [ 0.0000258700000000, -0.0001650400000000, 0.0000099500000000 ] - [ 0.0003022700000000, 0.0001082300000000, -0.0000182900000000 ] - [ 0.0002937800000000, -0.0001145700000000, 0.0011345400000000 ] - [ -0.0003017800000000, -0.0001073800000000, -0.0000064700000000 ] - [ -0.0002970200000000, 0.0001102900000000, 0.0011616000000000 ] - [ -0.0006573800000000, 0.0011028100000000, 0.0007671300000000 ] - [ 0.0003577800000000, 0.0000700800000000, -0.0002387500000000 ] - [ -0.0010857500000000, 0.0013699500000000, -0.0007913000000000 ] - [ -0.0003458900000000, -0.0000935100000000, -0.0002513300000000 ] - [ 0.0002932900000000, 0.0000710200000000, 0.0002027900000000 ] - [ 0.0006552400000000, -0.0005294600000000, -0.0003359800000000 ] - [ -0.0002830100000000, -0.0001486300000000, 0.0002021500000000 ] - [ -0.0003819400000000, 0.0003967600000000, -0.0001100000000000 ] - [ -0.0002976800000000, 0.0000104100000000, -0.0002164300000000 ] - [ -0.0001977000000000, -0.0002591200000000, 0.0003147300000000 ] - [ 0.0002879600000000, 0.0000691200000000, -0.0002181300000000 ] - [ -0.0000775300000000, 0.0003932600000000, 0.0000855100000000 ] - [ 0.0003433600000000, 0.0000749100000000, 0.0002460200000000 ] - [ 0.0013607100000000, -0.0012522500000000, 0.0002803900000000 ] - [ -0.0003554800000000, -0.0000496300000000, 0.0002326400000000 ] - [ 0.0002645500000000, -0.0000314900000000, 0.0001099500000000 ] - [ -0.0003110800000000, 0.0001042000000000, 0.0000182700000000 ] - [ -0.0003072600000000, -0.0000937000000000, 0.0004205900000000 ] - [ 0.0003112900000000, -0.0001058600000000, -0.0000053200000000 ] - [ 0.0003085300000000, 0.0001090700000000, -0.0008732200000000 ] - [ 0.0003024200000000, 0.0003031000000000, -0.0022154800000000 ] - [ 0.0003250200000000, -0.0002798600000000, -0.0000122500000000 ] - [ -0.0003198200000000, -0.0002774000000000, 0.0011736600000000 ] - [ -0.0003251800000000, 0.0002791600000000, 0.0000031600000000 ] - [ -0.0001454200000000, -0.0002166100000000, -0.0013934700000000 ] - [ -0.0001457600000000, 0.0002203100000000, 0.0000583200000000 ] - [ 0.0001451500000000, 0.0002221800000000, 0.0011013900000000 ] - [ 0.0001456400000000, -0.0002226100000000, 0.0000152300000000 ] - [ -0.0001436000000000, 0.0000223800000000, -0.0000639200000000 ] - [ -0.0001509300000000, -0.0000235100000000, 0.0002645500000000 ] - [ 0.0001441300000000, -0.0000241600000000, -0.0000056400000000 ] - [ 0.0001453800000000, 0.0000246400000000, -0.0004894600000000 ] - [ 0.0001766200000000, -0.0000779400000000, 0.0002160600000000 ] - [ 0.0003366400000000, 0.0034313200000000, 0.0034572700000000 ] - [ -0.0001776700000000, 0.0000703500000000, 0.0002174200000000 ] - [ -0.0049959700000000, -0.0004544800000000, 0.0040589100000000 ] - [ -0.0001747300000000, 0.0000843000000000, -0.0002150600000000 ] - [ 0.0044415200000000, 0.0002356200000000, 0.0043483000000000 ] - [ 0.0001762300000000, -0.0000785300000000, -0.0002166000000000 ] - [ 0.0000535100000000, -0.0030957900000000, 0.0037572900000000 ] - [ 0.0000854500000000, -0.0003949900000000, -0.0000709400000000 ] - [ -0.0000088600000000, 0.0001825200000000, 0.0000519800000000 ] - [ 0.0004196000000000, -0.0001866900000000, 0.0000102100000000 ] - [ 0.0000063900000000, -0.0002058300000000, 0.0000588300000000 ] - [ -0.0003500300000000, 0.0007051000000000, 0.0001070800000000 ] - [ 0.0000503000000000, -0.0003191200000000, -0.0000349600000000 ] - [ -0.0001436600000000, -0.0001310200000000, 0.0000226800000000 ] - [ -0.0000480100000000, 0.0003389000000000, -0.0000426100000000 ]- atom: 5 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006686300000000, -0.0019664900000000, 0.0000000000000000 ] - [ 0.0006682000000000, 0.0008503900000000, 0.0000000000000000 ] - [ -0.0007476200000000, 0.0004552700000000, 0.0000000000000000 ] - [ -0.0006276400000000, -0.0008136300000000, 0.0000000000000000 ] - [ -0.0448525000000000, 0.0244543200000000, 0.0000000000000000 ] - [ 0.0011481900000000, -0.0012367800000000, 0.0000000000000000 ] - [ 0.0002150000000000, -0.0004073600000000, 0.0000000000000000 ] - [ 0.0001282300000000, 0.0001441900000000, 0.0000000000000000 ] - [ -0.0000665000000000, -0.0000061000000000, -0.0000559900000000 ] - [ 0.0000500700000000, -0.0001320400000000, 0.0001187000000000 ] - [ -0.0000665000000000, -0.0000061000000000, 0.0000559900000000 ] - [ 0.0000500700000000, -0.0001320400000000, -0.0001187000000000 ] - [ 0.0002306000000000, 0.0005670600000000, 0.0000000000000000 ] - [ 0.0000628600000000, -0.0004994700000000, 0.0000000000000000 ] - [ -0.0002387500000000, -0.0006044300000000, 0.0000000000000000 ] - [ -0.0000806200000000, 0.0006101400000000, 0.0000000000000000 ] - [ 0.0022519100000000, 0.0001489400000000, 0.0000000000000000 ] - [ -0.0013923900000000, 0.0001409500000000, 0.0000000000000000 ] - [ -0.0015176400000000, 0.0015463300000000, 0.0000556300000000 ] - [ 0.0002341700000000, -0.0000799100000000, 0.0000000000000000 ] - [ 0.0006071700000000, 0.0008262600000000, 0.0000000000000000 ] - [ -0.0001787300000000, 0.0008973600000000, 0.0000000000000000 ] - [ 0.0000155200000000, 0.0000747300000000, 0.0000000000000000 ] - [ 0.0000133600000000, -0.0002123500000000, 0.0000000000000000 ] - [ 0.0001537400000000, 0.0003266400000000, 0.0000000000000000 ] - [ 0.0006269000000000, 0.0006702300000000, 0.0000000000000000 ] - [ -0.0003350100000000, -0.0001956300000000, 0.0000000000000000 ] - [ -0.0003309400000000, 0.0000644600000000, 0.0000000000000000 ] - [ 0.0003656800000000, -0.0001386700000000, 0.0001942100000000 ] - [ 0.0004183800000000, -0.0000250600000000, -0.0001755800000000 ] - [ -0.0015176400000000, 0.0015463300000000, -0.0000556300000000 ] - [ 0.0000246700000000, -0.0000794000000000, -0.0003467800000000 ] - [ 0.0002839100000000, 0.0000115700000000, 0.0002473200000000 ] - [ 0.0003116500000000, -0.0001109700000000, -0.0001999300000000 ] - [ 0.0009448500000000, -0.0013450400000000, -0.0011430200000000 ] - [ 0.0009991300000000, -0.0012702200000000, 0.0011407500000000 ] - [ 0.0009448500000000, -0.0013450400000000, 0.0011430200000000 ] - [ 0.0009991300000000, -0.0012702200000000, -0.0011407500000000 ] - [ 0.0002839100000000, 0.0000115700000000, -0.0002473200000000 ] - [ 0.0003116500000000, -0.0001109700000000, 0.0001999300000000 ] - [ 0.0004183800000000, -0.0000250600000000, 0.0001755800000000 ] - [ 0.0003656800000000, -0.0001386700000000, -0.0001942100000000 ] - [ 0.0000246700000000, -0.0000794000000000, 0.0003467800000000 ] - [ 0.0002780400000000, -0.0001246200000000, 0.0000000000000000 ] - [ -0.0003895600000000, 0.0002887900000000, 0.0000000000000000 ] - [ -0.0003832000000000, 0.0002942100000000, 0.0000000000000000 ] - [ 0.0002438000000000, 0.0000955300000000, 0.0000000000000000 ] - [ 0.0002879100000000, 0.0000871100000000, 0.0000000000000000 ] - [ 0.0005411000000000, -0.0003754100000000, 0.0000000000000000 ] - [ 0.0002552500000000, -0.0005073700000000, 0.0000000000000000 ] - [ -0.0003256100000000, -0.0002539500000000, 0.0000000000000000 ] - [ -0.0003174800000000, 0.0003414000000000, 0.0000000000000000 ] - [ 0.0261682500000000, -0.0282796200000000, 0.0000000000000000 ] - [ -0.0005618700000000, -0.0000775900000000, 0.0000000000000000 ] - [ 0.0000748100000000, 0.0004231000000000, 0.0000000000000000 ] - [ 0.0000995400000000, -0.0000882600000000, 0.0000000000000000 ] - [ -0.0001464500000000, -0.0007406200000000, 0.0000000000000000 ] - [ 0.0013845000000000, -0.0002617400000000, 0.0000000000000000 ] - [ 0.0002027400000000, 0.0000539200000000, 0.0000000000000000 ] - [ 0.0001167600000000, 0.0000578100000000, 0.0000000000000000 ] - [ 0.0001859100000000, -0.0000352500000000, 0.0001896300000000 ] - [ 0.0002520500000000, 0.0001643200000000, 0.0000143300000000 ] - [ -0.0001026100000000, 0.0001194500000000, 0.0001742600000000 ] - [ -0.0005095300000000, 0.0000976200000000, -0.0001211600000000 ] - [ -0.0001026100000000, 0.0001194500000000, -0.0001742600000000 ] - [ -0.0005095300000000, 0.0000976200000000, 0.0001211600000000 ] - [ 0.0001859100000000, -0.0000352500000000, -0.0001896300000000 ] - [ 0.0002520500000000, 0.0001643200000000, -0.0000143300000000 ] - [ -0.0000470800000000, -0.0001308600000000, -0.0000304900000000 ] - [ -0.0000130100000000, 0.0003960300000000, 0.0000447300000000 ] - [ 0.0007341400000000, 0.0012148100000000, 0.0001478800000000 ] - [ 0.0048015200000000, 0.0021496800000000, -0.0047914900000000 ] - [ 0.0007341400000000, 0.0012148100000000, -0.0001478800000000 ] - [ 0.0048015200000000, 0.0021496800000000, 0.0047914900000000 ] - [ -0.0000470800000000, -0.0001308600000000, 0.0000304900000000 ] - [ -0.0000130100000000, 0.0003960300000000, -0.0000447300000000 ]- atom: 5 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006584300000000, 0.0003693200000000, 0.0000000000000000 ] - [ 0.0006589200000000, 0.0007418100000000, 0.0000000000000000 ] - [ -0.0005792300000000, 0.0011325700000000, 0.0000000000000000 ] - [ -0.0007003200000000, -0.0007785100000000, 0.0000000000000000 ] - [ 0.0446489400000000, -0.0245491000000000, 0.0000000000000000 ] - [ -0.0014604000000000, 0.0007034700000000, 0.0000000000000000 ] - [ 0.0001099100000000, -0.0001229800000000, 0.0000000000000000 ] - [ 0.0001963300000000, 0.0003836100000000, 0.0000000000000000 ] - [ 0.0000649600000000, 0.0000051800000000, -0.0002241100000000 ] - [ -0.0000487300000000, 0.0001315500000000, 0.0001588400000000 ] - [ 0.0000649600000000, 0.0000051800000000, 0.0002241100000000 ] - [ -0.0000487300000000, 0.0001315500000000, -0.0001588400000000 ] - [ 0.0002061900000000, 0.0006144800000000, 0.0000000000000000 ] - [ 0.0003762000000000, -0.0006814900000000, 0.0000000000000000 ] - [ -0.0001993100000000, -0.0005773000000000, 0.0000000000000000 ] - [ -0.0003577200000000, 0.0005718500000000, 0.0000000000000000 ] - [ -0.0027828600000000, -0.0002329400000000, 0.0000000000000000 ] - [ 0.0008564500000000, -0.0000817700000000, 0.0000000000000000 ] - [ 0.0008155600000000, -0.0014099200000000, -0.0005492200000000 ] - [ 0.0002949900000000, 0.0001437000000000, 0.0000000000000000 ] - [ -0.0006554800000000, -0.0011505500000000, 0.0000000000000000 ] - [ 0.0001295300000000, -0.0005675300000000, 0.0000000000000000 ] - [ 0.0000352500000000, 0.0002551700000000, 0.0000000000000000 ] - [ 0.0000373700000000, -0.0001187100000000, 0.0000000000000000 ] - [ 0.0004611500000000, -0.0000963100000000, 0.0000000000000000 ] - [ -0.0000258300000000, -0.0008748400000000, 0.0000000000000000 ] - [ -0.0002695200000000, -0.0000207800000000, 0.0000000000000000 ] - [ -0.0002734800000000, 0.0001512800000000, 0.0000000000000000 ] - [ 0.0003349700000000, -0.0000063400000000, 0.0002905300000000 ] - [ 0.0002830700000000, 0.0001680600000000, -0.0003081700000000 ] - [ 0.0008155600000000, -0.0014099200000000, 0.0005492200000000 ] - [ -0.0007227700000000, -0.0000634600000000, -0.0001430000000000 ] - [ 0.0002966700000000, 0.0001272400000000, 0.0001737100000000 ] - [ 0.0002683600000000, -0.0000290400000000, -0.0002209000000000 ] - [ -0.0015179000000000, 0.0011947400000000, 0.0015375400000000 ] - [ -0.0015871800000000, 0.0014272000000000, -0.0015770100000000 ] - [ -0.0015179000000000, 0.0011947400000000, -0.0015375400000000 ] - [ -0.0015871800000000, 0.0014272000000000, 0.0015770100000000 ] - [ 0.0002966700000000, 0.0001272400000000, -0.0001737100000000 ] - [ 0.0002683600000000, -0.0000290400000000, 0.0002209000000000 ] - [ 0.0002830700000000, 0.0001680600000000, 0.0003081700000000 ] - [ 0.0003349700000000, -0.0000063400000000, -0.0002905300000000 ] - [ -0.0007227700000000, -0.0000634600000000, 0.0001430000000000 ] - [ 0.0002514800000000, 0.0000587700000000, 0.0000000000000000 ] - [ -0.0002469200000000, -0.0000781400000000, 0.0000000000000000 ] - [ -0.0002332900000000, -0.0005080100000000, 0.0000000000000000 ] - [ 0.0003775700000000, -0.0003043100000000, 0.0000000000000000 ] - [ 0.0003339800000000, 0.0001236600000000, 0.0000000000000000 ] - [ 0.0001184000000000, 0.0009310700000000, 0.0000000000000000 ] - [ 0.0003983200000000, -0.0000516500000000, 0.0000000000000000 ] - [ -0.0003255500000000, -0.0003042900000000, 0.0000000000000000 ] - [ -0.0003334500000000, 0.0002183600000000, 0.0000000000000000 ] - [ -0.0266507000000000, 0.0285524400000000, 0.0000000000000000 ] - [ 0.0002629200000000, 0.0005134100000000, 0.0000000000000000 ] - [ 0.0002168100000000, 0.0000227500000000, 0.0000000000000000 ] - [ 0.0001900300000000, -0.0003542800000000, 0.0000000000000000 ] - [ -0.0001321100000000, 0.0007956800000000, 0.0000000000000000 ] - [ -0.0016780400000000, 0.0002288100000000, 0.0000000000000000 ] - [ 0.0000857300000000, -0.0001007500000000, 0.0000000000000000 ] - [ 0.0001708300000000, -0.0000102600000000, 0.0000000000000000 ] - [ 0.0001664600000000, -0.0001202900000000, 0.0002428900000000 ] - [ 0.0001008800000000, -0.0000070500000000, -0.0004442700000000 ] - [ -0.0002484200000000, 0.0000365400000000, 0.0002609400000000 ] - [ 0.0001539200000000, -0.0002579800000000, -0.0003097800000000 ] - [ -0.0002484200000000, 0.0000365400000000, -0.0002609400000000 ] - [ 0.0001539200000000, -0.0002579800000000, 0.0003097800000000 ] - [ 0.0001664600000000, -0.0001202900000000, -0.0002428900000000 ] - [ 0.0001008800000000, -0.0000070500000000, 0.0004442700000000 ] - [ -0.0000108400000000, -0.0003910800000000, -0.0000634100000000 ] - [ -0.0000442100000000, 0.0001283500000000, 0.0000494400000000 ] - [ -0.0005688400000000, -0.0006510700000000, -0.0001418300000000 ] - [ -0.0048217100000000, -0.0027565100000000, 0.0050186300000000 ] - [ -0.0005688400000000, -0.0006510700000000, 0.0001418300000000 ] - [ -0.0048217100000000, -0.0027565100000000, -0.0050186300000000 ] - [ -0.0000108400000000, -0.0003910800000000, 0.0000634100000000 ] - [ -0.0000442100000000, 0.0001283500000000, -0.0000494400000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006559200000000, 0.0008290800000000, 0.0000000000000000 ] - [ 0.0006222600000000, 0.0009223600000000, 0.0000000000000000 ] - [ -0.0006027800000000, 0.0012024300000000, 0.0000000000000000 ] - [ -0.0007169300000000, -0.0005537000000000, 0.0000000000000000 ] - [ 0.0250990900000000, -0.0761695900000000, 0.0000000000000000 ] - [ 0.0008029400000000, -0.0017765000000000, 0.0000000000000000 ] - [ 0.0000200600000000, 0.0004484900000000, 0.0000000000000000 ] - [ 0.0002824700000000, 0.0009058200000000, 0.0000000000000000 ] - [ 0.0002570100000000, 0.0006283600000000, 0.0000652200000000 ] - [ 0.0000229500000000, 0.0007674900000000, 0.0001140600000000 ] - [ 0.0002570100000000, 0.0006283600000000, -0.0000652200000000 ] - [ 0.0000229500000000, 0.0007674900000000, -0.0001140600000000 ] - [ 0.0000277600000000, 0.0008549800000000, 0.0000000000000000 ] - [ 0.0002566600000000, -0.0005078000000000, 0.0000000000000000 ] - [ -0.0002705600000000, -0.0003691600000000, 0.0000000000000000 ] - [ -0.0002704600000000, 0.0006732100000000, 0.0000000000000000 ] - [ 0.0002491900000000, -0.0004534600000000, 0.0000000000000000 ] - [ -0.0000767700000000, -0.0018035300000000, 0.0000000000000000 ] - [ 0.0009973900000000, 0.0036738800000000, -0.0029348400000000 ] - [ 0.0004349600000000, 0.0007050800000000, 0.0000000000000000 ] - [ 0.0000138500000000, -0.0005493200000000, 0.0000000000000000 ] - [ -0.0003758000000000, 0.0006451400000000, 0.0000000000000000 ] - [ -0.0000240300000000, 0.0005672200000000, 0.0000000000000000 ] - [ 0.0000780800000000, 0.0002113400000000, 0.0000000000000000 ] - [ 0.0013014300000000, 0.0016256400000000, 0.0000000000000000 ] - [ 0.0004511100000000, -0.0005384000000000, 0.0000000000000000 ] - [ -0.0001656000000000, 0.0003414700000000, 0.0000000000000000 ] - [ -0.0003408500000000, 0.0005041600000000, 0.0000000000000000 ] - [ 0.0005851400000000, 0.0004965400000000, 0.0000167900000000 ] - [ 0.0001226900000000, 0.0005696000000000, -0.0004450400000000 ] - [ 0.0009973900000000, 0.0036738800000000, 0.0029348400000000 ] - [ -0.0000980200000000, 0.0005748500000000, -0.0002578900000000 ] - [ 0.0002894200000000, 0.0004375800000000, 0.0000985500000000 ] - [ 0.0003055100000000, 0.0002990500000000, -0.0003545000000000 ] - [ -0.0019383100000000, 0.0013782800000000, 0.0022138700000000 ] - [ -0.0004447900000000, -0.0012611700000000, -0.0020005100000000 ] - [ -0.0019383100000000, 0.0013782800000000, -0.0022138700000000 ] - [ -0.0004447900000000, -0.0012611700000000, 0.0020005100000000 ] - [ 0.0002894200000000, 0.0004375800000000, -0.0000985500000000 ] - [ 0.0003055100000000, 0.0002990500000000, 0.0003545000000000 ] - [ 0.0001226900000000, 0.0005696000000000, 0.0004450400000000 ] - [ 0.0005851400000000, 0.0004965400000000, -0.0000167900000000 ] - [ -0.0000980200000000, 0.0005748500000000, 0.0002578900000000 ] - [ 0.0001095800000000, 0.0006087000000000, 0.0000000000000000 ] - [ -0.0013534600000000, -0.0007927700000000, 0.0000000000000000 ] - [ -0.0015838600000000, -0.0004318300000000, 0.0000000000000000 ] - [ 0.0005299500000000, -0.0010680500000000, 0.0000000000000000 ] - [ 0.0001735400000000, -0.0009008100000000, 0.0000000000000000 ] - [ -0.0008397800000000, -0.0005095600000000, 0.0000000000000000 ] - [ -0.0001237400000000, -0.0007996400000000, 0.0000000000000000 ] - [ -0.0002028300000000, -0.0006697700000000, 0.0000000000000000 ] - [ -0.0004104200000000, -0.0001294900000000, 0.0000000000000000 ] - [ -0.0305888500000000, 0.0566294100000000, 0.0000000000000000 ] - [ 0.0003560700000000, 0.0012067700000000, 0.0000000000000000 ] - [ -0.0001585200000000, -0.0007065200000000, 0.0000000000000000 ] - [ 0.0003743200000000, -0.0010193400000000, 0.0000000000000000 ] - [ -0.0002989800000000, -0.0001801800000000, 0.0000000000000000 ] - [ -0.0019524800000000, 0.0007134300000000, 0.0000000000000000 ] - [ -0.0001370200000000, -0.0005197100000000, 0.0000000000000000 ] - [ 0.0004309300000000, -0.0004095900000000, 0.0000000000000000 ] - [ 0.0001801100000000, -0.0004923300000000, 0.0003007600000000 ] - [ 0.0001364400000000, -0.0004580700000000, -0.0004715000000000 ] - [ 0.0000748500000000, -0.0002876000000000, 0.0002685200000000 ] - [ 0.0000200100000000, 0.0001141800000000, -0.0005283400000000 ] - [ 0.0000748500000000, -0.0002876000000000, -0.0002685200000000 ] - [ 0.0000200100000000, 0.0001141800000000, 0.0005283400000000 ] - [ 0.0001801100000000, -0.0004923300000000, -0.0003007600000000 ] - [ 0.0001364400000000, -0.0004580700000000, 0.0004715000000000 ] - [ 0.0000740200000000, -0.0010525200000000, -0.0000576100000000 ] - [ -0.0001145700000000, -0.0005358300000000, 0.0000551300000000 ] - [ 0.0015913500000000, 0.0033030400000000, 0.0016461600000000 ] - [ 0.0020505900000000, 0.0024766800000000, -0.0018160300000000 ] - [ 0.0015913500000000, 0.0033030400000000, -0.0016461600000000 ] - [ 0.0020505900000000, 0.0024766800000000, 0.0018160300000000 ] - [ 0.0000740200000000, -0.0010525200000000, 0.0000576100000000 ] - [ -0.0001145700000000, -0.0005358300000000, -0.0000551300000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006596000000000, -0.0024138900000000, 0.0000000000000000 ] - [ 0.0007055400000000, 0.0006716600000000, 0.0000000000000000 ] - [ -0.0007177500000000, 0.0003912700000000, 0.0000000000000000 ] - [ -0.0006110100000000, -0.0010362600000000, 0.0000000000000000 ] - [ -0.0239218600000000, 0.0747531100000000, 0.0000000000000000 ] - [ -0.0011370800000000, 0.0012586800000000, 0.0000000000000000 ] - [ 0.0003045000000000, -0.0009746400000000, 0.0000000000000000 ] - [ 0.0000430500000000, -0.0003754900000000, 0.0000000000000000 ] - [ -0.0002540900000000, -0.0006215700000000, -0.0003420800000000 ] - [ -0.0000238200000000, -0.0007665800000000, 0.0001648700000000 ] - [ -0.0002540900000000, -0.0006215700000000, 0.0003420800000000 ] - [ -0.0000238200000000, -0.0007665800000000, -0.0001648700000000 ] - [ 0.0004099500000000, 0.0003279800000000, 0.0000000000000000 ] - [ 0.0001827800000000, -0.0006765100000000, 0.0000000000000000 ] - [ -0.0001686800000000, -0.0008108300000000, 0.0000000000000000 ] - [ -0.0001701000000000, 0.0005078300000000, 0.0000000000000000 ] - [ -0.0007874900000000, 0.0003941900000000, 0.0000000000000000 ] - [ -0.0004410800000000, 0.0018574700000000, 0.0000000000000000 ] - [ -0.0016779400000000, -0.0034704300000000, 0.0023914500000000 ] - [ 0.0000953400000000, -0.0006385800000000, 0.0000000000000000 ] - [ -0.0000740000000000, 0.0002106100000000, 0.0000000000000000 ] - [ 0.0003250900000000, -0.0003100300000000, 0.0000000000000000 ] - [ 0.0000752300000000, -0.0002364500000000, 0.0000000000000000 ] - [ -0.0000269700000000, -0.0005410800000000, 0.0000000000000000 ] - [ -0.0007097900000000, -0.0014177700000000, 0.0000000000000000 ] - [ 0.0001520000000000, 0.0003082500000000, 0.0000000000000000 ] - [ -0.0004383500000000, -0.0005565700000000, 0.0000000000000000 ] - [ -0.0002632800000000, -0.0002875600000000, 0.0000000000000000 ] - [ 0.0001184900000000, -0.0006375100000000, 0.0004651000000000 ] - [ 0.0005790100000000, -0.0004247900000000, -0.0000394300000000 ] - [ -0.0016779400000000, -0.0034704300000000, -0.0023914500000000 ] - [ -0.0006062600000000, -0.0007143900000000, -0.0002296100000000 ] - [ 0.0002916700000000, -0.0002972600000000, 0.0003224100000000 ] - [ 0.0002758600000000, -0.0004376100000000, -0.0000675700000000 ] - [ 0.0013684100000000, -0.0015182400000000, -0.0018164200000000 ] - [ -0.0001438500000000, 0.0013947200000000, 0.0015638200000000 ] - [ 0.0013684100000000, -0.0015182400000000, 0.0018164200000000 ] - [ -0.0001438500000000, 0.0013947200000000, -0.0015638200000000 ] - [ 0.0002916700000000, -0.0002972600000000, -0.0003224100000000 ] - [ 0.0002758600000000, -0.0004376100000000, 0.0000675700000000 ] - [ 0.0005790100000000, -0.0004247900000000, 0.0000394300000000 ] - [ 0.0001184900000000, -0.0006375100000000, -0.0004651000000000 ] - [ -0.0006062600000000, -0.0007143900000000, 0.0002296100000000 ] - [ 0.0004196200000000, -0.0006717100000000, 0.0000000000000000 ] - [ 0.0007385400000000, 0.0009950400000000, 0.0000000000000000 ] - [ 0.0009391900000000, 0.0002231400000000, 0.0000000000000000 ] - [ 0.0000923700000000, 0.0008558400000000, 0.0000000000000000 ] - [ 0.0004482300000000, 0.0011037800000000, 0.0000000000000000 ] - [ 0.0014828200000000, 0.0010663200000000, 0.0000000000000000 ] - [ 0.0007802900000000, 0.0002324300000000, 0.0000000000000000 ] - [ -0.0004477400000000, 0.0001108700000000, 0.0000000000000000 ] - [ -0.0002406100000000, 0.0006880300000000, 0.0000000000000000 ] - [ 0.0288478100000000, -0.0551361800000000, 0.0000000000000000 ] - [ -0.0006440300000000, -0.0007747300000000, 0.0000000000000000 ] - [ 0.0004469100000000, 0.0011462400000000, 0.0000000000000000 ] - [ -0.0000832500000000, 0.0005736600000000, 0.0000000000000000 ] - [ 0.0000343700000000, 0.0002044100000000, 0.0000000000000000 ] - [ 0.0016405500000000, -0.0007476500000000, 0.0000000000000000 ] - [ 0.0004251400000000, 0.0004715100000000, 0.0000000000000000 ] - [ -0.0001410000000000, 0.0004557800000000, 0.0000000000000000 ] - [ 0.0001732800000000, 0.0003341300000000, 0.0001321000000000 ] - [ 0.0002177000000000, 0.0006146700000000, 0.0000395000000000 ] - [ -0.0004293000000000, 0.0004376600000000, 0.0001645600000000 ] - [ -0.0003671100000000, -0.0002703600000000, 0.0000910400000000 ] - [ -0.0004293000000000, 0.0004376600000000, -0.0001645600000000 ] - [ -0.0003671100000000, -0.0002703600000000, -0.0000910400000000 ] - [ 0.0001732800000000, 0.0003341300000000, -0.0001321000000000 ] - [ 0.0002177000000000, 0.0006146700000000, -0.0000395000000000 ] - [ -0.0001306300000000, 0.0005277400000000, -0.0000365000000000 ] - [ 0.0000575100000000, 0.0010571900000000, 0.0000386400000000 ] - [ -0.0015006200000000, -0.0027805100000000, -0.0017135800000000 ] - [ -0.0020607400000000, -0.0030279400000000, 0.0019840400000000 ] - [ -0.0015006200000000, -0.0027805100000000, 0.0017135800000000 ] - [ -0.0020607400000000, -0.0030279400000000, -0.0019840400000000 ] - [ -0.0001306300000000, 0.0005277400000000, 0.0000365000000000 ] - [ 0.0000575100000000, 0.0010571900000000, -0.0000386400000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0006640500000000, -0.0007984000000000, 0.0000559400000000 ] - [ 0.0006643000000000, 0.0007953600000000, -0.0001350100000000 ] - [ -0.0006637400000000, 0.0007959300000000, -0.0000938500000000 ] - [ -0.0006645100000000, -0.0007962300000000, 0.0000389700000000 ] - [ -0.0001218800000000, 0.0004181100000000, -0.0265425000000000 ] - [ -0.0001646500000000, -0.0002661700000000, 0.0010423700000000 ] - [ 0.0001626600000000, -0.0002646800000000, 0.0000630600000000 ] - [ 0.0001626500000000, 0.0002642900000000, 0.0000033000000000 ] - [ -0.0001141500000000, -0.0002015200000000, 0.0001297200000000 ] - [ 0.0000308000000000, 0.0000453600000000, 0.0000571600000000 ] - [ 0.0001132600000000, 0.0002013300000000, 0.0004073900000000 ] - [ -0.0000318200000000, -0.0000446700000000, -0.0002219300000000 ] - [ 0.0002185600000000, 0.0005899500000000, 0.0000159000000000 ] - [ 0.0002187100000000, -0.0005903000000000, 0.0001223000000000 ] - [ -0.0002187900000000, -0.0005904700000000, -0.0000062400000000 ] - [ -0.0002184900000000, 0.0005907600000000, 0.0000376500000000 ] - [ -0.0002636700000000, -0.0000335200000000, -0.0005739600000000 ] - [ -0.0002664200000000, 0.0000353100000000, 0.0027312000000000 ] - [ -0.0008249100000000, -0.0029051100000000, 0.0002549400000000 ] - [ 0.0002649000000000, 0.0000322600000000, -0.0000011900000000 ] - [ -0.0000258400000000, -0.0001643900000000, -0.0002222300000000 ] - [ -0.0000255800000000, 0.0001633800000000, 0.0004395600000000 ] - [ 0.0000257300000000, 0.0001652400000000, 0.0000056300000000 ] - [ 0.0000257700000000, -0.0001655500000000, 0.0000058000000000 ] - [ 0.0002991300000000, 0.0001046100000000, -0.0003417500000000 ] - [ 0.0003012700000000, -0.0001067200000000, 0.0002946300000000 ] - [ -0.0003022300000000, -0.0001080000000000, 0.0000054700000000 ] - [ -0.0003023500000000, 0.0001077100000000, -0.0000248600000000 ] - [ 0.0003212000000000, -0.0000870000000000, 0.0002887800000000 ] - [ 0.0003546100000000, 0.0000701300000000, -0.0002378700000000 ] - [ 0.0001247700000000, 0.0030521800000000, 0.0007318400000000 ] - [ -0.0006404300000000, -0.0008653200000000, -0.0003082400000000 ] - [ 0.0002715100000000, 0.0000939400000000, 0.0001755200000000 ] - [ 0.0002708000000000, -0.0000735500000000, -0.0001861300000000 ] - [ -0.0006917900000000, 0.0006372400000000, 0.0001207900000000 ] - [ 0.0008985700000000, -0.0019082900000000, 0.0005964200000000 ] - [ 0.0000992400000000, -0.0007641300000000, -0.0003101700000000 ] - [ -0.0014957000000000, 0.0020573200000000, 0.0010176600000000 ] - [ 0.0003095300000000, 0.0000450200000000, -0.0002449700000000 ] - [ 0.0003101500000000, -0.0000656900000000, 0.0002346300000000 ] - [ 0.0003462700000000, 0.0000738300000000, 0.0002469800000000 ] - [ 0.0003802400000000, -0.0000570600000000, -0.0001954000000000 ] - [ -0.0000686300000000, 0.0007186400000000, 0.0001739600000000 ] - [ 0.0002649300000000, -0.0000326100000000, 0.0000023400000000 ] - [ -0.0003074100000000, 0.0001044300000000, 0.0003380800000000 ] - [ -0.0003100500000000, -0.0001046000000000, -0.0011404300000000 ] - [ 0.0003116100000000, -0.0001056000000000, 0.0000344700000000 ] - [ 0.0003113900000000, 0.0001059800000000, -0.0000176700000000 ] - [ 0.0003280700000000, 0.0002833700000000, 0.0012248000000000 ] - [ 0.0003250100000000, -0.0002793200000000, -0.0004714600000000 ] - [ -0.0003255800000000, -0.0002796000000000, -0.0000703700000000 ] - [ -0.0003252500000000, 0.0002800000000000, 0.0000127900000000 ] - [ -0.0001011700000000, -0.0003003100000000, 0.0062322300000000 ] - [ -0.0001398900000000, 0.0002265700000000, 0.0005277100000000 ] - [ 0.0001453400000000, 0.0002219900000000, -0.0000456700000000 ] - [ 0.0001452400000000, -0.0002218200000000, 0.0000323900000000 ] - [ -0.0001420500000000, 0.0000256900000000, -0.0003291600000000 ] - [ -0.0001366100000000, -0.0000296100000000, -0.0021394900000000 ] - [ 0.0001443700000000, -0.0000235400000000, -0.0000035700000000 ] - [ 0.0001440300000000, 0.0000235800000000, -0.0000125400000000 ] - [ 0.0001743100000000, -0.0000624300000000, 0.0002225900000000 ] - [ 0.0001906100000000, 0.0000357700000000, -0.0002254700000000 ] - [ -0.0001551800000000, 0.0000327700000000, 0.0002301600000000 ] - [ -0.0000260900000000, -0.0004733400000000, -0.0001380600000000 ] - [ -0.0001995900000000, 0.0001218700000000, -0.0002018800000000 ] - [ -0.0003264300000000, 0.0003140700000000, 0.0002943900000000 ] - [ 0.0001782600000000, -0.0000930100000000, -0.0002099900000000 ] - [ 0.0001622800000000, 0.0001206400000000, 0.0002061600000000 ] - [ -0.0000334100000000, -0.0002611600000000, -0.0000410900000000 ] - [ -0.0000287800000000, 0.0002530700000000, 0.0000435000000000 ] - [ 0.0013730600000000, 0.0013687000000000, 0.0020806800000000 ] - [ -0.0041766000000000, -0.0027392000000000, 0.0060151100000000 ] - [ -0.0012332900000000, -0.0008205500000000, 0.0021141100000000 ] - [ 0.0040876300000000, 0.0020976800000000, 0.0057812400000000 ] - [ -0.0000237900000000, -0.0002615700000000, 0.0000529900000000 ] - [ -0.0000281000000000, 0.0002709400000000, -0.0000501400000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0009737900000000, -0.0004518400000000, 0.0001654900000000 ] - [ 0.0006585200000000, 0.0008351400000000, 0.0000015200000000 ] - [ -0.0003553900000000, 0.0011373500000000, -0.0001667000000000 ] - [ -0.0006686800000000, -0.0007562600000000, -0.0000015100000000 ] - [ -0.0002282500000000, 0.0005203700000000, -0.0001139700000000 ] - [ -0.0001138500000000, -0.0002879700000000, -0.0000310800000000 ] - [ 0.0000963600000000, -0.0000093200000000, 0.0001129400000000 ] - [ 0.0002121900000000, 0.0002411300000000, 0.0000314900000000 ] - [ -0.0319694400000000, -0.0106297600000000, -0.0001438700000000 ] - [ -0.0000184800000000, 0.0000962100000000, 0.0001388300000000 ] - [ -0.0006773800000000, 0.0004276000000000, 0.0001193300000000 ] - [ -0.0000139900000000, 0.0000948800000000, -0.0001388600000000 ] - [ 0.0002078000000000, 0.0006368800000000, -0.0000010600000000 ] - [ 0.0015145700000000, 0.0011399700000000, -0.0014042000000000 ] - [ -0.0002296800000000, -0.0005440600000000, 0.0000010700000000 ] - [ 0.0011304100000000, 0.0023236900000000, 0.0014241400000000 ] - [ -0.0001422200000000, 0.0001016400000000, -0.0000023200000000 ] - [ -0.0003908500000000, 0.0001449500000000, -0.0000268600000000 ] - [ 0.0004337900000000, 0.0009493900000000, -0.0019189100000000 ] - [ 0.0003873700000000, 0.0001661000000000, 0.0000024300000000 ] - [ -0.0005636900000000, -0.0003283500000000, -0.0006041700000000 ] - [ -0.0000241500000000, 0.0002155900000000, 0.0000057500000000 ] - [ -0.0005152100000000, 0.0000090700000000, 0.0006066900000000 ] - [ 0.0000270800000000, -0.0001153200000000, -0.0000057000000000 ] - [ 0.0003220200000000, 0.0001642800000000, -0.0000101400000000 ] - [ -0.0010361200000000, -0.0025190400000000, 0.0019787100000000 ] - [ -0.0002820500000000, -0.0000513300000000, 0.0000100700000000 ] - [ -0.0016419800000000, -0.0022995100000000, -0.0019845900000000 ] - [ 0.0008742900000000, 0.0013154500000000, 0.0006973600000000 ] - [ 0.0003222900000000, 0.0001402700000000, -0.0002566800000000 ] - [ 0.0001634800000000, 0.0014473000000000, -0.0002317900000000 ] - [ -0.0003791000000000, -0.0000038700000000, -0.0002274300000000 ] - [ 0.0002774900000000, 0.0000865600000000, 0.0001833700000000 ] - [ 0.0006701300000000, 0.0000786500000000, 0.0000162600000000 ] - [ -0.0003032700000000, -0.0000524400000000, 0.0002376000000000 ] - [ 0.0000836900000000, 0.0002155200000000, -0.0004438900000000 ] - [ -0.0002844500000000, -0.0000303800000000, -0.0002278200000000 ] - [ -0.0000099300000000, -0.0004815500000000, -0.0000170100000000 ] - [ 0.0002963900000000, 0.0001090800000000, -0.0001929300000000 ] - [ 0.0005684100000000, -0.0006133000000000, 0.0004340000000000 ] - [ 0.0003198900000000, 0.0001369600000000, 0.0002604000000000 ] - [ 0.0011329100000000, 0.0008116900000000, 0.0014027400000000 ] - [ -0.0003814200000000, -0.0000071200000000, 0.0002238200000000 ] - [ 0.0001383300000000, 0.0000793700000000, 0.0000261800000000 ] - [ -0.0002907200000000, -0.0000193500000000, 0.0000042700000000 ] - [ 0.0092830500000000, 0.0058559300000000, -0.0074920100000000 ] - [ 0.0003316800000000, -0.0002293700000000, -0.0000042400000000 ] - [ 0.0098469400000000, 0.0061150700000000, 0.0075419300000000 ] - [ 0.0013275800000000, 0.0003265200000000, 0.0011661400000000 ] - [ 0.0003115900000000, -0.0003373000000000, 0.0000006200000000 ] - [ 0.0006687700000000, -0.0002607100000000, -0.0011493600000000 ] - [ -0.0003387300000000, 0.0002216600000000, -0.0000006500000000 ] - [ -0.0008243700000000, -0.0006739300000000, 0.0011645900000000 ] - [ -0.0000620900000000, 0.0001368600000000, 0.0000225100000000 ] - [ -0.0005304700000000, -0.0002304200000000, -0.0011504800000000 ] - [ 0.0002287800000000, -0.0003068800000000, -0.0000231500000000 ] - [ -0.0002201300000000, -0.0000424100000000, -0.0000282900000000 ] - [ 0.0000478900000000, -0.0005792700000000, -0.0001152200000000 ] - [ 0.0000687300000000, -0.0000896100000000, 0.0000283200000000 ] - [ 0.0003386700000000, -0.0005377300000000, 0.0001204300000000 ] - [ 0.0001819600000000, -0.0001429700000000, 0.0002219000000000 ] - [ 0.0047228600000000, -0.0015897900000000, -0.0006016300000000 ] - [ -0.0001708900000000, 0.0000130800000000, 0.0002107900000000 ] - [ 0.0046062600000000, -0.0018703200000000, 0.0001591900000000 ] - [ -0.0001709900000000, 0.0000138900000000, -0.0002090300000000 ] - [ -0.0005353600000000, 0.0000285000000000, 0.0001989000000000 ] - [ 0.0001818900000000, -0.0001419900000000, -0.0002237400000000 ] - [ -0.0001845300000000, 0.0001819300000000, 0.0002306200000000 ] - [ 0.0000625300000000, -0.0001662600000000, -0.0002269900000000 ] - [ -0.0000724300000000, 0.0001482100000000, 0.0000048200000000 ] - [ 0.0001208400000000, 0.0003561400000000, 0.0001322100000000 ] - [ -0.0000159900000000, -0.0003747000000000, 0.0000894900000000 ] - [ 0.0002904200000000, 0.0003223500000000, -0.0001909100000000 ] - [ 0.0000190700000000, -0.0004460800000000, -0.0000767700000000 ] - [ 0.0002330400000000, -0.0002009800000000, 0.0002848900000000 ] - [ -0.0000374800000000, 0.0000762800000000, -0.0000178500000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002892800000000, -0.0017462900000000, 0.0002817600000000 ] - [ 0.0006262400000000, 0.0011277700000000, -0.0000005000000000 ] - [ -0.0010477300000000, -0.0001549300000000, -0.0002805200000000 ] - [ -0.0007013100000000, -0.0004638900000000, 0.0000006500000000 ] - [ -0.0001688900000000, 0.0008880900000000, -0.0002011700000000 ] - [ -0.0000305800000000, 0.0005026400000000, 0.0000451100000000 ] - [ 0.0001575100000000, 0.0003620700000000, 0.0002015800000000 ] - [ 0.0002942700000000, 0.0010316300000000, -0.0000451500000000 ] - [ -0.0106346500000000, -0.0536107300000000, -0.0006943900000000 ] - [ -0.0000962400000000, 0.0006426900000000, 0.0001390700000000 ] - [ 0.0004277400000000, -0.0022477700000000, 0.0001279300000000 ] - [ -0.0000949000000000, 0.0006597500000000, -0.0001390400000000 ] - [ 0.0001217000000000, 0.0008574600000000, -0.0000016400000000 ] - [ -0.0016285900000000, -0.0014670500000000, -0.0005419400000000 ] - [ -0.0003162100000000, -0.0003237800000000, 0.0000017400000000 ] - [ -0.0021037100000000, -0.0002704800000000, 0.0005423800000000 ] - [ -0.0001040500000000, 0.0006541700000000, -0.0000536800000000 ] - [ -0.0003460400000000, 0.0006271400000000, 0.0000134000000000 ] - [ 0.0017725700000000, 0.0025304700000000, -0.0030743600000000 ] - [ 0.0004251000000000, 0.0007180600000000, 0.0000541400000000 ] - [ -0.0004636300000000, -0.0003526500000000, 0.0000307500000000 ] - [ 0.0000214900000000, 0.0005563900000000, -0.0000101800000000 ] - [ -0.0004110900000000, -0.0000245700000000, -0.0000324800000000 ] - [ 0.0000726400000000, 0.0002250500000000, 0.0000102200000000 ] - [ 0.0004207700000000, 0.0005099400000000, 0.0000082300000000 ] - [ 0.0000076200000000, 0.0022486800000000, -0.0019145600000000 ] - [ -0.0001833800000000, 0.0002938500000000, -0.0000080700000000 ] - [ -0.0005915400000000, 0.0025163600000000, 0.0019536900000000 ] - [ 0.0023769200000000, 0.0024875700000000, 0.0003123800000000 ] - [ 0.0001535800000000, 0.0005925600000000, -0.0004005000000000 ] - [ 0.0016271200000000, 0.0025735000000000, 0.0001286800000000 ] - [ -0.0005475900000000, 0.0004486600000000, -0.0000839400000000 ] - [ 0.0003149800000000, 0.0005709300000000, 0.0001703900000000 ] - [ 0.0007095400000000, 0.0000379800000000, -0.0001709700000000 ] - [ -0.0002656200000000, 0.0004318100000000, 0.0002508800000000 ] - [ 0.0001217400000000, 0.0001724200000000, -0.0002513400000000 ] - [ -0.0002886800000000, 0.0002721900000000, -0.0002411200000000 ] - [ 0.0003120400000000, 0.0005943700000000, -0.0010438000000000 ] - [ 0.0002922100000000, 0.0004114700000000, -0.0001796400000000 ] - [ 0.0009012300000000, 0.0004519800000000, 0.0014696600000000 ] - [ 0.0001598600000000, 0.0005623600000000, 0.0004028400000000 ] - [ 0.0024863400000000, 0.0023937500000000, 0.0026000900000000 ] - [ -0.0005418000000000, 0.0004186600000000, 0.0000818000000000 ] - [ 0.0001818700000000, 0.0005625400000000, -0.0000138800000000 ] - [ -0.0001597600000000, -0.0007617700000000, -0.0000082600000000 ] - [ 0.0052321700000000, 0.0164596400000000, -0.0110383000000000 ] - [ 0.0004629400000000, -0.0009717600000000, 0.0000085300000000 ] - [ 0.0060953500000000, 0.0171353300000000, 0.0116433400000000 ] - [ 0.0006355200000000, 0.0016608800000000, 0.0007094500000000 ] - [ 0.0002332700000000, -0.0007056400000000, 0.0000128200000000 ] - [ -0.0000140700000000, 0.0011265900000000, -0.0007537100000000 ] - [ -0.0004170500000000, -0.0001459400000000, -0.0000128100000000 ] - [ -0.0018995500000000, -0.0011292600000000, 0.0019902700000000 ] - [ -0.0000217800000000, -0.0006348700000000, -0.0000385400000000 ] - [ -0.0016324000000000, -0.0006879900000000, -0.0019919200000000 ] - [ 0.0002687700000000, -0.0010781400000000, 0.0000379900000000 ] - [ -0.0004120900000000, -0.0005397800000000, 0.0000212700000000 ] - [ 0.0001927600000000, 0.0000658100000000, 0.0002222200000000 ] - [ -0.0001228400000000, -0.0005864900000000, -0.0000206800000000 ] - [ 0.0004784700000000, 0.0001105800000000, -0.0002179500000000 ] - [ 0.0002083500000000, -0.0005304300000000, 0.0002768100000000 ] - [ -0.0016503900000000, 0.0035254000000000, -0.0001580500000000 ] - [ -0.0001443600000000, -0.0003747400000000, 0.0001560600000000 ] - [ -0.0019395200000000, 0.0033426100000000, -0.0002784900000000 ] - [ -0.0001497300000000, -0.0003959200000000, -0.0001592000000000 ] - [ 0.0001956800000000, 0.0015174300000000, 0.0002570200000000 ] - [ 0.0002029700000000, -0.0005514100000000, -0.0002736300000000 ] - [ 0.0005485100000000, 0.0016766600000000, 0.0001714900000000 ] - [ -0.0001122100000000, -0.0009125600000000, 0.0001224100000000 ] - [ -0.0000639400000000, -0.0005992300000000, 0.0001057400000000 ] - [ -0.0000541600000000, -0.0003909300000000, -0.0002133400000000 ] - [ -0.0000066400000000, -0.0011239800000000, -0.0000114700000000 ] - [ 0.0002473700000000, -0.0008620900000000, 0.0001720900000000 ] - [ -0.0000194900000000, -0.0010232400000000, -0.0000170100000000 ] - [ 0.0001860600000000, -0.0013868400000000, -0.0000813600000000 ] - [ -0.0000763600000000, -0.0005008000000000, -0.0000773300000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0007748400000000, -0.0007452400000000, 0.0004251400000000 ] - [ 0.0006646800000000, 0.0007920300000000, -0.0000030900000000 ] - [ -0.0007748400000000, 0.0007452400000000, 0.0004251400000000 ] - [ -0.0006646800000000, -0.0007920300000000, -0.0000030900000000 ] - [ -0.0000794600000000, 0.0004660200000000, 0.0002678900000000 ] - [ -0.0001425600000000, -0.0002897400000000, -0.0000819400000000 ] - [ 0.0000794600000000, -0.0004660200000000, 0.0002678900000000 ] - [ 0.0001425600000000, 0.0002897400000000, -0.0000819400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0589582800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001404400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0078391100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001382500000000 ] - [ 0.0002125300000000, 0.0005927100000000, -0.0000003100000000 ] - [ 0.0009108600000000, -0.0012087700000000, -0.0000421200000000 ] - [ -0.0002125300000000, -0.0005927100000000, -0.0000003100000000 ] - [ -0.0009108600000000, 0.0012087700000000, -0.0000421200000000 ] - [ -0.0003299000000000, -0.0001250000000000, 0.0000263700000000 ] - [ -0.0002912700000000, -0.0000585900000000, 0.0000287900000000 ] - [ -0.0002626100000000, 0.0012076200000000, 0.0055735500000000 ] - [ 0.0003299000000000, 0.0001250000000000, 0.0000263700000000 ] - [ -0.0000657100000000, -0.0001476400000000, 0.0000726600000000 ] - [ -0.0000325700000000, 0.0001623300000000, 0.0000043600000000 ] - [ 0.0000657100000000, 0.0001476400000000, 0.0000726600000000 ] - [ 0.0000325700000000, -0.0001623300000000, 0.0000043600000000 ] - [ 0.0003081400000000, 0.0001134900000000, -0.0000020000000000 ] - [ 0.0019011300000000, -0.0011353100000000, -0.0001875900000000 ] - [ -0.0003081400000000, -0.0001134900000000, -0.0000020000000000 ] - [ -0.0019011300000000, 0.0011353100000000, -0.0001875900000000 ] - [ -0.0007804700000000, -0.0020483400000000, 0.0026653400000000 ] - [ 0.0003547400000000, 0.0000558400000000, -0.0002446400000000 ] - [ 0.0007804700000000, 0.0020483400000000, 0.0026653400000000 ] - [ -0.0003547400000000, -0.0000558400000000, -0.0002446400000000 ] - [ 0.0003292100000000, 0.0000834600000000, 0.0001994800000000 ] - [ -0.0002561400000000, -0.0001391800000000, 0.0008635800000000 ] - [ -0.0003292100000000, -0.0000834600000000, 0.0001994800000000 ] - [ 0.0002561400000000, 0.0001391800000000, 0.0008635800000000 ] - [ -0.0003111100000000, -0.0000372700000000, -0.0002068100000000 ] - [ -0.0001256600000000, 0.0003041500000000, 0.0005828700000000 ] - [ 0.0003111100000000, 0.0000372700000000, -0.0002068100000000 ] - [ 0.0001256600000000, -0.0003041500000000, 0.0005828700000000 ] - [ 0.0003437700000000, 0.0000676300000000, 0.0002613600000000 ] - [ 0.0002626100000000, -0.0012076200000000, 0.0055735500000000 ] - [ -0.0003437700000000, -0.0000676300000000, 0.0002613600000000 ] - [ 0.0002912700000000, 0.0000585900000000, 0.0000287900000000 ] - [ -0.0003224000000000, 0.0001004900000000, -0.0000049100000000 ] - [ -0.0088267400000000, -0.0150987700000000, 0.0203262900000000 ] - [ 0.0003224000000000, -0.0001004900000000, -0.0000049100000000 ] - [ 0.0088267400000000, 0.0150987700000000, 0.0203262900000000 ] - [ -0.0001062600000000, -0.0007634000000000, -0.0031369400000000 ] - [ 0.0003297100000000, -0.0002860400000000, 0.0000052200000000 ] - [ 0.0001062600000000, 0.0007634000000000, -0.0031369400000000 ] - [ -0.0003297100000000, 0.0002860400000000, 0.0000052200000000 ] - [ -0.0003073900000000, -0.0003315400000000, -0.0022115700000000 ] - [ -0.0001196800000000, 0.0002208400000000, 0.0000445800000000 ] - [ 0.0003073900000000, 0.0003315400000000, -0.0022115700000000 ] - [ 0.0001196800000000, -0.0002208400000000, 0.0000445800000000 ] - [ -0.0000926500000000, 0.0000389500000000, -0.0000003700000000 ] - [ -0.0004913100000000, 0.0000115100000000, -0.0004532900000000 ] - [ 0.0000926500000000, -0.0000389500000000, -0.0000003700000000 ] - [ 0.0004913100000000, -0.0000115100000000, -0.0004532900000000 ] - [ 0.0001750900000000, -0.0000742400000000, 0.0002164100000000 ] - [ -0.0005585400000000, 0.0007329100000000, 0.0008855800000000 ] - [ -0.0001750900000000, 0.0000742400000000, 0.0002164100000000 ] - [ 0.0005585400000000, -0.0007329100000000, 0.0008855800000000 ] - [ -0.0001732400000000, 0.0000792500000000, -0.0002124400000000 ] - [ -0.0004958600000000, -0.0000500100000000, -0.0003303600000000 ] - [ 0.0001732400000000, -0.0000792500000000, -0.0002124400000000 ] - [ 0.0004958600000000, 0.0000500100000000, -0.0003303600000000 ] - [ -0.0001927500000000, -0.0002064500000000, 0.0002282700000000 ] - [ -0.0000111400000000, 0.0002989100000000, 0.0000835600000000 ] - [ 0.0001927500000000, 0.0002064500000000, 0.0002282700000000 ] - [ 0.0000111400000000, -0.0002989100000000, 0.0000835600000000 ] - [ 0.0000808900000000, 0.0002585000000000, -0.0000326200000000 ] - [ 0.0000140500000000, -0.0003192000000000, -0.0000517900000000 ] - [ -0.0000808900000000, -0.0002585000000000, -0.0000326200000000 ] - [ -0.0000140500000000, 0.0003192000000000, -0.0000517900000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0005526900000000, -0.0008507000000000, -0.0004257800000000 ] - [ 0.0006623700000000, 0.0007993700000000, 0.0000033600000000 ] - [ -0.0005526900000000, 0.0008507000000000, -0.0004257800000000 ] - [ -0.0006623700000000, -0.0007993700000000, 0.0000033600000000 ] - [ -0.0002475400000000, 0.0000586100000000, -0.0002692500000000 ] - [ -0.0001826300000000, -0.0002389500000000, 0.0000828300000000 ] - [ 0.0002475400000000, -0.0000586100000000, -0.0002692500000000 ] - [ 0.0001826300000000, 0.0002389500000000, 0.0000828300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0573621000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001374500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0073506700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001391100000000 ] - [ 0.0002249900000000, 0.0005881000000000, 0.0000005400000000 ] - [ -0.0004795700000000, 0.0000263100000000, 0.0000402800000000 ] - [ -0.0002249900000000, -0.0005881000000000, 0.0000005400000000 ] - [ 0.0004795700000000, -0.0000263100000000, 0.0000402800000000 ] - [ -0.0001998200000000, 0.0000614400000000, -0.0000262800000000 ] - [ -0.0002384500000000, 0.0001247500000000, -0.0000287900000000 ] - [ -0.0004780300000000, -0.0011055100000000, -0.0061283900000000 ] - [ 0.0001998200000000, -0.0000614400000000, -0.0000262800000000 ] - [ 0.0000242100000000, -0.0001791400000000, -0.0000690900000000 ] - [ -0.0000185500000000, 0.0001688400000000, -0.0000042400000000 ] - [ -0.0000242100000000, 0.0001791400000000, -0.0000690900000000 ] - [ 0.0000185500000000, -0.0001688400000000, -0.0000042400000000 ] - [ 0.0002956200000000, 0.0001020300000000, 0.0000023800000000 ] - [ -0.0012983000000000, 0.0009189200000000, 0.0001839000000000 ] - [ -0.0002956200000000, -0.0001020300000000, 0.0000023800000000 ] - [ 0.0012983000000000, -0.0009189200000000, 0.0001839000000000 ] - [ 0.0014926000000000, 0.0019134800000000, -0.0021782000000000 ] - [ 0.0003465200000000, 0.0000884400000000, -0.0002394000000000 ] - [ -0.0014926000000000, -0.0019134800000000, -0.0021782000000000 ] - [ -0.0003465200000000, -0.0000884400000000, -0.0002394000000000 ] - [ 0.0002512400000000, 0.0000552200000000, 0.0002220100000000 ] - [ 0.0008495500000000, 0.0000024100000000, -0.0012873000000000 ] - [ -0.0002512400000000, -0.0000552200000000, 0.0002220100000000 ] - [ -0.0008495500000000, -0.0000024100000000, -0.0012873000000000 ] - [ -0.0002697700000000, -0.0001022500000000, -0.0002136300000000 ] - [ -0.0004592800000000, -0.0001600800000000, -0.0001715600000000 ] - [ 0.0002697700000000, 0.0001022500000000, -0.0002136300000000 ] - [ 0.0004592800000000, 0.0001600800000000, -0.0001715600000000 ] - [ 0.0003576900000000, 0.0000765300000000, 0.0002230200000000 ] - [ 0.0004780300000000, 0.0011055100000000, -0.0061283900000000 ] - [ -0.0003576900000000, -0.0000765300000000, 0.0002230200000000 ] - [ 0.0002384500000000, -0.0001247500000000, -0.0000287900000000 ] - [ -0.0003000000000000, 0.0001093900000000, 0.0000051500000000 ] - [ 0.0079123700000000, 0.0141824800000000, -0.0197102900000000 ] - [ 0.0003000000000000, -0.0001093900000000, 0.0000051500000000 ] - [ -0.0079123700000000, -0.0141824800000000, -0.0197102900000000 ] - [ 0.0007604100000000, 0.0013456400000000, 0.0031535300000000 ] - [ 0.0003203000000000, -0.0002730400000000, -0.0000050200000000 ] - [ -0.0007604100000000, -0.0013456400000000, 0.0031535300000000 ] - [ -0.0003203000000000, 0.0002730400000000, -0.0000050200000000 ] - [ 0.0000307100000000, -0.0001086100000000, 0.0022168800000000 ] - [ -0.0001712100000000, 0.0002224600000000, -0.0000453000000000 ] - [ -0.0000307100000000, 0.0001086100000000, 0.0022168800000000 ] - [ 0.0001712100000000, -0.0002224600000000, -0.0000453000000000 ] - [ -0.0001967800000000, 0.0000075400000000, 0.0000007600000000 ] - [ 0.0002203400000000, -0.0000500100000000, 0.0004604500000000 ] - [ 0.0001967800000000, -0.0000075400000000, 0.0000007600000000 ] - [ -0.0002203400000000, 0.0000500100000000, 0.0004604500000000 ] - [ 0.0001777000000000, -0.0000817200000000, 0.0002162900000000 ] - [ 0.0009222400000000, -0.0005853100000000, -0.0013386400000000 ] - [ -0.0001777000000000, 0.0000817200000000, 0.0002162900000000 ] - [ -0.0009222400000000, 0.0005853100000000, -0.0013386400000000 ] - [ -0.0001795900000000, 0.0000765300000000, -0.0002200000000000 ] - [ 0.0001439600000000, -0.0001076200000000, 0.0007739000000000 ] - [ 0.0001795900000000, -0.0000765300000000, -0.0002200000000000 ] - [ -0.0001439600000000, 0.0001076200000000, 0.0007739000000000 ] - [ 0.0001384100000000, -0.0003151200000000, -0.0003239200000000 ] - [ -0.0000465300000000, 0.0002252400000000, 0.0000099300000000 ] - [ -0.0001384100000000, 0.0003151200000000, -0.0003239200000000 ] - [ 0.0000465300000000, -0.0002252400000000, 0.0000099300000000 ] - [ -0.0000257700000000, 0.0002641700000000, 0.0001268700000000 ] - [ 0.0000431600000000, -0.0002031100000000, -0.0000418900000000 ] - [ 0.0000257700000000, -0.0002641700000000, 0.0001268700000000 ] - [ -0.0000431600000000, 0.0002031100000000, -0.0000418900000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006591700000000, -0.0008386300000000, 0.0000000000000000 ] - [ 0.0001137600000000, 0.0012614200000000, 0.0000000000000000 ] - [ -0.0006758400000000, 0.0007433800000000, 0.0000000000000000 ] - [ -0.0012211500000000, 0.0003390300000000, 0.0000000000000000 ] - [ -0.0001496100000000, 0.0000702400000000, 0.0000000000000000 ] - [ -0.0003207100000000, -0.0003030100000000, 0.0000000000000000 ] - [ 0.0001431700000000, -0.0003183200000000, 0.0000000000000000 ] - [ 0.0003012200000000, 0.0003134900000000, 0.0000000000000000 ] - [ -0.0000110100000000, -0.0001000400000000, -0.0001451100000000 ] - [ 0.0013458100000000, 0.0018938200000000, -0.0005482500000000 ] - [ -0.0000110100000000, -0.0001000400000000, 0.0001451100000000 ] - [ 0.0013458100000000, 0.0018938200000000, 0.0005482500000000 ] - [ -0.0567816000000000, -0.0266210400000000, 0.0000000000000000 ] - [ 0.0002078300000000, -0.0006387300000000, 0.0000000000000000 ] - [ 0.0236687000000000, 0.0253576400000000, 0.0000000000000000 ] - [ -0.0002279100000000, 0.0005496900000000, 0.0000000000000000 ] - [ -0.0000317600000000, 0.0011475000000000, 0.0000000000000000 ] - [ -0.0002358900000000, -0.0002663100000000, 0.0000000000000000 ] - [ -0.0003859800000000, -0.0000444000000000, -0.0002189700000000 ] - [ 0.0002135500000000, -0.0007403200000000, 0.0000000000000000 ] - [ -0.0000924600000000, -0.0001925500000000, 0.0000000000000000 ] - [ 0.0005072900000000, -0.0006079200000000, 0.0000000000000000 ] - [ 0.0000676200000000, 0.0000802300000000, 0.0000000000000000 ] - [ 0.0010918900000000, -0.0010018100000000, 0.0000000000000000 ] - [ 0.0020668600000000, 0.0031186800000000, 0.0000000000000000 ] - [ 0.0003086700000000, -0.0001922200000000, 0.0000000000000000 ] - [ 0.0007710500000000, -0.0015323200000000, 0.0000000000000000 ] - [ -0.0002818600000000, 0.0000510800000000, 0.0000000000000000 ] - [ 0.0003354500000000, -0.0001198600000000, 0.0002575100000000 ] - [ -0.0000637200000000, 0.0003397900000000, -0.0006711400000000 ] - [ -0.0003859800000000, -0.0000444000000000, 0.0002189700000000 ] - [ 0.0006806600000000, 0.0006086300000000, -0.0002809600000000 ] - [ 0.0003445100000000, -0.0002371300000000, 0.0002636900000000 ] - [ 0.0002781600000000, -0.0000946700000000, -0.0002311500000000 ] - [ -0.0010870000000000, -0.0004647700000000, 0.0001645000000000 ] - [ -0.0002338700000000, -0.0000535600000000, -0.0002774800000000 ] - [ -0.0010870000000000, -0.0004647700000000, -0.0001645000000000 ] - [ -0.0002338700000000, -0.0000535600000000, 0.0002774800000000 ] - [ 0.0003445100000000, -0.0002371300000000, -0.0002636900000000 ] - [ 0.0002781600000000, -0.0000946700000000, 0.0002311500000000 ] - [ -0.0000637200000000, 0.0003397900000000, 0.0006711400000000 ] - [ 0.0003354500000000, -0.0001198600000000, -0.0002575100000000 ] - [ 0.0006806600000000, 0.0006086300000000, 0.0002809600000000 ] - [ 0.0002891800000000, -0.0001097600000000, 0.0000000000000000 ] - [ 0.0050812200000000, -0.0040999700000000, 0.0000000000000000 ] - [ -0.0003026700000000, 0.0000438100000000, 0.0000000000000000 ] - [ 0.0064717800000000, 0.0026185800000000, 0.0000000000000000 ] - [ 0.0003319000000000, 0.0002232700000000, 0.0000000000000000 ] - [ 0.0003732500000000, 0.0004138600000000, 0.0000000000000000 ] - [ -0.0000362900000000, -0.0007949400000000, 0.0000000000000000 ] - [ -0.0003775400000000, -0.0002552300000000, 0.0000000000000000 ] - [ -0.0010912300000000, -0.0004534700000000, 0.0000000000000000 ] - [ -0.0002170900000000, -0.0000420100000000, 0.0000000000000000 ] - [ -0.0000980900000000, 0.0003702300000000, 0.0000000000000000 ] - [ 0.0001942800000000, 0.0003380900000000, 0.0000000000000000 ] - [ 0.0005714400000000, -0.0004504100000000, 0.0000000000000000 ] - [ 0.0017392900000000, -0.0000073600000000, 0.0000000000000000 ] - [ -0.0002485100000000, 0.0002216700000000, 0.0000000000000000 ] - [ -0.0003509900000000, 0.0009725500000000, 0.0000000000000000 ] - [ 0.0000873800000000, 0.0000422000000000, 0.0000000000000000 ] - [ -0.0002973600000000, 0.0004546600000000, -0.0007433000000000 ] - [ 0.0001915300000000, 0.0001422500000000, -0.0002390900000000 ] - [ 0.0079657300000000, -0.0026151500000000, -0.0057097200000000 ] - [ -0.0001837400000000, -0.0000059400000000, -0.0002283500000000 ] - [ 0.0079657300000000, -0.0026151500000000, 0.0057097200000000 ] - [ -0.0001837400000000, -0.0000059400000000, 0.0002283500000000 ] - [ -0.0002973600000000, 0.0004546600000000, 0.0007433000000000 ] - [ 0.0001915300000000, 0.0001422500000000, 0.0002390900000000 ] - [ -0.0000894300000000, -0.0001617000000000, -0.0001821400000000 ] - [ -0.0000090300000000, 0.0003437100000000, 0.0001359200000000 ] - [ 0.0001656700000000, 0.0004669700000000, -0.0002253400000000 ] - [ -0.0002060500000000, 0.0002422300000000, 0.0001799800000000 ] - [ 0.0001656700000000, 0.0004669700000000, 0.0002253400000000 ] - [ -0.0002060500000000, 0.0002422300000000, -0.0001799800000000 ] - [ -0.0000894300000000, -0.0001617000000000, 0.0001821400000000 ] - [ -0.0000090300000000, 0.0003437100000000, -0.0001359200000000 ]- atom: 13 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006686100000000, -0.0007556200000000, 0.0000000000000000 ] - [ 0.0012098900000000, 0.0003378100000000, 0.0000000000000000 ] - [ -0.0006515400000000, 0.0008455100000000, 0.0000000000000000 ] - [ -0.0001037900000000, -0.0019251100000000, 0.0000000000000000 ] - [ -0.0001735900000000, 0.0004526400000000, 0.0000000000000000 ] - [ -0.0000071200000000, -0.0002291800000000, 0.0000000000000000 ] - [ 0.0001827600000000, -0.0002165400000000, 0.0000000000000000 ] - [ 0.0000244600000000, 0.0002130500000000, 0.0000000000000000 ] - [ 0.0000106000000000, 0.0000944500000000, -0.0001326000000000 ] - [ -0.0012997400000000, -0.0018388000000000, 0.0008417600000000 ] - [ 0.0000106000000000, 0.0000944500000000, 0.0001326000000000 ] - [ -0.0012997400000000, -0.0018388000000000, -0.0008417600000000 ] - [ 0.0581268300000000, 0.0287942900000000, 0.0000000000000000 ] - [ 0.0002291600000000, -0.0005442500000000, 0.0000000000000000 ] - [ -0.0250240700000000, -0.0277110400000000, 0.0000000000000000 ] - [ -0.0002097300000000, 0.0006290600000000, 0.0000000000000000 ] - [ -0.0005057100000000, -0.0012241200000000, 0.0000000000000000 ] - [ -0.0002933000000000, 0.0003280600000000, 0.0000000000000000 ] - [ -0.0003164000000000, 0.0001840800000000, -0.0002640300000000 ] - [ 0.0003158100000000, 0.0007942800000000, 0.0000000000000000 ] - [ 0.0000419800000000, -0.0001412300000000, 0.0000000000000000 ] - [ -0.0005639600000000, 0.0009623900000000, 0.0000000000000000 ] - [ -0.0000154000000000, 0.0002463900000000, 0.0000000000000000 ] - [ -0.0010458700000000, 0.0006711700000000, 0.0000000000000000 ] - [ -0.0014638400000000, -0.0028470500000000, 0.0000000000000000 ] - [ 0.0002967500000000, -0.0000274100000000, 0.0000000000000000 ] - [ -0.0014565900000000, 0.0012880500000000, 0.0000000000000000 ] - [ -0.0003207700000000, 0.0001613200000000, 0.0000000000000000 ] - [ 0.0003646500000000, -0.0000283600000000, 0.0002282300000000 ] - [ 0.0007591100000000, -0.0001875500000000, 0.0001839000000000 ] - [ -0.0003164000000000, 0.0001840800000000, 0.0002640300000000 ] - [ -0.0013692100000000, -0.0007301300000000, -0.0002087900000000 ] - [ 0.0002292800000000, 0.0003738500000000, 0.0001476700000000 ] - [ 0.0003033300000000, -0.0000476100000000, -0.0001895800000000 ] - [ 0.0004894700000000, 0.0003239200000000, 0.0002679800000000 ] - [ -0.0003472600000000, 0.0001896600000000, -0.0001434000000000 ] - [ 0.0004894700000000, 0.0003239200000000, -0.0002679800000000 ] - [ -0.0003472600000000, 0.0001896600000000, 0.0001434000000000 ] - [ 0.0002292800000000, 0.0003738500000000, -0.0001476700000000 ] - [ 0.0003033300000000, -0.0000476100000000, 0.0001895800000000 ] - [ 0.0007591100000000, -0.0001875500000000, -0.0001839000000000 ] - [ 0.0003646500000000, -0.0000283600000000, -0.0002282300000000 ] - [ -0.0013692100000000, -0.0007301300000000, 0.0002087900000000 ] - [ 0.0002421000000000, 0.0000394700000000, 0.0000000000000000 ] - [ -0.0054098500000000, 0.0042642000000000, 0.0000000000000000 ] - [ -0.0003182100000000, -0.0002463600000000, 0.0000000000000000 ] - [ -0.0057850700000000, -0.0028568200000000, 0.0000000000000000 ] - [ 0.0002923500000000, -0.0000058500000000, 0.0000000000000000 ] - [ 0.0002770400000000, 0.0001488600000000, 0.0000000000000000 ] - [ 0.0007020500000000, 0.0002082300000000, 0.0000000000000000 ] - [ -0.0002737200000000, -0.0003006400000000, 0.0000000000000000 ] - [ 0.0004436900000000, 0.0010011100000000, 0.0000000000000000 ] - [ -0.0000718700000000, -0.0003928700000000, 0.0000000000000000 ] - [ -0.0001896500000000, 0.0000733800000000, 0.0000000000000000 ] - [ 0.0000975200000000, 0.0001134000000000, 0.0000000000000000 ] - [ -0.0002725500000000, 0.0000028800000000, 0.0000000000000000 ] - [ -0.0020073900000000, 0.0000789300000000, 0.0000000000000000 ] - [ -0.0000394000000000, -0.0002654000000000, 0.0000000000000000 ] - [ 0.0006341900000000, -0.0010008900000000, 0.0000000000000000 ] - [ 0.0001993300000000, 0.0000091900000000, 0.0000000000000000 ] - [ 0.0006457300000000, -0.0006115500000000, 0.0011404500000000 ] - [ 0.0001620000000000, 0.0000173900000000, -0.0001942600000000 ] - [ -0.0084886900000000, 0.0027778300000000, 0.0063633400000000 ] - [ -0.0001682100000000, -0.0001457100000000, -0.0002039800000000 ] - [ -0.0084886900000000, 0.0027778300000000, -0.0063633400000000 ] - [ -0.0001682100000000, -0.0001457100000000, 0.0002039800000000 ] - [ 0.0006457300000000, -0.0006115500000000, -0.0011404500000000 ] - [ 0.0001620000000000, 0.0000173900000000, 0.0001942600000000 ] - [ 0.0000315500000000, -0.0003544600000000, 0.0000869000000000 ] - [ -0.0000501400000000, 0.0001896200000000, -0.0000502500000000 ] - [ -0.0001092700000000, 0.0000646400000000, 0.0001312700000000 ] - [ 0.0002624100000000, -0.0007579300000000, -0.0000750400000000 ] - [ -0.0001092700000000, 0.0000646400000000, -0.0001312700000000 ] - [ 0.0002624100000000, -0.0007579300000000, 0.0000750400000000 ] - [ 0.0000315500000000, -0.0003544600000000, -0.0000869000000000 ] - [ -0.0000501400000000, 0.0001896200000000, 0.0000502500000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006844500000000, -0.0006556400000000, 0.0000000000000000 ] - [ 0.0010854800000000, -0.0001223300000000, 0.0000000000000000 ] - [ -0.0006602600000000, 0.0009245400000000, 0.0000000000000000 ] - [ 0.0001796400000000, -0.0015216800000000, 0.0000000000000000 ] - [ -0.0001864200000000, 0.0005280200000000, 0.0000000000000000 ] - [ -0.0002536200000000, -0.0001790500000000, 0.0000000000000000 ] - [ 0.0001492100000000, -0.0000453000000000, 0.0000000000000000 ] - [ 0.0001433300000000, 0.0003465100000000, 0.0000000000000000 ] - [ 0.0000461000000000, 0.0002649400000000, -0.0001365600000000 ] - [ -0.0017465300000000, -0.0008700000000000, -0.0004691700000000 ] - [ 0.0000461000000000, 0.0002649400000000, 0.0001365600000000 ] - [ -0.0017465300000000, -0.0008700000000000, 0.0004691700000000 ] - [ -0.0269797700000000, -0.0507342200000000, 0.0000000000000000 ] - [ 0.0002658000000000, -0.0005028400000000, 0.0000000000000000 ] - [ 0.0257658000000000, 0.0313049200000000, 0.0000000000000000 ] - [ -0.0001792900000000, 0.0006915300000000, 0.0000000000000000 ] - [ 0.0007120200000000, 0.0016715400000000, 0.0000000000000000 ] - [ -0.0001434100000000, 0.0001106600000000, 0.0000000000000000 ] - [ -0.0002730000000000, 0.0002551800000000, -0.0002886600000000 ] - [ 0.0004097100000000, 0.0006809000000000, 0.0000000000000000 ] - [ -0.0000721400000000, -0.0000586500000000, 0.0000000000000000 ] - [ -0.0006492500000000, 0.0008235600000000, 0.0000000000000000 ] - [ -0.0000396300000000, 0.0003833800000000, 0.0000000000000000 ] - [ -0.0009126400000000, -0.0001184400000000, 0.0000000000000000 ] - [ 0.0028733000000000, 0.0027593800000000, 0.0000000000000000 ] - [ 0.0002599100000000, 0.0000675500000000, 0.0000000000000000 ] - [ -0.0021543500000000, -0.0011358000000000, 0.0000000000000000 ] - [ -0.0003484900000000, 0.0002639000000000, 0.0000000000000000 ] - [ 0.0004181100000000, 0.0001048000000000, 0.0001833000000000 ] - [ 0.0003231600000000, -0.0000035800000000, -0.0006488100000000 ] - [ -0.0002730000000000, 0.0002551800000000, 0.0002886600000000 ] - [ 0.0004612100000000, 0.0000536900000000, -0.0000706500000000 ] - [ 0.0002607100000000, 0.0002764700000000, 0.0002497100000000 ] - [ 0.0003084100000000, 0.0000499900000000, -0.0002087200000000 ] - [ 0.0001273300000000, -0.0003852500000000, 0.0001647600000000 ] - [ -0.0002222900000000, 0.0002012300000000, -0.0002659400000000 ] - [ 0.0001273300000000, -0.0003852500000000, -0.0001647600000000 ] - [ -0.0002222900000000, 0.0002012300000000, 0.0002659400000000 ] - [ 0.0002607100000000, 0.0002764700000000, -0.0002497100000000 ] - [ 0.0003084100000000, 0.0000499900000000, 0.0002087200000000 ] - [ 0.0003231600000000, -0.0000035800000000, 0.0006488100000000 ] - [ 0.0004181100000000, 0.0001048000000000, -0.0001833000000000 ] - [ 0.0004612100000000, 0.0000536900000000, 0.0000706500000000 ] - [ 0.0001903900000000, 0.0001953200000000, 0.0000000000000000 ] - [ 0.0002857400000000, 0.0012819500000000, 0.0000000000000000 ] - [ -0.0003712000000000, -0.0004533600000000, 0.0000000000000000 ] - [ 0.0060871400000000, 0.0025505900000000, 0.0000000000000000 ] - [ 0.0002456700000000, -0.0002440300000000, 0.0000000000000000 ] - [ 0.0003721600000000, 0.0001457100000000, 0.0000000000000000 ] - [ 0.0009364500000000, 0.0009251400000000, 0.0000000000000000 ] - [ -0.0002476600000000, -0.0004233500000000, 0.0000000000000000 ] - [ -0.0002445900000000, 0.0010335000000000, 0.0000000000000000 ] - [ -0.0002905900000000, -0.0006285800000000, 0.0000000000000000 ] - [ -0.0005930200000000, 0.0005601800000000, 0.0000000000000000 ] - [ 0.0000313400000000, -0.0001293200000000, 0.0000000000000000 ] - [ 0.0001821300000000, -0.0002871200000000, 0.0000000000000000 ] - [ -0.0014391300000000, 0.0005822700000000, 0.0000000000000000 ] - [ -0.0001792800000000, -0.0000737600000000, 0.0000000000000000 ] - [ 0.0006747500000000, -0.0000503300000000, 0.0000000000000000 ] - [ 0.0002533400000000, -0.0001458400000000, 0.0000000000000000 ] - [ -0.0004296400000000, 0.0051768300000000, -0.0028118300000000 ] - [ 0.0001547100000000, -0.0001042400000000, -0.0001868200000000 ] - [ -0.0022979800000000, 0.0013769900000000, 0.0015054200000000 ] - [ -0.0001948500000000, -0.0002648800000000, -0.0002332500000000 ] - [ -0.0022979800000000, 0.0013769900000000, -0.0015054200000000 ] - [ -0.0001948500000000, -0.0002648800000000, 0.0002332500000000 ] - [ -0.0004296400000000, 0.0051768300000000, 0.0028118300000000 ] - [ 0.0001547100000000, -0.0001042400000000, 0.0001868200000000 ] - [ 0.0000505800000000, -0.0006093300000000, 0.0000619000000000 ] - [ -0.0000674900000000, 0.0000010000000000, 0.0000644100000000 ] - [ 0.0001425400000000, 0.0000202400000000, -0.0001654200000000 ] - [ 0.0000174400000000, -0.0007047800000000, -0.0001989200000000 ] - [ 0.0001425400000000, 0.0000202400000000, 0.0001654200000000 ] - [ 0.0000174400000000, -0.0007047800000000, 0.0001989200000000 ] - [ 0.0000505800000000, -0.0006093300000000, -0.0000619000000000 ] - [ -0.0000674900000000, 0.0000010000000000, -0.0000644100000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006431700000000, -0.0009379000000000, 0.0000000000000000 ] - [ 0.0002428900000000, 0.0017158100000000, 0.0000000000000000 ] - [ -0.0006675400000000, 0.0006648400000000, 0.0000000000000000 ] - [ -0.0015140800000000, -0.0000627000000000, 0.0000000000000000 ] - [ -0.0001387600000000, 0.0000005500000000, 0.0000000000000000 ] - [ -0.0000714800000000, -0.0003479400000000, 0.0000000000000000 ] - [ 0.0001763400000000, -0.0004874200000000, 0.0000000000000000 ] - [ 0.0001815600000000, 0.0001809000000000, 0.0000000000000000 ] - [ -0.0000468200000000, -0.0002690500000000, -0.0001411900000000 ] - [ 0.0017167300000000, 0.0008675400000000, 0.0007656900000000 ] - [ -0.0000468200000000, -0.0002690500000000, 0.0001411900000000 ] - [ 0.0017167300000000, 0.0008675400000000, -0.0007656900000000 ] - [ 0.0284316800000000, 0.0530085700000000, 0.0000000000000000 ] - [ 0.0001713300000000, -0.0006801000000000, 0.0000000000000000 ] - [ -0.0273009100000000, -0.0332692400000000, 0.0000000000000000 ] - [ -0.0002590100000000, 0.0004876200000000, 0.0000000000000000 ] - [ -0.0012195800000000, -0.0017276800000000, 0.0000000000000000 ] - [ -0.0003806000000000, -0.0000520700000000, 0.0000000000000000 ] - [ -0.0004288600000000, -0.0001130400000000, -0.0001945100000000 ] - [ 0.0001150200000000, -0.0006322700000000, 0.0000000000000000 ] - [ 0.0000236000000000, -0.0002789900000000, 0.0000000000000000 ] - [ 0.0006082100000000, -0.0004996100000000, 0.0000000000000000 ] - [ 0.0000917700000000, -0.0000550300000000, 0.0000000000000000 ] - [ 0.0009771200000000, -0.0002140100000000, 0.0000000000000000 ] - [ -0.0022250900000000, -0.0025231200000000, 0.0000000000000000 ] - [ 0.0003446900000000, -0.0002850900000000, 0.0000000000000000 ] - [ 0.0015357300000000, 0.0009182500000000, 0.0000000000000000 ] - [ -0.0002548100000000, -0.0000510300000000, 0.0000000000000000 ] - [ 0.0002817900000000, -0.0002520100000000, 0.0003021700000000 ] - [ 0.0003767100000000, 0.0001504700000000, 0.0001594000000000 ] - [ -0.0004288600000000, -0.0001130400000000, 0.0001945100000000 ] - [ -0.0011559000000000, -0.0001853500000000, -0.0004058900000000 ] - [ 0.0003186400000000, -0.0001414500000000, 0.0001648900000000 ] - [ 0.0002722700000000, -0.0001914800000000, -0.0002120600000000 ] - [ -0.0006901000000000, 0.0002374900000000, 0.0002646500000000 ] - [ -0.0003583800000000, -0.0000636200000000, -0.0001534300000000 ] - [ -0.0006901000000000, 0.0002374900000000, -0.0002646500000000 ] - [ -0.0003583800000000, -0.0000636200000000, 0.0001534300000000 ] - [ 0.0003186400000000, -0.0001414500000000, -0.0001648900000000 ] - [ 0.0002722700000000, -0.0001914800000000, 0.0002120600000000 ] - [ 0.0003767100000000, 0.0001504700000000, -0.0001594000000000 ] - [ 0.0002817900000000, -0.0002520100000000, -0.0003021700000000 ] - [ -0.0011559000000000, -0.0001853500000000, 0.0004058900000000 ] - [ 0.0003404500000000, -0.0002639500000000, 0.0000000000000000 ] - [ -0.0008112100000000, -0.0010064500000000, 0.0000000000000000 ] - [ -0.0002498300000000, 0.0002476700000000, 0.0000000000000000 ] - [ -0.0054707500000000, -0.0028058500000000, 0.0000000000000000 ] - [ 0.0003777700000000, 0.0004591000000000, 0.0000000000000000 ] - [ 0.0002755500000000, 0.0004148000000000, 0.0000000000000000 ] - [ -0.0002856300000000, -0.0014858500000000, 0.0000000000000000 ] - [ -0.0004035000000000, -0.0001339000000000, 0.0000000000000000 ] - [ -0.0004084100000000, -0.0004826200000000, 0.0000000000000000 ] - [ 0.0000009500000000, 0.0001866000000000, 0.0000000000000000 ] - [ 0.0003065100000000, -0.0001192900000000, 0.0000000000000000 ] - [ 0.0002612600000000, 0.0005779900000000, 0.0000000000000000 ] - [ 0.0001140900000000, -0.0001595300000000, 0.0000000000000000 ] - [ 0.0010818000000000, -0.0005244400000000, 0.0000000000000000 ] - [ -0.0001136100000000, 0.0000296300000000, 0.0000000000000000 ] - [ -0.0003848200000000, 0.0000322700000000, 0.0000000000000000 ] - [ 0.0000339900000000, 0.0001953200000000, 0.0000000000000000 ] - [ 0.0007918000000000, -0.0055026900000000, 0.0033934400000000 ] - [ 0.0001983200000000, 0.0002625800000000, -0.0002462600000000 ] - [ 0.0019394800000000, -0.0012322800000000, -0.0010778600000000 ] - [ -0.0001574900000000, 0.0001118500000000, -0.0001984500000000 ] - [ 0.0019394800000000, -0.0012322800000000, 0.0010778600000000 ] - [ -0.0001574900000000, 0.0001118500000000, 0.0001984500000000 ] - [ 0.0007918000000000, -0.0055026900000000, -0.0033934400000000 ] - [ 0.0001983200000000, 0.0002625800000000, 0.0002462600000000 ] - [ -0.0001088300000000, 0.0000911700000000, -0.0001572900000000 ] - [ 0.0000108300000000, 0.0005269600000000, 0.0000279200000000 ] - [ -0.0000876500000000, 0.0005092300000000, 0.0000755200000000 ] - [ 0.0000395300000000, 0.0001767600000000, 0.0002905500000000 ] - [ -0.0000876500000000, 0.0005092300000000, -0.0000755200000000 ] - [ 0.0000395300000000, 0.0001767600000000, -0.0002905500000000 ] - [ -0.0001088300000000, 0.0000911700000000, 0.0001572900000000 ] - [ 0.0000108300000000, 0.0005269600000000, -0.0000279200000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0006639700000000, -0.0007954300000000, 0.0000035200000000 ] - [ 0.0006621300000000, 0.0007911800000000, 0.0034820300000000 ] - [ -0.0006636300000000, 0.0007961300000000, 0.0000029300000000 ] - [ -0.0006579200000000, -0.0007913800000000, 0.0005654900000000 ] - [ -0.0001625200000000, 0.0002657600000000, 0.0000159100000000 ] - [ -0.0001602700000000, -0.0002663700000000, 0.0001224100000000 ] - [ 0.0001626100000000, -0.0002638500000000, -0.0000061600000000 ] - [ 0.0001626800000000, 0.0002650600000000, 0.0000375800000000 ] - [ -0.0000011200000000, -0.0000010600000000, -0.0001391500000000 ] - [ 0.0014142600000000, -0.0005573900000000, 0.0001009300000000 ] - [ 0.0000016200000000, 0.0000024300000000, 0.0001383400000000 ] - [ -0.0014137400000000, 0.0005266700000000, -0.0001835600000000 ] - [ 0.0002453100000000, 0.0005401900000000, -0.0269919800000000 ] - [ 0.0002188100000000, -0.0005900500000000, 0.0000009500000000 ] - [ -0.0000929200000000, -0.0004528600000000, -0.0001075200000000 ] - [ -0.0002183900000000, 0.0005906600000000, -0.0000019300000000 ] - [ -0.0002684200000000, -0.0000307200000000, -0.0000717100000000 ] - [ -0.0002654500000000, 0.0000330000000000, -0.0000086600000000 ] - [ -0.0003512800000000, 0.0000683100000000, -0.0002435100000000 ] - [ 0.0002652500000000, 0.0000341700000000, -0.0000466700000000 ] - [ -0.0000258400000000, -0.0001643200000000, -0.0000092100000000 ] - [ -0.0000340000000000, 0.0001682600000000, 0.0016881700000000 ] - [ 0.0000253700000000, 0.0001656700000000, -0.0000051100000000 ] - [ 0.0000301200000000, -0.0001676700000000, 0.0012969000000000 ] - [ 0.0003329500000000, 0.0001140300000000, -0.0005790700000000 ] - [ 0.0003021200000000, -0.0001074800000000, 0.0000125200000000 ] - [ -0.0002964500000000, -0.0001109800000000, -0.0004368700000000 ] - [ -0.0003020800000000, 0.0001081800000000, 0.0000085100000000 ] - [ 0.0003553000000000, -0.0000729800000000, 0.0002434000000000 ] - [ -0.0000414000000000, -0.0001412000000000, -0.0003004900000000 ] - [ -0.0003495900000000, 0.0000765500000000, 0.0002413900000000 ] - [ 0.0000382800000000, 0.0003166500000000, 0.0014951400000000 ] - [ 0.0005571600000000, 0.0003069000000000, 0.0000135500000000 ] - [ 0.0002918700000000, -0.0000784500000000, -0.0002167800000000 ] - [ -0.0004112500000000, -0.0004723200000000, 0.0001580900000000 ] - [ -0.0002871100000000, 0.0000978500000000, -0.0001965000000000 ] - [ -0.0001625600000000, 0.0003368700000000, -0.0002528700000000 ] - [ -0.0002938900000000, 0.0000424600000000, 0.0002250200000000 ] - [ 0.0000236500000000, -0.0001677000000000, -0.0004127400000000 ] - [ 0.0002892700000000, -0.0000605100000000, 0.0002042900000000 ] - [ 0.0007471200000000, 0.0002818300000000, 0.0001888700000000 ] - [ 0.0003464200000000, -0.0000702300000000, -0.0002405700000000 ] - [ -0.0007609800000000, -0.0004722500000000, 0.0019996100000000 ] - [ 0.0002646500000000, -0.0000318400000000, 0.0000061100000000 ] - [ -0.0003142000000000, 0.0001437400000000, -0.0005079800000000 ] - [ -0.0003112900000000, -0.0001060700000000, -0.0000018500000000 ] - [ 0.0003112500000000, -0.0000996500000000, 0.0020057900000000 ] - [ 0.0003110400000000, 0.0001040600000000, 0.0000020600000000 ] - [ 0.0003257900000000, 0.0002789500000000, 0.0000056300000000 ] - [ 0.0003310700000000, -0.0002859900000000, -0.0007659700000000 ] - [ -0.0003251400000000, -0.0002799500000000, -0.0000022000000000 ] - [ -0.0003287400000000, 0.0002836100000000, -0.0005357000000000 ] - [ -0.0001444400000000, -0.0002231800000000, -0.0000427400000000 ] - [ -0.0001547300000000, 0.0002247100000000, -0.0005039400000000 ] - [ 0.0001451500000000, 0.0002208400000000, -0.0000134300000000 ] - [ 0.0001459500000000, -0.0002222600000000, -0.0003838400000000 ] - [ -0.0001331600000000, 0.0000292800000000, 0.0003866500000000 ] - [ -0.0001434300000000, -0.0000243600000000, 0.0000177900000000 ] - [ 0.0001457800000000, -0.0000291800000000, 0.0005555000000000 ] - [ 0.0001444800000000, 0.0000231800000000, 0.0000135300000000 ] - [ 0.0004411900000000, -0.0039606000000000, 0.0036313000000000 ] - [ 0.0001765100000000, 0.0000760700000000, -0.0002171300000000 ] - [ -0.0070894200000000, 0.0009208300000000, 0.0058877000000000 ] - [ -0.0001768500000000, -0.0000750100000000, -0.0002168900000000 ] - [ 0.0064979900000000, -0.0006811000000000, 0.0053086900000000 ] - [ -0.0001757400000000, -0.0000815600000000, 0.0002162000000000 ] - [ -0.0000438700000000, 0.0036332100000000, 0.0030723600000000 ] - [ 0.0001761400000000, 0.0000783400000000, 0.0002155800000000 ] - [ -0.0000126300000000, -0.0002119900000000, -0.0000536500000000 ] - [ -0.0000158900000000, 0.0002740100000000, 0.0000563900000000 ] - [ 0.0000014400000000, 0.0001961500000000, -0.0000477700000000 ] - [ 0.0000041600000000, -0.0002515500000000, 0.0000750800000000 ] - [ 0.0000565000000000, 0.0003245200000000, 0.0000485000000000 ] - [ 0.0000601700000000, -0.0002761000000000, -0.0000074800000000 ] - [ -0.0000436900000000, -0.0003131600000000, 0.0000403000000000 ] - [ -0.0000414800000000, 0.0002484500000000, -0.0000390700000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006334400000000, -0.0007425600000000, 0.0000000000000000 ] - [ 0.0005907400000000, 0.0007958600000000, 0.0000000000000000 ] - [ -0.0006824400000000, 0.0008590600000000, 0.0000000000000000 ] - [ -0.0006723500000000, -0.0008423500000000, 0.0000000000000000 ] - [ 0.0023609300000000, 0.0007840600000000, 0.0000000000000000 ] - [ -0.0012890400000000, -0.0004465200000000, 0.0000000000000000 ] - [ 0.0001316300000000, -0.0000935900000000, 0.0000000000000000 ] - [ 0.0001756500000000, 0.0004204000000000, 0.0000000000000000 ] - [ 0.0001232000000000, 0.0001619400000000, -0.0002048400000000 ] - [ -0.0001270900000000, 0.0000834000000000, 0.0001654200000000 ] - [ 0.0001232000000000, 0.0001619400000000, 0.0002048400000000 ] - [ -0.0001270900000000, 0.0000834000000000, -0.0001654200000000 ] - [ 0.0004596900000000, 0.0015595200000000, 0.0000000000000000 ] - [ 0.0002475200000000, -0.0007094300000000, 0.0000000000000000 ] - [ -0.0002714300000000, -0.0004415600000000, 0.0000000000000000 ] - [ -0.0001956000000000, 0.0006659600000000, 0.0000000000000000 ] - [ -0.0444430800000000, -0.0222324300000000, 0.0000000000000000 ] - [ 0.0013357000000000, 0.0005632100000000, 0.0000000000000000 ] - [ -0.0000297900000000, -0.0001058500000000, -0.0005030900000000 ] - [ 0.0003420200000000, 0.0002671700000000, 0.0000000000000000 ] - [ -0.0006267200000000, -0.0007736000000000, 0.0000000000000000 ] - [ 0.0011716400000000, -0.0005033600000000, 0.0000000000000000 ] - [ -0.0000339500000000, 0.0002946800000000, 0.0000000000000000 ] - [ 0.0000387300000000, -0.0000756600000000, 0.0000000000000000 ] - [ 0.0008160200000000, -0.0016428600000000, 0.0000000000000000 ] - [ 0.0001566500000000, -0.0008196200000000, 0.0000000000000000 ] - [ -0.0003174300000000, -0.0000107500000000, 0.0000000000000000 ] - [ -0.0003286200000000, 0.0001913900000000, 0.0000000000000000 ] - [ 0.0004089000000000, 0.0000671200000000, 0.0002261500000000 ] - [ 0.0003021900000000, 0.0001538000000000, -0.0002784900000000 ] - [ -0.0000297900000000, -0.0001058500000000, 0.0005030900000000 ] - [ -0.0007172400000000, -0.0001792100000000, 0.0007099500000000 ] - [ 0.0002632100000000, 0.0001642400000000, 0.0001994200000000 ] - [ 0.0003055500000000, 0.0000316000000000, -0.0002287600000000 ] - [ 0.0028683400000000, 0.0026813300000000, 0.0028609200000000 ] - [ 0.0003910500000000, 0.0003544900000000, -0.0012933700000000 ] - [ 0.0028683400000000, 0.0026813300000000, -0.0028609200000000 ] - [ 0.0003910500000000, 0.0003544900000000, 0.0012933700000000 ] - [ 0.0002632100000000, 0.0001642400000000, -0.0001994200000000 ] - [ 0.0003055500000000, 0.0000316000000000, 0.0002287600000000 ] - [ 0.0003021900000000, 0.0001538000000000, 0.0002784900000000 ] - [ 0.0004089000000000, 0.0000671200000000, -0.0002261500000000 ] - [ -0.0007172400000000, -0.0001792100000000, -0.0007099500000000 ] - [ 0.0002124800000000, 0.0001522000000000, 0.0000000000000000 ] - [ 0.0008266200000000, 0.0006646900000000, 0.0000000000000000 ] - [ -0.0010099700000000, -0.0002285200000000, 0.0000000000000000 ] - [ 0.0002562300000000, -0.0002802000000000, 0.0000000000000000 ] - [ 0.0002741100000000, -0.0001173500000000, 0.0000000000000000 ] - [ 0.0003892200000000, 0.0005541700000000, 0.0000000000000000 ] - [ -0.0000725200000000, -0.0005202400000000, 0.0000000000000000 ] - [ -0.0002946500000000, -0.0004138300000000, 0.0000000000000000 ] - [ -0.0003478700000000, 0.0002635500000000, 0.0000000000000000 ] - [ -0.0008222100000000, -0.0009489800000000, 0.0000000000000000 ] - [ 0.0012680200000000, 0.0002002600000000, 0.0000000000000000 ] - [ 0.0000910800000000, -0.0000044800000000, 0.0000000000000000 ] - [ 0.0001831700000000, -0.0003901600000000, 0.0000000000000000 ] - [ 0.0195200000000000, 0.0232822800000000, 0.0000000000000000 ] - [ -0.0002851700000000, 0.0016405200000000, 0.0000000000000000 ] - [ 0.0000902500000000, -0.0001434800000000, 0.0000000000000000 ] - [ 0.0002026600000000, -0.0001115600000000, 0.0000000000000000 ] - [ 0.0002126500000000, -0.0002302300000000, 0.0004216900000000 ] - [ 0.0001795700000000, -0.0000279000000000, -0.0002108200000000 ] - [ -0.0004028300000000, -0.0002845500000000, 0.0000773100000000 ] - [ -0.0000918700000000, -0.0001723600000000, -0.0002469400000000 ] - [ -0.0004028300000000, -0.0002845500000000, -0.0000773100000000 ] - [ -0.0000918700000000, -0.0001723600000000, 0.0002469400000000 ] - [ 0.0002126500000000, -0.0002302300000000, -0.0004216900000000 ] - [ 0.0001795700000000, -0.0000279000000000, 0.0002108200000000 ] - [ -0.0000011600000000, -0.0004784300000000, -0.0000372100000000 ] - [ -0.0000505700000000, 0.0000626700000000, 0.0000580700000000 ] - [ 0.0046091600000000, -0.0016963100000000, -0.0042749500000000 ] - [ 0.0017161300000000, -0.0009187100000000, 0.0010454000000000 ] - [ 0.0046091600000000, -0.0016963100000000, 0.0042749500000000 ] - [ 0.0017161300000000, -0.0009187100000000, -0.0010454000000000 ] - [ -0.0000011600000000, -0.0004784300000000, 0.0000372100000000 ] - [ -0.0000505700000000, 0.0000626700000000, -0.0000580700000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006939200000000, -0.0008496100000000, 0.0000000000000000 ] - [ 0.0007375400000000, 0.0007948300000000, 0.0000000000000000 ] - [ -0.0006448500000000, 0.0007334200000000, 0.0000000000000000 ] - [ -0.0006553400000000, -0.0007488000000000, 0.0000000000000000 ] - [ -0.0026731500000000, -0.0002523800000000, 0.0000000000000000 ] - [ 0.0009604000000000, -0.0000825700000000, 0.0000000000000000 ] - [ 0.0001930500000000, -0.0004332600000000, 0.0000000000000000 ] - [ 0.0001496800000000, 0.0001103700000000, 0.0000000000000000 ] - [ -0.0001218700000000, -0.0001590200000000, -0.0000747000000000 ] - [ 0.0001255500000000, -0.0000808000000000, 0.0001127200000000 ] - [ -0.0001218700000000, -0.0001590200000000, 0.0000747000000000 ] - [ 0.0001255500000000, -0.0000808000000000, -0.0001127200000000 ] - [ -0.0000141100000000, -0.0003717900000000, 0.0000000000000000 ] - [ 0.0001904500000000, -0.0004725500000000, 0.0000000000000000 ] - [ -0.0001687600000000, -0.0007360800000000, 0.0000000000000000 ] - [ -0.0002422900000000, 0.0005157400000000, 0.0000000000000000 ] - [ 0.0441625800000000, 0.0228606500000000, 0.0000000000000000 ] - [ -0.0018540100000000, -0.0005036300000000, 0.0000000000000000 ] - [ -0.0006687400000000, 0.0002503200000000, 0.0000196400000000 ] - [ 0.0001885400000000, -0.0001990500000000, 0.0000000000000000 ] - [ 0.0005865700000000, 0.0004214400000000, 0.0000000000000000 ] - [ -0.0012254800000000, 0.0008159500000000, 0.0000000000000000 ] - [ 0.0000842000000000, 0.0000375500000000, 0.0000000000000000 ] - [ 0.0000120600000000, -0.0002542500000000, 0.0000000000000000 ] - [ -0.0002091700000000, 0.0018475100000000, 0.0000000000000000 ] - [ 0.0004494300000000, 0.0006076800000000, 0.0000000000000000 ] - [ -0.0002871500000000, -0.0002035100000000, 0.0000000000000000 ] - [ -0.0002760400000000, 0.0000251100000000, 0.0000000000000000 ] - [ 0.0002929900000000, -0.0002094400000000, 0.0002580000000000 ] - [ 0.0003984600000000, -0.0000087500000000, -0.0002067400000000 ] - [ -0.0006687400000000, 0.0002503200000000, -0.0000196400000000 ] - [ 0.0000121200000000, 0.0000406700000000, -0.0011956800000000 ] - [ 0.0003172200000000, -0.0000239900000000, 0.0002211400000000 ] - [ 0.0002755000000000, -0.0001698500000000, -0.0001925100000000 ] - [ -0.0034644100000000, -0.0028634500000000, -0.0024492700000000 ] - [ -0.0009594400000000, -0.0002152300000000, 0.0008595000000000 ] - [ -0.0034644100000000, -0.0028634500000000, 0.0024492700000000 ] - [ -0.0009594400000000, -0.0002152300000000, -0.0008595000000000 ] - [ 0.0003172200000000, -0.0000239900000000, -0.0002211400000000 ] - [ 0.0002755000000000, -0.0001698500000000, 0.0001925100000000 ] - [ 0.0003984600000000, -0.0000087500000000, 0.0002067400000000 ] - [ 0.0002929900000000, -0.0002094400000000, -0.0002580000000000 ] - [ 0.0000121200000000, 0.0000406700000000, 0.0011956800000000 ] - [ 0.0003164800000000, -0.0002149300000000, 0.0000000000000000 ] - [ -0.0014377800000000, -0.0004539100000000, 0.0000000000000000 ] - [ 0.0003841100000000, 0.0000143800000000, 0.0000000000000000 ] - [ 0.0003660600000000, 0.0000671100000000, 0.0000000000000000 ] - [ 0.0003476200000000, 0.0003244900000000, 0.0000000000000000 ] - [ 0.0002534400000000, -0.0000004900000000, 0.0000000000000000 ] - [ 0.0007304400000000, -0.0000385900000000, 0.0000000000000000 ] - [ -0.0003557600000000, -0.0001460000000000, 0.0000000000000000 ] - [ -0.0003028600000000, 0.0002951300000000, 0.0000000000000000 ] - [ 0.0005167500000000, 0.0004934600000000, 0.0000000000000000 ] - [ -0.0015612100000000, 0.0002338300000000, 0.0000000000000000 ] - [ 0.0001987100000000, 0.0004454700000000, 0.0000000000000000 ] - [ 0.0001083800000000, -0.0000556000000000, 0.0000000000000000 ] - [ -0.0200825500000000, -0.0239302900000000, 0.0000000000000000 ] - [ -0.0000089800000000, -0.0016663300000000, 0.0000000000000000 ] - [ 0.0001980300000000, 0.0000945200000000, 0.0000000000000000 ] - [ 0.0000865100000000, 0.0001573700000000, 0.0000000000000000 ] - [ 0.0001403800000000, 0.0000725000000000, 0.0000137400000000 ] - [ 0.0001733000000000, 0.0001828300000000, -0.0002215100000000 ] - [ 0.0000462300000000, 0.0004439900000000, 0.0003578800000000 ] - [ -0.0002603700000000, 0.0000164700000000, -0.0001827000000000 ] - [ 0.0000462300000000, 0.0004439900000000, -0.0003578800000000 ] - [ -0.0002603700000000, 0.0000164700000000, 0.0001827000000000 ] - [ 0.0001403800000000, 0.0000725000000000, -0.0000137400000000 ] - [ 0.0001733000000000, 0.0001828300000000, 0.0002215100000000 ] - [ -0.0000556600000000, -0.0000471500000000, -0.0000567000000000 ] - [ -0.0000068500000000, 0.0004581800000000, 0.0000362900000000 ] - [ -0.0046479200000000, 0.0023148000000000, 0.0043220300000000 ] - [ -0.0015542400000000, 0.0003567200000000, -0.0008382100000000 ] - [ -0.0046479200000000, 0.0023148000000000, -0.0043220300000000 ] - [ -0.0015542400000000, 0.0003567200000000, 0.0008382100000000 ] - [ -0.0000556600000000, -0.0000471500000000, 0.0000567000000000 ] - [ -0.0000068500000000, 0.0004581800000000, -0.0000362900000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007255100000000, -0.0004737600000000, 0.0000000000000000 ] - [ 0.0007128700000000, 0.0008512900000000, 0.0000000000000000 ] - [ -0.0006522000000000, 0.0011041100000000, 0.0000000000000000 ] - [ -0.0006647900000000, -0.0006268500000000, 0.0000000000000000 ] - [ 0.0000286700000000, -0.0001661700000000, 0.0000000000000000 ] - [ -0.0002697600000000, -0.0020927800000000, 0.0000000000000000 ] - [ 0.0000506700000000, 0.0004079400000000, 0.0000000000000000 ] - [ 0.0002541300000000, 0.0009048400000000, 0.0000000000000000 ] - [ 0.0001342400000000, 0.0006862100000000, -0.0002337300000000 ] - [ -0.0001125100000000, 0.0005960600000000, 0.0000485500000000 ] - [ 0.0001342400000000, 0.0006862100000000, 0.0002337300000000 ] - [ -0.0001125100000000, 0.0005960600000000, -0.0000485500000000 ] - [ 0.0013981400000000, 0.0022939600000000, 0.0000000000000000 ] - [ 0.0005168000000000, -0.0005106400000000, 0.0000000000000000 ] - [ -0.0009820200000000, 0.0000620600000000, 0.0000000000000000 ] - [ -0.0001445300000000, 0.0008202800000000, 0.0000000000000000 ] - [ -0.0221105200000000, -0.0636661900000000, 0.0000000000000000 ] - [ -0.0008016800000000, -0.0026418300000000, 0.0000000000000000 ] - [ -0.0003568800000000, 0.0002764500000000, -0.0003927200000000 ] - [ 0.0004976600000000, 0.0008510300000000, 0.0000000000000000 ] - [ -0.0013187500000000, 0.0023877300000000, 0.0000000000000000 ] - [ -0.0000587300000000, -0.0002434600000000, 0.0000000000000000 ] - [ -0.0000628100000000, 0.0006276700000000, 0.0000000000000000 ] - [ 0.0000152900000000, 0.0002378300000000, 0.0000000000000000 ] - [ -0.0003357500000000, -0.0000159700000000, 0.0000000000000000 ] - [ 0.0002957500000000, 0.0003243900000000, 0.0000000000000000 ] - [ -0.0002530900000000, 0.0003036800000000, 0.0000000000000000 ] - [ -0.0004181600000000, 0.0005141900000000, 0.0000000000000000 ] - [ 0.0005476800000000, 0.0004401000000000, 0.0001222400000000 ] - [ 0.0001906300000000, 0.0005043200000000, -0.0003758800000000 ] - [ -0.0003568800000000, 0.0002764500000000, 0.0003927200000000 ] - [ -0.0007313100000000, 0.0003530700000000, -0.0007282800000000 ] - [ 0.0002413000000000, 0.0004718600000000, 0.0001683000000000 ] - [ 0.0002986700000000, 0.0003273100000000, -0.0002779500000000 ] - [ 0.0019810100000000, -0.0025936100000000, 0.0041512200000000 ] - [ 0.0008688900000000, 0.0000634500000000, -0.0022040700000000 ] - [ 0.0019810100000000, -0.0025936100000000, -0.0041512200000000 ] - [ 0.0008688900000000, 0.0000634500000000, 0.0022040700000000 ] - [ 0.0002413000000000, 0.0004718600000000, -0.0001683000000000 ] - [ 0.0002986700000000, 0.0003273100000000, 0.0002779500000000 ] - [ 0.0001906300000000, 0.0005043200000000, 0.0003758800000000 ] - [ 0.0005476800000000, 0.0004401000000000, -0.0001222400000000 ] - [ -0.0007313100000000, 0.0003530700000000, 0.0007282800000000 ] - [ 0.0000812000000000, 0.0006594200000000, 0.0000000000000000 ] - [ 0.0005849500000000, -0.0007646800000000, 0.0000000000000000 ] - [ -0.0007045200000000, -0.0010596900000000, 0.0000000000000000 ] - [ 0.0003772000000000, -0.0008198200000000, 0.0000000000000000 ] - [ 0.0001497300000000, -0.0008269400000000, 0.0000000000000000 ] - [ 0.0011007600000000, 0.0006825100000000, 0.0000000000000000 ] - [ 0.0007050800000000, -0.0005731300000000, 0.0000000000000000 ] - [ -0.0002192700000000, -0.0008242200000000, 0.0000000000000000 ] - [ -0.0004004100000000, -0.0000699200000000, 0.0000000000000000 ] - [ -0.0008469800000000, -0.0009924100000000, 0.0000000000000000 ] - [ 0.0011157200000000, 0.0013582300000000, 0.0000000000000000 ] - [ -0.0000461800000000, -0.0006484500000000, 0.0000000000000000 ] - [ 0.0003327600000000, -0.0009971900000000, 0.0000000000000000 ] - [ 0.0235345000000000, 0.0535994300000000, 0.0000000000000000 ] - [ -0.0005189500000000, 0.0024295300000000, 0.0000000000000000 ] - [ -0.0000577800000000, -0.0006537900000000, 0.0000000000000000 ] - [ 0.0004204200000000, -0.0004852700000000, 0.0000000000000000 ] - [ 0.0002738400000000, -0.0006136500000000, 0.0006585400000000 ] - [ 0.0001566500000000, -0.0004214200000000, -0.0002076800000000 ] - [ -0.0002765600000000, -0.0000774300000000, 0.0005654100000000 ] - [ -0.0004543400000000, -0.0005163200000000, -0.0004577900000000 ] - [ -0.0002765600000000, -0.0000774300000000, -0.0005654100000000 ] - [ -0.0004543400000000, -0.0005163200000000, 0.0004577900000000 ] - [ 0.0002738400000000, -0.0006136500000000, -0.0006585400000000 ] - [ 0.0001566500000000, -0.0004214200000000, 0.0002076800000000 ] - [ 0.0000718100000000, -0.0011067000000000, -0.0000175800000000 ] - [ -0.0001180700000000, -0.0005624200000000, 0.0000803400000000 ] - [ -0.0012756300000000, 0.0029475800000000, 0.0009096600000000 ] - [ -0.0024549000000000, 0.0035916500000000, -0.0024773100000000 ] - [ -0.0012756300000000, 0.0029475800000000, -0.0009096600000000 ] - [ -0.0024549000000000, 0.0035916500000000, 0.0024773100000000 ] - [ 0.0000718100000000, -0.0011067000000000, 0.0000175800000000 ] - [ -0.0001180700000000, -0.0005624200000000, -0.0000803400000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006051900000000, -0.0011186400000000, 0.0000000000000000 ] - [ 0.0006138800000000, 0.0007429400000000, 0.0000000000000000 ] - [ -0.0006782200000000, 0.0004877100000000, 0.0000000000000000 ] - [ -0.0006640200000000, -0.0009647800000000, 0.0000000000000000 ] - [ -0.0003529300000000, 0.0006812600000000, 0.0000000000000000 ] - [ -0.0000465900000000, 0.0015678900000000, 0.0000000000000000 ] - [ 0.0002742800000000, -0.0009360500000000, 0.0000000000000000 ] - [ 0.0000708200000000, -0.0003758000000000, 0.0000000000000000 ] - [ -0.0001334500000000, -0.0006860300000000, -0.0000473300000000 ] - [ 0.0001118100000000, -0.0005938400000000, 0.0002317400000000 ] - [ -0.0001334500000000, -0.0006860300000000, 0.0000473300000000 ] - [ 0.0001118100000000, -0.0005938400000000, -0.0002317400000000 ] - [ -0.0009735600000000, -0.0011051200000000, 0.0000000000000000 ] - [ -0.0000778200000000, -0.0006735500000000, 0.0000000000000000 ] - [ 0.0005525600000000, -0.0012513400000000, 0.0000000000000000 ] - [ -0.0002939300000000, 0.0003609100000000, 0.0000000000000000 ] - [ 0.0229948400000000, 0.0652843500000000, 0.0000000000000000 ] - [ 0.0002648100000000, 0.0026894700000000, 0.0000000000000000 ] - [ -0.0003390700000000, -0.0001381700000000, -0.0000958000000000 ] - [ 0.0000314300000000, -0.0007876800000000, 0.0000000000000000 ] - [ 0.0012548800000000, -0.0027038100000000, 0.0000000000000000 ] - [ 0.0000052800000000, 0.0005863300000000, 0.0000000000000000 ] - [ 0.0001138000000000, -0.0002957600000000, 0.0000000000000000 ] - [ 0.0000362100000000, -0.0005686000000000, 0.0000000000000000 ] - [ 0.0009460400000000, 0.0002373200000000, 0.0000000000000000 ] - [ 0.0003072700000000, -0.0005451200000000, 0.0000000000000000 ] - [ -0.0003509000000000, -0.0005183100000000, 0.0000000000000000 ] - [ -0.0001860100000000, -0.0002985300000000, 0.0000000000000000 ] - [ 0.0001537700000000, -0.0005832800000000, 0.0003630900000000 ] - [ 0.0005106500000000, -0.0003599000000000, -0.0001094600000000 ] - [ -0.0003390700000000, -0.0001381700000000, 0.0000958000000000 ] - [ 0.0000352600000000, -0.0005007200000000, 0.0002532700000000 ] - [ 0.0003398600000000, -0.0003327100000000, 0.0002516400000000 ] - [ 0.0002823800000000, -0.0004659700000000, -0.0001426400000000 ] - [ -0.0025763400000000, 0.0024767300000000, -0.0037575400000000 ] - [ -0.0014441800000000, 0.0000678800000000, 0.0017702600000000 ] - [ -0.0025763400000000, 0.0024767300000000, 0.0037575400000000 ] - [ -0.0014441800000000, 0.0000678800000000, -0.0017702600000000 ] - [ 0.0003398600000000, -0.0003327100000000, -0.0002516400000000 ] - [ 0.0002823800000000, -0.0004659700000000, 0.0001426400000000 ] - [ 0.0005106500000000, -0.0003599000000000, 0.0001094600000000 ] - [ 0.0001537700000000, -0.0005832800000000, -0.0003630900000000 ] - [ 0.0000352600000000, -0.0005007200000000, -0.0002532700000000 ] - [ 0.0004484700000000, -0.0007236500000000, 0.0000000000000000 ] - [ -0.0012126600000000, 0.0009720000000000, 0.0000000000000000 ] - [ 0.0000745200000000, 0.0008473000000000, 0.0000000000000000 ] - [ 0.0002443200000000, 0.0006049100000000, 0.0000000000000000 ] - [ 0.0004731900000000, 0.0010366600000000, 0.0000000000000000 ] - [ -0.0004589200000000, -0.0001030100000000, 0.0000000000000000 ] - [ -0.0000605200000000, 0.0000058200000000, 0.0000000000000000 ] - [ -0.0004306500000000, 0.0002622600000000, 0.0000000000000000 ] - [ -0.0002506700000000, 0.0006291300000000, 0.0000000000000000 ] - [ 0.0005430500000000, 0.0005540900000000, 0.0000000000000000 ] - [ -0.0014220900000000, -0.0009259000000000, 0.0000000000000000 ] - [ 0.0003373000000000, 0.0010906700000000, 0.0000000000000000 ] - [ -0.0000411000000000, 0.0005525300000000, 0.0000000000000000 ] - [ -0.0251444200000000, -0.0553508600000000, 0.0000000000000000 ] - [ 0.0002411100000000, -0.0024491300000000, 0.0000000000000000 ] - [ 0.0003463500000000, 0.0006092000000000, 0.0000000000000000 ] - [ -0.0001321000000000, 0.0005310100000000, 0.0000000000000000 ] - [ 0.0000786900000000, 0.0004556900000000, -0.0002261200000000 ] - [ 0.0001963300000000, 0.0005766300000000, -0.0002254900000000 ] - [ -0.0000707700000000, 0.0002330600000000, -0.0001387600000000 ] - [ 0.0001004800000000, 0.0003631600000000, 0.0000253900000000 ] - [ -0.0000707700000000, 0.0002330600000000, 0.0001387600000000 ] - [ 0.0001004800000000, 0.0003631600000000, -0.0000253900000000 ] - [ 0.0000786900000000, 0.0004556900000000, 0.0002261200000000 ] - [ 0.0001963300000000, 0.0005766300000000, 0.0002254900000000 ] - [ -0.0001288400000000, 0.0005827200000000, -0.0000767400000000 ] - [ 0.0000610600000000, 0.0010846500000000, 0.0000136900000000 ] - [ 0.0012784800000000, -0.0023897300000000, -0.0009449700000000 ] - [ 0.0025426500000000, -0.0041092300000000, 0.0025978400000000 ] - [ 0.0012784800000000, -0.0023897300000000, 0.0009449700000000 ] - [ 0.0025426500000000, -0.0041092300000000, -0.0025978400000000 ] - [ -0.0001288400000000, 0.0005827200000000, 0.0000767400000000 ] - [ 0.0000610600000000, 0.0010846500000000, -0.0000136900000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0006634500000000, -0.0007948100000000, 0.0000828500000000 ] - [ 0.0006636200000000, 0.0007961900000000, -0.0001913200000000 ] - [ -0.0006642300000000, 0.0007958300000000, -0.0000277800000000 ] - [ -0.0006640400000000, -0.0007963700000000, 0.0001098900000000 ] - [ -0.0001570900000000, 0.0002666600000000, -0.0005740100000000 ] - [ -0.0001668800000000, -0.0002676400000000, 0.0027312000000000 ] - [ 0.0001624700000000, -0.0002640100000000, -0.0000012700000000 ] - [ 0.0001626300000000, 0.0002648700000000, 0.0000022200000000 ] - [ -0.0000026500000000, -0.0000538000000000, -0.0001125600000000 ] - [ 0.0000262400000000, 0.0000138200000000, 0.0001673200000000 ] - [ 0.0000024500000000, 0.0000540100000000, 0.0001651600000000 ] - [ -0.0000265200000000, -0.0000135900000000, -0.0001098500000000 ] - [ 0.0002220000000000, 0.0005954200000000, -0.0000717700000000 ] - [ 0.0002189200000000, -0.0005898000000000, -0.0000087200000000 ] - [ -0.0002206500000000, -0.0005898000000000, -0.0000467700000000 ] - [ -0.0002189100000000, 0.0005904800000000, 0.0000060700000000 ] - [ -0.0002618100000000, -0.0001660200000000, -0.0268027100000000 ] - [ -0.0002674000000000, 0.0000338300000000, 0.0013327800000000 ] - [ -0.0001404400000000, -0.0003314800000000, -0.0005252700000000 ] - [ 0.0002651600000000, 0.0000333500000000, -0.0000006900000000 ] - [ -0.0000275400000000, -0.0001651400000000, -0.0003441000000000 ] - [ -0.0000248300000000, 0.0001642000000000, 0.0009148800000000 ] - [ 0.0000254100000000, 0.0001658300000000, 0.0000020000000000 ] - [ 0.0000255100000000, -0.0001652200000000, -0.0000025800000000 ] - [ 0.0003002800000000, 0.0001076700000000, -0.0001746600000000 ] - [ 0.0003018800000000, -0.0001061500000000, 0.0003876500000000 ] - [ -0.0003020900000000, -0.0001075800000000, 0.0000096000000000 ] - [ -0.0003021100000000, 0.0001080700000000, -0.0000029300000000 ] - [ 0.0003602500000000, -0.0000753600000000, 0.0002414100000000 ] - [ 0.0003631500000000, 0.0000633900000000, -0.0002309300000000 ] - [ -0.0005648300000000, 0.0004775500000000, -0.0000449100000000 ] - [ -0.0003350200000000, -0.0006492800000000, 0.0011737900000000 ] - [ 0.0002857900000000, 0.0000757800000000, 0.0002099900000000 ] - [ 0.0002893500000000, -0.0000679100000000, -0.0002111300000000 ] - [ 0.0011804400000000, 0.0028008100000000, 0.0005011200000000 ] - [ -0.0006932800000000, -0.0003921200000000, 0.0005351900000000 ] - [ -0.0017715200000000, -0.0029528800000000, 0.0000663900000000 ] - [ 0.0001097700000000, 0.0005322400000000, 0.0009462600000000 ] - [ 0.0002948100000000, 0.0000639200000000, -0.0002108100000000 ] - [ 0.0002914600000000, -0.0000707600000000, 0.0002097200000000 ] - [ 0.0003378200000000, 0.0000806600000000, 0.0002535500000000 ] - [ 0.0003412000000000, -0.0000678200000000, -0.0002429700000000 ] - [ -0.0003618200000000, 0.0005007800000000, 0.0016493400000000 ] - [ 0.0002647000000000, -0.0000319900000000, 0.0000049000000000 ] - [ -0.0003100300000000, 0.0001041400000000, -0.0002408700000000 ] - [ -0.0003096200000000, -0.0001056100000000, -0.0001480800000000 ] - [ 0.0003109000000000, -0.0001052200000000, -0.0000534500000000 ] - [ 0.0003111300000000, 0.0001044200000000, 0.0000177200000000 ] - [ 0.0003264700000000, 0.0002799900000000, 0.0001384800000000 ] - [ 0.0003236300000000, -0.0002818800000000, -0.0006450400000000 ] - [ -0.0003251900000000, -0.0002800100000000, -0.0000302800000000 ] - [ -0.0003253300000000, 0.0002796900000000, 0.0000137700000000 ] - [ -0.0001480800000000, -0.0002293400000000, 0.0000201200000000 ] - [ -0.0001380800000000, 0.0002280000000000, -0.0020405900000000 ] - [ 0.0001452800000000, 0.0002209600000000, -0.0000012600000000 ] - [ 0.0001455100000000, -0.0002223300000000, -0.0000006100000000 ] - [ -0.0001035200000000, 0.0001113500000000, 0.0058136600000000 ] - [ -0.0001398500000000, -0.0000300200000000, -0.0002755900000000 ] - [ 0.0001442900000000, -0.0000242200000000, -0.0000000800000000 ] - [ 0.0001444900000000, 0.0000231500000000, -0.0000039200000000 ] - [ 0.0001752900000000, -0.0000620400000000, 0.0002277500000000 ] - [ 0.0001724400000000, 0.0000703500000000, -0.0002209400000000 ] - [ -0.0001442700000000, 0.0004857700000000, 0.0002837300000000 ] - [ -0.0001374000000000, -0.0000981600000000, -0.0002144400000000 ] - [ -0.0002093100000000, -0.0003294300000000, -0.0001511000000000 ] - [ -0.0002167000000000, -0.0000566800000000, 0.0002196100000000 ] - [ 0.0001777300000000, -0.0000949400000000, -0.0002071400000000 ] - [ 0.0001800200000000, 0.0000843000000000, 0.0002123500000000 ] - [ -0.0000281800000000, -0.0002612300000000, -0.0000472100000000 ] - [ -0.0000284400000000, 0.0002609500000000, 0.0000457800000000 ] - [ -0.0037459300000000, 0.0022611800000000, 0.0048977700000000 ] - [ 0.0022931500000000, -0.0018239400000000, 0.0029635500000000 ] - [ 0.0036576200000000, -0.0016373600000000, 0.0048683500000000 ] - [ -0.0021256900000000, 0.0012649000000000, 0.0027942000000000 ] - [ -0.0000287400000000, -0.0002633200000000, 0.0000468000000000 ] - [ -0.0000286900000000, 0.0002607200000000, -0.0000485600000000 ]- atom: 19 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0020902700000000, -0.0021326000000000, 0.0007111200000000 ] - [ 0.0006633200000000, 0.0008990400000000, 0.0000048100000000 ] - [ -0.0002876500000000, -0.0000750000000000, -0.0010057100000000 ] - [ -0.0006734600000000, -0.0006803300000000, -0.0000074000000000 ] - [ -0.0013166800000000, 0.0016095500000000, -0.0004829600000000 ] - [ 0.0002143100000000, -0.0005134800000000, -0.0002859700000000 ] - [ 0.0001775300000000, -0.0000303100000000, -0.0000295200000000 ] - [ 0.0002305000000000, 0.0004930100000000, -0.0000042300000000 ] - [ 0.0007838600000000, 0.0021257300000000, -0.0000260900000000 ] - [ -0.0000304400000000, 0.0001918100000000, 0.0001319900000000 ] - [ 0.0005206800000000, 0.0020108000000000, -0.0010135600000000 ] - [ -0.0000279800000000, 0.0001975600000000, -0.0001431000000000 ] - [ 0.0001843200000000, 0.0006686200000000, -0.0000007200000000 ] - [ 0.0012415100000000, -0.0013964900000000, 0.0004034600000000 ] - [ -0.0002331400000000, -0.0005222300000000, 0.0000045000000000 ] - [ -0.0006314100000000, 0.0006187000000000, 0.0003920700000000 ] - [ 0.0000546300000000, -0.0000390400000000, 0.0002104900000000 ] - [ -0.0006244000000000, 0.0004168000000000, 0.0000189500000000 ] - [ -0.0414430600000000, -0.0191257800000000, -0.0096316700000000 ] - [ 0.0003236500000000, 0.0002301000000000, 0.0000094600000000 ] - [ 0.0057998600000000, -0.0003541300000000, 0.0036556600000000 ] - [ -0.0000240700000000, 0.0003090400000000, -0.0000250600000000 ] - [ -0.0000789900000000, 0.0001992300000000, 0.0000209400000000 ] - [ 0.0000364300000000, -0.0000508000000000, 0.0000023500000000 ] - [ 0.0003504700000000, 0.0002574800000000, 0.0000001700000000 ] - [ 0.0019609400000000, -0.0003921700000000, -0.0017798900000000 ] - [ -0.0002674700000000, 0.0000097600000000, 0.0000020000000000 ] - [ -0.0005084600000000, 0.0003334300000000, -0.0000074300000000 ] - [ 0.0011703900000000, 0.0003622800000000, -0.0006600700000000 ] - [ 0.0002873100000000, 0.0002212300000000, -0.0002985700000000 ] - [ -0.0012771000000000, -0.0012151500000000, 0.0015758700000000 ] - [ -0.0002683700000000, -0.0000225000000000, -0.0002674900000000 ] - [ 0.0002881900000000, 0.0001791400000000, 0.0002000400000000 ] - [ 0.0004861000000000, -0.0000234000000000, -0.0004476600000000 ] - [ -0.0003978700000000, -0.0003501700000000, 0.0003572200000000 ] - [ 0.0019249200000000, 0.0016595100000000, -0.0014645100000000 ] - [ -0.0005319700000000, 0.0000766600000000, -0.0002659200000000 ] - [ 0.0009075800000000, 0.0004593500000000, -0.0056415900000000 ] - [ 0.0002935900000000, 0.0001800500000000, -0.0002004400000000 ] - [ 0.0002442000000000, -0.0000293100000000, 0.0002538500000000 ] - [ 0.0003053500000000, 0.0002123500000000, 0.0002741300000000 ] - [ 0.0006031600000000, 0.0002660900000000, 0.0001178300000000 ] - [ -0.0004417800000000, 0.0001059800000000, 0.0001641500000000 ] - [ 0.0002170800000000, 0.0001283500000000, -0.0000126800000000 ] - [ -0.0003241600000000, -0.0001535800000000, 0.0000721700000000 ] - [ 0.0000053700000000, 0.0014351800000000, 0.0010630100000000 ] - [ 0.0003605000000000, -0.0003617000000000, 0.0000060700000000 ] - [ -0.0002973200000000, -0.0017564800000000, -0.0001511200000000 ] - [ 0.0153738600000000, 0.0137484000000000, 0.0156615800000000 ] - [ 0.0002706900000000, -0.0004002900000000, -0.0000625100000000 ] - [ -0.0004798500000000, -0.0006917000000000, -0.0000028900000000 ] - [ -0.0003554800000000, 0.0001601400000000, -0.0000015900000000 ] - [ 0.0083257300000000, 0.0046089200000000, -0.0030716200000000 ] - [ 0.0000938200000000, 0.0003287000000000, -0.0001141400000000 ] - [ -0.0003457100000000, 0.0001227000000000, 0.0001585800000000 ] - [ 0.0001818200000000, -0.0004632200000000, -0.0000082100000000 ] - [ -0.0001364800000000, -0.0000690000000000, -0.0000526000000000 ] - [ 0.0019630900000000, 0.0009744600000000, 0.0022333800000000 ] - [ 0.0000663500000000, -0.0001778100000000, 0.0000011800000000 ] - [ 0.0003133800000000, -0.0000358300000000, 0.0000977600000000 ] - [ 0.0001852400000000, -0.0002115900000000, 0.0002284100000000 ] - [ 0.0006624700000000, 0.0001167000000000, -0.0000393200000000 ] - [ -0.0001772900000000, -0.0000727000000000, 0.0001832500000000 ] - [ -0.0011246000000000, 0.0000108200000000, -0.0004701900000000 ] - [ -0.0001515100000000, -0.0000293700000000, -0.0001797300000000 ] - [ -0.0020237800000000, -0.0000713700000000, 0.0001448800000000 ] - [ 0.0001846900000000, -0.0002135700000000, -0.0002299000000000 ] - [ 0.0005800000000000, 0.0004867300000000, -0.0000335500000000 ] - [ 0.0000325200000000, -0.0004610200000000, -0.0000335800000000 ] - [ -0.0000546700000000, 0.0000378000000000, 0.0000489200000000 ] - [ -0.0000921100000000, 0.0010026300000000, -0.0002144400000000 ] - [ -0.0000918700000000, -0.0009803200000000, 0.0000669800000000 ] - [ 0.0050129200000000, -0.0033882100000000, 0.0000729200000000 ] - [ -0.0001872000000000, -0.0004802500000000, -0.0001501000000000 ] - [ -0.0000222200000000, -0.0004925500000000, 0.0000174600000000 ] - [ -0.0000440400000000, 0.0000086000000000, -0.0000498500000000 ]- atom: 19 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007649100000000, 0.0005470800000000, -0.0007052900000000 ] - [ 0.0006640900000000, 0.0006939600000000, -0.0000046400000000 ] - [ -0.0010489500000000, 0.0016873900000000, 0.0010122400000000 ] - [ -0.0006543700000000, -0.0009108100000000, 0.0000071200000000 ] - [ 0.0010160400000000, -0.0010654800000000, 0.0004665900000000 ] - [ -0.0005337400000000, -0.0000050100000000, 0.0002856700000000 ] - [ 0.0001461900000000, -0.0004969700000000, 0.0000294600000000 ] - [ 0.0000945600000000, 0.0000368300000000, 0.0000041800000000 ] - [ -0.0007838100000000, -0.0021331000000000, -0.0002411900000000 ] - [ 0.0000300100000000, -0.0001901200000000, 0.0001459400000000 ] - [ -0.0005182000000000, -0.0019931200000000, 0.0012598500000000 ] - [ 0.0000278400000000, -0.0001962200000000, -0.0001348200000000 ] - [ 0.0002527500000000, 0.0005129800000000, 0.0000010500000000 ] - [ -0.0008092900000000, 0.0002204600000000, -0.0003959000000000 ] - [ -0.0002047700000000, -0.0006582800000000, -0.0000044900000000 ] - [ 0.0001907000000000, 0.0005650900000000, -0.0003962900000000 ] - [ -0.0005854800000000, -0.0000212200000000, -0.0002137800000000 ] - [ 0.0001038800000000, -0.0003495900000000, -0.0000076700000000 ] - [ 0.0407044900000000, 0.0192655400000000, 0.0084646500000000 ] - [ 0.0002064600000000, -0.0001637700000000, -0.0000096400000000 ] - [ -0.0057886000000000, 0.0000177600000000, -0.0036018400000000 ] - [ -0.0000270200000000, 0.0000235000000000, 0.0000252000000000 ] - [ 0.0001293000000000, 0.0001318700000000, -0.0000212900000000 ] - [ 0.0000148400000000, -0.0002791600000000, -0.0000024900000000 ] - [ 0.0002544400000000, -0.0000396800000000, 0.0000001500000000 ] - [ -0.0013457700000000, 0.0001637800000000, 0.0017535000000000 ] - [ -0.0003366600000000, -0.0002244600000000, -0.0000021300000000 ] - [ -0.0000962200000000, -0.0001171700000000, 0.0000063600000000 ] - [ -0.0004717000000000, -0.0005053600000000, 0.0011446800000000 ] - [ 0.0004134300000000, -0.0000762600000000, -0.0001861600000000 ] - [ 0.0005622900000000, 0.0013336700000000, -0.0011183700000000 ] - [ -0.0004336800000000, -0.0001201600000000, -0.0002168800000000 ] - [ 0.0002924300000000, -0.0000391500000000, 0.0002203500000000 ] - [ 0.0000948900000000, -0.0001148000000000, 0.0000257600000000 ] - [ -0.0001839500000000, 0.0002079700000000, 0.0000629600000000 ] - [ -0.0025624200000000, -0.0015519500000000, 0.0010600900000000 ] - [ -0.0000491900000000, -0.0002166700000000, -0.0001558500000000 ] - [ -0.0015074200000000, -0.0003230900000000, 0.0060838600000000 ] - [ 0.0002875200000000, -0.0000397400000000, -0.0002196400000000 ] - [ 0.0003354400000000, -0.0001096700000000, 0.0001672400000000 ] - [ 0.0003955100000000, -0.0000673100000000, 0.0002106800000000 ] - [ 0.0000980600000000, -0.0004101500000000, -0.0006038400000000 ] - [ -0.0002598500000000, -0.0002486800000000, 0.0003197300000000 ] - [ 0.0003120200000000, -0.0001915400000000, 0.0000126500000000 ] - [ -0.0002992100000000, 0.0003620000000000, -0.0000722900000000 ] - [ -0.0006170700000000, -0.0016082800000000, -0.0010802300000000 ] - [ 0.0002621500000000, 0.0001494700000000, -0.0000059800000000 ] - [ 0.0009134300000000, 0.0019707800000000, 0.0001605300000000 ] - [ -0.0146151800000000, -0.0128747100000000, -0.0152327700000000 ] - [ 0.0003791200000000, -0.0001599800000000, 0.0000628300000000 ] - [ -0.0001674800000000, 0.0001363000000000, 0.0000053700000000 ] - [ -0.0002954200000000, 0.0003983600000000, 0.0000017700000000 ] - [ -0.0088219700000000, -0.0052448600000000, 0.0033838000000000 ] - [ -0.0003874700000000, 0.0001103900000000, 0.0001188900000000 ] - [ 0.0006378900000000, 0.0003161200000000, -0.0001572800000000 ] - [ 0.0001095700000000, 0.0000182200000000, 0.0000084100000000 ] - [ -0.0001529200000000, 0.0001156900000000, 0.0000505700000000 ] - [ -0.0022329600000000, -0.0010171000000000, -0.0022908100000000 ] - [ 0.0002214000000000, 0.0001298400000000, -0.0000011500000000 ] - [ -0.0000241400000000, 0.0000824200000000, -0.0000977100000000 ] - [ 0.0001674600000000, 0.0000546900000000, 0.0002041200000000 ] - [ -0.0003117600000000, 0.0000438200000000, -0.0003943400000000 ] - [ -0.0001754000000000, 0.0002275400000000, 0.0002491800000000 ] - [ 0.0007697100000000, -0.0001739300000000, 0.0000288600000000 ] - [ -0.0002012700000000, 0.0001846300000000, -0.0002529800000000 ] - [ 0.0016848000000000, -0.0000823400000000, 0.0002949900000000 ] - [ 0.0001680400000000, 0.0000568800000000, -0.0002026400000000 ] - [ -0.0002295200000000, -0.0003252000000000, 0.0004667500000000 ] - [ -0.0000896100000000, -0.0000634800000000, -0.0000605600000000 ] - [ -0.0000025800000000, 0.0004838400000000, 0.0000452700000000 ] - [ 0.0001554900000000, -0.0004778800000000, 0.0001198100000000 ] - [ 0.0001456900000000, 0.0004605800000000, 0.0000283200000000 ] - [ -0.0048473300000000, 0.0037450400000000, 0.0000047100000000 ] - [ 0.0002439200000000, -0.0000493300000000, 0.0000548300000000 ] - [ -0.0000352700000000, -0.0000316800000000, 0.0000763800000000 ] - [ -0.0000132900000000, 0.0005129500000000, -0.0000444100000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014982000000000, 0.0004035500000000, -0.0012686400000000 ] - [ 0.0006470800000000, 0.0010311900000000, 0.0000219900000000 ] - [ -0.0012678000000000, 0.0013619500000000, 0.0011837800000000 ] - [ -0.0007002800000000, -0.0005465800000000, -0.0000024000000000 ] - [ 0.0013062300000000, 0.0038147900000000, -0.0029595400000000 ] - [ -0.0001538100000000, 0.0003794400000000, 0.0007898400000000 ] - [ 0.0000960500000000, 0.0003032100000000, -0.0000151800000000 ] - [ 0.0002590300000000, 0.0007616300000000, -0.0000019600000000 ] - [ 0.0008814300000000, 0.0024586300000000, 0.0010172000000000 ] - [ -0.0000650400000000, 0.0004906900000000, 0.0001434600000000 ] - [ 0.0013991000000000, 0.0025574000000000, -0.0018692500000000 ] - [ -0.0000681500000000, 0.0005207600000000, -0.0001552400000000 ] - [ 0.0001042900000000, 0.0007747200000000, -0.0000040300000000 ] - [ -0.0004493900000000, -0.0004764600000000, -0.0003920100000000 ] - [ -0.0002646400000000, -0.0004122500000000, -0.0000013200000000 ] - [ -0.0004868300000000, 0.0005155800000000, -0.0002125000000000 ] - [ -0.0004437500000000, 0.0001744800000000, -0.0004036100000000 ] - [ -0.0001525200000000, 0.0004567800000000, 0.0005745400000000 ] - [ -0.0196969400000000, -0.0385610700000000, -0.0105771900000000 ] - [ 0.0004032400000000, 0.0005443100000000, -0.0000038100000000 ] - [ 0.0003324200000000, -0.0043298200000000, -0.0012587100000000 ] - [ -0.0000242000000000, 0.0004727400000000, -0.0000445800000000 ] - [ -0.0000586700000000, 0.0003577300000000, -0.0000002500000000 ] - [ 0.0000628600000000, 0.0001206300000000, -0.0000023500000000 ] - [ 0.0004589000000000, 0.0004672900000000, 0.0000449000000000 ] - [ 0.0008498800000000, -0.0012756200000000, -0.0000055200000000 ] - [ -0.0002122500000000, 0.0002026400000000, 0.0000014800000000 ] - [ -0.0004187600000000, 0.0004966600000000, 0.0001293400000000 ] - [ 0.0007851200000000, 0.0008948200000000, -0.0004454300000000 ] - [ 0.0002018300000000, 0.0004442600000000, -0.0003684200000000 ] - [ -0.0016200300000000, -0.0029981000000000, 0.0014095400000000 ] - [ -0.0003999400000000, 0.0003580800000000, -0.0002032000000000 ] - [ 0.0002768700000000, 0.0003478800000000, 0.0001314600000000 ] - [ 0.0004923100000000, 0.0001418500000000, -0.0004989200000000 ] - [ -0.0002021800000000, 0.0003612200000000, 0.0000957500000000 ] - [ 0.0012367700000000, 0.0004357700000000, -0.0008610900000000 ] - [ -0.0004801100000000, 0.0000563700000000, -0.0002036300000000 ] - [ 0.0011694200000000, 0.0004605400000000, -0.0035700200000000 ] - [ 0.0002929500000000, 0.0003562300000000, -0.0001285000000000 ] - [ 0.0001702500000000, 0.0001227800000000, 0.0002363100000000 ] - [ 0.0002107400000000, 0.0004393300000000, 0.0003634700000000 ] - [ 0.0006896100000000, 0.0005412000000000, 0.0003164700000000 ] - [ -0.0005278800000000, 0.0002928700000000, 0.0000803600000000 ] - [ 0.0001833500000000, 0.0003998500000000, -0.0000085400000000 ] - [ -0.0002984500000000, -0.0005602100000000, 0.0000080200000000 ] - [ 0.0016356700000000, 0.0030997100000000, -0.0017229100000000 ] - [ 0.0004249100000000, -0.0007714800000000, 0.0000088800000000 ] - [ -0.0002806100000000, -0.0019866000000000, -0.0004054100000000 ] - [ 0.0140943900000000, 0.0205695500000000, 0.0189396900000000 ] - [ 0.0002554600000000, -0.0006057800000000, 0.0000166900000000 ] - [ -0.0000798600000000, -0.0007419200000000, 0.0002729200000000 ] - [ -0.0003989500000000, -0.0000294300000000, -0.0000038200000000 ] - [ 0.0037083800000000, 0.0034527700000000, 0.0004440900000000 ] - [ -0.0001621800000000, -0.0004732100000000, -0.0000786600000000 ] - [ -0.0004347700000000, -0.0005347500000000, 0.0003412700000000 ] - [ 0.0002851700000000, -0.0008406200000000, -0.0000176700000000 ] - [ -0.0001409000000000, -0.0005991700000000, 0.0001168800000000 ] - [ 0.0015038500000000, 0.0005254800000000, 0.0013324000000000 ] - [ -0.0000669100000000, -0.0004097200000000, 0.0000072900000000 ] - [ 0.0003829900000000, -0.0002062000000000, 0.0000888600000000 ] - [ 0.0001969900000000, -0.0004125400000000, 0.0002438900000000 ] - [ 0.0003938300000000, 0.0001270100000000, -0.0002829300000000 ] - [ -0.0001287200000000, -0.0002483600000000, 0.0001595900000000 ] - [ -0.0006323900000000, 0.0014602500000000, -0.0004448500000000 ] - [ -0.0001234900000000, -0.0002767200000000, -0.0001680700000000 ] - [ 0.0000361800000000, 0.0010096000000000, 0.0004855400000000 ] - [ 0.0001963600000000, -0.0004099200000000, -0.0002454400000000 ] - [ 0.0001934700000000, 0.0000037000000000, 0.0005035900000000 ] - [ 0.0001391700000000, -0.0008563600000000, -0.0000742400000000 ] - [ -0.0001020400000000, -0.0003098700000000, 0.0000362500000000 ] - [ -0.0003353400000000, 0.0012735800000000, -0.0001809700000000 ] - [ -0.0000653800000000, -0.0009942500000000, 0.0001347200000000 ] - [ -0.0032615900000000, 0.0058154900000000, -0.0003270500000000 ] - [ -0.0001846300000000, -0.0005983100000000, -0.0002702100000000 ] - [ 0.0000215700000000, -0.0008445000000000, 0.0000484300000000 ] - [ -0.0000905500000000, -0.0003471500000000, -0.0000408600000000 ]- atom: 19 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0028118900000000, -0.0019786200000000, 0.0012662200000000 ] - [ 0.0006804900000000, 0.0005609000000000, -0.0000218600000000 ] - [ -0.0000820600000000, 0.0002371700000000, -0.0011713400000000 ] - [ -0.0006274000000000, -0.0010450100000000, 0.0000022100000000 ] - [ -0.0016502300000000, -0.0033297400000000, 0.0029981700000000 ] - [ -0.0001697000000000, -0.0009101700000000, -0.0007942300000000 ] - [ 0.0002284600000000, -0.0008312200000000, 0.0000147300000000 ] - [ 0.0000659700000000, -0.0002332000000000, 0.0000016700000000 ] - [ -0.0008794500000000, -0.0024658200000000, -0.0012957100000000 ] - [ 0.0000647700000000, -0.0004904700000000, 0.0001346000000000 ] - [ -0.0013636000000000, -0.0025037000000000, 0.0020934000000000 ] - [ 0.0000685000000000, -0.0005207600000000, -0.0001227300000000 ] - [ 0.0003330200000000, 0.0004063600000000, 0.0000042100000000 ] - [ 0.0008891100000000, -0.0007152900000000, 0.0003970700000000 ] - [ -0.0001731500000000, -0.0007690100000000, 0.0000012800000000 ] - [ 0.0000405400000000, 0.0006697500000000, 0.0002102900000000 ] - [ -0.0000874200000000, -0.0002401100000000, 0.0004055300000000 ] - [ -0.0003724800000000, -0.0003968600000000, -0.0005755500000000 ] - [ 0.0186926300000000, 0.0387444800000000, 0.0096898900000000 ] - [ 0.0001267000000000, -0.0004792500000000, 0.0000036700000000 ] - [ -0.0003866500000000, 0.0039790000000000, 0.0012350500000000 ] - [ -0.0000271400000000, -0.0001408200000000, 0.0000449100000000 ] - [ 0.0001077800000000, -0.0000269100000000, 0.0000005900000000 ] - [ -0.0000116600000000, -0.0004513500000000, 0.0000022400000000 ] - [ 0.0001453600000000, -0.0002503400000000, -0.0000450900000000 ] - [ -0.0002625000000000, 0.0010523700000000, 0.0000207000000000 ] - [ -0.0003919200000000, -0.0004183600000000, -0.0000016100000000 ] - [ -0.0001860500000000, -0.0002810700000000, -0.0001294200000000 ] - [ -0.0000824700000000, -0.0010354700000000, 0.0009252200000000 ] - [ 0.0004995300000000, -0.0003003500000000, -0.0001158900000000 ] - [ 0.0009291200000000, 0.0031335800000000, -0.0009413100000000 ] - [ -0.0003021500000000, -0.0005019300000000, -0.0002807900000000 ] - [ 0.0003039900000000, -0.0002084900000000, 0.0002893900000000 ] - [ 0.0000896500000000, -0.0002815400000000, 0.0000756000000000 ] - [ -0.0003801700000000, -0.0004977900000000, 0.0003272400000000 ] - [ -0.0018547800000000, -0.0003008800000000, 0.0004450100000000 ] - [ -0.0001015500000000, -0.0001927700000000, -0.0002170900000000 ] - [ -0.0017803200000000, -0.0003353900000000, 0.0039601800000000 ] - [ 0.0002884400000000, -0.0002166100000000, -0.0002922300000000 ] - [ 0.0004102500000000, -0.0002630200000000, 0.0001855800000000 ] - [ 0.0004907500000000, -0.0002952200000000, 0.0001209500000000 ] - [ 0.0000133600000000, -0.0006819000000000, -0.0008002600000000 ] - [ -0.0001728600000000, -0.0004363800000000, 0.0004045700000000 ] - [ 0.0003461100000000, -0.0004644500000000, 0.0000085600000000 ] - [ -0.0003242700000000, 0.0007702200000000, -0.0000084700000000 ] - [ -0.0022201300000000, -0.0032926800000000, 0.0016518100000000 ] - [ 0.0001975900000000, 0.0005612800000000, -0.0000087700000000 ] - [ 0.0009052800000000, 0.0021970700000000, 0.0004199600000000 ] - [ -0.0131564100000000, -0.0198952300000000, -0.0185043800000000 ] - [ 0.0003947100000000, 0.0000462300000000, -0.0000169100000000 ] - [ -0.0005677000000000, 0.0001849300000000, -0.0002698900000000 ] - [ -0.0002517600000000, 0.0005887300000000, 0.0000039500000000 ] - [ -0.0041140400000000, -0.0039209000000000, -0.0003458900000000 ] - [ -0.0001262800000000, 0.0009191300000000, 0.0000765800000000 ] - [ 0.0007229100000000, 0.0009760500000000, -0.0003382300000000 ] - [ 0.0000055600000000, 0.0003972600000000, 0.0000179200000000 ] - [ -0.0001450800000000, 0.0006462100000000, -0.0001191200000000 ] - [ -0.0017719500000000, -0.0005294500000000, -0.0013350300000000 ] - [ 0.0003551300000000, 0.0003625600000000, -0.0000072200000000 ] - [ -0.0000941400000000, 0.0002541200000000, -0.0000884800000000 ] - [ 0.0001555800000000, 0.0002565800000000, 0.0001885300000000 ] - [ -0.0000397400000000, 0.0000360100000000, -0.0001510600000000 ] - [ -0.0002239700000000, 0.0004037200000000, 0.0002726900000000 ] - [ 0.0002734600000000, -0.0016134300000000, 0.0000072400000000 ] - [ -0.0002293900000000, 0.0004319700000000, -0.0002644300000000 ] - [ -0.0004037600000000, -0.0011559100000000, -0.0000494100000000 ] - [ 0.0001562300000000, 0.0002541200000000, -0.0001869900000000 ] - [ 0.0001567700000000, 0.0001595600000000, -0.0000669400000000 ] - [ -0.0001958900000000, 0.0003333900000000, -0.0000203200000000 ] - [ 0.0000451100000000, 0.0008331000000000, 0.0000578200000000 ] - [ 0.0003992600000000, -0.0007552200000000, 0.0000859100000000 ] - [ 0.0001177600000000, 0.0004699500000000, -0.0000401400000000 ] - [ 0.0035058800000000, -0.0054740700000000, 0.0004074100000000 ] - [ 0.0002381200000000, 0.0000695100000000, 0.0001757700000000 ] - [ -0.0000790300000000, 0.0003216600000000, 0.0000457000000000 ] - [ 0.0000334800000000, 0.0008701700000000, -0.0000532400000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0006075200000000, 0.0007271300000000, -0.0010232900000000 ] - [ 0.0006727300000000, 0.0007333900000000, -0.0000094800000000 ] - [ -0.0008246200000000, 0.0010984700000000, 0.0005239100000000 ] - [ -0.0006566400000000, -0.0008802600000000, 0.0000031900000000 ] - [ 0.0001457100000000, -0.0023985200000000, 0.0004805100000000 ] - [ -0.0002644100000000, -0.0002461500000000, -0.0000632600000000 ] - [ 0.0001147400000000, -0.0004866000000000, 0.0000458500000000 ] - [ 0.0000967500000000, 0.0000634500000000, 0.0000042600000000 ] - [ -0.0016415300000000, -0.0027872400000000, 0.0056596700000000 ] - [ 0.0000178600000000, -0.0001588000000000, 0.0001577500000000 ] - [ 0.0004606300000000, 0.0000847500000000, 0.0025686000000000 ] - [ 0.0000144600000000, -0.0001567400000000, -0.0001419600000000 ] - [ 0.0002407900000000, 0.0005438600000000, -0.0000013200000000 ] - [ 0.0001877900000000, -0.0007574900000000, 0.0017432200000000 ] - [ -0.0002042600000000, -0.0006494600000000, 0.0000009800000000 ] - [ 0.0002025900000000, 0.0001911800000000, -0.0000575400000000 ] - [ -0.0005279100000000, -0.0001800500000000, -0.0002857900000000 ] - [ 0.0006868800000000, 0.0005169600000000, 0.0014054500000000 ] - [ -0.0096097800000000, -0.0103466100000000, -0.0626358000000000 ] - [ 0.0002492900000000, -0.0000867400000000, -0.0000011400000000 ] - [ 0.0033009800000000, -0.0016662800000000, -0.0001245700000000 ] - [ 0.0000010400000000, 0.0000947100000000, 0.0000287600000000 ] - [ -0.0000015500000000, 0.0002582000000000, -0.0000207100000000 ] - [ 0.0000163100000000, -0.0002585200000000, 0.0000007800000000 ] - [ 0.0002175900000000, -0.0000208900000000, -0.0000072000000000 ] - [ -0.0021453600000000, -0.0004042900000000, 0.0019710100000000 ] - [ -0.0003383800000000, -0.0002074400000000, -0.0000085900000000 ] - [ -0.0002218400000000, -0.0002012300000000, 0.0000052800000000 ] - [ -0.0005468300000000, -0.0007519700000000, 0.0013250300000000 ] - [ 0.0004063500000000, -0.0000532300000000, -0.0002074900000000 ] - [ -0.0016905300000000, -0.0010962400000000, 0.0079506700000000 ] - [ -0.0003763400000000, -0.0001090900000000, -0.0002173000000000 ] - [ 0.0003075800000000, -0.0000212600000000, 0.0001957900000000 ] - [ 0.0000665500000000, -0.0001322600000000, 0.0001327200000000 ] - [ -0.0002243600000000, -0.0000132100000000, 0.0001403700000000 ] - [ 0.0036038300000000, 0.0018870100000000, 0.0008231400000000 ] - [ -0.0002524500000000, -0.0001144800000000, -0.0000149400000000 ] - [ 0.0014959600000000, 0.0010156400000000, 0.0101346800000000 ] - [ 0.0003010500000000, -0.0000325200000000, -0.0002070300000000 ] - [ 0.0004505300000000, -0.0000908900000000, 0.0002873800000000 ] - [ 0.0003819400000000, -0.0000480300000000, 0.0002269000000000 ] - [ -0.0000076200000000, -0.0006262700000000, -0.0001373000000000 ] - [ -0.0002732100000000, -0.0002329900000000, 0.0003319500000000 ] - [ 0.0003007400000000, -0.0001644000000000, 0.0000109700000000 ] - [ -0.0002831500000000, 0.0003067100000000, -0.0000572300000000 ] - [ -0.0002492600000000, 0.0012634000000000, -0.0061956900000000 ] - [ 0.0002817100000000, 0.0000897100000000, -0.0000054100000000 ] - [ 0.0000767800000000, 0.0009394400000000, -0.0003645400000000 ] - [ 0.0186576500000000, 0.0203656800000000, 0.0304088300000000 ] - [ 0.0003510200000000, -0.0001786000000000, 0.0000181800000000 ] - [ -0.0002294700000000, -0.0000451700000000, -0.0005725900000000 ] - [ -0.0002998000000000, 0.0003814800000000, -0.0000067900000000 ] - [ -0.0094207400000000, -0.0051582700000000, 0.0103431600000000 ] - [ -0.0002546600000000, 0.0002680800000000, 0.0001912100000000 ] - [ 0.0008018000000000, 0.0004736900000000, -0.0003570300000000 ] - [ 0.0001282600000000, -0.0000128100000000, 0.0000171400000000 ] - [ -0.0000584200000000, 0.0000738500000000, 0.0000412500000000 ] - [ -0.0035900800000000, -0.0000756700000000, -0.0057957100000000 ] - [ 0.0001781100000000, 0.0000949500000000, -0.0000012600000000 ] - [ 0.0001560400000000, 0.0001886800000000, -0.0001270200000000 ] - [ 0.0001692800000000, 0.0000276000000000, 0.0001959800000000 ] - [ 0.0000033000000000, 0.0003074200000000, -0.0004782200000000 ] - [ -0.0001929200000000, 0.0001734700000000, 0.0002156100000000 ] - [ 0.0002221700000000, -0.0011741600000000, -0.0011748800000000 ] - [ -0.0001919600000000, 0.0001674200000000, -0.0002151400000000 ] - [ -0.0008207000000000, -0.0000304000000000, 0.0014295100000000 ] - [ 0.0001704900000000, 0.0000258200000000, -0.0001928000000000 ] - [ 0.0000612800000000, 0.0000896000000000, 0.0004991200000000 ] - [ -0.0001004000000000, -0.0001053600000000, -0.0000528700000000 ] - [ 0.0000067600000000, 0.0004330400000000, 0.0000465800000000 ] - [ -0.0001285700000000, 0.0004180800000000, -0.0005808400000000 ] - [ 0.0000903300000000, 0.0001189400000000, -0.0000405200000000 ] - [ 0.0007988000000000, -0.0013419000000000, 0.0015095700000000 ] - [ 0.0001921200000000, -0.0003193500000000, 0.0002470000000000 ] - [ -0.0000432100000000, -0.0000756800000000, 0.0000965900000000 ] - [ -0.0000080800000000, 0.0004756700000000, -0.0000353100000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0019331300000000, -0.0023216400000000, 0.0010073300000000 ] - [ 0.0006546000000000, 0.0008594300000000, 0.0000099800000000 ] - [ -0.0005042300000000, 0.0004939100000000, -0.0005228700000000 ] - [ -0.0006710100000000, -0.0007095900000000, -0.0000033800000000 ] - [ -0.0004590200000000, 0.0029271600000000, -0.0005057300000000 ] - [ -0.0000606300000000, -0.0002746700000000, 0.0000715800000000 ] - [ 0.0002109600000000, -0.0000382900000000, -0.0000469000000000 ] - [ 0.0002294100000000, 0.0004689800000000, -0.0000039500000000 ] - [ 0.0016802300000000, 0.0028876300000000, -0.0060415700000000 ] - [ -0.0000186600000000, 0.0001620900000000, 0.0001201100000000 ] - [ -0.0004686600000000, -0.0000998100000000, -0.0022740900000000 ] - [ -0.0000147500000000, 0.0001598100000000, -0.0001357700000000 ] - [ 0.0001958700000000, 0.0006380300000000, 0.0000016200000000 ] - [ 0.0002601500000000, -0.0004224000000000, -0.0017513500000000 ] - [ -0.0002336000000000, -0.0005306800000000, -0.0000010400000000 ] - [ -0.0006526200000000, 0.0009995400000000, 0.0000550500000000 ] - [ -0.0000053100000000, 0.0001168500000000, 0.0002849100000000 ] - [ -0.0012187400000000, -0.0004644900000000, -0.0014169300000000 ] - [ 0.0084902400000000, 0.0099240700000000, 0.0607507500000000 ] - [ 0.0002811500000000, 0.0001541100000000, 0.0000010700000000 ] - [ -0.0033422400000000, 0.0013310600000000, 0.0001187300000000 ] - [ -0.0000526800000000, 0.0002373600000000, -0.0000287600000000 ] - [ 0.0000519400000000, 0.0000720100000000, 0.0000212800000000 ] - [ 0.0000350900000000, -0.0000705700000000, -0.0000008800000000 ] - [ 0.0003872000000000, 0.0002381200000000, 0.0000074400000000 ] - [ 0.0027984500000000, 0.0001896900000000, -0.0019927800000000 ] - [ -0.0002651300000000, -0.0000063200000000, 0.0000084800000000 ] - [ -0.0003836600000000, 0.0004244800000000, -0.0000039000000000 ] - [ 0.0012580000000000, 0.0006185800000000, -0.0008507900000000 ] - [ 0.0002939600000000, 0.0001993700000000, -0.0002775100000000 ] - [ 0.0010032900000000, 0.0012545300000000, -0.0072719200000000 ] - [ -0.0003257500000000, -0.0000316700000000, -0.0002657900000000 ] - [ 0.0002731300000000, 0.0001621800000000, 0.0002251700000000 ] - [ 0.0005195500000000, -0.0000056300000000, -0.0005571700000000 ] - [ -0.0003568600000000, -0.0001195600000000, 0.0002799100000000 ] - [ -0.0041858500000000, -0.0017476300000000, -0.0012240400000000 ] - [ -0.0003308000000000, -0.0000226600000000, -0.0004066900000000 ] - [ -0.0021074100000000, -0.0008843500000000, -0.0097907700000000 ] - [ 0.0002802200000000, 0.0001738200000000, -0.0002136200000000 ] - [ 0.0001298800000000, -0.0000481300000000, 0.0001311100000000 ] - [ 0.0003185800000000, 0.0001944600000000, 0.0002582400000000 ] - [ 0.0007142100000000, 0.0004904100000000, -0.0003543100000000 ] - [ -0.0004287900000000, 0.0000910700000000, 0.0001510700000000 ] - [ 0.0002289700000000, 0.0001020500000000, -0.0000109900000000 ] - [ -0.0003385600000000, -0.0001006100000000, 0.0000564900000000 ] - [ -0.0003466800000000, -0.0014776700000000, 0.0060981100000000 ] - [ 0.0003414800000000, -0.0003037200000000, 0.0000055400000000 ] - [ 0.0005430700000000, -0.0007395800000000, 0.0003437500000000 ] - [ -0.0172264100000000, -0.0190345500000000, -0.0293698900000000 ] - [ 0.0002992200000000, -0.0003827700000000, -0.0000177000000000 ] - [ -0.0004254300000000, -0.0005345400000000, 0.0005913000000000 ] - [ -0.0003511200000000, 0.0001759100000000, 0.0000068700000000 ] - [ 0.0086464400000000, 0.0044048400000000, -0.0098382600000000 ] - [ -0.0000368000000000, 0.0001711800000000, -0.0001938400000000 ] - [ -0.0005195600000000, -0.0000335200000000, 0.0003642700000000 ] - [ 0.0001628500000000, -0.0004342300000000, -0.0000172400000000 ] - [ -0.0002298000000000, -0.0000303800000000, -0.0000411000000000 ] - [ 0.0033326000000000, 0.0000265900000000, 0.0058381800000000 ] - [ 0.0001094000000000, -0.0001441500000000, 0.0000014300000000 ] - [ 0.0001314800000000, -0.0001436300000000, 0.0001284900000000 ] - [ 0.0001835400000000, -0.0001854400000000, 0.0002368000000000 ] - [ 0.0003564200000000, -0.0001493800000000, 0.0000480500000000 ] - [ -0.0001598400000000, -0.0000194100000000, 0.0002167700000000 ] - [ -0.0005841200000000, 0.0010215800000000, 0.0007482300000000 ] - [ -0.0001609200000000, -0.0000140200000000, -0.0002174600000000 ] - [ 0.0004575400000000, -0.0001192700000000, -0.0010090000000000 ] - [ 0.0001823500000000, -0.0001834200000000, -0.0002400300000000 ] - [ 0.0002914200000000, 0.0000729900000000, -0.0000699500000000 ] - [ 0.0000445300000000, -0.0004209600000000, -0.0000411600000000 ] - [ -0.0000643300000000, 0.0000871900000000, 0.0000476100000000 ] - [ 0.0001900800000000, 0.0001113700000000, 0.0004957400000000 ] - [ -0.0000349400000000, -0.0006458400000000, 0.0001366800000000 ] - [ -0.0007347000000000, 0.0018661600000000, -0.0014513800000000 ] - [ -0.0001377200000000, -0.0002064000000000, -0.0003451400000000 ] - [ -0.0000139000000000, -0.0004509800000000, -0.0000034900000000 ] - [ -0.0000494400000000, 0.0000439300000000, -0.0000590000000000 ]- atom: 21 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0028144500000000, -0.0007806700000000, 0.0000000000000000 ] - [ 0.0006717400000000, 0.0008028400000000, 0.0000000000000000 ] - [ 0.0005520300000000, 0.0013952000000000, 0.0000000000000000 ] - [ -0.0006713200000000, -0.0008119400000000, 0.0000000000000000 ] - [ 0.0004740500000000, 0.0003033600000000, 0.0000000000000000 ] - [ -0.0003176500000000, 0.0000862000000000, 0.0000000000000000 ] - [ 0.0001532300000000, -0.0003142800000000, 0.0000000000000000 ] - [ 0.0001509500000000, 0.0002118400000000, 0.0000000000000000 ] - [ -0.0005376500000000, -0.0004365800000000, -0.0001846000000000 ] - [ 0.0000020400000000, -0.0000471200000000, 0.0001459300000000 ] - [ -0.0005376500000000, -0.0004365800000000, 0.0001846000000000 ] - [ 0.0000020400000000, -0.0000471200000000, -0.0001459300000000 ] - [ 0.0001516600000000, 0.0005422000000000, 0.0000000000000000 ] - [ 0.0007514200000000, 0.0000376700000000, 0.0000000000000000 ] - [ -0.0001767100000000, -0.0006564000000000, 0.0000000000000000 ] - [ 0.0008515300000000, 0.0015391300000000, 0.0000000000000000 ] - [ -0.0008800200000000, -0.0013162800000000, 0.0000000000000000 ] - [ 0.0009461100000000, 0.0000611600000000, 0.0000000000000000 ] - [ 0.0054161300000000, 0.0004481500000000, 0.0030596200000000 ] - [ 0.0002064300000000, -0.0000559800000000, 0.0000000000000000 ] - [ -0.0621955700000000, 0.0176490900000000, 0.0000000000000000 ] - [ -0.0000133500000000, 0.0001936100000000, 0.0000000000000000 ] - [ 0.0003053500000000, 0.0001545300000000, 0.0000000000000000 ] - [ 0.0000268800000000, -0.0001919200000000, 0.0000000000000000 ] - [ 0.0003529900000000, 0.0000897400000000, 0.0000000000000000 ] - [ -0.0005982700000000, -0.0005601800000000, 0.0000000000000000 ] - [ -0.0003062200000000, -0.0001374600000000, 0.0000000000000000 ] - [ -0.0001347500000000, 0.0002582300000000, 0.0000000000000000 ] - [ 0.0002461900000000, -0.0001549100000000, 0.0002155200000000 ] - [ 0.0003614400000000, 0.0000344900000000, -0.0002327300000000 ] - [ 0.0054161300000000, 0.0004481500000000, -0.0030596200000000 ] - [ -0.0003492300000000, -0.0000733000000000, -0.0002153500000000 ] - [ 0.0002865200000000, 0.0000512200000000, 0.0002217600000000 ] - [ 0.0002269200000000, -0.0000595400000000, -0.0002764200000000 ] - [ -0.0002722300000000, 0.0000438500000000, -0.0000019300000000 ] - [ 0.0018537500000000, 0.0008202800000000, -0.0017258700000000 ] - [ -0.0002722300000000, 0.0000438500000000, 0.0000019300000000 ] - [ 0.0018537500000000, 0.0008202800000000, 0.0017258700000000 ] - [ 0.0002865200000000, 0.0000512200000000, -0.0002217600000000 ] - [ 0.0002269200000000, -0.0000595400000000, 0.0002764200000000 ] - [ 0.0003614400000000, 0.0000344900000000, 0.0002327300000000 ] - [ 0.0002461900000000, -0.0001549100000000, -0.0002155200000000 ] - [ -0.0003492300000000, -0.0000733000000000, 0.0002153500000000 ] - [ 0.0002787200000000, -0.0000217500000000, 0.0000000000000000 ] - [ -0.0003539900000000, 0.0001939300000000, 0.0000000000000000 ] - [ 0.0005651500000000, 0.0002167200000000, 0.0000000000000000 ] - [ 0.0003052300000000, -0.0000598800000000, 0.0000000000000000 ] - [ 0.0004605400000000, 0.0005097000000000, 0.0000000000000000 ] - [ 0.0384243200000000, -0.0266904900000000, 0.0000000000000000 ] - [ 0.0003216600000000, -0.0002546600000000, 0.0000000000000000 ] - [ -0.0002608900000000, 0.0000339400000000, 0.0000000000000000 ] - [ -0.0003215800000000, 0.0003173900000000, 0.0000000000000000 ] - [ -0.0032695900000000, -0.0012633000000000, 0.0000000000000000 ] - [ -0.0003265800000000, 0.0000923200000000, 0.0000000000000000 ] - [ 0.0001549800000000, 0.0001867400000000, 0.0000000000000000 ] - [ 0.0001375200000000, -0.0001638500000000, 0.0000000000000000 ] - [ 0.0004671900000000, -0.0002525200000000, 0.0000000000000000 ] - [ -0.0009807900000000, -0.0021946900000000, 0.0000000000000000 ] - [ 0.0001858900000000, 0.0000213900000000, 0.0000000000000000 ] - [ 0.0001499400000000, -0.0000648600000000, 0.0000000000000000 ] - [ 0.0001741600000000, -0.0000437100000000, 0.0001967100000000 ] - [ -0.0001020500000000, -0.0001238200000000, -0.0000702000000000 ] - [ -0.0001586200000000, 0.0001133100000000, 0.0001818800000000 ] - [ 0.0010833400000000, 0.0022933600000000, 0.0026551100000000 ] - [ -0.0001586200000000, 0.0001133100000000, -0.0001818800000000 ] - [ 0.0010833400000000, 0.0022933600000000, -0.0026551100000000 ] - [ 0.0001741600000000, -0.0000437100000000, -0.0001967100000000 ] - [ -0.0001020500000000, -0.0001238200000000, 0.0000702000000000 ] - [ -0.0000393000000000, -0.0002131500000000, -0.0000318800000000 ] - [ -0.0000341500000000, 0.0003224200000000, 0.0000539800000000 ] - [ 0.0023044400000000, 0.0027269900000000, -0.0025633000000000 ] - [ 0.0000119700000000, -0.0002548600000000, 0.0000822100000000 ] - [ 0.0023044400000000, 0.0027269900000000, 0.0025633000000000 ] - [ 0.0000119700000000, -0.0002548600000000, -0.0000822100000000 ] - [ -0.0000393000000000, -0.0002131500000000, 0.0000318800000000 ] - [ -0.0000341500000000, 0.0003224200000000, -0.0000539800000000 ]- atom: 21 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0014661800000000, -0.0007958700000000, 0.0000000000000000 ] - [ 0.0006563000000000, 0.0007885600000000, 0.0000000000000000 ] - [ -0.0018797100000000, 0.0001868300000000, 0.0000000000000000 ] - [ -0.0006557800000000, -0.0007795400000000, 0.0000000000000000 ] - [ -0.0007887400000000, 0.0002156600000000, 0.0000000000000000 ] - [ -0.0000095000000000, -0.0006145600000000, 0.0000000000000000 ] - [ 0.0001729200000000, -0.0002150000000000, 0.0000000000000000 ] - [ 0.0001748200000000, 0.0003169600000000, 0.0000000000000000 ] - [ 0.0005405300000000, 0.0004382600000000, -0.0000948200000000 ] - [ -0.0000013900000000, 0.0000469500000000, 0.0001318900000000 ] - [ 0.0005405300000000, 0.0004382600000000, 0.0000948200000000 ] - [ -0.0000013900000000, 0.0000469500000000, -0.0001318900000000 ] - [ 0.0002855100000000, 0.0006380800000000, 0.0000000000000000 ] - [ -0.0003200500000000, -0.0012198900000000, 0.0000000000000000 ] - [ -0.0002603700000000, -0.0005250400000000, 0.0000000000000000 ] - [ -0.0012869200000000, -0.0003506800000000, 0.0000000000000000 ] - [ 0.0003327400000000, 0.0012572900000000, 0.0000000000000000 ] - [ -0.0014519100000000, -0.0000026400000000, 0.0000000000000000 ] - [ -0.0061722000000000, -0.0002706300000000, -0.0035841300000000 ] - [ 0.0003238000000000, 0.0001207200000000, 0.0000000000000000 ] - [ 0.0635953100000000, -0.0192879900000000, 0.0000000000000000 ] - [ -0.0000375400000000, 0.0001377800000000, 0.0000000000000000 ] - [ -0.0002530200000000, 0.0001758400000000, 0.0000000000000000 ] - [ 0.0000250600000000, -0.0001389900000000, 0.0000000000000000 ] - [ 0.0002516700000000, 0.0001268700000000, 0.0000000000000000 ] - [ 0.0012043200000000, 0.0003359000000000, 0.0000000000000000 ] - [ -0.0002971600000000, -0.0000782700000000, 0.0000000000000000 ] - [ -0.0004682400000000, -0.0000424700000000, 0.0000000000000000 ] - [ 0.0004549800000000, 0.0000114300000000, 0.0002690500000000 ] - [ 0.0003403900000000, 0.0001093200000000, -0.0002515800000000 ] - [ -0.0061722000000000, -0.0002706300000000, 0.0035841300000000 ] - [ -0.0003517400000000, -0.0000703700000000, -0.0002691100000000 ] - [ 0.0002949300000000, 0.0000879700000000, 0.0001991300000000 ] - [ 0.0003551000000000, -0.0000795800000000, -0.0001443300000000 ] - [ -0.0003068100000000, -0.0001784900000000, 0.0004215200000000 ] - [ -0.0024316300000000, -0.0006799200000000, 0.0012867800000000 ] - [ -0.0003068100000000, -0.0001784900000000, -0.0004215200000000 ] - [ -0.0024316300000000, -0.0006799200000000, -0.0012867800000000 ] - [ 0.0002949300000000, 0.0000879700000000, -0.0001991300000000 ] - [ 0.0003551000000000, -0.0000795800000000, 0.0001443300000000 ] - [ 0.0003403900000000, 0.0001093200000000, 0.0002515800000000 ] - [ 0.0004549800000000, 0.0000114300000000, -0.0002690500000000 ] - [ -0.0003517400000000, -0.0000703700000000, 0.0002691100000000 ] - [ 0.0002513600000000, -0.0000425800000000, 0.0000000000000000 ] - [ -0.0002686800000000, 0.0000158400000000, 0.0000000000000000 ] - [ -0.0012012000000000, -0.0004263200000000, 0.0000000000000000 ] - [ 0.0003177800000000, -0.0001501100000000, 0.0000000000000000 ] - [ 0.0001632800000000, -0.0003000600000000, 0.0000000000000000 ] - [ -0.0392053400000000, 0.0284900700000000, 0.0000000000000000 ] - [ 0.0003293600000000, -0.0003045500000000, 0.0000000000000000 ] - [ -0.0003877100000000, -0.0005930000000000, 0.0000000000000000 ] - [ -0.0003283300000000, 0.0002418600000000, 0.0000000000000000 ] - [ 0.0029648900000000, 0.0008289100000000, 0.0000000000000000 ] - [ 0.0000356500000000, 0.0003517800000000, 0.0000000000000000 ] - [ 0.0001351500000000, 0.0002573900000000, 0.0000000000000000 ] - [ 0.0001537700000000, -0.0002797000000000, 0.0000000000000000 ] - [ -0.0007533700000000, 0.0002930200000000, 0.0000000000000000 ] - [ 0.0006909700000000, 0.0021470800000000, 0.0000000000000000 ] - [ 0.0001029600000000, -0.0000681800000000, 0.0000000000000000 ] - [ 0.0001392300000000, 0.0001115500000000, 0.0000000000000000 ] - [ 0.0001789900000000, -0.0001119300000000, 0.0002357300000000 ] - [ 0.0004552900000000, 0.0002791400000000, -0.0003625000000000 ] - [ -0.0001933500000000, 0.0000417600000000, 0.0002507200000000 ] - [ -0.0014267400000000, -0.0024059700000000, -0.0030260600000000 ] - [ -0.0001933500000000, 0.0000417600000000, -0.0002507200000000 ] - [ -0.0014267400000000, -0.0024059700000000, 0.0030260600000000 ] - [ 0.0001789900000000, -0.0001119300000000, -0.0002357300000000 ] - [ 0.0004552900000000, 0.0002791400000000, 0.0003625000000000 ] - [ -0.0000170700000000, -0.0003097700000000, -0.0000621700000000 ] - [ -0.0000222500000000, 0.0002009200000000, 0.0000403100000000 ] - [ -0.0022362600000000, -0.0022532900000000, 0.0025104900000000 ] - [ 0.0000457000000000, -0.0002670900000000, 0.0000146500000000 ] - [ -0.0022362600000000, -0.0022532900000000, -0.0025104900000000 ] - [ 0.0000457000000000, -0.0002670900000000, -0.0000146500000000 ] - [ -0.0000170700000000, -0.0003097700000000, 0.0000621700000000 ] - [ -0.0000222500000000, 0.0002009200000000, -0.0000403100000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008636900000000, 0.0007391400000000, 0.0000000000000000 ] - [ 0.0006486900000000, 0.0009623300000000, 0.0000000000000000 ] - [ -0.0002141300000000, 0.0006595100000000, 0.0000000000000000 ] - [ -0.0006935300000000, -0.0006078300000000, 0.0000000000000000 ] - [ 0.0008234400000000, -0.0001147900000000, 0.0000000000000000 ] - [ -0.0008927200000000, 0.0002109900000000, 0.0000000000000000 ] - [ 0.0000721800000000, 0.0001374200000000, 0.0000000000000000 ] - [ 0.0002094800000000, 0.0006406600000000, 0.0000000000000000 ] - [ -0.0001600500000000, -0.0001894900000000, -0.0001260800000000 ] - [ -0.0000502000000000, 0.0003907900000000, 0.0001356400000000 ] - [ -0.0001600500000000, -0.0001894900000000, 0.0001260800000000 ] - [ -0.0000502000000000, 0.0003907900000000, -0.0001356400000000 ] - [ 0.0001935800000000, 0.0007017400000000, 0.0000000000000000 ] - [ 0.0010093700000000, 0.0000721400000000, 0.0000000000000000 ] - [ -0.0003022300000000, -0.0003716600000000, 0.0000000000000000 ] - [ 0.0006156400000000, 0.0006325200000000, 0.0000000000000000 ] - [ -0.0008567800000000, 0.0025091200000000, 0.0000000000000000 ] - [ 0.0003918000000000, -0.0003838600000000, 0.0000000000000000 ] - [ -0.0005232300000000, -0.0040923400000000, -0.0017486100000000 ] - [ 0.0003933200000000, 0.0004938400000000, 0.0000000000000000 ] - [ 0.0188054500000000, -0.0499559300000000, 0.0000000000000000 ] - [ -0.0000534100000000, 0.0003373300000000, 0.0000000000000000 ] - [ 0.0000146400000000, 0.0006210400000000, 0.0000000000000000 ] - [ 0.0000522100000000, 0.0000695000000000, 0.0000000000000000 ] - [ 0.0003266600000000, 0.0003850500000000, 0.0000000000000000 ] - [ -0.0000330300000000, -0.0014715000000000, 0.0000000000000000 ] - [ -0.0002316300000000, 0.0001407400000000, 0.0000000000000000 ] - [ -0.0001639900000000, 0.0003618900000000, 0.0000000000000000 ] - [ 0.0003845100000000, 0.0001204700000000, 0.0003358800000000 ] - [ 0.0002364400000000, 0.0003577700000000, -0.0003361300000000 ] - [ -0.0005232300000000, -0.0040923400000000, 0.0017486100000000 ] - [ -0.0004933000000000, 0.0002344900000000, -0.0001707800000000 ] - [ 0.0002898000000000, 0.0002841700000000, 0.0001492500000000 ] - [ 0.0002568400000000, 0.0001655000000000, -0.0001559000000000 ] - [ -0.0001570200000000, 0.0004866500000000, 0.0002681900000000 ] - [ -0.0015353100000000, -0.0012149500000000, 0.0011564300000000 ] - [ -0.0001570200000000, 0.0004866500000000, -0.0002681900000000 ] - [ -0.0015353100000000, -0.0012149500000000, -0.0011564300000000 ] - [ 0.0002898000000000, 0.0002841700000000, -0.0001492500000000 ] - [ 0.0002568400000000, 0.0001655000000000, 0.0001559000000000 ] - [ 0.0002364400000000, 0.0003577700000000, 0.0003361300000000 ] - [ 0.0003845100000000, 0.0001204700000000, -0.0003358800000000 ] - [ -0.0004933000000000, 0.0002344900000000, 0.0001707800000000 ] - [ 0.0001757400000000, 0.0003704000000000, 0.0000000000000000 ] - [ -0.0001988400000000, -0.0004580600000000, 0.0000000000000000 ] - [ -0.0003291800000000, 0.0013775400000000, 0.0000000000000000 ] - [ 0.0003916000000000, -0.0006220700000000, 0.0000000000000000 ] - [ 0.0004453200000000, -0.0002856100000000, 0.0000000000000000 ] - [ -0.0287153400000000, 0.0324533100000000, 0.0000000000000000 ] - [ 0.0003152700000000, -0.0005759900000000, 0.0000000000000000 ] - [ -0.0002791200000000, -0.0008966000000000, 0.0000000000000000 ] - [ -0.0003859300000000, 0.0000343500000000, 0.0000000000000000 ] - [ 0.0011742300000000, 0.0016749500000000, 0.0000000000000000 ] - [ 0.0000130800000000, -0.0004076300000000, 0.0000000000000000 ] - [ 0.0002747600000000, -0.0003330400000000, 0.0000000000000000 ] - [ 0.0002778600000000, -0.0007069900000000, 0.0000000000000000 ] - [ -0.0007976000000000, -0.0002367600000000, 0.0000000000000000 ] - [ 0.0000850000000000, 0.0026291900000000, 0.0000000000000000 ] - [ -0.0000333100000000, -0.0003321400000000, 0.0000000000000000 ] - [ 0.0002773200000000, -0.0003401800000000, 0.0000000000000000 ] - [ 0.0001971100000000, -0.0003477700000000, 0.0002609300000000 ] - [ -0.0000408800000000, -0.0005353000000000, -0.0005630100000000 ] - [ -0.0001678700000000, -0.0002291500000000, 0.0002289100000000 ] - [ 0.0043940600000000, 0.0079663000000000, 0.0072795800000000 ] - [ -0.0001678700000000, -0.0002291500000000, -0.0002289100000000 ] - [ 0.0043940600000000, 0.0079663000000000, -0.0072795800000000 ] - [ 0.0001971100000000, -0.0003477700000000, -0.0002609300000000 ] - [ -0.0000408800000000, -0.0005353000000000, 0.0005630100000000 ] - [ 0.0000183000000000, -0.0007652100000000, -0.0000792700000000 ] - [ -0.0000832700000000, -0.0002038700000000, 0.0000491600000000 ] - [ 0.0013697400000000, 0.0028790800000000, -0.0017578400000000 ] - [ 0.0000932500000000, -0.0003641800000000, 0.0000624800000000 ] - [ 0.0013697400000000, 0.0028790800000000, 0.0017578400000000 ] - [ 0.0000932500000000, -0.0003641800000000, -0.0000624800000000 ] - [ 0.0000183000000000, -0.0007652100000000, 0.0000792700000000 ] - [ -0.0000832700000000, -0.0002038700000000, -0.0000491600000000 ]- atom: 21 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0021883000000000, -0.0023339400000000, 0.0000000000000000 ] - [ 0.0006789100000000, 0.0006287800000000, 0.0000000000000000 ] - [ -0.0011140800000000, 0.0009361400000000, 0.0000000000000000 ] - [ -0.0006339100000000, -0.0009842700000000, 0.0000000000000000 ] - [ -0.0011533100000000, 0.0006446200000000, 0.0000000000000000 ] - [ 0.0005722400000000, -0.0007445300000000, 0.0000000000000000 ] - [ 0.0002526000000000, -0.0006666200000000, 0.0000000000000000 ] - [ 0.0001157100000000, -0.0001123200000000, 0.0000000000000000 ] - [ 0.0001592800000000, 0.0001874400000000, -0.0001577300000000 ] - [ 0.0000500900000000, -0.0003909700000000, 0.0001421100000000 ] - [ 0.0001592800000000, 0.0001874400000000, 0.0001577300000000 ] - [ 0.0000500900000000, -0.0003909700000000, -0.0001421100000000 ] - [ 0.0002447900000000, 0.0004811700000000, 0.0000000000000000 ] - [ -0.0005613500000000, -0.0012510600000000, 0.0000000000000000 ] - [ -0.0001355500000000, -0.0008101600000000, 0.0000000000000000 ] - [ -0.0010570500000000, 0.0005369300000000, 0.0000000000000000 ] - [ 0.0003383500000000, -0.0025823100000000, 0.0000000000000000 ] - [ -0.0009275700000000, 0.0004457800000000, 0.0000000000000000 ] - [ -0.0001514800000000, 0.0042164100000000, 0.0012489000000000 ] - [ 0.0001363900000000, -0.0004296400000000, 0.0000000000000000 ] - [ -0.0181171100000000, 0.0493076400000000, 0.0000000000000000 ] - [ 0.0000024900000000, -0.0000072300000000, 0.0000000000000000 ] - [ 0.0000356400000000, -0.0002905300000000, 0.0000000000000000 ] - [ -0.0000009400000000, -0.0004007700000000, 0.0000000000000000 ] - [ 0.0002769800000000, -0.0001701500000000, 0.0000000000000000 ] - [ 0.0006430000000000, 0.0012584700000000, 0.0000000000000000 ] - [ -0.0003724600000000, -0.0003568300000000, 0.0000000000000000 ] - [ -0.0004396900000000, -0.0001469800000000, 0.0000000000000000 ] - [ 0.0003172100000000, -0.0002644000000000, 0.0001498100000000 ] - [ 0.0004650000000000, -0.0002141300000000, -0.0001481400000000 ] - [ -0.0001514800000000, 0.0042164100000000, -0.0012489000000000 ] - [ -0.0002077100000000, -0.0003792100000000, -0.0003134500000000 ] - [ 0.0002910800000000, -0.0001451300000000, 0.0002714600000000 ] - [ 0.0003240500000000, -0.0003052400000000, -0.0002652300000000 ] - [ -0.0004200700000000, -0.0006279300000000, 0.0001561300000000 ] - [ 0.0009538100000000, 0.0013660200000000, -0.0015758000000000 ] - [ -0.0004200700000000, -0.0006279300000000, -0.0001561300000000 ] - [ 0.0009538100000000, 0.0013660200000000, 0.0015758000000000 ] - [ 0.0002910800000000, -0.0001451300000000, -0.0002714600000000 ] - [ 0.0003240500000000, -0.0003052400000000, 0.0002652300000000 ] - [ 0.0004650000000000, -0.0002141300000000, 0.0001481400000000 ] - [ 0.0003172100000000, -0.0002644000000000, -0.0001498100000000 ] - [ -0.0002077100000000, -0.0003792100000000, 0.0003134500000000 ] - [ 0.0003543300000000, -0.0004360900000000, 0.0000000000000000 ] - [ -0.0004229600000000, 0.0006679000000000, 0.0000000000000000 ] - [ -0.0003016100000000, -0.0015867500000000, 0.0000000000000000 ] - [ 0.0002308500000000, 0.0004119700000000, 0.0000000000000000 ] - [ 0.0001756400000000, 0.0004977200000000, 0.0000000000000000 ] - [ 0.0285059500000000, -0.0314648400000000, 0.0000000000000000 ] - [ 0.0003352400000000, 0.0000168200000000, 0.0000000000000000 ] - [ -0.0003706400000000, 0.0003308700000000, 0.0000000000000000 ] - [ -0.0002645700000000, 0.0005247400000000, 0.0000000000000000 ] - [ -0.0014793600000000, -0.0021271900000000, 0.0000000000000000 ] - [ -0.0003028000000000, 0.0008558000000000, 0.0000000000000000 ] - [ 0.0000175600000000, 0.0007766900000000, 0.0000000000000000 ] - [ 0.0000130700000000, 0.0002636100000000, 0.0000000000000000 ] - [ 0.0004965800000000, 0.0002749300000000, 0.0000000000000000 ] - [ -0.0003549500000000, -0.0026874700000000, 0.0000000000000000 ] - [ 0.0003216500000000, 0.0002854200000000, 0.0000000000000000 ] - [ 0.0000107500000000, 0.0003876100000000, 0.0000000000000000 ] - [ 0.0001556100000000, 0.0001915500000000, 0.0001724200000000 ] - [ 0.0003950200000000, 0.0006916200000000, 0.0001300100000000 ] - [ -0.0001849600000000, 0.0003848900000000, 0.0002040100000000 ] - [ -0.0046493700000000, -0.0080314300000000, -0.0075268000000000 ] - [ -0.0001849600000000, 0.0003848900000000, -0.0002040100000000 ] - [ -0.0046493700000000, -0.0080314300000000, 0.0075268000000000 ] - [ 0.0001556100000000, 0.0001915500000000, -0.0001724200000000 ] - [ 0.0003950200000000, 0.0006916200000000, -0.0001300100000000 ] - [ -0.0000753200000000, 0.0002422000000000, -0.0000149800000000 ] - [ 0.0000264500000000, 0.0007271500000000, 0.0000449400000000 ] - [ -0.0013836900000000, -0.0024649300000000, 0.0017967200000000 ] - [ -0.0000335600000000, -0.0001558800000000, 0.0000360300000000 ] - [ -0.0013836900000000, -0.0024649300000000, -0.0017967200000000 ] - [ -0.0000335600000000, -0.0001558800000000, -0.0000360300000000 ] - [ -0.0000753200000000, 0.0002422000000000, 0.0000149800000000 ] - [ 0.0000264500000000, 0.0007271500000000, -0.0000449400000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0006715900000000, -0.0007983800000000, -0.0007563800000000 ] - [ 0.0006640000000000, 0.0007957100000000, 0.0000138100000000 ] - [ -0.0006628600000000, 0.0007959300000000, -0.0005107800000000 ] - [ -0.0006637400000000, -0.0007960600000000, 0.0000100400000000 ] - [ -0.0001612200000000, 0.0002656400000000, -0.0002220400000000 ] - [ -0.0001614200000000, -0.0002646600000000, 0.0004398800000000 ] - [ 0.0001627500000000, -0.0002650100000000, 0.0000058400000000 ] - [ 0.0001626900000000, 0.0002640200000000, 0.0000059500000000 ] - [ -0.0006076800000000, 0.0000322400000000, -0.0000662500000000 ] - [ -0.0000056300000000, -0.0000106200000000, 0.0001433100000000 ] - [ 0.0006036300000000, -0.0000308900000000, 0.0002086200000000 ] - [ 0.0000059000000000, 0.0000097800000000, -0.0001342900000000 ] - [ 0.0002186600000000, 0.0005897700000000, -0.0000090500000000 ] - [ 0.0002195500000000, -0.0005887600000000, 0.0016884300000000 ] - [ -0.0002186400000000, -0.0005910200000000, -0.0000049900000000 ] - [ -0.0002151600000000, 0.0005914500000000, 0.0012971100000000 ] - [ -0.0002661900000000, -0.0000369600000000, -0.0003439000000000 ] - [ -0.0002684400000000, 0.0000376000000000, 0.0009151100000000 ] - [ 0.0032732700000000, -0.0011753000000000, -0.0003561100000000 ] - [ 0.0002648300000000, 0.0000319500000000, 0.0000022800000000 ] - [ -0.0001871800000000, -0.0001737300000000, -0.0347010500000000 ] - [ -0.0000255700000000, 0.0001657600000000, 0.0000094900000000 ] - [ 0.0000266200000000, 0.0001649100000000, 0.0000380900000000 ] - [ 0.0000257900000000, -0.0001657200000000, -0.0000009200000000 ] - [ 0.0003023100000000, 0.0001080400000000, 0.0000064800000000 ] - [ 0.0002980000000000, -0.0001078400000000, 0.0025899800000000 ] - [ -0.0003020100000000, -0.0001082000000000, 0.0000029800000000 ] - [ -0.0003018200000000, 0.0001084900000000, 0.0000344700000000 ] - [ 0.0003716800000000, -0.0000728100000000, 0.0002217700000000 ] - [ 0.0003484200000000, 0.0000692600000000, -0.0002406800000000 ] - [ -0.0039836800000000, 0.0013182300000000, 0.0001137300000000 ] - [ -0.0003753500000000, -0.0000275900000000, -0.0002129800000000 ] - [ 0.0002930600000000, 0.0000668500000000, 0.0002103900000000 ] - [ 0.0002754400000000, -0.0000562300000000, -0.0002294800000000 ] - [ -0.0002452100000000, 0.0004248700000000, 0.0001136800000000 ] - [ -0.0011283100000000, 0.0004722700000000, 0.0005850300000000 ] - [ -0.0003360500000000, -0.0005671500000000, -0.0003061100000000 ] - [ 0.0005494300000000, -0.0003378500000000, 0.0009960400000000 ] - [ 0.0002879100000000, 0.0000718600000000, -0.0002107100000000 ] - [ 0.0003052500000000, -0.0000832300000000, 0.0001919700000000 ] - [ 0.0003532100000000, 0.0000739300000000, 0.0002434500000000 ] - [ 0.0003294800000000, -0.0000717700000000, -0.0002625900000000 ] - [ -0.0003250900000000, -0.0001170000000000, 0.0002716400000000 ] - [ 0.0002651500000000, -0.0000327200000000, -0.0000022400000000 ] - [ -0.0003117000000000, 0.0001056300000000, -0.0000501400000000 ] - [ -0.0003013300000000, -0.0001055000000000, -0.0010217600000000 ] - [ 0.0003112400000000, -0.0001047100000000, 0.0000014400000000 ] - [ 0.0003108000000000, 0.0001051700000000, -0.0002789600000000 ] - [ 0.0003991800000000, 0.0002167700000000, 0.0059906100000000 ] - [ 0.0003251400000000, -0.0002792800000000, 0.0000190900000000 ] - [ -0.0003253900000000, -0.0002783200000000, 0.0000255300000000 ] - [ -0.0003251100000000, 0.0002798000000000, -0.0000032600000000 ] - [ -0.0001535500000000, -0.0002240200000000, 0.0015993500000000 ] - [ -0.0001458000000000, 0.0002219300000000, -0.0002000400000000 ] - [ 0.0001451100000000, 0.0002223000000000, -0.0000092200000000 ] - [ 0.0001454300000000, -0.0002213400000000, -0.0000036800000000 ] - [ -0.0001422300000000, 0.0000235200000000, 0.0001750800000000 ] - [ -0.0001393500000000, -0.0000209900000000, -0.0008631400000000 ] - [ 0.0001444600000000, -0.0000231400000000, 0.0000010600000000 ] - [ 0.0001442800000000, 0.0000231200000000, 0.0000659100000000 ] - [ 0.0001766400000000, -0.0000791100000000, 0.0002166700000000 ] - [ 0.0001520300000000, -0.0000327300000000, -0.0001397200000000 ] - [ -0.0001671400000000, 0.0001215300000000, 0.0002064200000000 ] - [ 0.0039203100000000, 0.0060366800000000, 0.0073210100000000 ] - [ -0.0001850100000000, 0.0000344900000000, -0.0002258700000000 ] - [ -0.0041276000000000, -0.0059856000000000, 0.0075745500000000 ] - [ 0.0001761000000000, -0.0000764500000000, -0.0002159700000000 ] - [ 0.0001991500000000, 0.0001867400000000, 0.0002898300000000 ] - [ -0.0000271600000000, -0.0002618600000000, -0.0000496300000000 ] - [ -0.0000292700000000, 0.0002670500000000, 0.0000463800000000 ] - [ -0.0018235100000000, -0.0022126700000000, 0.0038499700000000 ] - [ 0.0000484900000000, -0.0001963900000000, 0.0000667300000000 ] - [ 0.0018187400000000, 0.0026144200000000, 0.0038505800000000 ] - [ 0.0000073000000000, -0.0003327200000000, -0.0000240800000000 ] - [ -0.0000300800000000, -0.0002603900000000, 0.0000440900000000 ] - [ -0.0000275200000000, 0.0002569800000000, -0.0000478500000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006674000000000, -0.0007136500000000, 0.0000000000000000 ] - [ 0.0013913300000000, -0.0002922000000000, 0.0000000000000000 ] - [ -0.0006549800000000, 0.0008633300000000, 0.0000000000000000 ] - [ 0.0005627000000000, -0.0017103400000000, 0.0000000000000000 ] - [ -0.0003221000000000, 0.0012664800000000, 0.0000000000000000 ] - [ 0.0001725100000000, -0.0004117200000000, 0.0000000000000000 ] - [ 0.0001299200000000, -0.0001300200000000, 0.0000000000000000 ] - [ 0.0001335600000000, 0.0003015000000000, 0.0000000000000000 ] - [ 0.0000195300000000, 0.0001167600000000, -0.0001326400000000 ] - [ -0.0013351700000000, 0.0002882900000000, -0.0014509500000000 ] - [ 0.0000195300000000, 0.0001167600000000, 0.0001326400000000 ] - [ -0.0013351700000000, 0.0002882900000000, 0.0014509500000000 ] - [ 0.0020197800000000, 0.0031568300000000, 0.0000000000000000 ] - [ 0.0002240200000000, -0.0005489100000000, 0.0000000000000000 ] - [ 0.0008742300000000, -0.0024456900000000, 0.0000000000000000 ] - [ -0.0001997400000000, 0.0006365700000000, 0.0000000000000000 ] - [ 0.0002507500000000, -0.0006719000000000, 0.0000000000000000 ] - [ -0.0004139100000000, 0.0000349900000000, 0.0000000000000000 ] - [ -0.0003039900000000, 0.0002271200000000, -0.0003264700000000 ] - [ 0.0002492400000000, 0.0000790200000000, 0.0000000000000000 ] - [ 0.0000247100000000, -0.0001419600000000, 0.0000000000000000 ] - [ -0.0009277700000000, 0.0005113200000000, 0.0000000000000000 ] - [ 0.0000208800000000, 0.0002346600000000, 0.0000000000000000 ] - [ 0.0001912000000000, -0.0003040200000000, 0.0000000000000000 ] - [ -0.0608078200000000, -0.0200874400000000, 0.0000000000000000 ] - [ 0.0002918400000000, -0.0000686400000000, 0.0000000000000000 ] - [ 0.0005664400000000, -0.0001068400000000, 0.0000000000000000 ] - [ -0.0003157700000000, 0.0001786200000000, 0.0000000000000000 ] - [ 0.0003839300000000, 0.0000164900000000, 0.0002059700000000 ] - [ 0.0001445800000000, 0.0001874500000000, -0.0003243500000000 ] - [ -0.0003039900000000, 0.0002271200000000, 0.0003264700000000 ] - [ 0.0012901700000000, -0.0006211500000000, -0.0026978500000000 ] - [ 0.0003877800000000, 0.0001670400000000, 0.0001967400000000 ] - [ 0.0002857300000000, -0.0000142200000000, -0.0002197300000000 ] - [ 0.0019458000000000, 0.0006541500000000, -0.0018022500000000 ] - [ -0.0002991900000000, 0.0002278600000000, -0.0002546600000000 ] - [ 0.0019458000000000, 0.0006541500000000, 0.0018022500000000 ] - [ -0.0002991900000000, 0.0002278600000000, 0.0002546600000000 ] - [ 0.0003877800000000, 0.0001670400000000, -0.0001967400000000 ] - [ 0.0002857300000000, -0.0000142200000000, 0.0002197300000000 ] - [ 0.0001445800000000, 0.0001874500000000, 0.0003243500000000 ] - [ 0.0003839300000000, 0.0000164900000000, -0.0002059700000000 ] - [ 0.0012901700000000, -0.0006211500000000, 0.0026978500000000 ] - [ 0.0002389300000000, 0.0000816100000000, 0.0000000000000000 ] - [ 0.0442355700000000, 0.0247709600000000, 0.0000000000000000 ] - [ -0.0003650800000000, -0.0002539200000000, 0.0000000000000000 ] - [ 0.0005109900000000, 0.0008988300000000, 0.0000000000000000 ] - [ 0.0002756900000000, -0.0000554200000000, 0.0000000000000000 ] - [ 0.0002785600000000, 0.0001319000000000, 0.0000000000000000 ] - [ 0.0016193300000000, -0.0001840900000000, 0.0000000000000000 ] - [ -0.0003106900000000, -0.0003482200000000, 0.0000000000000000 ] - [ -0.0003214700000000, 0.0001530300000000, 0.0000000000000000 ] - [ 0.0002637100000000, -0.0005416100000000, 0.0000000000000000 ] - [ -0.0015954900000000, 0.0023466100000000, 0.0000000000000000 ] - [ 0.0001225900000000, 0.0000730000000000, 0.0000000000000000 ] - [ 0.0003633900000000, -0.0001508100000000, 0.0000000000000000 ] - [ -0.0012379100000000, -0.0003096500000000, 0.0000000000000000 ] - [ -0.0002040100000000, -0.0000716900000000, 0.0000000000000000 ] - [ 0.0000652700000000, -0.0000398300000000, 0.0000000000000000 ] - [ 0.0001887500000000, -0.0000664700000000, 0.0000000000000000 ] - [ -0.0001154100000000, 0.0003163000000000, 0.0009557400000000 ] - [ 0.0001709500000000, -0.0000026000000000, -0.0002084500000000 ] - [ 0.0017137100000000, -0.0016922300000000, 0.0029735900000000 ] - [ -0.0001621500000000, -0.0001568400000000, -0.0002247700000000 ] - [ 0.0017137100000000, -0.0016922300000000, -0.0029735900000000 ] - [ -0.0001621500000000, -0.0001568400000000, 0.0002247700000000 ] - [ -0.0001154100000000, 0.0003163000000000, -0.0009557400000000 ] - [ 0.0001709500000000, -0.0000026000000000, 0.0002084500000000 ] - [ -0.0000252700000000, -0.0004124700000000, -0.0000378000000000 ] - [ -0.0000060100000000, 0.0000775200000000, 0.0001750600000000 ] - [ -0.0000794900000000, 0.0001886700000000, 0.0000554100000000 ] - [ 0.0018562100000000, -0.0026002600000000, -0.0019476400000000 ] - [ -0.0000794900000000, 0.0001886700000000, -0.0000554100000000 ] - [ 0.0018562100000000, -0.0026002600000000, 0.0019476400000000 ] - [ -0.0000252700000000, -0.0004124700000000, 0.0000378000000000 ] - [ -0.0000060100000000, 0.0000775200000000, -0.0001750600000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006598000000000, -0.0008796800000000, 0.0000000000000000 ] - [ -0.0000660000000000, 0.0018901500000000, 0.0000000000000000 ] - [ -0.0006732200000000, 0.0007263900000000, 0.0000000000000000 ] - [ -0.0018890000000000, 0.0001121000000000, 0.0000000000000000 ] - [ -0.0000139800000000, -0.0007448200000000, 0.0000000000000000 ] - [ -0.0004798300000000, -0.0001128600000000, 0.0000000000000000 ] - [ 0.0001956400000000, -0.0004027700000000, 0.0000000000000000 ] - [ 0.0001916200000000, 0.0002234400000000, 0.0000000000000000 ] - [ -0.0000203900000000, -0.0001205300000000, -0.0001451200000000 ] - [ 0.0013430300000000, -0.0002957600000000, 0.0017486800000000 ] - [ -0.0000203900000000, -0.0001205300000000, 0.0001451200000000 ] - [ 0.0013430300000000, -0.0002957600000000, -0.0017486800000000 ] - [ -0.0015101000000000, -0.0019414800000000, 0.0000000000000000 ] - [ 0.0002124000000000, -0.0006337300000000, 0.0000000000000000 ] - [ -0.0013536300000000, 0.0012441900000000, 0.0000000000000000 ] - [ -0.0002385800000000, 0.0005428300000000, 0.0000000000000000 ] - [ -0.0007744600000000, 0.0006099000000000, 0.0000000000000000 ] - [ -0.0001211900000000, 0.0000233500000000, 0.0000000000000000 ] - [ -0.0003988000000000, -0.0000862700000000, -0.0001567900000000 ] - [ 0.0002795200000000, -0.0000187600000000, 0.0000000000000000 ] - [ -0.0000757500000000, -0.0001917300000000, 0.0000000000000000 ] - [ 0.0008754600000000, -0.0001650600000000, 0.0000000000000000 ] - [ 0.0000305100000000, 0.0000938000000000, 0.0000000000000000 ] - [ -0.0001416300000000, -0.0000285500000000, 0.0000000000000000 ] - [ 0.0627396200000000, 0.0217092900000000, 0.0000000000000000 ] - [ 0.0003125600000000, -0.0001494000000000, 0.0000000000000000 ] - [ -0.0011821300000000, -0.0001128600000000, 0.0000000000000000 ] - [ -0.0002879200000000, 0.0000346000000000, 0.0000000000000000 ] - [ 0.0003158800000000, -0.0001632100000000, 0.0002792700000000 ] - [ 0.0005579500000000, -0.0000453800000000, -0.0001625400000000 ] - [ -0.0003988000000000, -0.0000862700000000, 0.0001567900000000 ] - [ -0.0020155500000000, 0.0004912300000000, 0.0022460900000000 ] - [ 0.0001933200000000, -0.0000299600000000, 0.0002241000000000 ] - [ 0.0002948100000000, -0.0001271400000000, -0.0002007400000000 ] - [ -0.0025070900000000, -0.0007896000000000, 0.0022079100000000 ] - [ -0.0002800000000000, -0.0000964700000000, -0.0001660000000000 ] - [ -0.0025070900000000, -0.0007896000000000, -0.0022079100000000 ] - [ -0.0002800000000000, -0.0000964700000000, 0.0001660000000000 ] - [ 0.0001933200000000, -0.0000299600000000, -0.0002241000000000 ] - [ 0.0002948100000000, -0.0001271400000000, 0.0002007400000000 ] - [ 0.0005579500000000, -0.0000453800000000, 0.0001625400000000 ] - [ 0.0003158800000000, -0.0001632100000000, -0.0002792700000000 ] - [ -0.0020155500000000, 0.0004912300000000, -0.0022460900000000 ] - [ 0.0002915600000000, -0.0001505000000000, 0.0000000000000000 ] - [ -0.0463367700000000, -0.0258416800000000, 0.0000000000000000 ] - [ -0.0002564000000000, 0.0000488400000000, 0.0000000000000000 ] - [ 0.0001293000000000, -0.0011108900000000, 0.0000000000000000 ] - [ 0.0003471800000000, 0.0002706800000000, 0.0000000000000000 ] - [ 0.0003710100000000, 0.0004300200000000, 0.0000000000000000 ] - [ -0.0009821500000000, -0.0003911100000000, 0.0000000000000000 ] - [ -0.0003408400000000, -0.0002085800000000, 0.0000000000000000 ] - [ -0.0003301800000000, 0.0004102400000000, 0.0000000000000000 ] - [ -0.0005562700000000, 0.0001051000000000, 0.0000000000000000 ] - [ 0.0013129200000000, -0.0019157400000000, 0.0000000000000000 ] - [ 0.0001692100000000, 0.0003753900000000, 0.0000000000000000 ] - [ -0.0000733900000000, -0.0002888700000000, 0.0000000000000000 ] - [ 0.0009530200000000, 0.0003440800000000, 0.0000000000000000 ] - [ -0.0000849900000000, 0.0000306200000000, 0.0000000000000000 ] - [ 0.0002219200000000, -0.0000030800000000, 0.0000000000000000 ] - [ 0.0000979300000000, 0.0001165900000000, 0.0000000000000000 ] - [ 0.0004657400000000, -0.0004720800000000, -0.0005283800000000 ] - [ 0.0001816500000000, 0.0001609700000000, -0.0002247500000000 ] - [ -0.0020131500000000, 0.0017612200000000, -0.0024464100000000 ] - [ -0.0001907900000000, 0.0000044400000000, -0.0002077300000000 ] - [ -0.0020131500000000, 0.0017612200000000, 0.0024464100000000 ] - [ -0.0001907900000000, 0.0000044400000000, 0.0002077300000000 ] - [ 0.0004657400000000, -0.0004720800000000, 0.0005283800000000 ] - [ 0.0001816500000000, 0.0001609700000000, 0.0002247500000000 ] - [ -0.0000326700000000, -0.0001060400000000, -0.0000566600000000 ] - [ -0.0000508100000000, 0.0004503500000000, -0.0000816600000000 ] - [ 0.0001377500000000, 0.0003371900000000, -0.0001484500000000 ] - [ -0.0017922700000000, 0.0021023100000000, 0.0020648400000000 ] - [ 0.0001377500000000, 0.0003371900000000, 0.0001484500000000 ] - [ -0.0017922700000000, 0.0021023100000000, -0.0020648400000000 ] - [ -0.0000326700000000, -0.0001060400000000, 0.0000566600000000 ] - [ -0.0000508100000000, 0.0004503500000000, 0.0000816600000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006705000000000, -0.0006010600000000, 0.0000000000000000 ] - [ 0.0000444400000000, 0.0012927000000000, 0.0000000000000000 ] - [ -0.0006222100000000, 0.0010037600000000, 0.0000000000000000 ] - [ -0.0013051600000000, -0.0011367300000000, 0.0000000000000000 ] - [ 0.0000501200000000, 0.0017896000000000, 0.0000000000000000 ] - [ -0.0009387200000000, -0.0006893000000000, 0.0000000000000000 ] - [ 0.0000752100000000, 0.0001853600000000, 0.0000000000000000 ] - [ 0.0002064700000000, 0.0006602200000000, 0.0000000000000000 ] - [ 0.0000565400000000, 0.0004022600000000, -0.0001332800000000 ] - [ 0.0023916000000000, 0.0023575000000000, -0.0008749900000000 ] - [ 0.0000565400000000, 0.0004022600000000, 0.0001332800000000 ] - [ 0.0023916000000000, 0.0023575000000000, 0.0008749900000000 ] - [ 0.0032057800000000, 0.0032470800000000, 0.0000000000000000 ] - [ 0.0003013300000000, -0.0004140200000000, 0.0000000000000000 ] - [ -0.0016330500000000, -0.0016245000000000, 0.0000000000000000 ] - [ -0.0001634600000000, 0.0007480300000000, 0.0000000000000000 ] - [ -0.0020163000000000, -0.0001589200000000, 0.0000000000000000 ] - [ 0.0004518800000000, 0.0004689800000000, 0.0000000000000000 ] - [ -0.0002017500000000, 0.0004308000000000, -0.0003717100000000 ] - [ 0.0003613900000000, 0.0004439200000000, 0.0000000000000000 ] - [ -0.0000442800000000, 0.0001123300000000, 0.0000000000000000 ] - [ 0.0004242800000000, -0.0012022100000000, 0.0000000000000000 ] - [ -0.0000039800000000, 0.0004144700000000, 0.0000000000000000 ] - [ -0.0001255800000000, 0.0000892700000000, 0.0000000000000000 ] - [ -0.0202135900000000, -0.0491626400000000, 0.0000000000000000 ] - [ 0.0002616900000000, 0.0001019800000000, 0.0000000000000000 ] - [ -0.0002998500000000, 0.0004869200000000, 0.0000000000000000 ] - [ -0.0003742100000000, 0.0003657100000000, 0.0000000000000000 ] - [ 0.0004679000000000, 0.0002385900000000, 0.0001414600000000 ] - [ 0.0001273900000000, 0.0004589900000000, -0.0005555000000000 ] - [ -0.0002017500000000, 0.0004308000000000, 0.0003717100000000 ] - [ -0.0000669600000000, -0.0012379700000000, 0.0000488400000000 ] - [ 0.0003007100000000, 0.0003706800000000, 0.0000990000000000 ] - [ 0.0003022200000000, 0.0001718900000000, -0.0002483800000000 ] - [ 0.0010917800000000, -0.0004487200000000, -0.0009139300000000 ] - [ -0.0003931100000000, 0.0007904200000000, -0.0002617300000000 ] - [ 0.0010917800000000, -0.0004487200000000, 0.0009139300000000 ] - [ -0.0003931100000000, 0.0007904200000000, 0.0002617300000000 ] - [ 0.0003007100000000, 0.0003706800000000, -0.0000990000000000 ] - [ 0.0003022200000000, 0.0001718900000000, 0.0002483800000000 ] - [ 0.0001273900000000, 0.0004589900000000, 0.0005555000000000 ] - [ 0.0004679000000000, 0.0002385900000000, -0.0001414600000000 ] - [ -0.0000669600000000, -0.0012379700000000, -0.0000488400000000 ] - [ 0.0001817000000000, 0.0003743400000000, 0.0000000000000000 ] - [ 0.0214731500000000, 0.0249417000000000, 0.0000000000000000 ] - [ -0.0004561100000000, -0.0006245400000000, 0.0000000000000000 ] - [ 0.0010226100000000, -0.0011712300000000, 0.0000000000000000 ] - [ 0.0002220600000000, -0.0004480200000000, 0.0000000000000000 ] - [ 0.0003731400000000, -0.0000097800000000, 0.0000000000000000 ] - [ 0.0002739800000000, 0.0007404500000000, 0.0000000000000000 ] - [ -0.0002572700000000, -0.0005416600000000, 0.0000000000000000 ] - [ -0.0001532200000000, -0.0001219900000000, 0.0000000000000000 ] - [ 0.0001858800000000, -0.0009431900000000, 0.0000000000000000 ] - [ -0.0006286100000000, 0.0020500500000000, 0.0000000000000000 ] - [ 0.0000413500000000, -0.0003209900000000, 0.0000000000000000 ] - [ 0.0004474500000000, -0.0007645000000000, 0.0000000000000000 ] - [ 0.0009944000000000, 0.0014936400000000, 0.0000000000000000 ] - [ -0.0002512300000000, -0.0006458300000000, 0.0000000000000000 ] - [ -0.0001570000000000, -0.0003904000000000, 0.0000000000000000 ] - [ 0.0002976300000000, -0.0003006200000000, 0.0000000000000000 ] - [ 0.0000193300000000, -0.0003845300000000, 0.0004318600000000 ] - [ 0.0001558600000000, -0.0002072100000000, -0.0001804800000000 ] - [ -0.0037745400000000, 0.0061594600000000, -0.0046769500000000 ] - [ -0.0001894200000000, -0.0003965700000000, -0.0002460500000000 ] - [ -0.0037745400000000, 0.0061594600000000, 0.0046769500000000 ] - [ -0.0001894200000000, -0.0003965700000000, 0.0002460500000000 ] - [ 0.0000193300000000, -0.0003845300000000, -0.0004318600000000 ] - [ 0.0001558600000000, -0.0002072100000000, 0.0001804800000000 ] - [ 0.0000216800000000, -0.0007669200000000, -0.0000348600000000 ] - [ -0.0000332800000000, -0.0003170600000000, 0.0001139600000000 ] - [ 0.0000570500000000, 0.0001087600000000, -0.0000930500000000 ] - [ -0.0012943200000000, 0.0024004200000000, 0.0018153400000000 ] - [ 0.0000570500000000, 0.0001087600000000, 0.0000930500000000 ] - [ -0.0012943200000000, 0.0024004200000000, -0.0018153400000000 ] - [ 0.0000216800000000, -0.0007669200000000, 0.0000348600000000 ] - [ -0.0000332800000000, -0.0003170600000000, -0.0001139600000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006567500000000, -0.0009905200000000, 0.0000000000000000 ] - [ 0.0012887500000000, 0.0002998000000000, 0.0000000000000000 ] - [ -0.0007049300000000, 0.0005880800000000, 0.0000000000000000 ] - [ -0.0000300400000000, -0.0004462100000000, 0.0000000000000000 ] - [ -0.0003727600000000, -0.0012537900000000, 0.0000000000000000 ] - [ 0.0006062600000000, 0.0001570200000000, 0.0000000000000000 ] - [ 0.0002499600000000, -0.0007130100000000, 0.0000000000000000 ] - [ 0.0001200800000000, -0.0001314500000000, 0.0000000000000000 ] - [ -0.0000564400000000, -0.0004016100000000, -0.0001446200000000 ] - [ -0.0024270200000000, -0.0024074300000000, 0.0011795700000000 ] - [ -0.0000564400000000, -0.0004016100000000, 0.0001446200000000 ] - [ -0.0024270200000000, -0.0024074300000000, -0.0011795700000000 ] - [ -0.0027595600000000, -0.0020352300000000, 0.0000000000000000 ] - [ 0.0001365300000000, -0.0007664700000000, 0.0000000000000000 ] - [ 0.0011875100000000, 0.0004297700000000, 0.0000000000000000 ] - [ -0.0002739300000000, 0.0004333600000000, 0.0000000000000000 ] - [ 0.0014742100000000, 0.0000944700000000, 0.0000000000000000 ] - [ -0.0009754900000000, -0.0004001600000000, 0.0000000000000000 ] - [ -0.0004990400000000, -0.0002865400000000, -0.0001126500000000 ] - [ 0.0001687300000000, -0.0003779100000000, 0.0000000000000000 ] - [ -0.0000072200000000, -0.0004424300000000, 0.0000000000000000 ] - [ -0.0004718100000000, 0.0015281400000000, 0.0000000000000000 ] - [ 0.0000551500000000, -0.0000830100000000, 0.0000000000000000 ] - [ 0.0001752500000000, -0.0004192500000000, 0.0000000000000000 ] - [ 0.0215700200000000, 0.0496402100000000, 0.0000000000000000 ] - [ 0.0003424600000000, -0.0003171200000000, 0.0000000000000000 ] - [ -0.0003057400000000, -0.0006984000000000, 0.0000000000000000 ] - [ -0.0002300300000000, -0.0001496400000000, 0.0000000000000000 ] - [ 0.0002335900000000, -0.0003820900000000, 0.0003426100000000 ] - [ 0.0005778600000000, -0.0003186200000000, 0.0000700700000000 ] - [ -0.0004990400000000, -0.0002865400000000, 0.0001126500000000 ] - [ -0.0006229600000000, 0.0010903500000000, -0.0005451300000000 ] - [ 0.0002832200000000, -0.0002310300000000, 0.0003228300000000 ] - [ 0.0002787600000000, -0.0003107100000000, -0.0001725000000000 ] - [ -0.0016617700000000, 0.0003030000000000, 0.0013157700000000 ] - [ -0.0001871100000000, -0.0006473400000000, -0.0001574100000000 ] - [ -0.0016617700000000, 0.0003030000000000, -0.0013157700000000 ] - [ -0.0001871100000000, -0.0006473400000000, 0.0001574100000000 ] - [ 0.0002832200000000, -0.0002310300000000, -0.0003228300000000 ] - [ 0.0002787600000000, -0.0003107100000000, 0.0001725000000000 ] - [ 0.0005778600000000, -0.0003186200000000, -0.0000700700000000 ] - [ 0.0002335900000000, -0.0003820900000000, -0.0003426100000000 ] - [ -0.0006229600000000, 0.0010903500000000, 0.0005451300000000 ] - [ 0.0003480900000000, -0.0004384500000000, 0.0000000000000000 ] - [ -0.0229152800000000, -0.0250779100000000, 0.0000000000000000 ] - [ -0.0001667500000000, 0.0004138300000000, 0.0000000000000000 ] - [ -0.0003959300000000, 0.0009723600000000, 0.0000000000000000 ] - [ 0.0004003000000000, 0.0006574100000000, 0.0000000000000000 ] - [ 0.0002782200000000, 0.0005687500000000, 0.0000000000000000 ] - [ 0.0003734800000000, -0.0013105100000000, 0.0000000000000000 ] - [ -0.0003931000000000, -0.0000177300000000, 0.0000000000000000 ] - [ -0.0005043700000000, 0.0006894200000000, 0.0000000000000000 ] - [ -0.0004799700000000, 0.0005041700000000, 0.0000000000000000 ] - [ 0.0003337900000000, -0.0015823300000000, 0.0000000000000000 ] - [ 0.0002496000000000, 0.0007636400000000, 0.0000000000000000 ] - [ -0.0001599700000000, 0.0003219900000000, 0.0000000000000000 ] - [ -0.0012704800000000, -0.0014385800000000, 0.0000000000000000 ] - [ -0.0000376700000000, 0.0005941100000000, 0.0000000000000000 ] - [ 0.0004445600000000, 0.0003427300000000, 0.0000000000000000 ] - [ -0.0000091300000000, 0.0003472300000000, 0.0000000000000000 ] - [ 0.0003382200000000, 0.0002236900000000, 0.0000061900000000 ] - [ 0.0001968600000000, 0.0003626300000000, -0.0002520300000000 ] - [ 0.0035099300000000, -0.0060471800000000, 0.0052376700000000 ] - [ -0.0001636000000000, 0.0002403900000000, -0.0001864300000000 ] - [ 0.0035099300000000, -0.0060471800000000, -0.0052376700000000 ] - [ -0.0001636000000000, 0.0002403900000000, 0.0001864300000000 ] - [ 0.0003382200000000, 0.0002236900000000, -0.0000061900000000 ] - [ 0.0001968600000000, 0.0003626300000000, 0.0002520300000000 ] - [ -0.0000785900000000, 0.0002431100000000, -0.0000592100000000 ] - [ -0.0000233400000000, 0.0008391900000000, -0.0000186100000000 ] - [ 0.0000019100000000, 0.0004140500000000, 0.0000010700000000 ] - [ 0.0013017500000000, -0.0028120500000000, -0.0015944500000000 ] - [ 0.0000019100000000, 0.0004140500000000, -0.0000010700000000 ] - [ 0.0013017500000000, -0.0028120500000000, 0.0015944500000000 ] - [ -0.0000785900000000, 0.0002431100000000, 0.0000592100000000 ] - [ -0.0000233400000000, 0.0008391900000000, 0.0000186100000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0006638800000000, -0.0007953700000000, -0.0000182400000000 ] - [ 0.0006663400000000, 0.0007943700000000, 0.0011347200000000 ] - [ -0.0006637700000000, 0.0007961400000000, -0.0000063300000000 ] - [ -0.0006623900000000, -0.0007968100000000, 0.0011615200000000 ] - [ -0.0001630900000000, 0.0002720300000000, -0.0003417100000000 ] - [ -0.0001633400000000, -0.0002676300000000, 0.0002948300000000 ] - [ 0.0001623900000000, -0.0002637800000000, 0.0000055400000000 ] - [ 0.0001626000000000, 0.0002650000000000, -0.0000248700000000 ] - [ -0.0000103100000000, 0.0000085800000000, -0.0001408300000000 ] - [ -0.0019807600000000, -0.0019385300000000, -0.0000499100000000 ] - [ 0.0000103900000000, -0.0000077400000000, 0.0001366400000000 ] - [ 0.0019826300000000, 0.0019293500000000, -0.0003215000000000 ] - [ 0.0002349100000000, 0.0006023500000000, -0.0005790100000000 ] - [ 0.0002188200000000, -0.0005901500000000, 0.0000125400000000 ] - [ -0.0002225900000000, -0.0005966400000000, -0.0004368800000000 ] - [ -0.0002187100000000, 0.0005906700000000, 0.0000084300000000 ] - [ -0.0002670600000000, -0.0000351200000000, -0.0001745700000000 ] - [ -0.0002634300000000, 0.0000331100000000, 0.0003877400000000 ] - [ -0.0003501600000000, 0.0001179400000000, -0.0002496700000000 ] - [ 0.0002651000000000, 0.0000327900000000, 0.0000097400000000 ] - [ -0.0000255200000000, -0.0001656900000000, 0.0000063100000000 ] - [ -0.0000286100000000, 0.0001626000000000, 0.0025898300000000 ] - [ 0.0000256700000000, 0.0001657400000000, 0.0000028300000000 ] - [ 0.0000259600000000, -0.0001656800000000, 0.0000342600000000 ] - [ 0.0001459900000000, 0.0001008700000000, -0.0295511600000000 ] - [ 0.0003019800000000, -0.0001079800000000, -0.0000150900000000 ] - [ -0.0003008500000000, -0.0001091000000000, -0.0002692800000000 ] - [ -0.0003020700000000, 0.0001081300000000, 0.0000018500000000 ] - [ 0.0003528000000000, -0.0000701000000000, 0.0002339400000000 ] - [ 0.0003573000000000, 0.0002015500000000, -0.0002378500000000 ] - [ -0.0003502500000000, 0.0000279500000000, 0.0002357200000000 ] - [ -0.0021251000000000, -0.0000524600000000, 0.0017446800000000 ] - [ 0.0002714100000000, 0.0000555200000000, 0.0002260000000000 ] - [ 0.0002871600000000, -0.0000765700000000, -0.0002136200000000 ] - [ -0.0005135500000000, -0.0002863100000000, 0.0005039000000000 ] - [ -0.0002232100000000, -0.0004902900000000, -0.0001917200000000 ] - [ -0.0000816700000000, 0.0001402400000000, 0.0000741000000000 ] - [ -0.0003590000000000, 0.0006327300000000, 0.0002296900000000 ] - [ 0.0003097600000000, 0.0000845400000000, -0.0001943000000000 ] - [ 0.0002936400000000, -0.0000623000000000, 0.0002073300000000 ] - [ 0.0003435200000000, -0.0000572000000000, 0.0002479300000000 ] - [ 0.0003487100000000, -0.0000731200000000, -0.0002501000000000 ] - [ 0.0014080500000000, -0.0000788500000000, 0.0022198800000000 ] - [ 0.0002648000000000, -0.0000319800000000, -0.0000028700000000 ] - [ -0.0002571200000000, 0.0001495500000000, 0.0054666500000000 ] - [ -0.0003117800000000, -0.0001056500000000, 0.0000320000000000 ] - [ 0.0003115300000000, -0.0001054700000000, 0.0012633600000000 ] - [ 0.0003111800000000, 0.0001043900000000, 0.0000007400000000 ] - [ 0.0003246200000000, 0.0002788700000000, -0.0000233400000000 ] - [ 0.0003338400000000, -0.0002764400000000, -0.0016423900000000 ] - [ -0.0003251500000000, -0.0002799100000000, 0.0000048400000000 ] - [ -0.0003261400000000, 0.0002795700000000, -0.0004579500000000 ] - [ -0.0001424000000000, -0.0002246400000000, 0.0002214000000000 ] - [ -0.0001440800000000, 0.0002152900000000, -0.0011357900000000 ] - [ 0.0001454000000000, 0.0002209600000000, 0.0000094200000000 ] - [ 0.0001462600000000, -0.0002217800000000, 0.0001076100000000 ] - [ -0.0001463900000000, 0.0000232700000000, -0.0005234100000000 ] - [ -0.0001450500000000, -0.0000245600000000, -0.0003350600000000 ] - [ 0.0001435700000000, -0.0000243000000000, -0.0000726100000000 ] - [ 0.0001444300000000, 0.0000231500000000, 0.0000020100000000 ] - [ 0.0002898100000000, 0.0000849500000000, 0.0003012700000000 ] - [ 0.0001766300000000, 0.0000761400000000, -0.0002162300000000 ] - [ 0.0033634200000000, -0.0046249900000000, 0.0060237400000000 ] - [ -0.0001630800000000, -0.0001309700000000, -0.0002082500000000 ] - [ -0.0035675700000000, 0.0046299200000000, 0.0054496800000000 ] - [ -0.0001892700000000, -0.0000251800000000, 0.0002245200000000 ] - [ 0.0000598200000000, -0.0002388600000000, -0.0001347400000000 ] - [ 0.0001758600000000, 0.0000787600000000, 0.0002165600000000 ] - [ -0.0000279800000000, -0.0002695400000000, -0.0000462000000000 ] - [ -0.0000401800000000, 0.0002445300000000, 0.0000504100000000 ] - [ 0.0000658300000000, 0.0003557600000000, -0.0000650700000000 ] - [ -0.0012697800000000, 0.0019357100000000, 0.0035929300000000 ] - [ -0.0000114900000000, 0.0001730700000000, 0.0000307900000000 ] - [ 0.0012929200000000, -0.0023466500000000, 0.0034188900000000 ] - [ -0.0000291600000000, -0.0002548400000000, 0.0000479800000000 ] - [ -0.0000168800000000, 0.0002770700000000, -0.0000441900000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006361000000000, -0.0008253600000000, 0.0000027700000000 ] - [ 0.0005279800000000, 0.0009437400000000, -0.0003674500000000 ] - [ -0.0006183700000000, 0.0006819500000000, -0.0000072500000000 ] - [ -0.0007678800000000, -0.0005252600000000, -0.0000909300000000 ] - [ -0.0001683100000000, 0.0002623400000000, -0.0000188700000000 ] - [ -0.0001407700000000, -0.0002800700000000, 0.0000198000000000 ] - [ 0.0013954000000000, -0.0019220900000000, 0.0003966100000000 ] - [ 0.0014544900000000, 0.0004190900000000, 0.0011871800000000 ] - [ -0.0000126600000000, 0.0000241400000000, -0.0000998600000000 ] - [ 0.0003791500000000, -0.0004138100000000, 0.0006940600000000 ] - [ 0.0000064300000000, 0.0000011100000000, 0.0001184500000000 ] - [ 0.0002803000000000, -0.0006108800000000, -0.0003059600000000 ] - [ 0.0002795700000000, 0.0005638500000000, 0.0002675100000000 ] - [ 0.0002064400000000, -0.0006091500000000, -0.0000013100000000 ] - [ -0.0010102600000000, -0.0001847000000000, 0.0001236000000000 ] - [ -0.0001611100000000, 0.0005218000000000, 0.0000034000000000 ] - [ -0.0002915400000000, -0.0000822000000000, -0.0000043500000000 ] - [ -0.0002489300000000, 0.0000234100000000, 0.0000010400000000 ] - [ -0.0003528200000000, 0.0000580300000000, -0.0002248000000000 ] - [ 0.0034184800000000, 0.0023126100000000, -0.0014561800000000 ] - [ -0.0000295000000000, -0.0001664900000000, 0.0000026800000000 ] - [ -0.0000896700000000, 0.0001988400000000, 0.0000150600000000 ] - [ 0.0000429000000000, 0.0002991000000000, -0.0000469300000000 ] - [ 0.0021747200000000, 0.0010836800000000, -0.0008419600000000 ] - [ 0.0004013500000000, 0.0001165500000000, -0.0000194200000000 ] - [ 0.0002982000000000, -0.0001199000000000, 0.0000032500000000 ] - [ 0.0019352300000000, 0.0012735500000000, 0.0002163500000000 ] - [ -0.0003115100000000, 0.0002121500000000, 0.0000685200000000 ] - [ 0.0001088300000000, -0.0002628400000000, 0.0002812100000000 ] - [ 0.0015921400000000, -0.0014245200000000, -0.0020173100000000 ] - [ -0.0003479000000000, 0.0000735300000000, 0.0002317100000000 ] - [ -0.0003962000000000, 0.0000470500000000, -0.0000817900000000 ] - [ -0.0490985300000000, 0.0043595000000000, 0.0154006300000000 ] - [ 0.0002885400000000, -0.0003343000000000, -0.0000771900000000 ] - [ -0.0002033900000000, -0.0000843400000000, 0.0003307700000000 ] - [ -0.0002906100000000, 0.0000629600000000, -0.0002096000000000 ] - [ -0.0001575700000000, -0.0000717300000000, -0.0001592700000000 ] - [ -0.0002997800000000, 0.0000641700000000, 0.0002183200000000 ] - [ -0.0034432600000000, 0.0013835700000000, 0.0000160900000000 ] - [ 0.0008984000000000, 0.0000772100000000, -0.0000535500000000 ] - [ 0.0025605100000000, -0.0014514300000000, 0.0041058300000000 ] - [ 0.0002433800000000, 0.0000171200000000, -0.0003088500000000 ] - [ -0.0001549200000000, -0.0002744100000000, 0.0004696400000000 ] - [ 0.0009433400000000, -0.0011940700000000, -0.0004017100000000 ] - [ -0.0005682500000000, 0.0004668200000000, -0.0001184400000000 ] - [ -0.0003143400000000, -0.0001008500000000, -0.0000044700000000 ] - [ -0.0004248100000000, -0.0000657500000000, 0.0007536000000000 ] - [ 0.0003864700000000, 0.0000804900000000, -0.0000623900000000 ] - [ 0.0003276600000000, 0.0002604600000000, -0.0000018800000000 ] - [ 0.0003071200000000, -0.0001896300000000, -0.0001474300000000 ] - [ -0.0001741500000000, -0.0002277300000000, 0.0000858300000000 ] - [ -0.0008438700000000, 0.0002780200000000, -0.0004027500000000 ] - [ -0.0001290500000000, -0.0002127300000000, -0.0000001000000000 ] - [ -0.0002950400000000, 0.0002231400000000, -0.0002578000000000 ] - [ 0.0000225300000000, 0.0003510200000000, 0.0008195700000000 ] - [ 0.0091641000000000, -0.0019693700000000, 0.0040558900000000 ] - [ -0.0001467000000000, 0.0000001700000000, -0.0000004900000000 ] - [ -0.0001523900000000, -0.0000134300000000, -0.0000051600000000 ] - [ 0.0275915300000000, -0.0073397500000000, -0.0220953900000000 ] - [ -0.0000208000000000, 0.0006823800000000, -0.0004411600000000 ] - [ 0.0002499800000000, 0.0001948800000000, 0.0000731900000000 ] - [ 0.0001063400000000, 0.0001104600000000, -0.0002368000000000 ] - [ -0.0000327800000000, -0.0000543600000000, 0.0002121200000000 ] - [ -0.0001663000000000, -0.0000642100000000, -0.0002197400000000 ] - [ -0.0000573900000000, -0.0000499000000000, -0.0001775100000000 ] - [ -0.0001631600000000, -0.0000615800000000, 0.0002176200000000 ] - [ 0.0007712900000000, 0.0005215700000000, -0.0001704900000000 ] - [ 0.0000887900000000, 0.0000811600000000, 0.0002256700000000 ] - [ 0.0005431100000000, -0.0008069200000000, 0.0002232100000000 ] - [ -0.0005630700000000, 0.0002644400000000, 0.0003048500000000 ] - [ 0.0000254300000000, 0.0002769100000000, -0.0000405700000000 ] - [ 0.0000252800000000, -0.0002735200000000, 0.0000508800000000 ] - [ 0.0000202600000000, 0.0002694500000000, 0.0000452800000000 ] - [ 0.0000651300000000, -0.0002527800000000, -0.0000370400000000 ] - [ 0.0021897400000000, 0.0032513400000000, -0.0001855000000000 ] - [ 0.0006909600000000, 0.0001262100000000, 0.0001574100000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006913000000000, -0.0007671000000000, -0.0000026700000000 ] - [ 0.0008014500000000, 0.0006474900000000, 0.0003653800000000 ] - [ -0.0007084600000000, 0.0009086700000000, 0.0000074000000000 ] - [ -0.0005622400000000, -0.0010645300000000, 0.0000932100000000 ] - [ -0.0001562700000000, 0.0002647000000000, 0.0000189700000000 ] - [ -0.0001848500000000, -0.0002503700000000, -0.0000195000000000 ] - [ -0.0010680000000000, 0.0013845400000000, -0.0003944100000000 ] - [ -0.0011325100000000, 0.0001181000000000, -0.0012071800000000 ] - [ 0.0000118500000000, -0.0000252800000000, -0.0001777100000000 ] - [ -0.0003759100000000, 0.0004174600000000, -0.0004116500000000 ] - [ -0.0000066200000000, -0.0000023700000000, 0.0001595900000000 ] - [ -0.0002792800000000, 0.0006023800000000, 0.0000277200000000 ] - [ 0.0001632400000000, 0.0006217400000000, -0.0002661300000000 ] - [ 0.0002304600000000, -0.0005730500000000, 0.0000013600000000 ] - [ 0.0005653000000000, -0.0010016300000000, -0.0001251100000000 ] - [ -0.0002753600000000, 0.0006578600000000, -0.0000033200000000 ] - [ -0.0002388300000000, 0.0000162900000000, 0.0000045400000000 ] - [ -0.0002803500000000, 0.0000397400000000, -0.0000009700000000 ] - [ -0.0003486900000000, 0.0000849900000000, -0.0002591800000000 ] - [ -0.0029155400000000, -0.0022448900000000, 0.0014959500000000 ] - [ -0.0000216800000000, -0.0001652900000000, -0.0000025400000000 ] - [ 0.0000379100000000, 0.0001315900000000, -0.0000147600000000 ] - [ 0.0000078200000000, 0.0000359200000000, 0.0000440100000000 ] - [ -0.0021110000000000, -0.0014055400000000, 0.0008357400000000 ] - [ 0.0002057100000000, 0.0000991800000000, 0.0000188300000000 ] - [ 0.0003060400000000, -0.0000966300000000, -0.0000031700000000 ] - [ -0.0025187200000000, -0.0014800700000000, -0.0002154100000000 ] - [ -0.0002935400000000, 0.0000061500000000, -0.0000673400000000 ] - [ 0.0005917000000000, 0.0001156800000000, 0.0002027500000000 ] - [ -0.0008229500000000, 0.0015251000000000, 0.0015859400000000 ] - [ -0.0003540300000000, 0.0000690400000000, 0.0002522900000000 ] - [ -0.0003050800000000, -0.0001928900000000, -0.0004024900000000 ] - [ 0.0500648800000000, -0.0043329500000000, -0.0155524700000000 ] - [ 0.0002979400000000, 0.0001945600000000, -0.0003433100000000 ] - [ -0.0003784600000000, -0.0000553700000000, 0.0000885500000000 ] - [ -0.0002902800000000, 0.0000755400000000, -0.0002116200000000 ] - [ -0.0004235700000000, -0.0000677000000000, -0.0002589700000000 ] - [ -0.0002811000000000, 0.0000742700000000, 0.0002025400000000 ] - [ 0.0040344100000000, -0.0012457600000000, -0.0004026900000000 ] - [ -0.0003176000000000, -0.0002193900000000, 0.0004744800000000 ] - [ -0.0019270500000000, 0.0016403000000000, -0.0036851300000000 ] - [ 0.0004572500000000, -0.0001608500000000, -0.0001762300000000 ] - [ -0.0005462000000000, 0.0001283300000000, 0.0000166000000000 ] - [ -0.0004084400000000, 0.0011190000000000, 0.0004012800000000 ] - [ -0.0000569400000000, -0.0002520700000000, 0.0001217900000000 ] - [ -0.0003079500000000, -0.0001077900000000, 0.0000040900000000 ] - [ 0.0010485300000000, -0.0001260700000000, -0.0007603100000000 ] - [ 0.0002398500000000, 0.0001305600000000, 0.0000622800000000 ] - [ 0.0003226600000000, 0.0002992800000000, 0.0000021000000000 ] - [ 0.0003437500000000, -0.0003711300000000, 0.0001449800000000 ] - [ -0.0004742100000000, -0.0003303700000000, -0.0000849600000000 ] - [ 0.0001610900000000, 0.0003094700000000, 0.0004262400000000 ] - [ -0.0001614400000000, -0.0002289900000000, 0.0000001600000000 ] - [ 0.0000056400000000, 0.0002224000000000, 0.0002569900000000 ] - [ 0.0002686200000000, 0.0000932500000000, -0.0008100000000000 ] - [ -0.0089832600000000, 0.0015551300000000, -0.0043385200000000 ] - [ -0.0001395000000000, 0.0000458900000000, -0.0000001700000000 ] - [ -0.0001365800000000, -0.0000325900000000, 0.0000053100000000 ] - [ -0.0277326000000000, 0.0074333100000000, 0.0228953200000000 ] - [ 0.0003062400000000, -0.0006351600000000, 0.0004322900000000 ] - [ 0.0001068100000000, -0.0003500900000000, 0.0003607300000000 ] - [ 0.0002449500000000, 0.0000467400000000, -0.0001955300000000 ] - [ -0.0003199600000000, 0.0002104100000000, 0.0002195400000000 ] - [ -0.0001861900000000, -0.0000907100000000, -0.0002125300000000 ] - [ -0.0002941700000000, 0.0002063500000000, -0.0002543700000000 ] - [ -0.0001894100000000, -0.0000933400000000, 0.0002145600000000 ] - [ -0.0004223100000000, -0.0006822200000000, -0.0002668900000000 ] - [ 0.0002628400000000, 0.0000751100000000, 0.0002065000000000 ] - [ -0.0005972300000000, 0.0002815200000000, -0.0003179400000000 ] - [ 0.0004998100000000, 0.0002441200000000, -0.0002102400000000 ] - [ 0.0000317800000000, 0.0002478200000000, -0.0000535500000000 ] - [ 0.0000319400000000, -0.0002487700000000, 0.0000430800000000 ] - [ 0.0000370400000000, 0.0002553700000000, 0.0000491700000000 ] - [ -0.0000075100000000, -0.0002693700000000, -0.0000569200000000 ] - [ -0.0022227800000000, -0.0038142500000000, 0.0002787600000000 ] - [ -0.0006142000000000, 0.0003492300000000, -0.0002551400000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007127100000000, -0.0005819500000000, 0.0000011600000000 ] - [ 0.0002653500000000, 0.0010507500000000, -0.0004626700000000 ] - [ -0.0006706200000000, 0.0010728400000000, 0.0000790800000000 ] - [ -0.0008127000000000, -0.0011725700000000, -0.0003286500000000 ] - [ -0.0002204700000000, 0.0006320800000000, 0.0000245100000000 ] - [ -0.0001215500000000, 0.0001039400000000, -0.0000037600000000 ] - [ -0.0011062000000000, 0.0011848300000000, -0.0006938700000000 ] - [ 0.0015088500000000, -0.0010647200000000, 0.0019814500000000 ] - [ 0.0000172700000000, 0.0005011200000000, -0.0001249900000000 ] - [ -0.0001479900000000, 0.0001040200000000, 0.0000711200000000 ] - [ 0.0000397000000000, 0.0003421000000000, 0.0001712500000000 ] - [ 0.0005511000000000, 0.0005208000000000, 0.0000933400000000 ] - [ -0.0000869300000000, 0.0007988300000000, 0.0002378400000000 ] - [ 0.0002425700000000, -0.0004696900000000, -0.0000089900000000 ] - [ -0.0006154800000000, -0.0009014000000000, 0.0004061400000000 ] - [ -0.0000974800000000, 0.0007227900000000, -0.0000275600000000 ] - [ -0.0001708600000000, 0.0003697900000000, 0.0000059000000000 ] - [ -0.0003657000000000, 0.0004292000000000, 0.0000014500000000 ] - [ -0.0002413400000000, 0.0003501900000000, -0.0003341300000000 ] - [ 0.0030368400000000, -0.0025034000000000, -0.0028797300000000 ] - [ -0.0000440200000000, 0.0000491000000000, -0.0000024300000000 ] - [ -0.0000358800000000, 0.0004013400000000, 0.0000135800000000 ] - [ 0.0001366400000000, 0.0007205200000000, -0.0004927500000000 ] - [ -0.0007274900000000, -0.0014571100000000, -0.0004042300000000 ] - [ 0.0004002900000000, 0.0004094700000000, -0.0000144400000000 ] - [ 0.0002455100000000, 0.0001334900000000, -0.0000071200000000 ] - [ 0.0004185900000000, -0.0004875200000000, 0.0002113100000000 ] - [ -0.0004632300000000, 0.0008230600000000, 0.0005571800000000 ] - [ 0.0004984900000000, 0.0000543800000000, 0.0001959700000000 ] - [ -0.0000353300000000, 0.0004613500000000, 0.0007070800000000 ] - [ -0.0002407200000000, 0.0003581400000000, 0.0003455900000000 ] - [ -0.0003910400000000, 0.0001206500000000, -0.0002204100000000 ] - [ 0.0046200000000000, -0.0318379900000000, -0.0023292400000000 ] - [ 0.0005510200000000, -0.0002276500000000, -0.0000095900000000 ] - [ -0.0003049000000000, 0.0001504800000000, 0.0001874300000000 ] - [ -0.0002843100000000, 0.0002619300000000, -0.0001393800000000 ] - [ -0.0002920900000000, 0.0002088800000000, -0.0002496700000000 ] - [ -0.0002853500000000, 0.0002670900000000, 0.0001554300000000 ] - [ 0.0015992600000000, -0.0008417200000000, -0.0007168200000000 ] - [ 0.0001448400000000, 0.0003045100000000, -0.0000533700000000 ] - [ -0.0012633200000000, 0.0004379100000000, -0.0015832600000000 ] - [ 0.0000742000000000, 0.0003577700000000, -0.0002937700000000 ] - [ -0.0003961800000000, 0.0001391600000000, 0.0001791900000000 ] - [ -0.0000250000000000, -0.0000267600000000, 0.0004619900000000 ] - [ -0.0003006200000000, -0.0003430300000000, -0.0001414500000000 ] - [ -0.0004096000000000, -0.0006327700000000, 0.0000445600000000 ] - [ 0.0013589800000000, 0.0000306900000000, 0.0001654000000000 ] - [ 0.0005657000000000, -0.0005381000000000, -0.0000676300000000 ] - [ 0.0003877200000000, 0.0000469200000000, -0.0000289900000000 ] - [ 0.0002129200000000, -0.0004873000000000, 0.0001130700000000 ] - [ -0.0001124900000000, -0.0007962600000000, 0.0000828900000000 ] - [ -0.0000705200000000, 0.0001737500000000, 0.0001040000000000 ] - [ -0.0002866700000000, -0.0006887800000000, -0.0000210900000000 ] - [ -0.0000166600000000, -0.0002086700000000, 0.0000497900000000 ] - [ -0.0003024200000000, 0.0001444000000000, -0.0009620200000000 ] - [ -0.0031626300000000, 0.0049318400000000, -0.0035018600000000 ] - [ -0.0002931100000000, -0.0002903200000000, 0.0000177600000000 ] - [ 0.0000162600000000, -0.0002944300000000, 0.0000002700000000 ] - [ -0.0077265700000000, 0.0095686600000000, 0.0092757500000000 ] - [ -0.0002056100000000, -0.0001589800000000, 0.0002624600000000 ] - [ 0.0000720900000000, 0.0003072000000000, 0.0000836800000000 ] - [ 0.0000939700000000, -0.0002459800000000, -0.0001647400000000 ] - [ -0.0001045800000000, -0.0002635500000000, 0.0001032400000000 ] - [ -0.0001870500000000, -0.0003443800000000, -0.0002225000000000 ] - [ -0.0000960400000000, -0.0002840300000000, -0.0000832700000000 ] - [ -0.0002046500000000, -0.0003493700000000, 0.0002166100000000 ] - [ 0.0032487100000000, 0.0103248900000000, -0.0000786100000000 ] - [ 0.0001170100000000, -0.0001633700000000, 0.0001239900000000 ] - [ 0.0001750700000000, 0.0001983400000000, -0.0000332000000000 ] - [ -0.0006551100000000, 0.0014427600000000, 0.0001130900000000 ] - [ 0.0000776600000000, -0.0001853000000000, -0.0000567200000000 ] - [ -0.0000130500000000, -0.0007215100000000, 0.0000211600000000 ] - [ 0.0000818600000000, -0.0001838500000000, 0.0000562400000000 ] - [ -0.0000201300000000, -0.0007332400000000, -0.0000244500000000 ] - [ 0.0027412300000000, 0.0070647900000000, 0.0001573700000000 ] - [ -0.0005987400000000, 0.0014089300000000, -0.0003119400000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006146800000000, -0.0010096800000000, -0.0000008800000000 ] - [ 0.0010590100000000, 0.0005409100000000, 0.0004599600000000 ] - [ -0.0006564100000000, 0.0005191200000000, -0.0000802100000000 ] - [ -0.0005153800000000, -0.0004203100000000, 0.0003270700000000 ] - [ -0.0001047400000000, -0.0001029600000000, -0.0000243900000000 ] - [ -0.0002034300000000, -0.0006326900000000, 0.0000040500000000 ] - [ 0.0014335100000000, -0.0017117500000000, 0.0007073400000000 ] - [ -0.0011886500000000, 0.0015912200000000, -0.0019843600000000 ] - [ -0.0000167800000000, -0.0005014500000000, -0.0001533300000000 ] - [ 0.0001460600000000, -0.0001061600000000, 0.0002126300000000 ] - [ -0.0000390100000000, -0.0003414800000000, 0.0001061600000000 ] - [ -0.0005436900000000, -0.0005253600000000, -0.0003709600000000 ] - [ 0.0005241900000000, 0.0003813000000000, -0.0002368000000000 ] - [ 0.0001954800000000, -0.0007109800000000, 0.0000089600000000 ] - [ 0.0001733500000000, -0.0002784200000000, -0.0004033000000000 ] - [ -0.0003409600000000, 0.0004583000000000, 0.0000276400000000 ] - [ -0.0003590900000000, -0.0004344100000000, -0.0000059300000000 ] - [ -0.0001642300000000, -0.0003638100000000, -0.0000014600000000 ] - [ -0.0004598900000000, -0.0002058700000000, -0.0001507100000000 ] - [ -0.0025079600000000, 0.0025672200000000, 0.0028739000000000 ] - [ -0.0000073600000000, -0.0003799200000000, 0.0000024600000000 ] - [ -0.0000156900000000, -0.0000689300000000, -0.0000134600000000 ] - [ -0.0000858200000000, -0.0003935400000000, 0.0004990800000000 ] - [ 0.0007723500000000, 0.0011239700000000, 0.0004058400000000 ] - [ 0.0002035100000000, -0.0001920400000000, 0.0000145300000000 ] - [ 0.0003584000000000, -0.0003491400000000, 0.0000071200000000 ] - [ -0.0010252900000000, 0.0002641600000000, -0.0002154000000000 ] - [ -0.0001390300000000, -0.0006147100000000, -0.0005659800000000 ] - [ 0.0002051500000000, -0.0001944800000000, 0.0002877300000000 ] - [ 0.0007470000000000, -0.0003340700000000, -0.0011927800000000 ] - [ -0.0004607500000000, -0.0002142600000000, 0.0001389600000000 ] - [ -0.0003107100000000, -0.0002647900000000, -0.0002632500000000 ] - [ -0.0040632500000000, 0.0320525000000000, 0.0028355400000000 ] - [ 0.0000222000000000, 0.0000881200000000, -0.0004107700000000 ] - [ -0.0002759600000000, -0.0002893900000000, 0.0002335700000000 ] - [ -0.0002967700000000, -0.0001223600000000, -0.0002815500000000 ] - [ -0.0002881200000000, -0.0003479400000000, -0.0001706800000000 ] - [ -0.0002954600000000, -0.0001278500000000, 0.0002648300000000 ] - [ -0.0010300500000000, 0.0009824200000000, 0.0002870900000000 ] - [ 0.0004413900000000, -0.0004389600000000, 0.0004755400000000 ] - [ 0.0019480100000000, -0.0002983300000000, 0.0020517100000000 ] - [ 0.0006323000000000, -0.0005009700000000, -0.0001875400000000 ] - [ -0.0003048700000000, -0.0002840200000000, 0.0003058000000000 ] - [ 0.0005445800000000, -0.0000221200000000, -0.0004625300000000 ] - [ -0.0003216900000000, 0.0005513200000000, 0.0001393000000000 ] - [ -0.0002129600000000, 0.0004218700000000, -0.0000450400000000 ] - [ -0.0007303400000000, -0.0002248600000000, -0.0001641600000000 ] - [ 0.0000497700000000, 0.0007494400000000, 0.0000687500000000 ] - [ 0.0002628700000000, 0.0005119600000000, 0.0000294200000000 ] - [ 0.0004378100000000, -0.0000730000000000, -0.0001134300000000 ] - [ -0.0005422500000000, 0.0002376200000000, -0.0000840800000000 ] - [ -0.0005955600000000, 0.0003958800000000, -0.0000958900000000 ] - [ -0.0000046800000000, 0.0002446300000000, 0.0000212000000000 ] - [ -0.0002746100000000, 0.0006514900000000, -0.0000507800000000 ] - [ 0.0006017500000000, 0.0002802000000000, 0.0009573600000000 ] - [ 0.0034788300000000, -0.0053952900000000, 0.0034919900000000 ] - [ 0.0000045800000000, 0.0003370400000000, -0.0000177700000000 ] - [ -0.0003045200000000, 0.0002466000000000, -0.0000000900000000 ] - [ 0.0080771400000000, -0.0096615300000000, -0.0092997200000000 ] - [ 0.0005017400000000, 0.0001933400000000, -0.0002520200000000 ] - [ 0.0002805000000000, -0.0004589100000000, 0.0003497200000000 ] - [ 0.0002609200000000, 0.0004009300000000, -0.0002679000000000 ] - [ -0.0002482900000000, 0.0004169200000000, 0.0003295600000000 ] - [ -0.0001658000000000, 0.0001881500000000, -0.0002103400000000 ] - [ -0.0002560900000000, 0.0004363000000000, -0.0003494400000000 ] - [ -0.0001481400000000, 0.0001932800000000, 0.0002161200000000 ] - [ -0.0027511300000000, -0.0100421700000000, -0.0003750700000000 ] - [ 0.0002371500000000, 0.0003193300000000, 0.0003090600000000 ] - [ -0.0002363300000000, -0.0007287800000000, -0.0000593500000000 ] - [ 0.0006011100000000, -0.0009131600000000, -0.0000164100000000 ] - [ -0.0000205300000000, 0.0007078400000000, -0.0000375600000000 ] - [ 0.0000701000000000, 0.0001971900000000, 0.0000730000000000 ] - [ -0.0000245900000000, 0.0007066000000000, 0.0000381000000000 ] - [ 0.0000773500000000, 0.0002091200000000, -0.0000700600000000 ] - [ -0.0029543000000000, -0.0080216900000000, -0.0000873700000000 ] - [ 0.0005283800000000, -0.0008637500000000, 0.0002117100000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0006468700000000, -0.0009029200000000, -0.0000075400000000 ] - [ 0.0006747500000000, 0.0008470400000000, -0.0001223000000000 ] - [ -0.0006439300000000, 0.0006373200000000, -0.0000068700000000 ] - [ -0.0007001200000000, -0.0007715200000000, 0.0001030000000000 ] - [ -0.0001259800000000, 0.0001531200000000, -0.0000347900000000 ] - [ -0.0001732300000000, -0.0004071900000000, 0.0000243000000000 ] - [ 0.0014998500000000, -0.0022801000000000, -0.0001014800000000 ] - [ 0.0015115600000000, 0.0020420200000000, 0.0008080300000000 ] - [ -0.0000272300000000, -0.0000388200000000, -0.0001501400000000 ] - [ -0.0002300500000000, 0.0000391900000000, 0.0012149700000000 ] - [ -0.0000172400000000, -0.0000301200000000, 0.0001426500000000 ] - [ 0.0002204600000000, -0.0012499000000000, 0.0002343200000000 ] - [ 0.0002800800000000, 0.0006340300000000, -0.0002005100000000 ] - [ 0.0002395000000000, -0.0005888900000000, -0.0000061400000000 ] - [ -0.0001710400000000, -0.0005431500000000, -0.0000474300000000 ] - [ -0.0002850000000000, 0.0006468600000000, 0.0000145000000000 ] - [ -0.0002756000000000, -0.0000734600000000, -0.0000003600000000 ] - [ -0.0002469300000000, -0.0000348800000000, -0.0000006000000000 ] - [ -0.0003604500000000, -0.0000064800000000, -0.0002567200000000 ] - [ -0.0024080000000000, -0.0039291900000000, 0.0002860200000000 ] - [ -0.0000144000000000, -0.0002262200000000, -0.0000001700000000 ] - [ 0.0000407600000000, 0.0002196600000000, -0.0000189200000000 ] - [ 0.0002377700000000, 0.0001127500000000, -0.0000979800000000 ] - [ -0.0014641200000000, -0.0015196900000000, 0.0007889400000000 ] - [ 0.0002893400000000, -0.0000033000000000, 0.0000161300000000 ] - [ 0.0003112100000000, -0.0001454000000000, -0.0000031200000000 ] - [ 0.0016976200000000, 0.0010040600000000, 0.0002830400000000 ] - [ -0.0003470300000000, 0.0001629100000000, 0.0000207900000000 ] - [ 0.0002953800000000, -0.0000631900000000, 0.0004381000000000 ] - [ 0.0061863000000000, -0.0036663400000000, 0.0096679500000000 ] - [ -0.0003602600000000, -0.0000096000000000, 0.0002462100000000 ] - [ -0.0003085600000000, -0.0000957200000000, -0.0001638100000000 ] - [ 0.0163595600000000, -0.0026536500000000, -0.0467046000000000 ] - [ 0.0001585600000000, 0.0001355600000000, -0.0007246700000000 ] - [ -0.0004120000000000, -0.0000464100000000, 0.0003643200000000 ] - [ -0.0002894600000000, -0.0000011100000000, -0.0002088500000000 ] - [ -0.0002412700000000, -0.0001092800000000, -0.0000538700000000 ] - [ -0.0002983400000000, 0.0000151000000000, 0.0002012700000000 ] - [ 0.0000511200000000, 0.0005823300000000, 0.0063736900000000 ] - [ 0.0000265200000000, 0.0001952400000000, 0.0007960000000000 ] - [ -0.0009212000000000, 0.0007298700000000, 0.0012814500000000 ] - [ 0.0002021500000000, 0.0000460300000000, -0.0003122200000000 ] - [ -0.0001154600000000, -0.0003578900000000, 0.0005878700000000 ] - [ -0.0008024000000000, 0.0019394800000000, 0.0007407600000000 ] - [ -0.0004507700000000, 0.0005123900000000, 0.0001283700000000 ] - [ -0.0003145200000000, -0.0000440400000000, -0.0000003400000000 ] - [ 0.0004257600000000, 0.0012140600000000, -0.0028312700000000 ] - [ 0.0004653900000000, 0.0001605300000000, 0.0000037200000000 ] - [ 0.0003228000000000, 0.0003548000000000, 0.0000149600000000 ] - [ 0.0003498900000000, -0.0000959500000000, -0.0001733600000000 ] - [ -0.0003174100000000, -0.0004100900000000, -0.0000160900000000 ] - [ -0.0006630400000000, 0.0012683500000000, 0.0023445300000000 ] - [ -0.0001686800000000, -0.0000824600000000, 0.0000332400000000 ] - [ -0.0002242600000000, 0.0003585900000000, -0.0002703000000000 ] - [ 0.0005388500000000, 0.0002859900000000, 0.0009043300000000 ] - [ 0.0014332800000000, -0.0011892600000000, -0.0033541200000000 ] - [ -0.0000975600000000, 0.0001085500000000, -0.0000597800000000 ] - [ -0.0001713300000000, 0.0000491000000000, -0.0000064600000000 ] - [ -0.0212431400000000, 0.0088346000000000, 0.0250180500000000 ] - [ 0.0005030500000000, -0.0007504900000000, 0.0008606600000000 ] - [ 0.0001728700000000, -0.0001107600000000, -0.0002016000000000 ] - [ 0.0001317600000000, 0.0001154800000000, -0.0003448800000000 ] - [ -0.0001914000000000, 0.0000988100000000, 0.0000862300000000 ] - [ -0.0001734300000000, -0.0000109600000000, -0.0002740000000000 ] - [ -0.0000790200000000, 0.0001262300000000, -0.0000337400000000 ] - [ -0.0001658700000000, -0.0000084000000000, 0.0002804500000000 ] - [ -0.0004448500000000, -0.0002240000000000, 0.0006877600000000 ] - [ 0.0001487000000000, 0.0000887900000000, 0.0003607700000000 ] - [ -0.0000846800000000, -0.0000026200000000, -0.0008483700000000 ] - [ -0.0004838900000000, -0.0006687800000000, -0.0007823400000000 ] - [ 0.0000260400000000, 0.0003886100000000, -0.0000598100000000 ] - [ 0.0000160000000000, -0.0001775400000000, 0.0000573700000000 ] - [ 0.0000129800000000, 0.0003611100000000, 0.0000678100000000 ] - [ 0.0000797400000000, -0.0001602000000000, -0.0000238100000000 ] - [ -0.0003335800000000, -0.0005201700000000, 0.0014509400000000 ] - [ 0.0012902200000000, -0.0002584300000000, 0.0015698700000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0006806600000000, -0.0006886300000000, 0.0000077400000000 ] - [ 0.0006565700000000, 0.0007401900000000, 0.0001283100000000 ] - [ -0.0006836400000000, 0.0009551000000000, 0.0000071200000000 ] - [ -0.0006249800000000, -0.0008256200000000, -0.0001019900000000 ] - [ -0.0001996100000000, 0.0003768000000000, 0.0000348400000000 ] - [ -0.0001522500000000, -0.0001202100000000, -0.0000239400000000 ] - [ -0.0011805200000000, 0.0017498600000000, 0.0000882500000000 ] - [ -0.0012061000000000, -0.0015223400000000, -0.0008062100000000 ] - [ 0.0000270700000000, 0.0000415600000000, -0.0001276200000000 ] - [ 0.0002299400000000, -0.0000411100000000, -0.0009359000000000 ] - [ 0.0000174700000000, 0.0000311700000000, 0.0001358900000000 ] - [ -0.0002303700000000, 0.0012634300000000, -0.0005199300000000 ] - [ 0.0001637900000000, 0.0005492500000000, 0.0001986500000000 ] - [ 0.0001978500000000, -0.0005923600000000, 0.0000065500000000 ] - [ -0.0002744800000000, -0.0006433500000000, 0.0000471800000000 ] - [ -0.0001507400000000, 0.0005340700000000, -0.0000142500000000 ] - [ -0.0002539000000000, 0.0000099600000000, 0.0000005500000000 ] - [ -0.0002832000000000, 0.0001003200000000, 0.0000009000000000 ] - [ -0.0003401500000000, 0.0001514600000000, -0.0002281800000000 ] - [ 0.0029019000000000, 0.0039793900000000, -0.0002815700000000 ] - [ -0.0000369500000000, -0.0001042100000000, 0.0000005100000000 ] - [ -0.0000913000000000, 0.0001102600000000, 0.0000192500000000 ] - [ -0.0001857400000000, 0.0002247800000000, 0.0000948300000000 ] - [ 0.0015484100000000, 0.0012126200000000, -0.0007919300000000 ] - [ 0.0003168400000000, 0.0002204600000000, -0.0000154900000000 ] - [ 0.0002922400000000, -0.0000694700000000, 0.0000034100000000 ] - [ -0.0023121700000000, -0.0012256500000000, -0.0002945800000000 ] - [ -0.0002584000000000, 0.0000584500000000, -0.0000173700000000 ] - [ 0.0004055900000000, -0.0000767500000000, 0.0000456400000000 ] - [ -0.0055391700000000, 0.0038645900000000, -0.0102581000000000 ] - [ -0.0003409300000000, 0.0001542200000000, 0.0002388700000000 ] - [ -0.0003953500000000, -0.0000450800000000, -0.0003208100000000 ] - [ -0.0145982300000000, 0.0025118500000000, 0.0464122600000000 ] - [ 0.0004247700000000, -0.0002655600000000, 0.0003098500000000 ] - [ -0.0001697500000000, -0.0000927400000000, 0.0000567100000000 ] - [ -0.0002915000000000, 0.0001409000000000, -0.0002118500000000 ] - [ -0.0003409900000000, -0.0000303400000000, -0.0003668500000000 ] - [ -0.0002825600000000, 0.0001245900000000, 0.0002195100000000 ] - [ 0.0004700800000000, -0.0004215500000000, -0.0066746100000000 ] - [ 0.0005545800000000, -0.0003339600000000, -0.0003789000000000 ] - [ 0.0016034400000000, -0.0005761800000000, -0.0007669100000000 ] - [ 0.0004964900000000, -0.0001856900000000, -0.0001733800000000 ] - [ -0.0005890100000000, 0.0002164700000000, -0.0001027400000000 ] - [ 0.0013504900000000, -0.0020349800000000, -0.0007407800000000 ] - [ -0.0001727800000000, -0.0003034400000000, -0.0001314200000000 ] - [ -0.0003085800000000, -0.0001685600000000, 0.0000005900000000 ] - [ 0.0002310100000000, -0.0014585900000000, 0.0028650900000000 ] - [ 0.0001594700000000, 0.0000463900000000, -0.0000023700000000 ] - [ 0.0003279600000000, 0.0002032400000000, -0.0000148200000000 ] - [ 0.0003007100000000, -0.0004671200000000, 0.0001750200000000 ] - [ -0.0003316900000000, -0.0001519700000000, 0.0000159600000000 ] - [ 0.0000184600000000, -0.0006983100000000, -0.0023535200000000 ] - [ -0.0001227300000000, -0.0003628700000000, -0.0000328800000000 ] - [ -0.0000646100000000, 0.0000843300000000, 0.0002713300000000 ] - [ -0.0002285700000000, 0.0001355300000000, -0.0009030600000000 ] - [ -0.0012910100000000, 0.0007687800000000, 0.0029921800000000 ] - [ -0.0001904200000000, -0.0000627500000000, 0.0000602000000000 ] - [ -0.0001166000000000, -0.0000974900000000, 0.0000067100000000 ] - [ 0.0205727500000000, -0.0086266100000000, -0.0239639400000000 ] - [ -0.0002144900000000, 0.0007908400000000, -0.0008736400000000 ] - [ 0.0001771700000000, -0.0000437500000000, 0.0006352900000000 ] - [ 0.0002191000000000, 0.0000401500000000, -0.0000875100000000 ] - [ -0.0001627100000000, 0.0000587800000000, 0.0003445600000000 ] - [ -0.0001792200000000, -0.0001455400000000, -0.0001585100000000 ] - [ -0.0002756000000000, 0.0000309900000000, -0.0003973400000000 ] - [ -0.0001869500000000, -0.0001479700000000, 0.0001523300000000 ] - [ 0.0007863400000000, 0.0000666500000000, -0.0011232900000000 ] - [ 0.0002026100000000, 0.0000650900000000, 0.0000717700000000 ] - [ 0.0000234500000000, -0.0005232600000000, 0.0007582600000000 ] - [ 0.0004373500000000, 0.0011941700000000, 0.0008797500000000 ] - [ 0.0000311600000000, 0.0001328200000000, -0.0000343200000000 ] - [ 0.0000409900000000, -0.0003473200000000, 0.0000368200000000 ] - [ 0.0000444100000000, 0.0001604500000000, 0.0000269500000000 ] - [ -0.0000226900000000, -0.0003642200000000, -0.0000701100000000 ] - [ 0.0002761000000000, -0.0000066200000000, -0.0013643700000000 ] - [ -0.0013065800000000, 0.0007722500000000, -0.0016846600000000 ]- atom: 45 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006811200000000, -0.0007628600000000, 0.0000000000000000 ] - [ 0.0001690700000000, 0.0010772000000000, 0.0000000000000000 ] - [ -0.0006739900000000, 0.0008578200000000, 0.0000000000000000 ] - [ -0.0008731500000000, -0.0010526800000000, 0.0000000000000000 ] - [ -0.0002356800000000, -0.0007841100000000, 0.0000000000000000 ] - [ -0.0002299200000000, 0.0009991700000000, 0.0000000000000000 ] - [ 0.0000959500000000, -0.0000478400000000, 0.0000000000000000 ] - [ 0.0001396500000000, 0.0003986000000000, 0.0000000000000000 ] - [ 0.0000206500000000, 0.0001507400000000, -0.0001501600000000 ] - [ 0.0095758400000000, -0.0057183200000000, 0.0085666800000000 ] - [ 0.0000206500000000, 0.0001507400000000, 0.0001501600000000 ] - [ 0.0095758400000000, -0.0057183200000000, -0.0085666800000000 ] - [ 0.0053034800000000, 0.0010995600000000, 0.0000000000000000 ] - [ 0.0002256600000000, -0.0005302700000000, 0.0000000000000000 ] - [ 0.0058314400000000, 0.0051304800000000, 0.0000000000000000 ] - [ -0.0001990200000000, 0.0006562000000000, 0.0000000000000000 ] - [ 0.0008684900000000, 0.0008586300000000, 0.0000000000000000 ] - [ -0.0009610100000000, 0.0004186000000000, 0.0000000000000000 ] - [ -0.0003635900000000, 0.0000834100000000, -0.0002140200000000 ] - [ 0.0002111900000000, 0.0000991000000000, 0.0000000000000000 ] - [ -0.0000691000000000, -0.0000538400000000, 0.0000000000000000 ] - [ 0.0008604400000000, 0.0001808100000000, 0.0000000000000000 ] - [ 0.0000191300000000, 0.0002453600000000, 0.0000000000000000 ] - [ 0.0001674200000000, -0.0003004700000000, 0.0000000000000000 ] - [ 0.0464114400000000, 0.0229276700000000, 0.0000000000000000 ] - [ 0.0002484400000000, 0.0000356900000000, 0.0000000000000000 ] - [ -0.0001115100000000, 0.0006010400000000, 0.0000000000000000 ] - [ -0.0003368600000000, 0.0001956600000000, 0.0000000000000000 ] - [ 0.0003985500000000, 0.0000403200000000, 0.0002129900000000 ] - [ -0.0002446100000000, 0.0006500400000000, -0.0000127500000000 ] - [ -0.0003635900000000, 0.0000834100000000, 0.0002140200000000 ] - [ -0.0000468500000000, -0.0019857700000000, -0.0001913500000000 ] - [ 0.0000404100000000, 0.0000804400000000, 0.0000754000000000 ] - [ 0.0002873300000000, 0.0000274800000000, -0.0002066400000000 ] - [ -0.0010230900000000, 0.0009677100000000, 0.0001185400000000 ] - [ -0.0002167900000000, -0.0001896400000000, -0.0000570500000000 ] - [ -0.0010230900000000, 0.0009677100000000, -0.0001185400000000 ] - [ -0.0002167900000000, -0.0001896400000000, 0.0000570500000000 ] - [ 0.0000404100000000, 0.0000804400000000, -0.0000754000000000 ] - [ 0.0002873300000000, 0.0000274800000000, 0.0002066400000000 ] - [ -0.0002446100000000, 0.0006500400000000, 0.0000127500000000 ] - [ 0.0003985500000000, 0.0000403200000000, -0.0002129900000000 ] - [ -0.0000468500000000, -0.0019857700000000, 0.0001913500000000 ] - [ 0.0002299500000000, 0.0001277800000000, 0.0000000000000000 ] - [ -0.0837673400000000, -0.0109889800000000, 0.0000000000000000 ] - [ -0.0002718800000000, -0.0003138200000000, 0.0000000000000000 ] - [ 0.0009922000000000, -0.0055039200000000, 0.0000000000000000 ] - [ 0.0002847000000000, -0.0000704500000000, 0.0000000000000000 ] - [ 0.0004187700000000, 0.0002455300000000, 0.0000000000000000 ] - [ -0.0033303600000000, 0.0043517200000000, 0.0000000000000000 ] - [ -0.0003108300000000, -0.0003818000000000, 0.0000000000000000 ] - [ 0.0006137800000000, -0.0014186700000000, 0.0000000000000000 ] - [ -0.0008011800000000, 0.0000057600000000, 0.0000000000000000 ] - [ 0.0037803500000000, -0.0015459900000000, 0.0000000000000000 ] - [ 0.0001426600000000, 0.0000315100000000, 0.0000000000000000 ] - [ 0.0005378100000000, -0.0006398700000000, 0.0000000000000000 ] - [ 0.0012432500000000, -0.0061731400000000, 0.0000000000000000 ] - [ 0.0002275100000000, -0.0001139700000000, 0.0000000000000000 ] - [ 0.0003662600000000, -0.0000845200000000, 0.0000000000000000 ] - [ 0.0001993900000000, -0.0001062600000000, 0.0000000000000000 ] - [ -0.0007845200000000, 0.0014743500000000, -0.0011817500000000 ] - [ 0.0001719400000000, -0.0000171500000000, -0.0001888800000000 ] - [ 0.0045095800000000, -0.0015606000000000, 0.0021162600000000 ] - [ -0.0002124600000000, -0.0001603900000000, -0.0002142800000000 ] - [ 0.0045095800000000, -0.0015606000000000, -0.0021162600000000 ] - [ -0.0002124600000000, -0.0001603900000000, 0.0002142800000000 ] - [ -0.0007845200000000, 0.0014743500000000, 0.0011817500000000 ] - [ 0.0001719400000000, -0.0000171500000000, 0.0001888800000000 ] - [ -0.0000310300000000, -0.0004326500000000, -0.0000381500000000 ] - [ -0.0000361500000000, 0.0000369500000000, 0.0000559800000000 ] - [ 0.0002395100000000, -0.0003178400000000, 0.0001428600000000 ] - [ -0.0013335700000000, 0.0020356900000000, 0.0029959400000000 ] - [ 0.0002395100000000, -0.0003178400000000, -0.0001428600000000 ] - [ -0.0013335700000000, 0.0020356900000000, -0.0029959400000000 ] - [ -0.0000310300000000, -0.0004326500000000, 0.0000381500000000 ] - [ -0.0000361500000000, 0.0000369500000000, -0.0000559800000000 ]- atom: 45 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006463500000000, -0.0008300200000000, 0.0000000000000000 ] - [ 0.0011631600000000, 0.0005235800000000, 0.0000000000000000 ] - [ -0.0006534800000000, 0.0007320500000000, 0.0000000000000000 ] - [ -0.0004612600000000, -0.0005406200000000, 0.0000000000000000 ] - [ -0.0000940700000000, 0.0013068400000000, 0.0000000000000000 ] - [ -0.0000811700000000, -0.0015235400000000, 0.0000000000000000 ] - [ 0.0002311300000000, -0.0004841700000000, 0.0000000000000000 ] - [ 0.0001870300000000, 0.0001236100000000, 0.0000000000000000 ] - [ -0.0000208200000000, -0.0001537500000000, -0.0001275600000000 ] - [ -0.0095558800000000, 0.0056053900000000, -0.0081693600000000 ] - [ -0.0000208200000000, -0.0001537500000000, 0.0001275600000000 ] - [ -0.0095558800000000, 0.0056053900000000, 0.0081693600000000 ] - [ -0.0051851800000000, 0.0000013100000000, 0.0000000000000000 ] - [ 0.0002115700000000, -0.0006519600000000, 0.0000000000000000 ] - [ -0.0064268500000000, -0.0064280400000000, 0.0000000000000000 ] - [ -0.0002384700000000, 0.0005235300000000, 0.0000000000000000 ] - [ -0.0013967500000000, -0.0009400100000000, 0.0000000000000000 ] - [ 0.0004331000000000, -0.0003616300000000, 0.0000000000000000 ] - [ -0.0003381300000000, 0.0000586900000000, -0.0002694700000000 ] - [ 0.0003199000000000, -0.0000347300000000, 0.0000000000000000 ] - [ 0.0000191900000000, -0.0002793500000000, 0.0000000000000000 ] - [ -0.0009099800000000, 0.0001519900000000, 0.0000000000000000 ] - [ 0.0000325500000000, 0.0000838600000000, 0.0000000000000000 ] - [ -0.0001315200000000, -0.0000317700000000, 0.0000000000000000 ] - [ -0.0441609400000000, -0.0214693000000000, 0.0000000000000000 ] - [ 0.0003563300000000, -0.0002531000000000, 0.0000000000000000 ] - [ -0.0004946400000000, -0.0008171500000000, 0.0000000000000000 ] - [ -0.0002663700000000, 0.0000180900000000, 0.0000000000000000 ] - [ 0.0003021300000000, -0.0001867200000000, 0.0002718300000000 ] - [ 0.0009649700000000, -0.0005351400000000, -0.0004788300000000 ] - [ -0.0003381300000000, 0.0000586900000000, 0.0002694700000000 ] - [ -0.0006703100000000, 0.0018693100000000, -0.0002905500000000 ] - [ 0.0005510800000000, 0.0000596800000000, 0.0003527200000000 ] - [ 0.0002938300000000, -0.0001684400000000, -0.0002136200000000 ] - [ 0.0004521000000000, -0.0011220200000000, 0.0003143100000000 ] - [ -0.0003627100000000, 0.0003262400000000, -0.0003632300000000 ] - [ 0.0004521000000000, -0.0011220200000000, -0.0003143100000000 ] - [ -0.0003627100000000, 0.0003262400000000, 0.0003632300000000 ] - [ 0.0005510800000000, 0.0000596800000000, -0.0003527200000000 ] - [ 0.0002938300000000, -0.0001684400000000, 0.0002136200000000 ] - [ 0.0009649700000000, -0.0005351400000000, 0.0004788300000000 ] - [ 0.0003021300000000, -0.0001867200000000, -0.0002718300000000 ] - [ -0.0006703100000000, 0.0018693100000000, 0.0002905500000000 ] - [ 0.0003012300000000, -0.0001957500000000, 0.0000000000000000 ] - [ 0.0818724600000000, 0.0103324100000000, 0.0000000000000000 ] - [ -0.0003490700000000, 0.0001076600000000, 0.0000000000000000 ] - [ -0.0003521000000000, 0.0053374100000000, 0.0000000000000000 ] - [ 0.0003385500000000, 0.0002846800000000, 0.0000000000000000 ] - [ 0.0002309900000000, 0.0003150100000000, 0.0000000000000000 ] - [ 0.0039702400000000, -0.0049518000000000, 0.0000000000000000 ] - [ -0.0003396100000000, -0.0001750200000000, 0.0000000000000000 ] - [ -0.0012689800000000, 0.0020377000000000, 0.0000000000000000 ] - [ 0.0005106300000000, -0.0004433600000000, 0.0000000000000000 ] - [ -0.0040468700000000, 0.0019574300000000, 0.0000000000000000 ] - [ 0.0001492100000000, 0.0004155500000000, 0.0000000000000000 ] - [ -0.0002663600000000, 0.0002029600000000, 0.0000000000000000 ] - [ -0.0015526200000000, 0.0062947500000000, 0.0000000000000000 ] - [ -0.0005191100000000, 0.0000703900000000, 0.0000000000000000 ] - [ -0.0000816300000000, 0.0000369200000000, 0.0000000000000000 ] - [ 0.0000881000000000, 0.0001556800000000, 0.0000000000000000 ] - [ 0.0011530700000000, -0.0016546700000000, 0.0016371000000000 ] - [ 0.0001812300000000, 0.0001751200000000, -0.0002441900000000 ] - [ -0.0048629200000000, 0.0017207900000000, -0.0016462100000000 ] - [ -0.0001397600000000, 0.0000070900000000, -0.0002182000000000 ] - [ -0.0048629200000000, 0.0017207900000000, 0.0016462100000000 ] - [ -0.0001397600000000, 0.0000070900000000, 0.0002182000000000 ] - [ 0.0011530700000000, -0.0016546700000000, -0.0016371000000000 ] - [ 0.0001812300000000, 0.0001751200000000, 0.0002441900000000 ] - [ -0.0000260500000000, -0.0000869400000000, -0.0000556000000000 ] - [ -0.0000172700000000, 0.0004886800000000, 0.0000413300000000 ] - [ -0.0001815200000000, 0.0008437200000000, -0.0002341400000000 ] - [ 0.0013845900000000, -0.0025480800000000, -0.0028930700000000 ] - [ -0.0001815200000000, 0.0008437200000000, 0.0002341400000000 ] - [ 0.0013845900000000, -0.0025480800000000, 0.0028930700000000 ] - [ -0.0000260500000000, -0.0000869400000000, 0.0000556000000000 ] - [ -0.0000172700000000, 0.0004886800000000, -0.0000413300000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006210800000000, -0.0012255900000000, 0.0000000000000000 ] - [ 0.0000314000000000, 0.0020856000000000, 0.0000000000000000 ] - [ -0.0007106500000000, 0.0003588600000000, 0.0000000000000000 ] - [ -0.0008471200000000, 0.0003733900000000, 0.0000000000000000 ] - [ 0.0000202900000000, -0.0006291400000000, 0.0000000000000000 ] - [ -0.0005638100000000, -0.0005884700000000, 0.0000000000000000 ] - [ 0.0003625700000000, -0.0012275000000000, 0.0000000000000000 ] - [ 0.0001809300000000, -0.0007401800000000, 0.0000000000000000 ] - [ -0.0001236900000000, -0.0008669600000000, -0.0001437200000000 ] - [ -0.0058785100000000, 0.0165589700000000, -0.0141837400000000 ] - [ -0.0001236900000000, -0.0008669600000000, 0.0001437200000000 ] - [ -0.0058785100000000, 0.0165589700000000, 0.0141837400000000 ] - [ -0.0039338700000000, 0.0017099200000000, 0.0000000000000000 ] - [ 0.0000737100000000, -0.0009428700000000, 0.0000000000000000 ] - [ 0.0024900300000000, 0.0020936000000000, 0.0000000000000000 ] - [ -0.0003332100000000, 0.0002393800000000, 0.0000000000000000 ] - [ 0.0002983900000000, -0.0009055500000000, 0.0000000000000000 ] - [ -0.0001427900000000, -0.0009238900000000, 0.0000000000000000 ] - [ -0.0006095100000000, -0.0005933900000000, -0.0000384200000000 ] - [ 0.0000924000000000, -0.0006787900000000, 0.0000000000000000 ] - [ 0.0000645300000000, -0.0007295800000000, 0.0000000000000000 ] - [ -0.0003451200000000, 0.0016467200000000, 0.0000000000000000 ] - [ 0.0000709500000000, -0.0003504000000000, 0.0000000000000000 ] - [ -0.0003819700000000, -0.0005572800000000, 0.0000000000000000 ] - [ 0.0259924500000000, 0.0253085800000000, 0.0000000000000000 ] - [ 0.0004532400000000, -0.0006274600000000, 0.0000000000000000 ] - [ 0.0006960300000000, -0.0011781300000000, 0.0000000000000000 ] - [ -0.0001391500000000, -0.0004455300000000, 0.0000000000000000 ] - [ 0.0000947300000000, -0.0007393000000000, 0.0004390800000000 ] - [ 0.0022194100000000, -0.0020292900000000, 0.0005903500000000 ] - [ -0.0006095100000000, -0.0005933900000000, 0.0000384200000000 ] - [ -0.0018920400000000, 0.0031351100000000, -0.0015909100000000 ] - [ 0.0006526100000000, -0.0003770800000000, 0.0006189500000000 ] - [ 0.0002864600000000, -0.0005970300000000, -0.0001477000000000 ] - [ -0.0002566600000000, 0.0000548200000000, -0.0011306800000000 ] - [ -0.0002651300000000, -0.0005742400000000, -0.0002679200000000 ] - [ -0.0002566600000000, 0.0000548200000000, 0.0011306800000000 ] - [ -0.0002651300000000, -0.0005742400000000, 0.0002679200000000 ] - [ 0.0006526100000000, -0.0003770800000000, -0.0006189500000000 ] - [ 0.0002864600000000, -0.0005970300000000, 0.0001477000000000 ] - [ 0.0022194100000000, -0.0020292900000000, -0.0005903500000000 ] - [ 0.0000947300000000, -0.0007393000000000, -0.0004390800000000 ] - [ -0.0018920400000000, 0.0031351100000000, 0.0015909100000000 ] - [ 0.0004859300000000, -0.0009640200000000, 0.0000000000000000 ] - [ -0.0115755500000000, -0.0739019500000000, 0.0000000000000000 ] - [ -0.0001000800000000, 0.0010397900000000, 0.0000000000000000 ] - [ -0.0050677800000000, 0.0119219800000000, 0.0000000000000000 ] - [ 0.0004889100000000, 0.0012566100000000, 0.0000000000000000 ] - [ 0.0001813600000000, 0.0008220400000000, 0.0000000000000000 ] - [ 0.0041439700000000, -0.0090237100000000, 0.0000000000000000 ] - [ -0.0004449300000000, 0.0002950900000000, 0.0000000000000000 ] - [ -0.0010430900000000, 0.0043642200000000, 0.0000000000000000 ] - [ 0.0000268800000000, 0.0009215400000000, 0.0000000000000000 ] - [ -0.0022776400000000, 0.0029211900000000, 0.0000000000000000 ] - [ 0.0003434900000000, 0.0013573500000000, 0.0000000000000000 ] - [ -0.0017759400000000, 0.0008567600000000, 0.0000000000000000 ] - [ -0.0015629400000000, 0.0012066300000000, 0.0000000000000000 ] - [ -0.0004674900000000, 0.0008774800000000, 0.0000000000000000 ] - [ 0.0003615700000000, 0.0006142400000000, 0.0000000000000000 ] - [ -0.0002191800000000, 0.0007415800000000, 0.0000000000000000 ] - [ 0.0025360900000000, 0.0007235900000000, -0.0008092100000000 ] - [ 0.0002209200000000, 0.0006919600000000, -0.0002830700000000 ] - [ 0.0001248000000000, -0.0054035800000000, 0.0008087800000000 ] - [ -0.0001322900000000, 0.0005402600000000, -0.0001231400000000 ] - [ 0.0001248000000000, -0.0054035800000000, -0.0008087800000000 ] - [ -0.0001322900000000, 0.0005402600000000, 0.0001231400000000 ] - [ 0.0025360900000000, 0.0007235900000000, 0.0008092100000000 ] - [ 0.0002209200000000, 0.0006919600000000, 0.0002830700000000 ] - [ -0.0001111600000000, 0.0007974800000000, -0.0000330600000000 ] - [ 0.0001335600000000, 0.0014302000000000, 0.0000630300000000 ] - [ -0.0000349800000000, 0.0014475400000000, 0.0001416800000000 ] - [ 0.0002614700000000, 0.0021147000000000, 0.0015156000000000 ] - [ -0.0000349800000000, 0.0014475400000000, -0.0001416800000000 ] - [ 0.0002614700000000, 0.0021147000000000, -0.0015156000000000 ] - [ -0.0001111600000000, 0.0007974800000000, 0.0000330600000000 ] - [ 0.0001335600000000, 0.0014302000000000, -0.0000630300000000 ]- atom: 45 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007065600000000, -0.0003669300000000, 0.0000000000000000 ] - [ 0.0013077500000000, -0.0004776000000000, 0.0000000000000000 ] - [ -0.0006171600000000, 0.0012323800000000, 0.0000000000000000 ] - [ -0.0004908300000000, -0.0019690000000000, 0.0000000000000000 ] - [ -0.0003476100000000, 0.0011570200000000, 0.0000000000000000 ] - [ 0.0002381600000000, 0.0000695600000000, 0.0000000000000000 ] - [ -0.0000359600000000, 0.0006976800000000, 0.0000000000000000 ] - [ 0.0001441300000000, 0.0012650200000000, 0.0000000000000000 ] - [ 0.0001235000000000, 0.0008655100000000, -0.0001347900000000 ] - [ 0.0060945000000000, -0.0170363600000000, 0.0150968600000000 ] - [ 0.0001235000000000, 0.0008655100000000, 0.0001347900000000 ] - [ 0.0060945000000000, -0.0170363600000000, -0.0150968600000000 ] - [ 0.0044320200000000, -0.0005792100000000, 0.0000000000000000 ] - [ 0.0003639500000000, -0.0002387400000000, 0.0000000000000000 ] - [ -0.0029854500000000, -0.0032637300000000, 0.0000000000000000 ] - [ -0.0001049000000000, 0.0009417500000000, 0.0000000000000000 ] - [ -0.0008211000000000, 0.0008321600000000, 0.0000000000000000 ] - [ -0.0003866700000000, 0.0009836600000000, 0.0000000000000000 ] - [ -0.0000926000000000, 0.0007362700000000, -0.0004461100000000 ] - [ 0.0004381800000000, 0.0007454300000000, 0.0000000000000000 ] - [ -0.0001148200000000, 0.0003972400000000, 0.0000000000000000 ] - [ 0.0002969600000000, -0.0013192000000000, 0.0000000000000000 ] - [ -0.0000199600000000, 0.0006807800000000, 0.0000000000000000 ] - [ 0.0004261100000000, 0.0002299600000000, 0.0000000000000000 ] - [ -0.0246087100000000, -0.0247141300000000, 0.0000000000000000 ] - [ 0.0001511100000000, 0.0004111900000000, 0.0000000000000000 ] - [ -0.0013136500000000, 0.0009678800000000, 0.0000000000000000 ] - [ -0.0004647300000000, 0.0006606900000000, 0.0000000000000000 ] - [ 0.0006064000000000, 0.0005942500000000, 0.0000458800000000 ] - [ -0.0015073400000000, 0.0021539900000000, -0.0010886900000000 ] - [ -0.0000926000000000, 0.0007362700000000, 0.0004461100000000 ] - [ 0.0011506400000000, -0.0032587000000000, 0.0011517200000000 ] - [ -0.0000658000000000, 0.0005169000000000, -0.0001966900000000 ] - [ 0.0002943900000000, 0.0004570500000000, -0.0002731300000000 ] - [ -0.0003172200000000, -0.0001997800000000, 0.0015403700000000 ] - [ -0.0003152000000000, 0.0007120500000000, -0.0001527000000000 ] - [ -0.0003172200000000, -0.0001997800000000, -0.0015403700000000 ] - [ -0.0003152000000000, 0.0007120500000000, 0.0001527000000000 ] - [ -0.0000658000000000, 0.0005169000000000, 0.0001966900000000 ] - [ 0.0002943900000000, 0.0004570500000000, 0.0002731300000000 ] - [ -0.0015073400000000, 0.0021539900000000, 0.0010886900000000 ] - [ 0.0006064000000000, 0.0005942500000000, -0.0000458800000000 ] - [ 0.0011506400000000, -0.0032587000000000, -0.0011517200000000 ] - [ 0.0000434900000000, 0.0008997100000000, 0.0000000000000000 ] - [ 0.0097252400000000, 0.0747917200000000, 0.0000000000000000 ] - [ -0.0005219100000000, -0.0012477300000000, 0.0000000000000000 ] - [ 0.0057742100000000, -0.0122656100000000, 0.0000000000000000 ] - [ 0.0001342400000000, -0.0010440200000000, 0.0000000000000000 ] - [ 0.0004688900000000, -0.0002616400000000, 0.0000000000000000 ] - [ -0.0034859000000000, 0.0084573300000000, 0.0000000000000000 ] - [ -0.0002058100000000, -0.0008534900000000, 0.0000000000000000 ] - [ 0.0003943500000000, -0.0037795700000000, 0.0000000000000000 ] - [ -0.0003163600000000, -0.0013616500000000, 0.0000000000000000 ] - [ 0.0020192300000000, -0.0024782800000000, 0.0000000000000000 ] - [ -0.0000524600000000, -0.0009118600000000, 0.0000000000000000 ] - [ 0.0020584200000000, -0.0012958600000000, 0.0000000000000000 ] - [ 0.0012351300000000, -0.0011339000000000, 0.0000000000000000 ] - [ 0.0001769900000000, -0.0009217900000000, 0.0000000000000000 ] - [ -0.0000806700000000, -0.0006601100000000, 0.0000000000000000 ] - [ 0.0005077300000000, -0.0006938900000000, 0.0000000000000000 ] - [ -0.0021884300000000, -0.0008946000000000, 0.0012537800000000 ] - [ 0.0001318700000000, -0.0005351000000000, -0.0001498800000000 ] - [ -0.0004860200000000, 0.0055626700000000, -0.0003683500000000 ] - [ -0.0002203600000000, -0.0006942800000000, -0.0003092900000000 ] - [ -0.0004860200000000, 0.0055626700000000, 0.0003683500000000 ] - [ -0.0002203600000000, -0.0006942800000000, 0.0003092900000000 ] - [ -0.0021884300000000, -0.0008946000000000, -0.0012537800000000 ] - [ 0.0001318700000000, -0.0005351000000000, 0.0001498800000000 ] - [ 0.0000542000000000, -0.0013181800000000, -0.0000605500000000 ] - [ -0.0001888500000000, -0.0009051500000000, 0.0000321900000000 ] - [ 0.0000928800000000, -0.0009207000000000, -0.0002318000000000 ] - [ -0.0002006500000000, -0.0026274600000000, -0.0014138000000000 ] - [ 0.0000928800000000, -0.0009207000000000, 0.0002318000000000 ] - [ -0.0002006500000000, -0.0026274600000000, 0.0014138000000000 ] - [ 0.0000542000000000, -0.0013181800000000, 0.0000605500000000 ] - [ -0.0001888500000000, -0.0009051500000000, -0.0000321900000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0006636700000000, -0.0007981700000000, 0.0000186600000000 ] - [ 0.0006683800000000, 0.0008021500000000, 0.0004219300000000 ] - [ -0.0006642000000000, 0.0007930600000000, -0.0000069500000000 ] - [ -0.0006645500000000, -0.0007914800000000, -0.0008739000000000 ] - [ -0.0001600900000000, 0.0002610600000000, 0.0003392600000000 ] - [ -0.0001613800000000, -0.0002796700000000, -0.0011394000000000 ] - [ 0.0001643300000000, -0.0002694600000000, 0.0000325500000000 ] - [ 0.0001636400000000, 0.0002589000000000, -0.0000186700000000 ] - [ 0.0000033400000000, -0.0000132800000000, -0.0001431800000000 ] - [ 0.0076667500000000, -0.0116663500000000, 0.0204693500000000 ] - [ -0.0000046600000000, 0.0000031300000000, 0.0001345400000000 ] - [ -0.0073699300000000, 0.0110142600000000, 0.0195687000000000 ] - [ 0.0002770400000000, 0.0006006700000000, -0.0005076900000000 ] - [ 0.0002179400000000, -0.0005923400000000, -0.0000033300000000 ] - [ -0.0002242500000000, -0.0005827500000000, 0.0020068900000000 ] - [ -0.0002193700000000, 0.0005885200000000, 0.0000019700000000 ] - [ -0.0002672400000000, -0.0000336000000000, -0.0002390500000000 ] - [ -0.0002633700000000, 0.0000281600000000, -0.0001483700000000 ] - [ -0.0002794400000000, 0.0000767800000000, -0.0002976100000000 ] - [ 0.0002640200000000, 0.0000280700000000, -0.0000542800000000 ] - [ -0.0000256100000000, -0.0001684100000000, -0.0000515700000000 ] - [ -0.0000373200000000, 0.0001696700000000, -0.0010209100000000 ] - [ 0.0000259800000000, 0.0001625400000000, 0.0000024200000000 ] - [ 0.0000173000000000, -0.0001701000000000, -0.0002773600000000 ] - [ 0.0002472900000000, 0.0000644000000000, 0.0054672500000000 ] - [ 0.0003033300000000, -0.0001113100000000, 0.0000315000000000 ] - [ -0.0003043700000000, -0.0001066600000000, 0.0012650100000000 ] - [ -0.0003011400000000, 0.0001047800000000, -0.0000009300000000 ] - [ 0.0003557500000000, -0.0000670200000000, 0.0002374700000000 ] - [ 0.0005137300000000, -0.0003524200000000, -0.0006065000000000 ] - [ -0.0004242900000000, 0.0000597100000000, 0.0001850000000000 ] - [ 0.0007032600000000, 0.0016597800000000, -0.0063270000000000 ] - [ 0.0001748100000000, -0.0000737600000000, 0.0003434800000000 ] - [ 0.0002949900000000, -0.0000268500000000, -0.0002095100000000 ] - [ -0.0010459600000000, -0.0002308900000000, -0.0026582800000000 ] - [ -0.0003536800000000, 0.0001341100000000, -0.0002110000000000 ] - [ 0.0004688100000000, 0.0000969300000000, -0.0030392200000000 ] - [ -0.0002293300000000, -0.0000012100000000, 0.0002120500000000 ] - [ 0.0004146400000000, 0.0002071700000000, -0.0000840200000000 ] - [ 0.0002856000000000, -0.0001175600000000, 0.0002104300000000 ] - [ 0.0002024100000000, 0.0004732400000000, -0.0000998200000000 ] - [ 0.0003425300000000, -0.0000841800000000, -0.0002490000000000 ] - [ -0.0014400400000000, -0.0017156200000000, -0.0059638300000000 ] - [ 0.0002661900000000, -0.0000376100000000, 0.0000174000000000 ] - [ -0.0005728400000000, 0.0007251400000000, -0.0459431000000000 ] - [ -0.0003108000000000, -0.0000981500000000, 0.0000205800000000 ] - [ 0.0003115500000000, -0.0001118700000000, -0.0154486300000000 ] - [ 0.0003123800000000, 0.0001117900000000, 0.0000073700000000 ] - [ 0.0003246000000000, 0.0002830900000000, -0.0000024900000000 ] - [ 0.0003576900000000, -0.0003222400000000, 0.0118701100000000 ] - [ -0.0003259000000000, -0.0002763700000000, -0.0000100300000000 ] - [ -0.0003292400000000, 0.0003148800000000, 0.0067691900000000 ] - [ -0.0001427600000000, -0.0002170400000000, -0.0001986300000000 ] - [ -0.0001917500000000, 0.0002633500000000, 0.0139623600000000 ] - [ 0.0001469400000000, 0.0002280800000000, -0.0000045600000000 ] - [ 0.0001361200000000, -0.0002161800000000, -0.0001877700000000 ] - [ -0.0001276400000000, 0.0000094200000000, 0.0019141300000000 ] - [ -0.0001454000000000, -0.0000189400000000, 0.0000678300000000 ] - [ 0.0001404600000000, -0.0000180100000000, 0.0002686200000000 ] - [ 0.0001422400000000, 0.0000273100000000, -0.0000057400000000 ] - [ -0.0020026200000000, -0.0017088600000000, 0.0005608900000000 ] - [ 0.0001747200000000, 0.0000861700000000, -0.0002171700000000 ] - [ 0.0019057900000000, 0.0014554300000000, 0.0004245000000000 ] - [ -0.0001739700000000, -0.0000658000000000, -0.0002143300000000 ] - [ -0.0022777300000000, -0.0013263500000000, 0.0000235800000000 ] - [ -0.0001779400000000, -0.0000826300000000, 0.0002173700000000 ] - [ 0.0023657300000000, 0.0015406300000000, 0.0001350900000000 ] - [ 0.0001781300000000, 0.0000765400000000, 0.0002163600000000 ] - [ -0.0000279300000000, -0.0002623100000000, -0.0000466600000000 ] - [ 0.0000006600000000, 0.0003778200000000, 0.0000196600000000 ] - [ -0.0000301800000000, -0.0000453800000000, -0.0000776400000000 ] - [ 0.0016274100000000, 0.0006344400000000, -0.0003890200000000 ] - [ 0.0000837000000000, 0.0005837500000000, 0.0000202900000000 ] - [ -0.0015513900000000, -0.0011542600000000, -0.0004585900000000 ] - [ -0.0000305300000000, -0.0002485700000000, 0.0000474400000000 ] - [ -0.0000550200000000, 0.0001587300000000, -0.0000754900000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0022794300000000, -0.0016499600000000, 0.0000000000000000 ] - [ 0.0006610500000000, 0.0008517300000000, 0.0000000000000000 ] - [ -0.0010400800000000, -0.0010310800000000, 0.0000000000000000 ] - [ -0.0006735100000000, -0.0007533600000000, 0.0000000000000000 ] - [ 0.0000504400000000, -0.0008985900000000, 0.0000000000000000 ] - [ -0.0002382700000000, 0.0001868100000000, 0.0000000000000000 ] - [ 0.0001630500000000, -0.0001439600000000, 0.0000000000000000 ] - [ 0.0001707500000000, 0.0003493600000000, 0.0000000000000000 ] - [ 0.0010017400000000, 0.0003155700000000, -0.0005648000000000 ] - [ -0.0000132100000000, 0.0000907600000000, 0.0001340100000000 ] - [ 0.0010017400000000, 0.0003155700000000, 0.0005648000000000 ] - [ -0.0000132100000000, 0.0000907600000000, -0.0001340100000000 ] - [ 0.0002673300000000, 0.0006387100000000, 0.0000000000000000 ] - [ -0.0001489500000000, -0.0012048300000000, 0.0000000000000000 ] - [ -0.0002711200000000, -0.0005126300000000, 0.0000000000000000 ] - [ -0.0009906400000000, 0.0005085600000000, 0.0000000000000000 ] - [ -0.0002014700000000, 0.0007480100000000, 0.0000000000000000 ] - [ -0.0006624400000000, -0.0003543700000000, 0.0000000000000000 ] - [ 0.0145904500000000, 0.0135498500000000, 0.0174647600000000 ] - [ 0.0002949700000000, 0.0001374400000000, 0.0000000000000000 ] - [ 0.0395057500000000, -0.0293903300000000, 0.0000000000000000 ] - [ -0.0000297900000000, 0.0001753000000000, 0.0000000000000000 ] - [ 0.0000854500000000, 0.0002118500000000, 0.0000000000000000 ] - [ 0.0000293700000000, -0.0001048100000000, 0.0000000000000000 ] - [ 0.0002561400000000, 0.0001544200000000, 0.0000000000000000 ] - [ 0.0016035400000000, -0.0000589500000000, 0.0000000000000000 ] - [ -0.0002873000000000, -0.0000408200000000, 0.0000000000000000 ] - [ -0.0002993500000000, -0.0000670800000000, 0.0000000000000000 ] - [ 0.0001969900000000, 0.0001729000000000, 0.0003376200000000 ] - [ 0.0003196400000000, 0.0001451000000000, -0.0002672100000000 ] - [ 0.0145904500000000, 0.0135498500000000, -0.0174647600000000 ] - [ -0.0004053800000000, -0.0000021600000000, -0.0002163100000000 ] - [ 0.0002928600000000, 0.0001317300000000, 0.0002082700000000 ] - [ 0.0002729400000000, 0.0000421300000000, -0.0002355700000000 ] - [ -0.0001401900000000, 0.0001463900000000, 0.0002029100000000 ] - [ -0.0008115200000000, -0.0001950400000000, -0.0005437300000000 ] - [ -0.0001401900000000, 0.0001463900000000, -0.0002029100000000 ] - [ -0.0008115200000000, -0.0001950400000000, 0.0005437300000000 ] - [ 0.0002928600000000, 0.0001317300000000, -0.0002082700000000 ] - [ 0.0002729400000000, 0.0000421300000000, 0.0002355700000000 ] - [ 0.0003196400000000, 0.0001451000000000, 0.0002672100000000 ] - [ 0.0001969900000000, 0.0001729000000000, -0.0003376200000000 ] - [ -0.0004053800000000, -0.0000021600000000, 0.0002163100000000 ] - [ 0.0002425100000000, 0.0000423400000000, 0.0000000000000000 ] - [ -0.0002175700000000, -0.0000378200000000, 0.0000000000000000 ] - [ -0.0039672600000000, -0.0039204100000000, 0.0000000000000000 ] - [ 0.0003251700000000, -0.0002234200000000, 0.0000000000000000 ] - [ 0.0012442800000000, 0.0008103100000000, 0.0000000000000000 ] - [ -0.0851046100000000, -0.0020227200000000, 0.0000000000000000 ] - [ 0.0003476100000000, -0.0003688000000000, 0.0000000000000000 ] - [ -0.0003522400000000, 0.0003302200000000, 0.0000000000000000 ] - [ -0.0003320800000000, 0.0002153100000000, 0.0000000000000000 ] - [ 0.0091428000000000, 0.0062018300000000, 0.0000000000000000 ] - [ -0.0001757300000000, -0.0001117400000000, 0.0000000000000000 ] - [ 0.0001155200000000, -0.0000791100000000, 0.0000000000000000 ] - [ 0.0001769500000000, -0.0003448500000000, 0.0000000000000000 ] - [ -0.0006202600000000, -0.0000851400000000, 0.0000000000000000 ] - [ 0.0023751000000000, 0.0022635000000000, 0.0000000000000000 ] - [ 0.0000962000000000, -0.0001280700000000, 0.0000000000000000 ] - [ 0.0002179900000000, 0.0000696400000000, 0.0000000000000000 ] - [ 0.0001879200000000, -0.0001504700000000, 0.0002376000000000 ] - [ -0.0000679400000000, -0.0005270600000000, -0.0010254000000000 ] - [ -0.0001962500000000, -0.0000004100000000, 0.0002397600000000 ] - [ 0.0046602600000000, 0.0028432400000000, 0.0035713800000000 ] - [ -0.0001962500000000, -0.0000004100000000, -0.0002397600000000 ] - [ 0.0046602600000000, 0.0028432400000000, -0.0035713800000000 ] - [ 0.0001879200000000, -0.0001504700000000, -0.0002376000000000 ] - [ -0.0000679400000000, -0.0005270600000000, 0.0010254000000000 ] - [ 0.0000096500000000, -0.0003974800000000, -0.0001168100000000 ] - [ -0.0000385500000000, 0.0001280100000000, 0.0000459000000000 ] - [ -0.0022165500000000, -0.0012637400000000, 0.0019523200000000 ] - [ 0.0003377900000000, -0.0002105600000000, -0.0000024300000000 ] - [ -0.0022165500000000, -0.0012637400000000, -0.0019523200000000 ] - [ 0.0003377900000000, -0.0002105600000000, 0.0000024300000000 ] - [ 0.0000096500000000, -0.0003974800000000, 0.0001168100000000 ] - [ -0.0000385500000000, 0.0001280100000000, -0.0000459000000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0009813200000000, 0.0000666700000000, 0.0000000000000000 ] - [ 0.0006662600000000, 0.0007390100000000, 0.0000000000000000 ] - [ -0.0003709200000000, 0.0026541500000000, 0.0000000000000000 ] - [ -0.0006539100000000, -0.0008390200000000, 0.0000000000000000 ] - [ -0.0003717700000000, 0.0014251700000000, 0.0000000000000000 ] - [ -0.0000919300000000, -0.0007162600000000, 0.0000000000000000 ] - [ 0.0001638600000000, -0.0003874900000000, 0.0000000000000000 ] - [ 0.0001546400000000, 0.0001786300000000, 0.0000000000000000 ] - [ -0.0009958100000000, -0.0003056500000000, 0.0003023400000000 ] - [ 0.0000133300000000, -0.0000923400000000, 0.0001437200000000 ] - [ -0.0009958100000000, -0.0003056500000000, -0.0003023400000000 ] - [ 0.0000133300000000, -0.0000923400000000, -0.0001437200000000 ] - [ 0.0001698400000000, 0.0005416300000000, 0.0000000000000000 ] - [ 0.0005849900000000, 0.0000186800000000, 0.0000000000000000 ] - [ -0.0001661300000000, -0.0006693100000000, 0.0000000000000000 ] - [ 0.0005457400000000, 0.0006742100000000, 0.0000000000000000 ] - [ -0.0003388400000000, -0.0008109100000000, 0.0000000000000000 ] - [ 0.0001396700000000, 0.0004111700000000, 0.0000000000000000 ] - [ -0.0153985200000000, -0.0137000000000000, -0.0184128600000000 ] - [ 0.0002349900000000, -0.0000738800000000, 0.0000000000000000 ] - [ -0.0381223600000000, 0.0278379300000000, 0.0000000000000000 ] - [ -0.0000219200000000, 0.0001546700000000, 0.0000000000000000 ] - [ -0.0000406600000000, 0.0001202300000000, 0.0000000000000000 ] - [ 0.0000217800000000, -0.0002270200000000, 0.0000000000000000 ] - [ 0.0003478100000000, 0.0000607900000000, 0.0000000000000000 ] - [ -0.0009969900000000, -0.0001580400000000, 0.0000000000000000 ] - [ -0.0003170700000000, -0.0001758900000000, 0.0000000000000000 ] - [ -0.0003099700000000, 0.0002849400000000, 0.0000000000000000 ] - [ 0.0005091600000000, -0.0003152700000000, 0.0001428200000000 ] - [ 0.0003819500000000, -0.0000022700000000, -0.0002167000000000 ] - [ -0.0153985200000000, -0.0137000000000000, 0.0184128600000000 ] - [ -0.0002959000000000, -0.0001426200000000, -0.0002679900000000 ] - [ 0.0002879800000000, 0.0000064700000000, 0.0002130700000000 ] - [ 0.0003098200000000, -0.0001829600000000, -0.0001871900000000 ] - [ -0.0004400700000000, -0.0002836400000000, 0.0002177000000000 ] - [ 0.0001948800000000, 0.0003302000000000, 0.0001376500000000 ] - [ -0.0004400700000000, -0.0002836400000000, -0.0002177000000000 ] - [ 0.0001948800000000, 0.0003302000000000, -0.0001376500000000 ] - [ 0.0002879800000000, 0.0000064700000000, -0.0002130700000000 ] - [ 0.0003098200000000, -0.0001829600000000, 0.0001871900000000 ] - [ 0.0003819500000000, -0.0000022700000000, 0.0002167000000000 ] - [ 0.0005091600000000, -0.0003152700000000, -0.0001428200000000 ] - [ -0.0002959000000000, -0.0001426200000000, 0.0002679900000000 ] - [ 0.0002872000000000, -0.0001077100000000, 0.0000000000000000 ] - [ -0.0004054500000000, 0.0002496200000000, 0.0000000000000000 ] - [ 0.0033337700000000, 0.0037090400000000, 0.0000000000000000 ] - [ 0.0002969500000000, 0.0000153900000000, 0.0000000000000000 ] - [ -0.0006380900000000, -0.0006265300000000, 0.0000000000000000 ] - [ 0.0847365300000000, 0.0044179900000000, 0.0000000000000000 ] - [ 0.0003029800000000, -0.0001896200000000, 0.0000000000000000 ] - [ -0.0002866800000000, -0.0008998600000000, 0.0000000000000000 ] - [ -0.0003181900000000, 0.0003445900000000, 0.0000000000000000 ] - [ -0.0095038600000000, -0.0067088000000000, 0.0000000000000000 ] - [ -0.0001163900000000, 0.0005568800000000, 0.0000000000000000 ] - [ 0.0001690000000000, 0.0005252200000000, 0.0000000000000000 ] - [ 0.0001130400000000, -0.0000969900000000, 0.0000000000000000 ] - [ 0.0003334000000000, 0.0001308800000000, 0.0000000000000000 ] - [ -0.0026334400000000, -0.0022847800000000, 0.0000000000000000 ] - [ 0.0001927500000000, 0.0000819600000000, 0.0000000000000000 ] - [ 0.0000688900000000, -0.0000209800000000, 0.0000000000000000 ] - [ 0.0001645600000000, -0.0000042200000000, 0.0001948400000000 ] - [ 0.0004267200000000, 0.0006962600000000, 0.0006038700000000 ] - [ -0.0001566500000000, 0.0001567700000000, 0.0001931700000000 ] - [ -0.0049931100000000, -0.0030034100000000, -0.0039694000000000 ] - [ -0.0001566500000000, 0.0001567700000000, -0.0001931700000000 ] - [ -0.0049931100000000, -0.0030034100000000, 0.0039694000000000 ] - [ 0.0001645600000000, -0.0000042200000000, -0.0001948400000000 ] - [ 0.0004267200000000, 0.0006962600000000, -0.0006038700000000 ] - [ -0.0000677800000000, -0.0001234600000000, 0.0000237100000000 ] - [ -0.0000181300000000, 0.0003969300000000, 0.0000486200000000 ] - [ 0.0022690900000000, 0.0017743000000000, -0.0020382500000000 ] - [ -0.0002805800000000, -0.0003082800000000, 0.0000979900000000 ] - [ 0.0022690900000000, 0.0017743000000000, 0.0020382500000000 ] - [ -0.0002805800000000, -0.0003082800000000, -0.0000979900000000 ] - [ -0.0000677800000000, -0.0001234600000000, -0.0000237100000000 ] - [ -0.0000181300000000, 0.0003969300000000, -0.0000486200000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0019172400000000, -0.0020580900000000, 0.0000000000000000 ] - [ 0.0006825100000000, 0.0005760500000000, 0.0000000000000000 ] - [ -0.0003133600000000, 0.0024458900000000, 0.0000000000000000 ] - [ -0.0006327800000000, -0.0010119600000000, 0.0000000000000000 ] - [ -0.0008130100000000, -0.0005226900000000, 0.0000000000000000 ] - [ 0.0000646300000000, -0.0007822100000000, 0.0000000000000000 ] - [ 0.0001871200000000, -0.0006575300000000, 0.0000000000000000 ] - [ 0.0001004400000000, -0.0001470700000000, 0.0000000000000000 ] - [ 0.0000334400000000, 0.0014021500000000, -0.0011995900000000 ] - [ 0.0000578300000000, -0.0004283500000000, 0.0001327300000000 ] - [ 0.0000334400000000, 0.0014021500000000, 0.0011995900000000 ] - [ 0.0000578300000000, -0.0004283500000000, -0.0001327300000000 ] - [ 0.0003517100000000, 0.0004557800000000, 0.0000000000000000 ] - [ 0.0007247400000000, 0.0006140500000000, 0.0000000000000000 ] - [ -0.0001953800000000, -0.0007370200000000, 0.0000000000000000 ] - [ 0.0005065000000000, 0.0013517800000000, 0.0000000000000000 ] - [ 0.0000076200000000, 0.0003582300000000, 0.0000000000000000 ] - [ -0.0000242900000000, -0.0002651100000000, 0.0000000000000000 ] - [ 0.0128157900000000, 0.0202108300000000, 0.0191966100000000 ] - [ 0.0001301100000000, -0.0005151300000000, 0.0000000000000000 ] - [ -0.0271530200000000, 0.0315384700000000, 0.0000000000000000 ] - [ -0.0000505300000000, -0.0001329300000000, 0.0000000000000000 ] - [ 0.0003407400000000, -0.0004545500000000, 0.0000000000000000 ] - [ -0.0000118300000000, -0.0004133200000000, 0.0000000000000000 ] - [ 0.0001521300000000, -0.0001830700000000, 0.0000000000000000 ] - [ 0.0001995200000000, 0.0009234500000000, 0.0000000000000000 ] - [ -0.0003724900000000, -0.0003703200000000, 0.0000000000000000 ] - [ -0.0001730700000000, -0.0002997800000000, 0.0000000000000000 ] - [ -0.0000653400000000, -0.0005389600000000, 0.0004903200000000 ] - [ 0.0004709500000000, -0.0002393200000000, -0.0001389400000000 ] - [ 0.0128157900000000, 0.0202108300000000, -0.0191966100000000 ] - [ -0.0002292600000000, -0.0004000700000000, -0.0003444900000000 ] - [ 0.0002712900000000, -0.0001639700000000, 0.0002863100000000 ] - [ 0.0001991300000000, -0.0002784900000000, -0.0000227500000000 ] - [ -0.0002387000000000, -0.0005869700000000, 0.0003394200000000 ] - [ -0.0002941100000000, -0.0000456200000000, -0.0011834700000000 ] - [ -0.0002387000000000, -0.0005869700000000, -0.0003394200000000 ] - [ -0.0002941100000000, -0.0000456200000000, 0.0011834700000000 ] - [ 0.0002712900000000, -0.0001639700000000, -0.0002863100000000 ] - [ 0.0001991300000000, -0.0002784900000000, 0.0000227500000000 ] - [ 0.0004709500000000, -0.0002393200000000, 0.0001389400000000 ] - [ -0.0000653400000000, -0.0005389600000000, -0.0004903200000000 ] - [ -0.0002292600000000, -0.0004000700000000, 0.0003444900000000 ] - [ 0.0002808600000000, -0.0003850200000000, 0.0000000000000000 ] - [ -0.0003468900000000, 0.0006507100000000, 0.0000000000000000 ] - [ -0.0049749500000000, -0.0088857200000000, 0.0000000000000000 ] - [ 0.0002072700000000, 0.0004729500000000, 0.0000000000000000 ] - [ 0.0020406900000000, 0.0041952100000000, 0.0000000000000000 ] - [ -0.0030337500000000, -0.0764870300000000, 0.0000000000000000 ] - [ 0.0004149600000000, -0.0000037400000000, 0.0000000000000000 ] - [ 0.0002965100000000, 0.0023179400000000, 0.0000000000000000 ] - [ -0.0002600100000000, 0.0005423500000000, 0.0000000000000000 ] - [ 0.0056375400000000, 0.0041925200000000, 0.0000000000000000 ] - [ -0.0002180700000000, 0.0008316400000000, 0.0000000000000000 ] - [ 0.0006567500000000, 0.0008095800000000, 0.0000000000000000 ] - [ 0.0000284600000000, 0.0003038100000000, 0.0000000000000000 ] - [ -0.0004299900000000, 0.0007150400000000, 0.0000000000000000 ] - [ -0.0001538600000000, 0.0009921000000000, 0.0000000000000000 ] - [ 0.0003858500000000, 0.0003094800000000, 0.0000000000000000 ] - [ 0.0001311000000000, 0.0001502200000000, 0.0000000000000000 ] - [ 0.0001637600000000, 0.0002116500000000, 0.0002028500000000 ] - [ -0.0006451400000000, 0.0000380000000000, 0.0006211300000000 ] - [ -0.0002177300000000, 0.0003877100000000, 0.0002848400000000 ] - [ -0.0001542000000000, -0.0039164300000000, -0.0014651200000000 ] - [ -0.0002177300000000, 0.0003877100000000, -0.0002848400000000 ] - [ -0.0001542000000000, -0.0039164300000000, 0.0014651200000000 ] - [ 0.0001637600000000, 0.0002116500000000, -0.0002028500000000 ] - [ -0.0006451400000000, 0.0000380000000000, -0.0006211300000000 ] - [ -0.0000721700000000, 0.0003702100000000, 0.0000281400000000 ] - [ 0.0000114800000000, 0.0007460300000000, 0.0000515500000000 ] - [ -0.0003783600000000, 0.0026460100000000, -0.0014480100000000 ] - [ 0.0001275000000000, 0.0003681200000000, 0.0000400100000000 ] - [ -0.0003783600000000, 0.0026460100000000, 0.0014480100000000 ] - [ 0.0001275000000000, 0.0003681200000000, -0.0000400100000000 ] - [ -0.0000721700000000, 0.0003702100000000, -0.0000281400000000 ] - [ 0.0000114800000000, 0.0007460300000000, -0.0000515500000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005316300000000, 0.0004528900000000, 0.0000000000000000 ] - [ 0.0006453700000000, 0.0010127200000000, 0.0000000000000000 ] - [ -0.0010141800000000, -0.0008458200000000, 0.0000000000000000 ] - [ -0.0006944900000000, -0.0005829200000000, 0.0000000000000000 ] - [ 0.0004948500000000, 0.0010531200000000, 0.0000000000000000 ] - [ -0.0003903000000000, 0.0002516200000000, 0.0000000000000000 ] - [ 0.0001384500000000, 0.0001225400000000, 0.0000000000000000 ] - [ 0.0002232800000000, 0.0006699300000000, 0.0000000000000000 ] - [ -0.0000314000000000, -0.0013851200000000, 0.0009105300000000 ] - [ -0.0000570100000000, 0.0004225100000000, 0.0001451600000000 ] - [ -0.0000314000000000, -0.0013851200000000, -0.0009105300000000 ] - [ -0.0000570100000000, 0.0004225100000000, -0.0001451600000000 ] - [ 0.0000861000000000, 0.0007227500000000, 0.0000000000000000 ] - [ -0.0002770400000000, -0.0017966500000000, 0.0000000000000000 ] - [ -0.0002410500000000, -0.0004470700000000, 0.0000000000000000 ] - [ -0.0009466100000000, -0.0001636000000000, 0.0000000000000000 ] - [ -0.0005460700000000, -0.0004269600000000, 0.0000000000000000 ] - [ -0.0005054700000000, 0.0003170200000000, 0.0000000000000000 ] - [ -0.0138065400000000, -0.0202545300000000, -0.0201968400000000 ] - [ 0.0003976700000000, 0.0005715600000000, 0.0000000000000000 ] - [ 0.0280177600000000, -0.0323819800000000, 0.0000000000000000 ] - [ -0.0000011800000000, 0.0004599700000000, 0.0000000000000000 ] - [ -0.0002865800000000, 0.0007741900000000, 0.0000000000000000 ] - [ 0.0000626800000000, 0.0000789400000000, 0.0000000000000000 ] - [ 0.0004517300000000, 0.0003956400000000, 0.0000000000000000 ] - [ 0.0004066700000000, -0.0011268200000000, 0.0000000000000000 ] - [ -0.0002324900000000, 0.0001508800000000, 0.0000000000000000 ] - [ -0.0004289500000000, 0.0005156500000000, 0.0000000000000000 ] - [ 0.0007624500000000, 0.0003889600000000, 0.0000003900000000 ] - [ 0.0002321200000000, 0.0003788400000000, -0.0003441000000000 ] - [ -0.0138065400000000, -0.0202545300000000, 0.0201968400000000 ] - [ -0.0004706700000000, 0.0002519200000000, -0.0001408200000000 ] - [ 0.0003096200000000, 0.0002999800000000, 0.0001356100000000 ] - [ 0.0003806400000000, 0.0001360200000000, -0.0003937500000000 ] - [ -0.0003414700000000, 0.0004457000000000, 0.0000821600000000 ] - [ -0.0003256100000000, 0.0001782700000000, 0.0007841700000000 ] - [ -0.0003414700000000, 0.0004457000000000, -0.0000821600000000 ] - [ -0.0003256100000000, 0.0001782700000000, -0.0007841700000000 ] - [ 0.0003096200000000, 0.0002999800000000, -0.0001356100000000 ] - [ 0.0003806400000000, 0.0001360200000000, 0.0003937500000000 ] - [ 0.0002321200000000, 0.0003788400000000, 0.0003441000000000 ] - [ 0.0007624500000000, 0.0003889600000000, -0.0000003900000000 ] - [ -0.0004706700000000, 0.0002519200000000, 0.0001408200000000 ] - [ 0.0002492800000000, 0.0003152700000000, 0.0000000000000000 ] - [ -0.0002773700000000, -0.0004329500000000, 0.0000000000000000 ] - [ 0.0043284600000000, 0.0085955600000000, 0.0000000000000000 ] - [ 0.0004139400000000, -0.0006754500000000, 0.0000000000000000 ] - [ -0.0014152300000000, -0.0039478600000000, 0.0000000000000000 ] - [ 0.0034154200000000, 0.0779726900000000, 0.0000000000000000 ] - [ 0.0002364900000000, -0.0005522300000000, 0.0000000000000000 ] - [ -0.0009337700000000, -0.0028337500000000, 0.0000000000000000 ] - [ -0.0003898100000000, 0.0000204100000000, 0.0000000000000000 ] - [ -0.0059979800000000, -0.0046560200000000, 0.0000000000000000 ] - [ -0.0000756100000000, -0.0003815500000000, 0.0000000000000000 ] - [ -0.0003574000000000, -0.0003568800000000, 0.0000000000000000 ] - [ 0.0002605100000000, -0.0007402600000000, 0.0000000000000000 ] - [ 0.0001452600000000, -0.0006668000000000, 0.0000000000000000 ] - [ -0.0000663300000000, -0.0010132100000000, 0.0000000000000000 ] - [ -0.0000942200000000, -0.0003521600000000, 0.0000000000000000 ] - [ 0.0001558000000000, -0.0001011000000000, 0.0000000000000000 ] - [ 0.0001886200000000, -0.0003635100000000, 0.0002292700000000 ] - [ 0.0009930800000000, 0.0001189300000000, -0.0010456300000000 ] - [ -0.0001351000000000, -0.0002281600000000, 0.0001483700000000 ] - [ -0.0002235900000000, 0.0037353900000000, 0.0010198100000000 ] - [ -0.0001351000000000, -0.0002281600000000, -0.0001483700000000 ] - [ -0.0002235900000000, 0.0037353900000000, -0.0010198100000000 ] - [ 0.0001886200000000, -0.0003635100000000, -0.0002292700000000 ] - [ 0.0009930800000000, 0.0001189300000000, 0.0010456300000000 ] - [ 0.0000144500000000, -0.0008851100000000, -0.0001202700000000 ] - [ -0.0000677300000000, -0.0002160600000000, 0.0000427200000000 ] - [ 0.0004358900000000, -0.0021273100000000, 0.0013654000000000 ] - [ -0.0000707100000000, -0.0008823900000000, 0.0000572500000000 ] - [ 0.0004358900000000, -0.0021273100000000, -0.0013654000000000 ] - [ -0.0000707100000000, -0.0008823900000000, -0.0000572500000000 ] - [ 0.0000144500000000, -0.0008851100000000, 0.0001202700000000 ] - [ -0.0000677300000000, -0.0002160600000000, -0.0000427200000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0006871300000000, -0.0007854300000000, -0.0022159500000000 ] - [ 0.0006639800000000, 0.0007953400000000, -0.0000136000000000 ] - [ -0.0006662700000000, 0.0007933300000000, 0.0011746300000000 ] - [ -0.0006638500000000, -0.0007964700000000, 0.0000028700000000 ] - [ -0.0001628000000000, 0.0002723100000000, 0.0012261100000000 ] - [ -0.0001594600000000, -0.0002613700000000, -0.0004725400000000 ] - [ 0.0001622400000000, -0.0002652400000000, -0.0000714800000000 ] - [ 0.0001625000000000, 0.0002630400000000, 0.0000122300000000 ] - [ 0.0011707400000000, 0.0007540100000000, -0.0032716800000000 ] - [ -0.0000009000000000, 0.0000115500000000, 0.0001431200000000 ] - [ -0.0011442700000000, -0.0007084900000000, -0.0030175000000000 ] - [ 0.0000013200000000, -0.0000147500000000, -0.0001347700000000 ] - [ 0.0002184400000000, 0.0005895500000000, 0.0000052700000000 ] - [ 0.0002208000000000, -0.0005901100000000, -0.0007650700000000 ] - [ -0.0002182000000000, -0.0005915000000000, -0.0000036100000000 ] - [ -0.0002184900000000, 0.0005946500000000, -0.0005362400000000 ] - [ -0.0002691200000000, -0.0000410900000000, 0.0001394300000000 ] - [ -0.0002624700000000, 0.0000282600000000, -0.0006446400000000 ] - [ 0.0147366700000000, 0.0184092000000000, 0.0291582000000000 ] - [ 0.0002645400000000, 0.0000310300000000, -0.0000316500000000 ] - [ -0.0000611800000000, -0.0001402900000000, 0.0059905800000000 ] - [ -0.0000259900000000, 0.0001648200000000, 0.0000184700000000 ] - [ 0.0000278900000000, 0.0001642500000000, 0.0000268400000000 ] - [ 0.0000255300000000, -0.0001665400000000, -0.0000049300000000 ] - [ 0.0003022500000000, 0.0001071200000000, -0.0000243600000000 ] - [ 0.0002990700000000, -0.0001047800000000, -0.0016426500000000 ] - [ -0.0003023100000000, -0.0001088500000000, 0.0000059000000000 ] - [ -0.0002992800000000, 0.0001065900000000, -0.0004561300000000 ] - [ 0.0003438400000000, 0.0001984400000000, -0.0003398900000000 ] - [ 0.0003531700000000, 0.0000665200000000, -0.0002479100000000 ] - [ -0.0161636300000000, -0.0190402300000000, 0.0306218900000000 ] - [ -0.0004129700000000, -0.0000894100000000, -0.0002235400000000 ] - [ 0.0002886300000000, 0.0000388700000000, 0.0002261900000000 ] - [ 0.0004369500000000, 0.0000423700000000, -0.0003836000000000 ] - [ -0.0003764600000000, -0.0001536900000000, 0.0001914700000000 ] - [ -0.0007160600000000, -0.0000315100000000, 0.0021652600000000 ] - [ -0.0002056200000000, 0.0000137900000000, -0.0002264600000000 ] - [ 0.0001128000000000, 0.0001690700000000, 0.0025341000000000 ] - [ 0.0002923400000000, 0.0000980900000000, -0.0001943200000000 ] - [ 0.0001436700000000, -0.0001838400000000, 0.0000347800000000 ] - [ 0.0003488800000000, 0.0000750100000000, 0.0002356000000000 ] - [ 0.0003535000000000, -0.0003452700000000, -0.0008249000000000 ] - [ -0.0002876400000000, -0.0000563400000000, 0.0002607300000000 ] - [ 0.0002645800000000, -0.0000344000000000, 0.0000132400000000 ] - [ -0.0003120000000000, 0.0001072000000000, -0.0000027500000000 ] - [ -0.0003273600000000, -0.0001359000000000, 0.0118702800000000 ] - [ 0.0003108700000000, -0.0001032600000000, -0.0000099300000000 ] - [ 0.0003162100000000, 0.0001351200000000, 0.0067688900000000 ] - [ 0.0010671900000000, 0.0009920200000000, -0.0714499200000000 ] - [ 0.0003254100000000, -0.0002790400000000, 0.0000104100000000 ] - [ -0.0003253700000000, -0.0002842500000000, 0.0003073600000000 ] - [ -0.0003249900000000, 0.0002804900000000, 0.0000199500000000 ] - [ -0.0001704200000000, -0.0002394200000000, -0.0138852200000000 ] - [ -0.0001478300000000, 0.0002224200000000, 0.0001098200000000 ] - [ 0.0001467700000000, 0.0002222100000000, 0.0006644400000000 ] - [ 0.0001450000000000, -0.0002201500000000, -0.0000186700000000 ] - [ -0.0001389900000000, 0.0000245100000000, -0.0001207000000000 ] - [ -0.0001141700000000, -0.0000019700000000, 0.0054389300000000 ] - [ 0.0001447700000000, -0.0000223700000000, 0.0000177100000000 ] - [ 0.0001425700000000, 0.0000224100000000, 0.0000252400000000 ] - [ 0.0001746200000000, -0.0000808900000000, 0.0002142900000000 ] - [ -0.0004742100000000, 0.0007214000000000, -0.0001900500000000 ] - [ -0.0001711300000000, 0.0000732300000000, 0.0002180500000000 ] - [ 0.0012129900000000, -0.0005804400000000, 0.0001940000000000 ] - [ -0.0001816400000000, 0.0000844200000000, -0.0002142900000000 ] - [ -0.0015584200000000, 0.0004019200000000, 0.0006529300000000 ] - [ 0.0001777900000000, -0.0000729200000000, -0.0002174800000000 ] - [ 0.0008148400000000, -0.0005657000000000, 0.0002527100000000 ] - [ 0.0000512900000000, -0.0003441200000000, -0.0000451800000000 ] - [ -0.0000372600000000, 0.0002928700000000, 0.0000425500000000 ] - [ 0.0020605800000000, -0.0014344300000000, 0.0003226400000000 ] - [ -0.0000229600000000, -0.0000674100000000, 0.0001248700000000 ] - [ -0.0019987100000000, 0.0019666800000000, 0.0004310400000000 ] - [ 0.0000787400000000, -0.0004523000000000, 0.0000302000000000 ] - [ -0.0001092600000000, -0.0001739200000000, 0.0000495800000000 ] - [ -0.0000194200000000, 0.0002339600000000, -0.0000511600000000 ]- atom: 53 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0010649500000000, 0.0010322600000000, 0.0000000000000000 ] - [ 0.0006394000000000, 0.0005798100000000, 0.0000000000000000 ] - [ -0.0005124400000000, 0.0009286100000000, 0.0000000000000000 ] - [ -0.0006433800000000, -0.0009498600000000, 0.0000000000000000 ] - [ 0.0263930000000000, -0.0298146000000000, 0.0000000000000000 ] - [ -0.0005772500000000, -0.0007687800000000, 0.0000000000000000 ] - [ 0.0000909300000000, -0.0005659000000000, 0.0000000000000000 ] - [ 0.0001175900000000, 0.0000366700000000, 0.0000000000000000 ] - [ -0.0006760100000000, -0.0017614800000000, -0.0003163400000000 ] - [ 0.0000838600000000, -0.0001227600000000, 0.0001130600000000 ] - [ -0.0006760100000000, -0.0017614800000000, 0.0003163400000000 ] - [ 0.0000838600000000, -0.0001227600000000, -0.0001130600000000 ] - [ 0.0001465500000000, 0.0004458000000000, 0.0000000000000000 ] - [ 0.0002724300000000, -0.0001438200000000, 0.0000000000000000 ] - [ -0.0001713800000000, -0.0007056000000000, 0.0000000000000000 ] - [ 0.0001986800000000, 0.0005560400000000, 0.0000000000000000 ] - [ -0.0009260400000000, -0.0007199700000000, 0.0000000000000000 ] - [ 0.0011505100000000, -0.0012339800000000, 0.0000000000000000 ] - [ 0.0083440900000000, 0.0040767300000000, -0.0094626200000000 ] - [ 0.0002114600000000, -0.0001589600000000, 0.0000000000000000 ] - [ -0.0031362900000000, 0.0011500300000000, 0.0000000000000000 ] - [ -0.0002051900000000, 0.0000085600000000, 0.0000000000000000 ] - [ 0.0000340900000000, 0.0002922200000000, 0.0000000000000000 ] - [ 0.0000180900000000, -0.0002965300000000, 0.0000000000000000 ] - [ 0.0007138900000000, 0.0004427700000000, 0.0000000000000000 ] - [ -0.0011519500000000, 0.0003752200000000, 0.0000000000000000 ] - [ -0.0003243900000000, -0.0002114400000000, 0.0000000000000000 ] - [ -0.0000842600000000, -0.0001945200000000, 0.0000000000000000 ] - [ -0.0001391300000000, -0.0006482400000000, 0.0009015800000000 ] - [ 0.0003867200000000, -0.0000670800000000, -0.0002253500000000 ] - [ 0.0083440900000000, 0.0040767300000000, 0.0094626200000000 ] - [ -0.0001091000000000, -0.0000538800000000, -0.0003525100000000 ] - [ 0.0003068200000000, -0.0000707100000000, 0.0001875800000000 ] - [ 0.0001399300000000, -0.0001984300000000, -0.0001319800000000 ] - [ -0.0004128200000000, -0.0005217300000000, -0.0001720500000000 ] - [ 0.0087349400000000, 0.0033753400000000, 0.0010887900000000 ] - [ -0.0004128200000000, -0.0005217300000000, 0.0001720500000000 ] - [ 0.0087349400000000, 0.0033753400000000, -0.0010887900000000 ] - [ 0.0003068200000000, -0.0000707100000000, -0.0001875800000000 ] - [ 0.0001399300000000, -0.0001984300000000, 0.0001319800000000 ] - [ 0.0003867200000000, -0.0000670800000000, 0.0002253500000000 ] - [ -0.0001391300000000, -0.0006482400000000, -0.0009015800000000 ] - [ -0.0001091000000000, -0.0000538800000000, 0.0003525100000000 ] - [ 0.0003031200000000, -0.0002189900000000, 0.0000000000000000 ] - [ -0.0009675600000000, 0.0002756600000000, 0.0000000000000000 ] - [ 0.0036108100000000, 0.0020203400000000, 0.0000000000000000 ] - [ 0.0003082600000000, 0.0000923200000000, 0.0000000000000000 ] - [ 0.0007124500000000, 0.0020221700000000, 0.0000000000000000 ] - [ 0.0096684000000000, 0.0061511900000000, 0.0000000000000000 ] - [ 0.0002956300000000, -0.0002086100000000, 0.0000000000000000 ] - [ -0.0003520300000000, 0.0002257900000000, 0.0000000000000000 ] - [ -0.0002932100000000, 0.0003953700000000, 0.0000000000000000 ] - [ -0.0639805600000000, 0.0149287200000000, 0.0000000000000000 ] - [ -0.0004599500000000, 0.0007492500000000, 0.0000000000000000 ] - [ 0.0010706000000000, 0.0005747100000000, 0.0000000000000000 ] - [ 0.0001398100000000, 0.0000404500000000, 0.0000000000000000 ] - [ 0.0003239700000000, 0.0007812500000000, 0.0000000000000000 ] - [ -0.0110981100000000, -0.0022010000000000, 0.0000000000000000 ] - [ 0.0002005900000000, 0.0001579600000000, 0.0000000000000000 ] - [ 0.0000165500000000, 0.0001500000000000, 0.0000000000000000 ] - [ 0.0001448000000000, 0.0000881400000000, 0.0002079200000000 ] - [ -0.0001325200000000, 0.0000008900000000, -0.0005693200000000 ] - [ -0.0000272500000000, 0.0002386700000000, 0.0003491500000000 ] - [ 0.0006998300000000, -0.0024425900000000, -0.0009824200000000 ] - [ -0.0000272500000000, 0.0002386700000000, -0.0003491500000000 ] - [ 0.0006998300000000, -0.0024425900000000, 0.0009824200000000 ] - [ 0.0001448000000000, 0.0000881400000000, -0.0002079200000000 ] - [ -0.0001325200000000, 0.0000008900000000, 0.0005693200000000 ] - [ -0.0001082300000000, 0.0000054300000000, -0.0000852600000000 ] - [ 0.0000126900000000, 0.0005166300000000, 0.0000537400000000 ] - [ 0.0030525100000000, -0.0009837500000000, 0.0013396500000000 ] - [ -0.0017099900000000, 0.0005585300000000, 0.0017993200000000 ] - [ 0.0030525100000000, -0.0009837500000000, -0.0013396500000000 ] - [ -0.0017099900000000, 0.0005585300000000, -0.0017993200000000 ] - [ -0.0001082300000000, 0.0000054300000000, 0.0000852600000000 ] - [ 0.0000126900000000, 0.0005166300000000, -0.0000537400000000 ]- atom: 53 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002483900000000, -0.0026349000000000, 0.0000000000000000 ] - [ 0.0006881400000000, 0.0010122700000000, 0.0000000000000000 ] - [ -0.0008060800000000, 0.0006648700000000, 0.0000000000000000 ] - [ -0.0006838700000000, -0.0006416300000000, 0.0000000000000000 ] - [ -0.0264256800000000, 0.0296063100000000, 0.0000000000000000 ] - [ 0.0002465500000000, 0.0002321600000000, 0.0000000000000000 ] - [ 0.0002338800000000, 0.0000398800000000, 0.0000000000000000 ] - [ 0.0002081200000000, 0.0004936800000000, 0.0000000000000000 ] - [ 0.0006778800000000, 0.0017698000000000, 0.0000226100000000 ] - [ -0.0000836400000000, 0.0001239600000000, 0.0001647900000000 ] - [ 0.0006778800000000, 0.0017698000000000, -0.0000226100000000 ] - [ -0.0000836400000000, 0.0001239600000000, -0.0001647900000000 ] - [ 0.0002923600000000, 0.0007371700000000, 0.0000000000000000 ] - [ 0.0001803800000000, -0.0010437000000000, 0.0000000000000000 ] - [ -0.0002671300000000, -0.0004740700000000, 0.0000000000000000 ] - [ -0.0006443300000000, 0.0006251300000000, 0.0000000000000000 ] - [ 0.0004120500000000, 0.0006696000000000, 0.0000000000000000 ] - [ -0.0016787600000000, 0.0013058700000000, 0.0000000000000000 ] - [ -0.0088015800000000, -0.0037457400000000, 0.0086030100000000 ] - [ 0.0003189200000000, 0.0002250700000000, 0.0000000000000000 ] - [ 0.0030977400000000, -0.0015033500000000, 0.0000000000000000 ] - [ 0.0001554800000000, 0.0003250000000000, 0.0000000000000000 ] - [ 0.0000179100000000, 0.0000360400000000, 0.0000000000000000 ] - [ 0.0000335900000000, -0.0000332800000000, 0.0000000000000000 ] - [ -0.0001085400000000, -0.0002223800000000, 0.0000000000000000 ] - [ 0.0017592200000000, -0.0005860600000000, 0.0000000000000000 ] - [ -0.0002790700000000, -0.0000034200000000, 0.0000000000000000 ] - [ -0.0005222900000000, 0.0004133700000000, 0.0000000000000000 ] - [ 0.0008455000000000, 0.0005091100000000, -0.0004198500000000 ] - [ 0.0003147100000000, 0.0002121400000000, -0.0002591200000000 ] - [ -0.0088015800000000, -0.0037457400000000, -0.0086030100000000 ] - [ -0.0005916400000000, -0.0000899300000000, -0.0001336100000000 ] - [ 0.0002740600000000, 0.0002111400000000, 0.0002334600000000 ] - [ 0.0004415500000000, 0.0000591600000000, -0.0002911400000000 ] - [ -0.0001667700000000, 0.0003825500000000, 0.0005947400000000 ] - [ -0.0094113300000000, -0.0032662700000000, -0.0016313600000000 ] - [ -0.0001667700000000, 0.0003825500000000, -0.0005947400000000 ] - [ -0.0094113300000000, -0.0032662700000000, 0.0016313600000000 ] - [ 0.0002740600000000, 0.0002111400000000, -0.0002334600000000 ] - [ 0.0004415500000000, 0.0000591600000000, 0.0002911400000000 ] - [ 0.0003147100000000, 0.0002121400000000, 0.0002591200000000 ] - [ 0.0008455000000000, 0.0005091100000000, 0.0004198500000000 ] - [ -0.0005916400000000, -0.0000899300000000, 0.0001336100000000 ] - [ 0.0002266100000000, 0.0001550800000000, 0.0000000000000000 ] - [ 0.0003446400000000, -0.0000683400000000, 0.0000000000000000 ] - [ -0.0042160100000000, -0.0022770200000000, 0.0000000000000000 ] - [ 0.0003143400000000, -0.0003040300000000, 0.0000000000000000 ] - [ -0.0000913600000000, -0.0018120900000000, 0.0000000000000000 ] - [ -0.0089785500000000, -0.0054850600000000, 0.0000000000000000 ] - [ 0.0003542900000000, -0.0003510900000000, 0.0000000000000000 ] - [ -0.0002991400000000, -0.0007888300000000, 0.0000000000000000 ] - [ -0.0003572700000000, 0.0001629300000000, 0.0000000000000000 ] - [ 0.0629609400000000, -0.0150230400000000, 0.0000000000000000 ] - [ 0.0001707600000000, -0.0003060000000000, 0.0000000000000000 ] - [ -0.0007839600000000, -0.0001337000000000, 0.0000000000000000 ] - [ 0.0001512200000000, -0.0004856100000000, 0.0000000000000000 ] - [ -0.0006264600000000, -0.0007396400000000, 0.0000000000000000 ] - [ 0.0108133500000000, 0.0021468500000000, 0.0000000000000000 ] - [ 0.0000881400000000, -0.0002067200000000, 0.0000000000000000 ] - [ 0.0002725300000000, -0.0001040700000000, 0.0000000000000000 ] - [ 0.0002085400000000, -0.0002454100000000, 0.0002255900000000 ] - [ 0.0004876600000000, 0.0001601400000000, 0.0001390300000000 ] - [ -0.0003248800000000, -0.0000841700000000, 0.0000844300000000 ] - [ -0.0010492000000000, 0.0022866400000000, 0.0005617700000000 ] - [ -0.0003248800000000, -0.0000841700000000, -0.0000844300000000 ] - [ -0.0010492000000000, 0.0022866400000000, -0.0005617700000000 ] - [ 0.0002085400000000, -0.0002454100000000, -0.0002255900000000 ] - [ 0.0004876600000000, 0.0001601400000000, -0.0001390300000000 ] - [ 0.0000517900000000, -0.0005303400000000, -0.0000083000000000 ] - [ -0.0000696600000000, 0.0000043100000000, 0.0000403700000000 ] - [ -0.0029771700000000, 0.0015017300000000, -0.0014115500000000 ] - [ 0.0017636500000000, -0.0010704500000000, -0.0017071000000000 ] - [ -0.0029771700000000, 0.0015017300000000, 0.0014115500000000 ] - [ 0.0017636500000000, -0.0010704500000000, 0.0017071000000000 ] - [ 0.0000517900000000, -0.0005303400000000, 0.0000083000000000 ] - [ -0.0000696600000000, 0.0000043100000000, -0.0000403700000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0017299700000000, 0.0022481300000000, 0.0000000000000000 ] - [ 0.0007328100000000, 0.0005243400000000, 0.0000000000000000 ] - [ -0.0010642400000000, -0.0000391700000000, 0.0000000000000000 ] - [ -0.0006148300000000, -0.0011472800000000, 0.0000000000000000 ] - [ -0.0278879100000000, 0.0551589000000000, 0.0000000000000000 ] - [ 0.0001280000000000, 0.0007216400000000, 0.0000000000000000 ] - [ 0.0003619700000000, -0.0011903800000000, 0.0000000000000000 ] - [ 0.0000298800000000, -0.0005325500000000, 0.0000000000000000 ] - [ -0.0004485500000000, -0.0008976700000000, -0.0002528500000000 ] - [ 0.0000851600000000, -0.0008561000000000, 0.0001386800000000 ] - [ -0.0004485500000000, -0.0008976700000000, 0.0002528500000000 ] - [ 0.0000851600000000, -0.0008561000000000, -0.0001386800000000 ] - [ 0.0003944900000000, 0.0001845100000000, 0.0000000000000000 ] - [ 0.0000756700000000, -0.0002495100000000, 0.0000000000000000 ] - [ -0.0001078000000000, -0.0009454100000000, 0.0000000000000000 ] - [ 0.0000034100000000, 0.0005273900000000, 0.0000000000000000 ] - [ -0.0009793900000000, -0.0007973200000000, 0.0000000000000000 ] - [ -0.0002468100000000, 0.0011661300000000, 0.0000000000000000 ] - [ 0.0046300700000000, 0.0037681400000000, -0.0050887500000000 ] - [ 0.0000398600000000, -0.0008354000000000, 0.0000000000000000 ] - [ -0.0010761600000000, 0.0017368100000000, 0.0000000000000000 ] - [ 0.0001032200000000, -0.0004631800000000, 0.0000000000000000 ] - [ -0.0000112700000000, -0.0003908900000000, 0.0000000000000000 ] - [ -0.0000316800000000, -0.0006501000000000, 0.0000000000000000 ] - [ -0.0000214400000000, -0.0006113100000000, 0.0000000000000000 ] - [ -0.0018258400000000, 0.0017025000000000, 0.0000000000000000 ] - [ -0.0004530000000000, -0.0006497600000000, 0.0000000000000000 ] - [ -0.0003748000000000, -0.0004339100000000, 0.0000000000000000 ] - [ 0.0002581300000000, -0.0008258100000000, 0.0004927500000000 ] - [ 0.0005917000000000, -0.0005468500000000, -0.0000317500000000 ] - [ 0.0046300700000000, 0.0037681400000000, 0.0050887500000000 ] - [ -0.0004592200000000, -0.0007678300000000, -0.0002921600000000 ] - [ 0.0002988800000000, -0.0003970100000000, 0.0003506300000000 ] - [ 0.0002911200000000, -0.0004992600000000, -0.0000733300000000 ] - [ -0.0001619200000000, -0.0001334700000000, 0.0001347200000000 ] - [ 0.0014796400000000, 0.0052361900000000, 0.0007427000000000 ] - [ -0.0001619200000000, -0.0001334700000000, -0.0001347200000000 ] - [ 0.0014796400000000, 0.0052361900000000, -0.0007427000000000 ] - [ 0.0002988800000000, -0.0003970100000000, -0.0003506300000000 ] - [ 0.0002911200000000, -0.0004992600000000, 0.0000733300000000 ] - [ 0.0005917000000000, -0.0005468500000000, 0.0000317500000000 ] - [ 0.0002581300000000, -0.0008258100000000, -0.0004927500000000 ] - [ -0.0004592200000000, -0.0007678300000000, 0.0002921600000000 ] - [ 0.0004317100000000, -0.0008058000000000, 0.0000000000000000 ] - [ -0.0000874500000000, 0.0012441900000000, 0.0000000000000000 ] - [ 0.0014242700000000, 0.0025859300000000, 0.0000000000000000 ] - [ 0.0001200400000000, 0.0010276000000000, 0.0000000000000000 ] - [ 0.0007325500000000, 0.0011732000000000, 0.0000000000000000 ] - [ 0.0068097800000000, 0.0047082300000000, 0.0000000000000000 ] - [ 0.0006600100000000, 0.0003247000000000, 0.0000000000000000 ] - [ -0.0006284500000000, 0.0003016400000000, 0.0000000000000000 ] - [ -0.0002014300000000, 0.0008014400000000, 0.0000000000000000 ] - [ 0.0140252400000000, -0.0818116000000000, 0.0000000000000000 ] - [ -0.0006730500000000, 0.0000167200000000, 0.0000000000000000 ] - [ 0.0004969200000000, 0.0015107900000000, 0.0000000000000000 ] - [ -0.0001174000000000, 0.0007619900000000, 0.0000000000000000 ] - [ 0.0000231000000000, 0.0017725500000000, 0.0000000000000000 ] - [ -0.0023579300000000, -0.0021373200000000, 0.0000000000000000 ] - [ 0.0004953500000000, 0.0006186400000000, 0.0000000000000000 ] - [ -0.0002128200000000, 0.0004777900000000, 0.0000000000000000 ] - [ 0.0001387700000000, 0.0004827900000000, 0.0001015300000000 ] - [ 0.0003393100000000, 0.0009402700000000, 0.0005849800000000 ] - [ -0.0003295800000000, 0.0006397600000000, 0.0002229700000000 ] - [ -0.0014177100000000, -0.0012794100000000, 0.0016296000000000 ] - [ -0.0003295800000000, 0.0006397600000000, -0.0002229700000000 ] - [ -0.0014177100000000, -0.0012794100000000, -0.0016296000000000 ] - [ 0.0001387700000000, 0.0004827900000000, -0.0001015300000000 ] - [ 0.0003393100000000, 0.0009402700000000, -0.0005849800000000 ] - [ -0.0001892900000000, 0.0007472300000000, -0.0000083300000000 ] - [ 0.0000887200000000, 0.0012553400000000, 0.0000500800000000 ] - [ -0.0019825100000000, -0.0031632900000000, -0.0024714500000000 ] - [ 0.0018650200000000, 0.0024945400000000, -0.0031786500000000 ] - [ -0.0019825100000000, -0.0031632900000000, 0.0024714500000000 ] - [ 0.0018650200000000, 0.0024945400000000, 0.0031786500000000 ] - [ -0.0001892900000000, 0.0007472300000000, 0.0000083300000000 ] - [ 0.0000887200000000, 0.0012553400000000, -0.0000500800000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003805800000000, -0.0037580200000000, 0.0000000000000000 ] - [ 0.0005945000000000, 0.0010672400000000, 0.0000000000000000 ] - [ -0.0002791900000000, 0.0016456000000000, 0.0000000000000000 ] - [ -0.0007129800000000, -0.0004444500000000, 0.0000000000000000 ] - [ 0.0289588600000000, -0.0566057900000000, 0.0000000000000000 ] - [ -0.0004617600000000, -0.0012610700000000, 0.0000000000000000 ] - [ -0.0000373000000000, 0.0006647600000000, 0.0000000000000000 ] - [ 0.0002957300000000, 0.0010624600000000, 0.0000000000000000 ] - [ 0.0004551800000000, 0.0009171500000000, -0.0000292400000000 ] - [ -0.0000851400000000, 0.0008582900000000, 0.0001401600000000 ] - [ 0.0004551800000000, 0.0009171500000000, 0.0000292400000000 ] - [ -0.0000851400000000, 0.0008582900000000, -0.0001401600000000 ] - [ 0.0000436000000000, 0.0009982200000000, 0.0000000000000000 ] - [ 0.0003726500000000, -0.0009328100000000, 0.0000000000000000 ] - [ -0.0003309300000000, -0.0002350800000000, 0.0000000000000000 ] - [ -0.0004495800000000, 0.0006577700000000, 0.0000000000000000 ] - [ 0.0004629900000000, 0.0007485600000000, 0.0000000000000000 ] - [ -0.0002782200000000, -0.0011192600000000, 0.0000000000000000 ] - [ -0.0052210400000000, -0.0036058300000000, 0.0044717800000000 ] - [ 0.0004904000000000, 0.0009012500000000, 0.0000000000000000 ] - [ 0.0010161200000000, -0.0020649700000000, 0.0000000000000000 ] - [ -0.0001553100000000, 0.0007984600000000, 0.0000000000000000 ] - [ 0.0000604200000000, 0.0007197200000000, 0.0000000000000000 ] - [ 0.0000829300000000, 0.0003198700000000, 0.0000000000000000 ] - [ 0.0006261200000000, 0.0008349900000000, 0.0000000000000000 ] - [ 0.0024365900000000, -0.0019294900000000, 0.0000000000000000 ] - [ -0.0001509500000000, 0.0004346100000000, 0.0000000000000000 ] - [ -0.0002361900000000, 0.0006517500000000, 0.0000000000000000 ] - [ 0.0004511600000000, 0.0006850300000000, -0.0000135000000000 ] - [ 0.0001096200000000, 0.0006915900000000, -0.0004533100000000 ] - [ -0.0052210400000000, -0.0036058300000000, -0.0044717800000000 ] - [ -0.0002406500000000, 0.0006265700000000, -0.0001944700000000 ] - [ 0.0002822300000000, 0.0005366100000000, 0.0000700200000000 ] - [ 0.0002917200000000, 0.0003605300000000, -0.0003481500000000 ] - [ -0.0004196000000000, 0.0000019700000000, 0.0002847400000000 ] - [ -0.0020444700000000, -0.0050911800000000, -0.0012145000000000 ] - [ -0.0004196000000000, 0.0000019700000000, -0.0002847400000000 ] - [ -0.0020444700000000, -0.0050911800000000, 0.0012145000000000 ] - [ 0.0002822300000000, 0.0005366100000000, -0.0000700200000000 ] - [ 0.0002917200000000, 0.0003605300000000, 0.0003481500000000 ] - [ 0.0001096200000000, 0.0006915900000000, 0.0004533100000000 ] - [ 0.0004511600000000, 0.0006850300000000, 0.0000135000000000 ] - [ -0.0002406500000000, 0.0006265700000000, 0.0001944700000000 ] - [ 0.0000971200000000, 0.0007435200000000, 0.0000000000000000 ] - [ -0.0005371500000000, -0.0010382600000000, 0.0000000000000000 ] - [ -0.0020793900000000, -0.0028135500000000, 0.0000000000000000 ] - [ 0.0005036000000000, -0.0012410900000000, 0.0000000000000000 ] - [ -0.0001107700000000, -0.0009797900000000, 0.0000000000000000 ] - [ -0.0061010500000000, -0.0041396000000000, 0.0000000000000000 ] - [ -0.0000092600000000, -0.0008890100000000, 0.0000000000000000 ] - [ -0.0000251600000000, -0.0008654400000000, 0.0000000000000000 ] - [ -0.0004496200000000, -0.0002423700000000, 0.0000000000000000 ] - [ -0.0159454800000000, 0.0832268800000000, 0.0000000000000000 ] - [ 0.0003820900000000, 0.0004309600000000, 0.0000000000000000 ] - [ -0.0002114700000000, -0.0010704800000000, 0.0000000000000000 ] - [ 0.0004084800000000, -0.0012070600000000, 0.0000000000000000 ] - [ -0.0003186900000000, -0.0017400900000000, 0.0000000000000000 ] - [ 0.0019921100000000, 0.0020914500000000, 0.0000000000000000 ] - [ -0.0002073400000000, -0.0006664000000000, 0.0000000000000000 ] - [ 0.0005018400000000, -0.0004336800000000, 0.0000000000000000 ] - [ 0.0002141900000000, -0.0006403100000000, 0.0003318900000000 ] - [ 0.0000204400000000, -0.0007749100000000, -0.0010016400000000 ] - [ -0.0000227100000000, -0.0004864500000000, 0.0002109500000000 ] - [ 0.0010495100000000, 0.0011092900000000, -0.0020407100000000 ] - [ -0.0000227100000000, -0.0004864500000000, -0.0002109500000000 ] - [ 0.0010495100000000, 0.0011092900000000, 0.0020407100000000 ] - [ 0.0002141900000000, -0.0006403100000000, -0.0003318900000000 ] - [ 0.0000204400000000, -0.0007749100000000, 0.0010016400000000 ] - [ 0.0001322300000000, -0.0012719500000000, -0.0000845800000000 ] - [ -0.0001458300000000, -0.0007342700000000, 0.0000442400000000 ] - [ 0.0020674100000000, 0.0036990200000000, 0.0024008600000000 ] - [ -0.0018231600000000, -0.0030413000000000, 0.0033074200000000 ] - [ 0.0020674100000000, 0.0036990200000000, -0.0024008600000000 ] - [ -0.0018231600000000, -0.0030413000000000, -0.0033074200000000 ] - [ 0.0001322300000000, -0.0012719500000000, 0.0000845800000000 ] - [ -0.0001458300000000, -0.0007342700000000, -0.0000442400000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0006624100000000, -0.0007953600000000, -0.0013919800000000 ] - [ 0.0006634700000000, 0.0007968000000000, 0.0000576900000000 ] - [ -0.0006640700000000, 0.0007987000000000, 0.0011022400000000 ] - [ -0.0006637800000000, -0.0007953000000000, 0.0000144500000000 ] - [ -0.0002045800000000, 0.0003291600000000, 0.0062323100000000 ] - [ -0.0001572100000000, -0.0002534300000000, 0.0005281300000000 ] - [ 0.0001618600000000, -0.0002628500000000, -0.0000450900000000 ] - [ 0.0001631300000000, 0.0002657900000000, 0.0000308000000000 ] - [ 0.0011594200000000, 0.0019893300000000, -0.0023582800000000 ] - [ -0.0000234800000000, -0.0000369300000000, 0.0001848800000000 ] - [ -0.0011544900000000, -0.0019930900000000, -0.0020678800000000 ] - [ 0.0000227700000000, 0.0000392300000000, -0.0000932600000000 ] - [ 0.0002187500000000, 0.0005909200000000, -0.0000428100000000 ] - [ 0.0002288700000000, -0.0005975200000000, -0.0005023200000000 ] - [ -0.0002192200000000, -0.0005899200000000, -0.0000143900000000 ] - [ -0.0002286800000000, 0.0005929500000000, -0.0003844500000000 ] - [ -0.0002612000000000, -0.0000289800000000, 0.0000201500000000 ] - [ -0.0002695200000000, 0.0000412100000000, -0.0020399700000000 ] - [ -0.0033890100000000, 0.0005820600000000, 0.0096192100000000 ] - [ 0.0002652800000000, 0.0000336900000000, -0.0000020900000000 ] - [ -0.0000306100000000, -0.0001660600000000, 0.0015979200000000 ] - [ -0.0000246200000000, 0.0001678000000000, -0.0001969200000000 ] - [ 0.0000258000000000, 0.0001654200000000, -0.0000104700000000 ] - [ 0.0000257400000000, -0.0001646700000000, -0.0000052000000000 ] - [ 0.0003006200000000, 0.0001085300000000, 0.0002230100000000 ] - [ 0.0003215300000000, -0.0001226600000000, -0.0011355600000000 ] - [ -0.0003019000000000, -0.0001072000000000, 0.0000104900000000 ] - [ -0.0003020400000000, 0.0001098200000000, 0.0001077500000000 ] - [ 0.0005092700000000, 0.0002691200000000, -0.0001188300000000 ] - [ 0.0003583100000000, 0.0000552400000000, -0.0002250900000000 ] - [ 0.0030667600000000, -0.0002062100000000, 0.0105638500000000 ] - [ -0.0004680900000000, 0.0000067800000000, -0.0000497900000000 ] - [ 0.0002902700000000, 0.0000493100000000, 0.0002430300000000 ] - [ 0.0005477100000000, -0.0000186300000000, -0.0004819500000000 ] - [ -0.0011043700000000, 0.0008936900000000, 0.0011104600000000 ] - [ 0.0038421400000000, 0.0035311500000000, -0.0035716500000000 ] - [ 0.0005241100000000, -0.0010263600000000, 0.0006958800000000 ] - [ -0.0045521600000000, -0.0034636600000000, -0.0027729800000000 ] - [ 0.0002906300000000, 0.0000912900000000, -0.0001774200000000 ] - [ 0.0000332200000000, -0.0001202100000000, -0.0000593400000000 ] - [ 0.0003423800000000, 0.0000907700000000, 0.0002596700000000 ] - [ 0.0001938200000000, -0.0004092700000000, -0.0006001900000000 ] - [ -0.0002343200000000, -0.0001477000000000, 0.0004345900000000 ] - [ 0.0002648200000000, -0.0000316500000000, -0.0000007800000000 ] - [ -0.0003087700000000, 0.0001031400000000, -0.0001988100000000 ] - [ -0.0003322100000000, -0.0001168400000000, 0.0139618400000000 ] - [ 0.0003115000000000, -0.0001068700000000, -0.0000047100000000 ] - [ 0.0003117800000000, 0.0001036600000000, -0.0001879000000000 ] - [ 0.0003072800000000, 0.0002737200000000, -0.0138851800000000 ] - [ 0.0003251400000000, -0.0002806800000000, 0.0001096200000000 ] - [ -0.0003255400000000, -0.0002795200000000, 0.0006647200000000 ] - [ -0.0003253800000000, 0.0002785100000000, -0.0000189400000000 ] - [ -0.0003107500000000, -0.0004259600000000, -0.0334007100000000 ] - [ -0.0001501000000000, 0.0002118900000000, -0.0025395900000000 ] - [ 0.0001443100000000, 0.0002191800000000, 0.0005107800000000 ] - [ 0.0001457000000000, -0.0002234100000000, -0.0000829100000000 ] - [ -0.0001476300000000, 0.0000223400000000, 0.0008177500000000 ] - [ -0.0001481300000000, -0.0000316800000000, 0.0199218900000000 ] - [ 0.0001439000000000, -0.0000246700000000, 0.0000051900000000 ] - [ 0.0001453300000000, 0.0000237200000000, 0.0001319200000000 ] - [ 0.0001851500000000, -0.0000778200000000, 0.0002163800000000 ] - [ 0.0002191200000000, 0.0001749200000000, -0.0002106300000000 ] - [ -0.0001130500000000, 0.0002055700000000, 0.0001986100000000 ] - [ -0.0024434200000000, 0.0035002100000000, 0.0000314500000000 ] - [ -0.0002397400000000, -0.0000524300000000, -0.0002333200000000 ] - [ 0.0020848200000000, -0.0036219600000000, 0.0004699400000000 ] - [ 0.0001679000000000, -0.0000803400000000, -0.0002162600000000 ] - [ 0.0001346900000000, -0.0000166800000000, 0.0002251500000000 ] - [ 0.0000546700000000, -0.0002721400000000, -0.0000802000000000 ] - [ -0.0000392300000000, 0.0002942500000000, 0.0000419100000000 ] - [ -0.0007112300000000, -0.0024040000000000, -0.0005469800000000 ] - [ 0.0008893300000000, -0.0035046800000000, 0.0000858800000000 ] - [ 0.0007458700000000, 0.0029209800000000, -0.0004426200000000 ] - [ -0.0008215000000000, 0.0029541500000000, 0.0000064000000000 ] - [ -0.0001116300000000, -0.0002533600000000, 0.0000137200000000 ] - [ -0.0000179500000000, 0.0002257100000000, -0.0000521800000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006065400000000, -0.0008349500000000, 0.0000000000000000 ] - [ 0.0010827900000000, 0.0006333000000000, 0.0000000000000000 ] - [ -0.0006199500000000, 0.0006917600000000, 0.0000000000000000 ] - [ -0.0004928800000000, -0.0009330600000000, 0.0000000000000000 ] - [ -0.0001671300000000, 0.0000964900000000, 0.0000000000000000 ] - [ 0.0013675100000000, 0.0015288300000000, 0.0000000000000000 ] - [ 0.0002209200000000, -0.0005441700000000, 0.0000000000000000 ] - [ 0.0001366300000000, -0.0000198700000000, 0.0000000000000000 ] - [ -0.0000744400000000, -0.0002664600000000, -0.0000873900000000 ] - [ 0.0001925400000000, -0.0003303700000000, 0.0004987000000000 ] - [ -0.0000744400000000, -0.0002664600000000, 0.0000873900000000 ] - [ 0.0001925400000000, -0.0003303700000000, -0.0004987000000000 ] - [ 0.0020869300000000, -0.0006745900000000, 0.0000000000000000 ] - [ 0.0001147200000000, -0.0005569500000000, 0.0000000000000000 ] - [ -0.0007086000000000, -0.0000699000000000, 0.0000000000000000 ] - [ -0.0002746900000000, 0.0004805700000000, 0.0000000000000000 ] - [ 0.0196848000000000, 0.0246322500000000, 0.0000000000000000 ] - [ -0.0004052800000000, 0.0004177200000000, 0.0000000000000000 ] - [ -0.0003417400000000, 0.0000730600000000, -0.0001573800000000 ] - [ 0.0002111400000000, -0.0001696100000000, 0.0000000000000000 ] - [ 0.0005852300000000, -0.0008169100000000, 0.0000000000000000 ] - [ -0.0008731000000000, -0.0000665900000000, 0.0000000000000000 ] - [ 0.0000660300000000, -0.0000112700000000, 0.0000000000000000 ] - [ 0.0000327500000000, -0.0002983700000000, 0.0000000000000000 ] - [ -0.0007928300000000, 0.0012467200000000, 0.0000000000000000 ] - [ 0.0002440900000000, -0.0000016900000000, 0.0000000000000000 ] - [ -0.0003807100000000, -0.0004070500000000, 0.0000000000000000 ] - [ -0.0002558700000000, -0.0000455600000000, 0.0000000000000000 ] - [ 0.0002737700000000, -0.0002821300000000, 0.0002763500000000 ] - [ 0.0005185800000000, -0.0001656500000000, -0.0002559600000000 ] - [ -0.0003417400000000, 0.0000730600000000, 0.0001573800000000 ] - [ 0.0017394400000000, -0.0017103800000000, -0.0037104700000000 ] - [ 0.0002866000000000, -0.0000788800000000, 0.0002560000000000 ] - [ 0.0002826400000000, -0.0002291800000000, -0.0001834300000000 ] - [ 0.0271174700000000, -0.0078740200000000, 0.0207154500000000 ] - [ -0.0004547300000000, 0.0004211600000000, 0.0001507800000000 ] - [ 0.0271174700000000, -0.0078740200000000, -0.0207154500000000 ] - [ -0.0004547300000000, 0.0004211600000000, -0.0001507800000000 ] - [ 0.0002866000000000, -0.0000788800000000, -0.0002560000000000 ] - [ 0.0002826400000000, -0.0002291800000000, 0.0001834300000000 ] - [ 0.0005185800000000, -0.0001656500000000, 0.0002559600000000 ] - [ 0.0002737700000000, -0.0002821300000000, -0.0002763500000000 ] - [ 0.0017394400000000, -0.0017103800000000, 0.0037104700000000 ] - [ 0.0003232700000000, -0.0003075000000000, 0.0000000000000000 ] - [ 0.0010947800000000, -0.0013239700000000, 0.0000000000000000 ] - [ 0.0000602700000000, 0.0002161700000000, 0.0000000000000000 ] - [ 0.0005390000000000, 0.0001081600000000, 0.0000000000000000 ] - [ 0.0003668700000000, 0.0004669100000000, 0.0000000000000000 ] - [ -0.0001520600000000, -0.0000065400000000, 0.0000000000000000 ] - [ 0.0028500400000000, -0.0002366200000000, 0.0000000000000000 ] - [ -0.0003731600000000, -0.0000407900000000, 0.0000000000000000 ] - [ -0.0002510400000000, 0.0002895700000000, 0.0000000000000000 ] - [ 0.0003234300000000, -0.0000534000000000, 0.0000000000000000 ] - [ -0.0111066700000000, 0.0024049200000000, 0.0000000000000000 ] - [ 0.0002015200000000, 0.0005715600000000, 0.0000000000000000 ] - [ 0.0000189000000000, 0.0001338900000000, 0.0000000000000000 ] - [ -0.0774687100000000, -0.0075172200000000, 0.0000000000000000 ] - [ -0.0004337400000000, -0.0013276400000000, 0.0000000000000000 ] - [ 0.0003222100000000, 0.0000607600000000, 0.0000000000000000 ] - [ 0.0000581300000000, 0.0002375200000000, 0.0000000000000000 ] - [ 0.0001257300000000, 0.0002580800000000, 0.0000498300000000 ] - [ 0.0001803300000000, 0.0002711000000000, -0.0002203200000000 ] - [ 0.0006904300000000, 0.0020357700000000, -0.0003818100000000 ] - [ -0.0000385100000000, 0.0000923300000000, -0.0000867600000000 ] - [ 0.0006904300000000, 0.0020357700000000, 0.0003818100000000 ] - [ -0.0000385100000000, 0.0000923300000000, 0.0000867600000000 ] - [ 0.0001257300000000, 0.0002580800000000, -0.0000498300000000 ] - [ 0.0001803300000000, 0.0002711000000000, 0.0002203200000000 ] - [ -0.0000561500000000, 0.0000683600000000, -0.0000389600000000 ] - [ 0.0000022300000000, 0.0005834400000000, 0.0000399400000000 ] - [ -0.0019865900000000, -0.0009172600000000, 0.0018362600000000 ] - [ 0.0026213400000000, -0.0009253900000000, 0.0019523000000000 ] - [ -0.0019865900000000, -0.0009172600000000, -0.0018362600000000 ] - [ 0.0026213400000000, -0.0009253900000000, -0.0019523000000000 ] - [ -0.0000561500000000, 0.0000683600000000, 0.0000389600000000 ] - [ 0.0000022300000000, 0.0005834400000000, -0.0000399400000000 ]- atom: 57 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007221300000000, -0.0007566400000000, 0.0000000000000000 ] - [ 0.0002499900000000, 0.0009608700000000, 0.0000000000000000 ] - [ -0.0007081000000000, 0.0009008000000000, 0.0000000000000000 ] - [ -0.0008370000000000, -0.0006560700000000, 0.0000000000000000 ] - [ -0.0001533400000000, 0.0004298000000000, 0.0000000000000000 ] - [ -0.0016933500000000, -0.0020652900000000, 0.0000000000000000 ] - [ 0.0001042400000000, 0.0000176300000000, 0.0000000000000000 ] - [ 0.0001893800000000, 0.0005517300000000, 0.0000000000000000 ] - [ 0.0000757800000000, 0.0002687100000000, -0.0001916800000000 ] - [ -0.0001949800000000, 0.0003412000000000, -0.0002122000000000 ] - [ 0.0000757800000000, 0.0002687100000000, 0.0001916800000000 ] - [ -0.0001949800000000, 0.0003412000000000, 0.0002122000000000 ] - [ -0.0016618700000000, 0.0018457400000000, 0.0000000000000000 ] - [ 0.0003223900000000, -0.0006225800000000, 0.0000000000000000 ] - [ 0.0002768800000000, -0.0011286400000000, 0.0000000000000000 ] - [ -0.0001620500000000, 0.0007018000000000, 0.0000000000000000 ] - [ -0.0199184200000000, -0.0240340200000000, 0.0000000000000000 ] - [ -0.0001315200000000, -0.0003430100000000, 0.0000000000000000 ] - [ -0.0003590200000000, 0.0000687800000000, -0.0003287500000000 ] - [ 0.0003188400000000, 0.0002344600000000, 0.0000000000000000 ] - [ -0.0006359400000000, 0.0004760900000000, 0.0000000000000000 ] - [ 0.0008007600000000, 0.0003720300000000, 0.0000000000000000 ] - [ -0.0000153500000000, 0.0003440600000000, 0.0000000000000000 ] - [ 0.0000202400000000, -0.0000323000000000, 0.0000000000000000 ] - [ 0.0013976100000000, -0.0010180500000000, 0.0000000000000000 ] - [ 0.0003601200000000, -0.0002153800000000, 0.0000000000000000 ] - [ -0.0002209300000000, 0.0001938200000000, 0.0000000000000000 ] - [ -0.0003481900000000, 0.0002624800000000, 0.0000000000000000 ] - [ 0.0004285600000000, 0.0001400700000000, 0.0002077300000000 ] - [ 0.0001823400000000, 0.0003121100000000, -0.0002310400000000 ] - [ -0.0003590200000000, 0.0000687800000000, 0.0003287500000000 ] - [ -0.0024548000000000, 0.0015647900000000, 0.0032144800000000 ] - [ 0.0002946400000000, 0.0002192600000000, 0.0001634600000000 ] - [ 0.0002985700000000, 0.0000915400000000, -0.0002377300000000 ] - [ -0.0282054700000000, 0.0079312900000000, -0.0210929500000000 ] - [ -0.0001277700000000, -0.0002863200000000, -0.0005670600000000 ] - [ -0.0282054700000000, 0.0079312900000000, 0.0210929500000000 ] - [ -0.0001277700000000, -0.0002863200000000, 0.0005670600000000 ] - [ 0.0002946400000000, 0.0002192600000000, -0.0001634600000000 ] - [ 0.0002985700000000, 0.0000915400000000, 0.0002377300000000 ] - [ 0.0001823400000000, 0.0003121100000000, 0.0002310400000000 ] - [ 0.0004285600000000, 0.0001400700000000, -0.0002077300000000 ] - [ -0.0024548000000000, 0.0015647900000000, -0.0032144800000000 ] - [ 0.0002060600000000, 0.0002456300000000, 0.0000000000000000 ] - [ -0.0017010500000000, 0.0014743600000000, 0.0000000000000000 ] - [ -0.0006863700000000, -0.0004281100000000, 0.0000000000000000 ] - [ 0.0000916400000000, -0.0003343200000000, 0.0000000000000000 ] - [ 0.0002555700000000, -0.0002598800000000, 0.0000000000000000 ] - [ 0.0008015100000000, 0.0005691300000000, 0.0000000000000000 ] - [ -0.0021584500000000, -0.0003242700000000, 0.0000000000000000 ] - [ -0.0002768100000000, -0.0005203100000000, 0.0000000000000000 ] - [ -0.0004004100000000, 0.0002643000000000, 0.0000000000000000 ] - [ -0.0006268800000000, -0.0003948100000000, 0.0000000000000000 ] - [ 0.0108053100000000, -0.0019451300000000, 0.0000000000000000 ] - [ 0.0000890700000000, -0.0001310100000000, 0.0000000000000000 ] - [ 0.0002742800000000, -0.0005811100000000, 0.0000000000000000 ] - [ 0.0778410200000000, 0.0065812900000000, 0.0000000000000000 ] - [ 0.0001498500000000, 0.0012810000000000, 0.0000000000000000 ] - [ -0.0000369000000000, -0.0001052800000000, 0.0000000000000000 ] - [ 0.0002314100000000, -0.0001927700000000, 0.0000000000000000 ] - [ 0.0002243600000000, -0.0004143900000000, 0.0003791200000000 ] - [ 0.0001726100000000, -0.0001169300000000, -0.0002121000000000 ] - [ -0.0010327000000000, -0.0018770400000000, 0.0008129800000000 ] - [ -0.0003139100000000, -0.0002485400000000, -0.0003453400000000 ] - [ -0.0010327000000000, -0.0018770400000000, -0.0008129800000000 ] - [ -0.0003139100000000, -0.0002485400000000, 0.0003453400000000 ] - [ 0.0002243600000000, -0.0004143900000000, -0.0003791200000000 ] - [ 0.0001726100000000, -0.0001169300000000, 0.0002121000000000 ] - [ -0.0000005000000000, -0.0005945700000000, -0.0000555600000000 ] - [ -0.0000593800000000, -0.0000634100000000, 0.0000542300000000 ] - [ 0.0020365500000000, 0.0014344000000000, -0.0019305700000000 ] - [ -0.0025325900000000, 0.0004200300000000, -0.0018450200000000 ] - [ 0.0020365500000000, 0.0014344000000000, 0.0019305700000000 ] - [ -0.0025325900000000, 0.0004200300000000, 0.0018450200000000 ] - [ -0.0000005000000000, -0.0005945700000000, 0.0000555600000000 ] - [ -0.0000593800000000, -0.0000634100000000, -0.0000542300000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006506100000000, -0.0011001500000000, 0.0000000000000000 ] - [ 0.0007509900000000, 0.0010725500000000, 0.0000000000000000 ] - [ -0.0007488800000000, 0.0005435000000000, 0.0000000000000000 ] - [ -0.0007372400000000, -0.0006771900000000, 0.0000000000000000 ] - [ -0.0009264500000000, 0.0000669800000000, 0.0000000000000000 ] - [ 0.0000856700000000, 0.0004687700000000, 0.0000000000000000 ] - [ 0.0002401500000000, -0.0007569500000000, 0.0000000000000000 ] - [ 0.0001287000000000, -0.0001668000000000, 0.0000000000000000 ] - [ -0.0000655400000000, -0.0005610800000000, -0.0001240900000000 ] - [ 0.0005556800000000, 0.0000828900000000, 0.0001709400000000 ] - [ -0.0000655400000000, -0.0005610800000000, 0.0001240900000000 ] - [ 0.0005556800000000, 0.0000828900000000, -0.0001709400000000 ] - [ 0.0001769000000000, 0.0011311600000000, 0.0000000000000000 ] - [ -0.0000250700000000, -0.0006431800000000, 0.0000000000000000 ] - [ 0.0007541300000000, -0.0006364100000000, 0.0000000000000000 ] - [ -0.0002355100000000, 0.0004216700000000, 0.0000000000000000 ] - [ 0.0240043900000000, 0.0553905300000000, 0.0000000000000000 ] - [ -0.0019208800000000, 0.0024758500000000, 0.0000000000000000 ] - [ -0.0004421000000000, -0.0005522700000000, -0.0001920300000000 ] - [ 0.0001464400000000, -0.0005974500000000, 0.0000000000000000 ] - [ -0.0002992400000000, -0.0004270000000000, 0.0000000000000000 ] - [ 0.0021365800000000, 0.0028201000000000, 0.0000000000000000 ] - [ 0.0000692300000000, -0.0001416600000000, 0.0000000000000000 ] - [ 0.0001124500000000, -0.0005283600000000, 0.0000000000000000 ] - [ -0.0000226600000000, 0.0015720900000000, 0.0000000000000000 ] - [ 0.0003530300000000, -0.0007266200000000, 0.0000000000000000 ] - [ -0.0003210000000000, -0.0004736700000000, 0.0000000000000000 ] - [ -0.0002112800000000, -0.0002148100000000, 0.0000000000000000 ] - [ 0.0001973200000000, -0.0004570800000000, 0.0003622100000000 ] - [ 0.0004102900000000, -0.0001584800000000, -0.0000772900000000 ] - [ -0.0004421000000000, -0.0005522700000000, 0.0001920300000000 ] - [ -0.0013377400000000, 0.0004659300000000, -0.0002076200000000 ] - [ 0.0002680700000000, -0.0002429600000000, 0.0002952800000000 ] - [ 0.0002809500000000, -0.0003393600000000, -0.0001373900000000 ] - [ -0.0076738000000000, 0.0095272000000000, -0.0085447400000000 ] - [ -0.0009505800000000, -0.0001092400000000, 0.0005646000000000 ] - [ -0.0076738000000000, 0.0095272000000000, 0.0085447400000000 ] - [ -0.0009505800000000, -0.0001092400000000, -0.0005646000000000 ] - [ 0.0002680700000000, -0.0002429600000000, -0.0002952800000000 ] - [ 0.0002809500000000, -0.0003393600000000, 0.0001373900000000 ] - [ 0.0004102900000000, -0.0001584800000000, 0.0000772900000000 ] - [ 0.0001973200000000, -0.0004570800000000, -0.0003622100000000 ] - [ -0.0013377400000000, 0.0004659300000000, 0.0002076200000000 ] - [ 0.0003986200000000, -0.0005395100000000, 0.0000000000000000 ] - [ -0.0064986800000000, 0.0012816000000000, 0.0000000000000000 ] - [ -0.0002213500000000, 0.0007924100000000, 0.0000000000000000 ] - [ 0.0002482300000000, 0.0005308500000000, 0.0000000000000000 ] - [ 0.0004415200000000, 0.0008201200000000, 0.0000000000000000 ] - [ 0.0002167600000000, 0.0009728800000000, 0.0000000000000000 ] - [ -0.0019441200000000, 0.0007058100000000, 0.0000000000000000 ] - [ -0.0004297000000000, 0.0000498200000000, 0.0000000000000000 ] - [ -0.0003700400000000, 0.0004083900000000, 0.0000000000000000 ] - [ 0.0006067100000000, 0.0015351500000000, 0.0000000000000000 ] - [ 0.0019861600000000, -0.0018757700000000, 0.0000000000000000 ] - [ 0.0003270700000000, 0.0008616100000000, 0.0000000000000000 ] - [ 0.0000183900000000, 0.0002326700000000, 0.0000000000000000 ] - [ -0.0078575700000000, -0.0832329000000000, 0.0000000000000000 ] - [ 0.0011641600000000, -0.0014137400000000, 0.0000000000000000 ] - [ 0.0002276600000000, 0.0003871200000000, 0.0000000000000000 ] - [ -0.0000705700000000, 0.0003887100000000, 0.0000000000000000 ] - [ 0.0000260300000000, 0.0006006800000000, -0.0007074600000000 ] - [ 0.0001946200000000, 0.0004294500000000, -0.0002344700000000 ] - [ 0.0013490300000000, -0.0010906600000000, -0.0015516000000000 ] - [ -0.0001079400000000, 0.0003348900000000, -0.0001708300000000 ] - [ 0.0013490300000000, -0.0010906600000000, 0.0015516000000000 ] - [ -0.0001079400000000, 0.0003348900000000, 0.0001708300000000 ] - [ 0.0000260300000000, 0.0006006800000000, 0.0007074600000000 ] - [ 0.0001946200000000, 0.0004294500000000, 0.0002344700000000 ] - [ -0.0001057300000000, 0.0003449700000000, -0.0000887400000000 ] - [ 0.0000231900000000, 0.0008647100000000, 0.0000027500000000 ] - [ -0.0022008500000000, 0.0025012400000000, 0.0028998300000000 ] - [ 0.0033769500000000, -0.0020299100000000, 0.0032233700000000 ] - [ -0.0022008500000000, 0.0025012400000000, -0.0028998300000000 ] - [ 0.0033769500000000, -0.0020299100000000, -0.0032233700000000 ] - [ -0.0001057300000000, 0.0003449700000000, 0.0000887400000000 ] - [ 0.0000231900000000, 0.0008647100000000, -0.0000027500000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006790700000000, -0.0004903100000000, 0.0000000000000000 ] - [ 0.0005781600000000, 0.0005161400000000, 0.0000000000000000 ] - [ -0.0005803200000000, 0.0010501700000000, 0.0000000000000000 ] - [ -0.0005922400000000, -0.0009182600000000, 0.0000000000000000 ] - [ 0.0006100100000000, 0.0004505900000000, 0.0000000000000000 ] - [ -0.0004059800000000, -0.0009926900000000, 0.0000000000000000 ] - [ 0.0000844100000000, 0.0002317500000000, 0.0000000000000000 ] - [ 0.0001962600000000, 0.0006983000000000, 0.0000000000000000 ] - [ 0.0000670200000000, 0.0005647800000000, -0.0001549900000000 ] - [ -0.0005608000000000, -0.0000943100000000, 0.0001096600000000 ] - [ 0.0000670200000000, 0.0005647800000000, 0.0001549900000000 ] - [ -0.0005608000000000, -0.0000943100000000, -0.0001096600000000 ] - [ 0.0002633000000000, 0.0000232600000000, 0.0000000000000000 ] - [ 0.0004622600000000, -0.0005368900000000, 0.0000000000000000 ] - [ -0.0012185200000000, -0.0005537900000000, 0.0000000000000000 ] - [ -0.0002012500000000, 0.0007614000000000, 0.0000000000000000 ] - [ -0.0232201700000000, -0.0535581200000000, 0.0000000000000000 ] - [ 0.0013848800000000, -0.0024036300000000, 0.0000000000000000 ] - [ -0.0002577800000000, 0.0006944300000000, -0.0002954600000000 ] - [ 0.0003840900000000, 0.0006683900000000, 0.0000000000000000 ] - [ 0.0002451400000000, 0.0000853900000000, 0.0000000000000000 ] - [ -0.0022058800000000, -0.0024961500000000, 0.0000000000000000 ] - [ -0.0000193400000000, 0.0004759100000000, 0.0000000000000000 ] - [ -0.0000646300000000, 0.0002006200000000, 0.0000000000000000 ] - [ 0.0006311200000000, -0.0013603400000000, 0.0000000000000000 ] - [ 0.0002504200000000, 0.0005100500000000, 0.0000000000000000 ] - [ -0.0002850800000000, 0.0002608800000000, 0.0000000000000000 ] - [ -0.0003932600000000, 0.0004327100000000, 0.0000000000000000 ] - [ 0.0005051200000000, 0.0003160600000000, 0.0001217200000000 ] - [ 0.0002924600000000, 0.0003017000000000, -0.0004099500000000 ] - [ -0.0002577800000000, 0.0006944300000000, 0.0002954600000000 ] - [ 0.0006527500000000, -0.0005895400000000, -0.0003107700000000 ] - [ 0.0003139100000000, 0.0003850200000000, 0.0001245700000000 ] - [ 0.0003002400000000, 0.0002020000000000, -0.0002838100000000 ] - [ 0.0070973100000000, -0.0097029000000000, 0.0089125900000000 ] - [ 0.0003669600000000, 0.0002416600000000, -0.0009771400000000 ] - [ 0.0070973100000000, -0.0097029000000000, -0.0089125900000000 ] - [ 0.0003669600000000, 0.0002416600000000, 0.0009771400000000 ] - [ 0.0003139100000000, 0.0003850200000000, -0.0001245700000000 ] - [ 0.0003002400000000, 0.0002020000000000, 0.0002838100000000 ] - [ 0.0002924600000000, 0.0003017000000000, 0.0004099500000000 ] - [ 0.0005051200000000, 0.0003160600000000, -0.0001217200000000 ] - [ 0.0006527500000000, -0.0005895400000000, 0.0003107700000000 ] - [ 0.0001300400000000, 0.0004787900000000, 0.0000000000000000 ] - [ 0.0059697600000000, -0.0010574200000000, 0.0000000000000000 ] - [ -0.0004053800000000, -0.0010072600000000, 0.0000000000000000 ] - [ 0.0003697100000000, -0.0007430300000000, 0.0000000000000000 ] - [ 0.0001800200000000, -0.0006152000000000, 0.0000000000000000 ] - [ 0.0004325900000000, -0.0004085500000000, 0.0000000000000000 ] - [ 0.0026040700000000, -0.0013000400000000, 0.0000000000000000 ] - [ -0.0002199200000000, -0.0006121200000000, 0.0000000000000000 ] - [ -0.0002791900000000, 0.0001573000000000, 0.0000000000000000 ] - [ -0.0009142100000000, -0.0019772500000000, 0.0000000000000000 ] - [ -0.0023616400000000, 0.0023533400000000, 0.0000000000000000 ] - [ -0.0000374800000000, -0.0004231500000000, 0.0000000000000000 ] - [ 0.0002729400000000, -0.0006788600000000, 0.0000000000000000 ] - [ 0.0062578300000000, 0.0814384400000000, 0.0000000000000000 ] - [ -0.0014444100000000, 0.0013703900000000, 0.0000000000000000 ] - [ 0.0000618700000000, -0.0004362100000000, 0.0000000000000000 ] - [ 0.0003604700000000, -0.0003445300000000, 0.0000000000000000 ] - [ 0.0003317600000000, -0.0007694400000000, 0.0011591100000000 ] - [ 0.0001577900000000, -0.0002764000000000, -0.0001980700000000 ] - [ -0.0017183200000000, 0.0012701400000000, 0.0020033600000000 ] - [ -0.0002450700000000, -0.0004919500000000, -0.0002619900000000 ] - [ -0.0017183200000000, 0.0012701400000000, -0.0020033600000000 ] - [ -0.0002450700000000, -0.0004919500000000, 0.0002619900000000 ] - [ 0.0003317600000000, -0.0007694400000000, -0.0011591100000000 ] - [ 0.0001577900000000, -0.0002764000000000, 0.0001980700000000 ] - [ 0.0000495800000000, -0.0008729600000000, -0.0000047500000000 ] - [ -0.0000804100000000, -0.0003461200000000, 0.0000921000000000 ] - [ 0.0022432800000000, -0.0019560200000000, -0.0029645000000000 ] - [ -0.0032955500000000, 0.0014988600000000, -0.0031140800000000 ] - [ 0.0022432800000000, -0.0019560200000000, 0.0029645000000000 ] - [ -0.0032955500000000, 0.0014988600000000, 0.0031140800000000 ] - [ 0.0000495800000000, -0.0008729600000000, 0.0000047500000000 ] - [ -0.0000804100000000, -0.0003461200000000, -0.0000921000000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0006640800000000, -0.0007957600000000, -0.0000640800000000 ] - [ 0.0006662300000000, 0.0007960500000000, 0.0002662600000000 ] - [ -0.0006637500000000, 0.0007962900000000, -0.0000067200000000 ] - [ -0.0006644500000000, -0.0007929800000000, -0.0004900800000000 ] - [ -0.0001515500000000, 0.0002522800000000, -0.0003290600000000 ] - [ -0.0001656900000000, -0.0002735100000000, -0.0021394300000000 ] - [ 0.0001625600000000, -0.0002626400000000, -0.0000042500000000 ] - [ 0.0001629600000000, 0.0002667200000000, -0.0000126200000000 ] - [ -0.0000277500000000, 0.0000224700000000, -0.0001402000000000 ] - [ 0.0001175500000000, 0.0002246100000000, -0.0003175300000000 ] - [ 0.0000289600000000, -0.0000191900000000, 0.0001384300000000 ] - [ -0.0001170200000000, -0.0002155000000000, -0.0005978500000000 ] - [ 0.0002183800000000, 0.0005914900000000, 0.0003882000000000 ] - [ 0.0002186700000000, -0.0005893700000000, 0.0000168000000000 ] - [ -0.0002167300000000, -0.0005919800000000, 0.0005564400000000 ] - [ -0.0002182300000000, 0.0005916600000000, 0.0000128400000000 ] - [ -0.0002980500000000, -0.0000658500000000, 0.0058137700000000 ] - [ -0.0002739300000000, 0.0000408200000000, -0.0002753900000000 ] - [ -0.0004019500000000, 0.0001884300000000, -0.0002018100000000 ] - [ 0.0002651300000000, 0.0000339400000000, 0.0000008200000000 ] - [ -0.0000294500000000, -0.0001633000000000, 0.0001763700000000 ] - [ -0.0000426000000000, 0.0001495300000000, -0.0008631800000000 ] - [ 0.0000252000000000, 0.0001669300000000, 0.0000019400000000 ] - [ 0.0000261600000000, -0.0001641500000000, 0.0000663500000000 ] - [ 0.0003136200000000, 0.0001113200000000, -0.0005247000000000 ] - [ 0.0003025100000000, -0.0001080600000000, -0.0003314800000000 ] - [ -0.0003014000000000, -0.0001062200000000, -0.0000737300000000 ] - [ -0.0003022500000000, 0.0001089300000000, 0.0000008200000000 ] - [ 0.0003521900000000, -0.0000628700000000, 0.0002416700000000 ] - [ 0.0002514500000000, 0.0001636400000000, -0.0003719000000000 ] - [ -0.0002990500000000, -0.0000470300000000, 0.0002831400000000 ] - [ 0.0019185300000000, -0.0014167800000000, -0.0060723900000000 ] - [ 0.0002902100000000, 0.0000881200000000, 0.0001507700000000 ] - [ 0.0002955300000000, -0.0000683900000000, -0.0002164000000000 ] - [ 0.0217083900000000, -0.0092135900000000, 0.0241534700000000 ] - [ -0.0007272200000000, -0.0001920200000000, 0.0006581800000000 ] - [ -0.0232869200000000, 0.0093650000000000, 0.0248287700000000 ] - [ 0.0001452600000000, 0.0003221500000000, 0.0010770800000000 ] - [ 0.0002907200000000, 0.0000535600000000, -0.0002688800000000 ] - [ 0.0002856600000000, -0.0000684500000000, 0.0002048300000000 ] - [ 0.0004474600000000, -0.0000142700000000, 0.0001160700000000 ] - [ 0.0003500900000000, -0.0000783900000000, -0.0002421600000000 ] - [ -0.0026038100000000, 0.0012508000000000, -0.0055611500000000 ] - [ 0.0002643900000000, -0.0000302400000000, -0.0000050000000000 ] - [ -0.0003131100000000, 0.0001043000000000, 0.0019139600000000 ] - [ -0.0003133600000000, -0.0001067700000000, 0.0000673500000000 ] - [ 0.0003113300000000, -0.0001101600000000, 0.0002681300000000 ] - [ 0.0003110300000000, 0.0001026200000000, -0.0000058900000000 ] - [ 0.0003283200000000, 0.0002817200000000, -0.0001204500000000 ] - [ 0.0003581000000000, -0.0002951800000000, 0.0054388800000000 ] - [ -0.0003250400000000, -0.0002809900000000, 0.0000173200000000 ] - [ -0.0003262400000000, 0.0002787600000000, 0.0000252700000000 ] - [ -0.0001537100000000, -0.0002235000000000, 0.0008175800000000 ] - [ -0.0001745200000000, 0.0002458000000000, 0.0199225500000000 ] - [ 0.0001451000000000, 0.0002195800000000, 0.0000051600000000 ] - [ 0.0001476800000000, -0.0002252600000000, 0.0001323900000000 ] - [ 0.0008800000000000, -0.0002258700000000, -0.0691061900000000 ] - [ -0.0001388200000000, -0.0000208000000000, -0.0011165100000000 ] - [ 0.0001435800000000, -0.0000248000000000, 0.0000282100000000 ] - [ 0.0001450200000000, 0.0000219400000000, 0.0000017700000000 ] - [ 0.0001175300000000, -0.0000853800000000, 0.0001368100000000 ] - [ 0.0001790900000000, 0.0000786100000000, -0.0002129900000000 ] - [ -0.0016391000000000, -0.0033224000000000, 0.0007192600000000 ] - [ -0.0001601200000000, -0.0001608900000000, -0.0001947300000000 ] - [ 0.0012821900000000, 0.0034715400000000, 0.0002904700000000 ] - [ -0.0001939300000000, 0.0000031200000000, 0.0002383500000000 ] - [ 0.0002341100000000, -0.0000743700000000, -0.0002924400000000 ] - [ 0.0001735900000000, 0.0000745700000000, 0.0002189800000000 ] - [ -0.0000262500000000, -0.0002629200000000, -0.0000504900000000 ] - [ -0.0000365600000000, 0.0002500900000000, 0.0000430300000000 ] - [ 0.0007834400000000, 0.0036473600000000, 0.0004210200000000 ] - [ -0.0019592000000000, 0.0012228400000000, -0.0000441300000000 ] - [ -0.0007207100000000, -0.0031099900000000, 0.0005297400000000 ] - [ 0.0020119000000000, -0.0017206000000000, -0.0001282700000000 ] - [ -0.0000302700000000, -0.0002648300000000, 0.0000438300000000 ] - [ -0.0000211700000000, 0.0002677100000000, -0.0000510000000000 ]- atom: 61 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006682000000000, -0.0007831300000000, 0.0000003300000000 ] - [ 0.0011786900000000, 0.0004027500000000, -0.0001421700000000 ] - [ -0.0006613900000000, 0.0008123000000000, 0.0000014800000000 ] - [ 0.0048333300000000, -0.0028865100000000, -0.0046238400000000 ] - [ -0.0001524000000000, 0.0002680900000000, -0.0000020100000000 ] - [ -0.0000859000000000, -0.0002231400000000, -0.0000138700000000 ] - [ 0.0002363200000000, -0.0000114100000000, -0.0000213800000000 ] - [ -0.0001682600000000, 0.0000726300000000, 0.0001495900000000 ] - [ 0.0000062000000000, 0.0000323300000000, -0.0001401600000000 ] - [ 0.0047887400000000, 0.0018637200000000, 0.0008620900000000 ] - [ 0.0000065700000000, 0.0000270200000000, 0.0001419400000000 ] - [ -0.0003598700000000, -0.0003746600000000, 0.0001813800000000 ] - [ -0.0002546000000000, -0.0000247800000000, 0.0002483800000000 ] - [ 0.0002343500000000, -0.0005685400000000, -0.0000001500000000 ] - [ 0.0079250500000000, -0.0026655000000000, 0.0066774400000000 ] - [ -0.0002254400000000, 0.0006092100000000, -0.0000006400000000 ] - [ -0.0002273400000000, 0.0000659200000000, -0.0000011800000000 ] - [ -0.0002610200000000, 0.0000525800000000, 0.0000039800000000 ] - [ -0.0003417100000000, 0.0000929600000000, -0.0002493600000000 ] - [ 0.0000406600000000, -0.0000692100000000, -0.0000328500000000 ] - [ -0.0000277000000000, -0.0001445900000000, 0.0000003100000000 ] - [ -0.0003043500000000, 0.0003846700000000, 0.0000219800000000 ] - [ 0.0000434600000000, 0.0001740100000000, -0.0000092900000000 ] - [ 0.0012912300000000, -0.0047223700000000, 0.0040625000000000 ] - [ 0.0000118800000000, -0.0000503300000000, 0.0001157400000000 ] - [ 0.0002972900000000, -0.0000870900000000, -0.0000003600000000 ] - [ 0.0015911900000000, -0.0037886100000000, -0.0035140600000000 ] - [ -0.0002870200000000, 0.0001207000000000, 0.0000133700000000 ] - [ 0.0003758200000000, -0.0000189000000000, 0.0002264400000000 ] - [ -0.0014886100000000, -0.0001424600000000, 0.0003877400000000 ] - [ -0.0003416900000000, 0.0000922600000000, 0.0002481500000000 ] - [ 0.0000553900000000, -0.0000919000000000, -0.0003579400000000 ] - [ 0.0003618300000000, -0.0000333300000000, 0.0002058200000000 ] - [ 0.0002220000000000, 0.0000140500000000, -0.0001668900000000 ] - [ -0.0001458400000000, 0.0000022400000000, 0.0002246800000000 ] - [ -0.0002802800000000, 0.0000805200000000, -0.0002076100000000 ] - [ -0.0001715700000000, 0.0000101600000000, -0.0001113400000000 ] - [ -0.0002770800000000, 0.0000978100000000, 0.0001998100000000 ] - [ 0.0008891600000000, 0.0030416400000000, 0.0003994500000000 ] - [ 0.0002039000000000, -0.0000090100000000, 0.0001839100000000 ] - [ -0.0005948500000000, 0.0005258200000000, 0.0006418400000000 ] - [ 0.0003502300000000, -0.0000239500000000, -0.0002254600000000 ] - [ 0.0001376800000000, -0.0002919900000000, 0.0004197900000000 ] - [ 0.0003504000000000, 0.0002450400000000, 0.0000389800000000 ] - [ -0.0012837900000000, 0.0024741000000000, -0.0021902300000000 ] - [ -0.0003148100000000, -0.0001500400000000, 0.0000008700000000 ] - [ 0.0050025800000000, 0.0002017700000000, -0.0021086800000000 ] - [ 0.0002755300000000, 0.0000601200000000, 0.0000021100000000 ] - [ 0.0003379400000000, 0.0002668700000000, -0.0000007700000000 ] - [ 0.0000773400000000, 0.0005420400000000, 0.0006468400000000 ] - [ -0.0003444700000000, -0.0003215100000000, -0.0000049800000000 ] - [ 0.0045108400000000, 0.0002455200000000, 0.0014099500000000 ] - [ -0.0001763100000000, -0.0002602500000000, 0.0000088900000000 ] - [ -0.0004565300000000, 0.0000620300000000, -0.0000429400000000 ] - [ 0.0002944500000000, 0.0000684600000000, -0.0000642100000000 ] - [ 0.0010251300000000, 0.0010055600000000, -0.0022589100000000 ] - [ -0.0001931400000000, -0.0001303900000000, -0.0000586800000000 ] - [ -0.0001390000000000, -0.0000425300000000, -0.0000027800000000 ] - [ 0.0010091900000000, 0.0015036100000000, 0.0014644700000000 ] - [ 0.0002817200000000, -0.0000446500000000, 0.0000174000000000 ] - [ -0.0314596200000000, 0.0089554600000000, -0.0024295100000000 ] - [ 0.0001806600000000, 0.0000525200000000, -0.0002234000000000 ] - [ 0.0026471800000000, -0.0037437000000000, 0.0005024200000000 ] - [ -0.0001805700000000, -0.0001033800000000, -0.0002229400000000 ] - [ 0.0010377000000000, -0.0014545400000000, -0.0003340500000000 ] - [ -0.0001820300000000, -0.0001010600000000, 0.0002234100000000 ] - [ -0.0026501500000000, 0.0015489700000000, -0.0004152100000000 ] - [ 0.0001802500000000, 0.0000531500000000, 0.0002227600000000 ] - [ -0.0000294200000000, -0.0001315300000000, -0.0000364600000000 ] - [ 0.0007106000000000, -0.0014464500000000, 0.0002925200000000 ] - [ 0.0000498400000000, 0.0002269100000000, -0.0000508900000000 ] - [ 0.0000207300000000, -0.0002952900000000, 0.0000873600000000 ] - [ 0.0000455500000000, 0.0002175500000000, 0.0000550400000000 ] - [ 0.0000182600000000, -0.0002829500000000, -0.0000912200000000 ] - [ -0.0001365200000000, -0.0003197400000000, 0.0000110500000000 ] - [ 0.0003982100000000, -0.0007336400000000, -0.0002457900000000 ]- atom: 61 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006597900000000, -0.0008080100000000, -0.0000001400000000 ] - [ 0.0001395000000000, 0.0011866100000000, 0.0001405000000000 ] - [ -0.0006654500000000, 0.0007795600000000, -0.0000014300000000 ] - [ -0.0062994300000000, 0.0013783700000000, 0.0048136100000000 ] - [ -0.0001723400000000, 0.0002611500000000, 0.0000021100000000 ] - [ -0.0002376900000000, -0.0003039600000000, 0.0000144700000000 ] - [ 0.0000896200000000, -0.0005152400000000, 0.0000230400000000 ] - [ 0.0004947200000000, 0.0004597100000000, -0.0001503800000000 ] - [ -0.0000058500000000, -0.0000313000000000, -0.0001374800000000 ] - [ -0.0045420600000000, -0.0017277600000000, -0.0006183400000000 ] - [ -0.0000056300000000, -0.0000265600000000, 0.0001358900000000 ] - [ 0.0003577300000000, 0.0003694700000000, -0.0004585000000000 ] - [ 0.0006880000000000, 0.0011965400000000, -0.0002361500000000 ] - [ 0.0002036700000000, -0.0006119300000000, 0.0000002900000000 ] - [ -0.0085308000000000, 0.0015733500000000, -0.0069102600000000 ] - [ -0.0002113200000000, 0.0005720200000000, 0.0000005600000000 ] - [ -0.0003006700000000, -0.0001286300000000, 0.0000013400000000 ] - [ -0.0002683200000000, 0.0000127200000000, -0.0000037600000000 ] - [ -0.0003588500000000, 0.0000516200000000, -0.0002350900000000 ] - [ 0.0004888000000000, 0.0001364400000000, 0.0000319300000000 ] - [ -0.0000232300000000, -0.0001858700000000, -0.0000001200000000 ] - [ 0.0002527600000000, -0.0000510300000000, -0.0000250000000000 ] - [ 0.0000081600000000, 0.0001570800000000, 0.0000086000000000 ] - [ -0.0012193100000000, 0.0043208300000000, -0.0039844300000000 ] - [ 0.0005918800000000, 0.0002687800000000, -0.0001141800000000 ] - [ 0.0003070500000000, -0.0001280600000000, 0.0000004200000000 ] - [ -0.0021372600000000, 0.0034958700000000, 0.0034164300000000 ] - [ -0.0003167400000000, 0.0000950700000000, -0.0000127300000000 ] - [ 0.0003267200000000, -0.0001248300000000, 0.0002576900000000 ] - [ 0.0022191700000000, 0.0002973200000000, -0.0008904300000000 ] - [ -0.0003588600000000, 0.0000521900000000, 0.0002363100000000 ] - [ -0.0007542900000000, -0.0000549800000000, -0.0001278400000000 ] - [ 0.0002182500000000, 0.0001755400000000, 0.0002099900000000 ] - [ 0.0003606900000000, -0.0001533800000000, -0.0002541600000000 ] - [ -0.0004334200000000, -0.0001404300000000, 0.0001958500000000 ] - [ -0.0002999300000000, 0.0000592900000000, -0.0002132000000000 ] - [ -0.0004088700000000, -0.0001501300000000, -0.0003075100000000 ] - [ -0.0003030800000000, 0.0000420000000000, 0.0002207500000000 ] - [ -0.0003036000000000, -0.0029561700000000, -0.0008316200000000 ] - [ 0.0003777300000000, -0.0001287500000000, 0.0002377500000000 ] - [ 0.0013003400000000, -0.0003800400000000, -0.0001644200000000 ] - [ 0.0003517700000000, -0.0001190800000000, -0.0002584800000000 ] - [ -0.0008367100000000, 0.0001424300000000, 0.0000669500000000 ] - [ 0.0001802000000000, -0.0003093200000000, -0.0000399400000000 ] - [ 0.0006535200000000, -0.0022510100000000, 0.0021781300000000 ] - [ -0.0003072700000000, -0.0000609700000000, -0.0000010400000000 ] - [ -0.0043696100000000, -0.0004090300000000, 0.0020740400000000 ] - [ 0.0003471800000000, 0.0001491700000000, -0.0000019900000000 ] - [ 0.0003131200000000, 0.0002919000000000, 0.0000009000000000 ] - [ 0.0005718200000000, -0.0010968900000000, -0.0006427300000000 ] - [ -0.0003054300000000, -0.0002378400000000, 0.0000050500000000 ] - [ -0.0051441700000000, 0.0003151900000000, -0.0013598600000000 ] - [ -0.0001146500000000, -0.0001841700000000, -0.0000089000000000 ] - [ 0.0001607600000000, 0.0003798700000000, 0.0000417400000000 ] - [ -0.0000033700000000, 0.0003744900000000, 0.0000628700000000 ] - [ -0.0007240700000000, -0.0014618300000000, 0.0022699900000000 ] - [ -0.0000971200000000, 0.0001747000000000, 0.0000576400000000 ] - [ -0.0001489100000000, -0.0000051100000000, 0.0000029100000000 ] - [ -0.0007137300000000, -0.0015638500000000, -0.0014573300000000 ] - [ 0.0000065100000000, 0.0000917000000000, -0.0000168400000000 ] - [ 0.0317005700000000, -0.0092334400000000, 0.0029669300000000 ] - [ 0.0001726300000000, 0.0001015800000000, -0.0002098500000000 ] - [ -0.0029978700000000, 0.0039285700000000, -0.0000715000000000 ] - [ -0.0001717100000000, -0.0000526500000000, -0.0002097800000000 ] - [ -0.0013832800000000, 0.0016015800000000, -0.0000986300000000 ] - [ -0.0001704000000000, -0.0000548100000000, 0.0002093500000000 ] - [ 0.0030039100000000, -0.0017002700000000, -0.0000157300000000 ] - [ 0.0001729600000000, 0.0001021000000000, 0.0002099600000000 ] - [ -0.0000249900000000, -0.0003875000000000, -0.0000591600000000 ] - [ -0.0007715200000000, 0.0019547200000000, -0.0001981900000000 ] - [ 0.0000081300000000, 0.0002958000000000, -0.0000432000000000 ] - [ 0.0000367400000000, -0.0002288800000000, 0.0000071300000000 ] - [ 0.0000124800000000, 0.0003049200000000, 0.0000394000000000 ] - [ 0.0000397500000000, -0.0002404600000000, -0.0000032800000000 ] - [ 0.0000807000000000, -0.0002061500000000, 0.0000833100000000 ] - [ -0.0004555200000000, 0.0012601100000000, 0.0001497600000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006355100000000, -0.0010181000000000, 0.0000000700000000 ] - [ 0.0003748400000000, 0.0057107300000000, 0.0033573600000000 ] - [ -0.0006852800000000, 0.0005665500000000, 0.0000068500000000 ] - [ -0.0018155900000000, 0.0003157500000000, 0.0003471400000000 ] - [ -0.0001200100000000, -0.0001488500000000, 0.0000156400000000 ] - [ -0.0002476300000000, -0.0008006400000000, -0.0000429900000000 ] - [ 0.0002036000000000, -0.0006274500000000, 0.0000442800000000 ] - [ -0.0000127300000000, 0.0004556700000000, 0.0003911900000000 ] - [ -0.0000650200000000, -0.0004529900000000, -0.0001352400000000 ] - [ 0.0017727000000000, 0.0034487300000000, 0.0007921000000000 ] - [ -0.0000635700000000, -0.0004736800000000, 0.0001404200000000 ] - [ -0.0001069300000000, 0.0015934000000000, -0.0001108300000000 ] - [ 0.0007274500000000, 0.0060079100000000, -0.0038901700000000 ] - [ 0.0001564100000000, -0.0007744700000000, -0.0000008300000000 ] - [ -0.0029177500000000, 0.0007160800000000, -0.0008024800000000 ] - [ -0.0002884900000000, 0.0004019700000000, -0.0000033000000000 ] - [ -0.0004160900000000, -0.0005665900000000, 0.0000170300000000 ] - [ -0.0001593700000000, -0.0004670700000000, -0.0000072200000000 ] - [ -0.0004836900000000, -0.0002627500000000, -0.0001357700000000 ] - [ -0.0000977900000000, -0.0001239800000000, -0.0004060900000000 ] - [ 0.0000085500000000, -0.0004350000000000, -0.0000013100000000 ] - [ 0.0001749700000000, -0.0004486000000000, -0.0001117000000000 ] - [ 0.0000612300000000, -0.0001423100000000, -0.0000440100000000 ] - [ -0.0022800800000000, 0.0077852400000000, -0.0059327400000000 ] - [ 0.0006968800000000, -0.0001945100000000, 0.0001629000000000 ] - [ 0.0003837700000000, -0.0003927800000000, -0.0000015500000000 ] - [ -0.0019866700000000, 0.0059661700000000, 0.0045746500000000 ] - [ -0.0002215100000000, -0.0002111300000000, 0.0000531800000000 ] - [ 0.0002443300000000, -0.0004269900000000, 0.0003327300000000 ] - [ 0.0003456800000000, 0.0011530600000000, -0.0001981300000000 ] - [ -0.0004857300000000, -0.0002603300000000, 0.0001374300000000 ] - [ -0.0007581700000000, -0.0001540200000000, -0.0002527800000000 ] - [ 0.0005618500000000, 0.0004521100000000, 0.0001785500000000 ] - [ 0.0002598200000000, -0.0003936700000000, -0.0001728600000000 ] - [ -0.0004222100000000, -0.0004093900000000, 0.0001895800000000 ] - [ -0.0003035700000000, -0.0001968300000000, -0.0002778300000000 ] - [ -0.0004187300000000, -0.0004302500000000, -0.0001628000000000 ] - [ -0.0003064400000000, -0.0002020300000000, 0.0002799200000000 ] - [ 0.0008374800000000, 0.0100341300000000, -0.0000792000000000 ] - [ 0.0002875100000000, -0.0003108200000000, 0.0001987300000000 ] - [ 0.0002648900000000, 0.0016045300000000, 0.0013366900000000 ] - [ 0.0002009400000000, -0.0003981900000000, -0.0003384200000000 ] - [ -0.0003863200000000, -0.0000263000000000, 0.0004686700000000 ] - [ 0.0003585100000000, -0.0004725100000000, 0.0000206900000000 ] - [ 0.0012583900000000, 0.0009158400000000, -0.0016279600000000 ] - [ -0.0002149400000000, 0.0005071500000000, 0.0000045400000000 ] - [ -0.0013289500000000, -0.0055800600000000, -0.0013856300000000 ] - [ 0.0003943900000000, 0.0007216100000000, -0.0000077300000000 ] - [ 0.0002523500000000, 0.0005664300000000, -0.0000038700000000 ] - [ 0.0009402800000000, -0.0003205800000000, 0.0006476500000000 ] - [ -0.0004043500000000, 0.0000281000000000, 0.0000048700000000 ] - [ -0.0032489700000000, -0.0035407600000000, 0.0004856200000000 ] - [ 0.0000210200000000, 0.0003408800000000, 0.0000017700000000 ] - [ -0.0000668900000000, 0.0010769700000000, 0.0001001900000000 ] - [ 0.0003068500000000, 0.0007842500000000, -0.0001284600000000 ] - [ 0.0025012000000000, -0.0014088100000000, -0.0035427300000000 ] - [ 0.0001921400000000, 0.0007065500000000, -0.0000074400000000 ] - [ -0.0003383600000000, 0.0003308000000000, 0.0000014600000000 ] - [ 0.0020935600000000, -0.0012003300000000, 0.0033814500000000 ] - [ -0.0000260200000000, 0.0004363300000000, 0.0000816100000000 ] - [ 0.0092597500000000, -0.0378562100000000, 0.0024537000000000 ] - [ 0.0002008600000000, 0.0003972600000000, -0.0002636000000000 ] - [ -0.0040350000000000, 0.0034758500000000, 0.0000702600000000 ] - [ -0.0001509800000000, 0.0002436200000000, -0.0001833200000000 ] - [ -0.0017029900000000, 0.0015069900000000, -0.0000101200000000 ] - [ -0.0001532900000000, 0.0002447200000000, 0.0001825500000000 ] - [ 0.0017994000000000, -0.0040899300000000, -0.0003350300000000 ] - [ 0.0002008400000000, 0.0004042100000000, 0.0002608500000000 ] - [ -0.0000350900000000, 0.0008405800000000, -0.0001650500000000 ] - [ -0.0011947900000000, 0.0022252200000000, 0.0000811200000000 ] - [ -0.0000485900000000, 0.0008033700000000, -0.0000511800000000 ] - [ 0.0001444300000000, 0.0003777800000000, -0.0000588700000000 ] - [ -0.0000533600000000, 0.0008030000000000, 0.0000525000000000 ] - [ 0.0000602700000000, 0.0003110200000000, 0.0000270000000000 ] - [ -0.0001204700000000, 0.0001289100000000, 0.0001036100000000 ] - [ -0.0000102600000000, 0.0008293900000000, -0.0001072700000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006923200000000, -0.0005730500000000, -0.0000000500000000 ] - [ 0.0008951100000000, -0.0039635500000000, -0.0031699800000000 ] - [ -0.0006419500000000, 0.0010255700000000, -0.0000069600000000 ] - [ 0.0004890100000000, -0.0018994100000000, -0.0003420200000000 ] - [ -0.0002051600000000, 0.0006785400000000, -0.0000152300000000 ] - [ -0.0000758200000000, 0.0002727600000000, 0.0000420900000000 ] - [ 0.0001212100000000, 0.0000992900000000, -0.0000443500000000 ] - [ 0.0003427200000000, 0.0000727900000000, -0.0003958400000000 ] - [ 0.0000651100000000, 0.0004539700000000, -0.0001427600000000 ] - [ -0.0016859000000000, -0.0034178300000000, -0.0005264600000000 ] - [ 0.0000642600000000, 0.0004742200000000, 0.0001374700000000 ] - [ 0.0001032700000000, -0.0015995900000000, -0.0001685000000000 ] - [ -0.0003379900000000, -0.0046696200000000, 0.0037041400000000 ] - [ 0.0002815800000000, -0.0004062400000000, 0.0000008500000000 ] - [ 0.0024746900000000, -0.0018917300000000, 0.0007985700000000 ] - [ -0.0001488500000000, 0.0007795200000000, 0.0000031400000000 ] - [ -0.0001129200000000, 0.0005037300000000, -0.0000162100000000 ] - [ -0.0003703900000000, 0.0005324900000000, 0.0000069700000000 ] - [ -0.0002172300000000, 0.0004073200000000, -0.0003489400000000 ] - [ 0.0006308300000000, 0.0001886800000000, 0.0004086300000000 ] - [ -0.0000597200000000, 0.0001048600000000, 0.0000009100000000 ] - [ -0.0002278400000000, 0.0007809300000000, 0.0001073900000000 ] - [ -0.0000100100000000, 0.0004733300000000, 0.0000432600000000 ] - [ 0.0024199000000000, -0.0082121100000000, 0.0060888600000000 ] - [ -0.0000912600000000, 0.0004158800000000, -0.0001606300000000 ] - [ 0.0002203100000000, 0.0001775700000000, 0.0000015000000000 ] - [ 0.0014671500000000, -0.0062401200000000, -0.0046795100000000 ] - [ -0.0003824200000000, 0.0004266900000000, -0.0000526300000000 ] - [ 0.0004581200000000, 0.0002830800000000, 0.0001513000000000 ] - [ 0.0003573200000000, -0.0010113000000000, -0.0002869800000000 ] - [ -0.0002151600000000, 0.0004048700000000, 0.0003469800000000 ] - [ 0.0000537200000000, 0.0000035400000000, -0.0002365700000000 ] - [ 0.0000172900000000, -0.0003142600000000, 0.0002455000000000 ] - [ 0.0003230000000000, 0.0002551300000000, -0.0002481800000000 ] - [ -0.0001566000000000, 0.0002723500000000, 0.0002292900000000 ] - [ -0.0002770400000000, 0.0003365200000000, -0.0001433000000000 ] - [ -0.0001629300000000, 0.0002909100000000, -0.0002580200000000 ] - [ -0.0002739900000000, 0.0003415400000000, 0.0001404400000000 ] - [ -0.0003678000000000, -0.0103328700000000, -0.0003701500000000 ] - [ 0.0002938900000000, 0.0001722600000000, 0.0002223200000000 ] - [ 0.0004498400000000, -0.0014669800000000, -0.0008590500000000 ] - [ 0.0005011100000000, 0.0002554000000000, -0.0001458200000000 ] - [ -0.0003129600000000, -0.0001154100000000, 0.0000118900000000 ] - [ 0.0001701300000000, 0.0004088600000000, -0.0000209900000000 ] - [ -0.0018714800000000, -0.0007001100000000, 0.0016216000000000 ] - [ -0.0004075500000000, -0.0007183100000000, -0.0000049100000000 ] - [ 0.0019524200000000, 0.0053873800000000, 0.0013958100000000 ] - [ 0.0002278600000000, -0.0005123700000000, 0.0000077400000000 ] - [ 0.0003986000000000, -0.0000074700000000, 0.0000039700000000 ] - [ -0.0002839100000000, -0.0002375300000000, -0.0006395200000000 ] - [ -0.0002460300000000, -0.0005878000000000, -0.0000048000000000 ] - [ 0.0025976200000000, 0.0041120300000000, -0.0004965100000000 ] - [ -0.0003121400000000, -0.0007856000000000, -0.0000017900000000 ] - [ -0.0002271700000000, -0.0006378200000000, -0.0000917600000000 ] - [ -0.0000163600000000, -0.0003407500000000, 0.0001292700000000 ] - [ -0.0022285100000000, 0.0009815500000000, 0.0035795100000000 ] - [ -0.0004811700000000, -0.0006628300000000, 0.0000038800000000 ] - [ 0.0000502100000000, -0.0003784500000000, -0.0000013800000000 ] - [ -0.0018192000000000, 0.0011617500000000, -0.0034124500000000 ] - [ 0.0003144400000000, -0.0003890600000000, -0.0000821800000000 ] - [ -0.0089288100000000, 0.0379062800000000, -0.0020202300000000 ] - [ 0.0001521900000000, -0.0002421800000000, -0.0001692000000000 ] - [ 0.0036374600000000, -0.0033096700000000, 0.0003603000000000 ] - [ -0.0002015200000000, -0.0003997300000000, -0.0002495800000000 ] - [ 0.0013531200000000, -0.0013578600000000, -0.0004238200000000 ] - [ -0.0001993600000000, -0.0004006900000000, 0.0002501000000000 ] - [ -0.0014497900000000, 0.0039332400000000, -0.0000939500000000 ] - [ 0.0001521800000000, -0.0002491400000000, 0.0001717400000000 ] - [ -0.0000185600000000, -0.0013644000000000, 0.0000691100000000 ] - [ 0.0011544700000000, -0.0017242700000000, 0.0000136400000000 ] - [ 0.0001059700000000, -0.0002810400000000, -0.0000433900000000 ] - [ -0.0000854800000000, -0.0009012700000000, 0.0001518100000000 ] - [ 0.0001107100000000, -0.0002807200000000, 0.0000420600000000 ] - [ -0.0000034500000000, -0.0008364300000000, -0.0001211100000000 ] - [ 0.0000650600000000, -0.0006538100000000, -0.0000095400000000 ] - [ -0.0000497800000000, -0.0003014200000000, 0.0000131800000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0006681100000000, -0.0007635000000000, -0.0000008400000000 ] - [ 0.0007908600000000, 0.0038445600000000, 0.0036694100000000 ] - [ -0.0006601800000000, 0.0008120300000000, 0.0000008800000000 ] - [ -0.0051355600000000, 0.0001153400000000, 0.0042736700000000 ] - [ -0.0001893500000000, 0.0003489900000000, 0.0000056300000000 ] - [ -0.0003919200000000, -0.0005199000000000, -0.0000099200000000 ] - [ 0.0002061700000000, -0.0003162800000000, 0.0000140600000000 ] - [ 0.0002580000000000, 0.0005758100000000, 0.0000778800000000 ] - [ 0.0000054000000000, 0.0000605800000000, -0.0001395000000000 ] - [ 0.0003742300000000, 0.0000609300000000, 0.0012456900000000 ] - [ 0.0000075100000000, 0.0000573000000000, 0.0001419500000000 ] - [ 0.0000115900000000, 0.0000401200000000, -0.0006927400000000 ] - [ -0.0007431300000000, -0.0024420500000000, 0.0032908100000000 ] - [ 0.0002411500000000, -0.0005603500000000, -0.0000014100000000 ] - [ 0.0057230400000000, -0.0018397000000000, 0.0055188200000000 ] - [ -0.0002308700000000, 0.0006079900000000, -0.0000007900000000 ] - [ -0.0000606700000000, 0.0004105100000000, 0.0000100100000000 ] - [ -0.0002700600000000, 0.0000410400000000, -0.0000050500000000 ] - [ -0.0003384900000000, 0.0000997700000000, -0.0002629400000000 ] - [ 0.0004042100000000, -0.0003188000000000, 0.0000645300000000 ] - [ -0.0000452300000000, -0.0001206200000000, -0.0000003600000000 ] - [ -0.0001725400000000, -0.0001808700000000, 0.0000731900000000 ] - [ 0.0000599600000000, 0.0001528700000000, -0.0000110900000000 ] - [ 0.0029372000000000, -0.0076782300000000, 0.0075472800000000 ] - [ 0.0010424900000000, 0.0003223700000000, 0.0000824800000000 ] - [ 0.0002938300000000, -0.0000722400000000, -0.0000002500000000 ] - [ -0.0029371700000000, 0.0047707300000000, 0.0056583100000000 ] - [ -0.0003105200000000, 0.0001375700000000, 0.0000074700000000 ] - [ 0.0003873500000000, -0.0000240200000000, 0.0002429500000000 ] - [ 0.0004237100000000, 0.0003404100000000, 0.0009791800000000 ] - [ -0.0003369700000000, 0.0001011800000000, 0.0002657600000000 ] - [ -0.0006013500000000, -0.0003578800000000, 0.0000418100000000 ] - [ 0.0001475700000000, -0.0000610700000000, -0.0002099900000000 ] - [ 0.0003116100000000, -0.0000184800000000, -0.0003399100000000 ] - [ -0.0002864600000000, 0.0000443000000000, 0.0000808200000000 ] - [ -0.0002939600000000, 0.0000759500000000, -0.0002691300000000 ] - [ -0.0002528000000000, 0.0000632200000000, -0.0000292400000000 ] - [ -0.0002917800000000, 0.0000698300000000, 0.0002737100000000 ] - [ 0.0002372700000000, -0.0000766200000000, 0.0006915800000000 ] - [ 0.0003003600000000, 0.0000236700000000, 0.0003545800000000 ] - [ 0.0001019600000000, 0.0002998700000000, -0.0007224600000000 ] - [ 0.0003837500000000, -0.0000151100000000, -0.0002430100000000 ] - [ -0.0005278400000000, -0.0001381000000000, -0.0000227800000000 ] - [ 0.0002323900000000, 0.0002094200000000, 0.0000016100000000 ] - [ -0.0017196300000000, -0.0009274500000000, 0.0003518700000000 ] - [ -0.0003395200000000, -0.0001717200000000, -0.0000000400000000 ] - [ -0.0015667900000000, -0.0006892400000000, 0.0002250200000000 ] - [ 0.0003131800000000, 0.0000126100000000, 0.0000000200000000 ] - [ 0.0003472700000000, 0.0002663300000000, -0.0000013200000000 ] - [ 0.0011399500000000, 0.0005559700000000, 0.0000292500000000 ] - [ -0.0003480900000000, -0.0003484700000000, 0.0000001500000000 ] - [ 0.0034540300000000, 0.0015233700000000, 0.0004213300000000 ] - [ -0.0001540100000000, -0.0003366200000000, 0.0000008400000000 ] - [ 0.0002086300000000, 0.0010150300000000, 0.0000115700000000 ] - [ 0.0000127300000000, 0.0002162800000000, -0.0000186700000000 ] - [ -0.0006267100000000, -0.0020587700000000, 0.0002453300000000 ] - [ -0.0003087000000000, -0.0009099800000000, -0.0000759600000000 ] - [ -0.0001402900000000, -0.0000426400000000, 0.0000039700000000 ] - [ 0.0007430900000000, 0.0017487900000000, 0.0005135100000000 ] - [ 0.0002734500000000, -0.0000218100000000, 0.0000215700000000 ] - [ -0.0024532200000000, 0.0021198100000000, -0.0452913700000000 ] - [ 0.0001832000000000, 0.0000312400000000, -0.0002322900000000 ] - [ -0.0004553300000000, 0.0002120400000000, -0.0028424500000000 ] - [ -0.0001829100000000, -0.0001110400000000, -0.0002376500000000 ] - [ -0.0002940300000000, 0.0002852300000000, 0.0035781000000000 ] - [ -0.0001834700000000, -0.0001116200000000, 0.0002364600000000 ] - [ 0.0003729100000000, 0.0000459500000000, 0.0113251100000000 ] - [ 0.0001827400000000, 0.0000333900000000, 0.0002350000000000 ] - [ 0.0000141200000000, -0.0001924100000000, -0.0001392200000000 ] - [ -0.0000980500000000, 0.0001098700000000, -0.0014393600000000 ] - [ 0.0000280300000000, 0.0001656200000000, -0.0001385000000000 ] - [ 0.0000955800000000, -0.0003161600000000, -0.0002139400000000 ] - [ 0.0000276700000000, 0.0001670300000000, 0.0001382200000000 ] - [ 0.0000681400000000, -0.0003485700000000, 0.0001977000000000 ] - [ -0.0000166600000000, -0.0002995800000000, 0.0002070900000000 ] - [ -0.0000501600000000, 0.0001950000000000, 0.0012359400000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0006594400000000, -0.0008279400000000, 0.0000010200000000 ] - [ 0.0004846700000000, -0.0021127800000000, -0.0035437400000000 ] - [ -0.0006670900000000, 0.0007794400000000, -0.0000008700000000 ] - [ 0.0036550400000000, -0.0016315400000000, -0.0041323500000000 ] - [ -0.0001358300000000, 0.0001800100000000, -0.0000054300000000 ] - [ 0.0000668100000000, -0.0000087200000000, 0.0000101400000000 ] - [ 0.0001190800000000, -0.0002123000000000, -0.0000129500000000 ] - [ 0.0000697400000000, -0.0000433900000000, -0.0000770300000000 ] - [ -0.0000055900000000, -0.0000602600000000, -0.0001381100000000 ] - [ -0.0003866300000000, -0.0000596700000000, -0.0009770000000000 ] - [ -0.0000070700000000, -0.0000574300000000, 0.0001357900000000 ] - [ -0.0000200600000000, -0.0000454000000000, 0.0004125600000000 ] - [ 0.0011401000000000, 0.0037630100000000, -0.0034114800000000 ] - [ 0.0001965000000000, -0.0006204200000000, 0.0000014900000000 ] - [ -0.0063498800000000, 0.0007446200000000, -0.0056764700000000 ] - [ -0.0002064900000000, 0.0005729700000000, 0.0000007000000000 ] - [ -0.0004685400000000, -0.0004743300000000, -0.0000097700000000 ] - [ -0.0002595000000000, 0.0000235200000000, 0.0000051200000000 ] - [ -0.0003626600000000, 0.0000443600000000, -0.0002213400000000 ] - [ 0.0001235500000000, 0.0003849900000000, -0.0000668800000000 ] - [ -0.0000060200000000, -0.0002099000000000, 0.0000000900000000 ] - [ 0.0001199900000000, 0.0005117200000000, -0.0000751500000000 ] - [ -0.0000087300000000, 0.0001779800000000, 0.0000104600000000 ] - [ -0.0027452200000000, 0.0071293600000000, -0.0073473100000000 ] - [ -0.0004415500000000, -0.0001029900000000, -0.0000826400000000 ] - [ 0.0003102400000000, -0.0001433300000000, 0.0000003000000000 ] - [ 0.0024842700000000, -0.0051449700000000, -0.0058144200000000 ] - [ -0.0002934700000000, 0.0000777900000000, -0.0000069200000000 ] - [ 0.0003143400000000, -0.0001204100000000, 0.0002414800000000 ] - [ 0.0002739200000000, -0.0001944900000000, -0.0014591800000000 ] - [ -0.0003641700000000, 0.0000428900000000, 0.0002185100000000 ] - [ -0.0001010100000000, 0.0002123100000000, -0.0005270400000000 ] - [ 0.0004352200000000, 0.0002051700000000, 0.0006272900000000 ] - [ 0.0002704400000000, -0.0001218000000000, -0.0000815700000000 ] - [ -0.0002940400000000, -0.0001821900000000, 0.0003398600000000 ] - [ -0.0002867400000000, 0.0000635900000000, -0.0001519500000000 ] - [ -0.0003295000000000, -0.0002029500000000, -0.0003917200000000 ] - [ -0.0002889000000000, 0.0000695000000000, 0.0001470800000000 ] - [ 0.0003337400000000, 0.0002198500000000, -0.0011179800000000 ] - [ 0.0002813300000000, -0.0001613300000000, 0.0000672400000000 ] - [ 0.0006010700000000, -0.0001521700000000, 0.0012011100000000 ] - [ 0.0003177900000000, -0.0001284100000000, -0.0002411700000000 ] - [ -0.0001726300000000, -0.0000063200000000, 0.0005039300000000 ] - [ 0.0002969900000000, -0.0002741400000000, -0.0000024700000000 ] - [ 0.0010990600000000, 0.0011357000000000, -0.0003420400000000 ] - [ -0.0002828500000000, -0.0000384500000000, -0.0000002000000000 ] - [ 0.0021947400000000, 0.0004875500000000, -0.0002204800000000 ] - [ 0.0003092900000000, 0.0001973400000000, 0.0000000100000000 ] - [ 0.0003032700000000, 0.0002926600000000, 0.0000014800000000 ] - [ -0.0004897600000000, -0.0011113100000000, -0.0000310600000000 ] - [ -0.0003021100000000, -0.0002104400000000, -0.0000000300000000 ] - [ -0.0040850900000000, -0.0009614000000000, -0.0004239700000000 ] - [ -0.0001368400000000, -0.0001073200000000, -0.0000009200000000 ] - [ -0.0004993200000000, -0.0005717600000000, -0.0000087900000000 ] - [ 0.0002777500000000, 0.0002280500000000, 0.0000173600000000 ] - [ 0.0009181000000000, 0.0016109600000000, -0.0002555000000000 ] - [ 0.0000203000000000, 0.0009567600000000, 0.0000740700000000 ] - [ -0.0001482600000000, -0.0000048600000000, -0.0000037300000000 ] - [ -0.0004521500000000, -0.0018058400000000, -0.0004955400000000 ] - [ 0.0000145400000000, 0.0000694600000000, -0.0000208000000000 ] - [ 0.0029418400000000, -0.0023532800000000, 0.0457069100000000 ] - [ 0.0001697600000000, 0.0001249400000000, -0.0001989500000000 ] - [ 0.0001186000000000, -0.0000781300000000, 0.0032726100000000 ] - [ -0.0001698000000000, -0.0000447500000000, -0.0001950900000000 ] - [ -0.0000586000000000, -0.0001285700000000, -0.0040103700000000 ] - [ -0.0001693900000000, -0.0000440200000000, 0.0001962500000000 ] - [ -0.0000263800000000, -0.0001950800000000, -0.0117604300000000 ] - [ 0.0001700700000000, 0.0001223800000000, 0.0001977800000000 ] - [ -0.0000686900000000, -0.0003262200000000, 0.0000435500000000 ] - [ 0.0000356300000000, 0.0004167900000000, 0.0015318600000000 ] - [ 0.0000292500000000, 0.0003574900000000, 0.0000441100000000 ] - [ -0.0000385400000000, -0.0002068300000000, 0.0003078600000000 ] - [ 0.0000296600000000, 0.0003559600000000, -0.0000435800000000 ] - [ -0.0000110100000000, -0.0001747400000000, -0.0002920000000000 ] - [ -0.0000397500000000, -0.0002255100000000, -0.0001125000000000 ] - [ -0.0000062700000000, 0.0003289600000000, -0.0013290900000000 ]- atom: 69 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005535700000000, -0.0005633500000000, 0.0001142800000000 ] - [ 0.0006602200000000, 0.0008767900000000, -0.0000191100000000 ] - [ -0.0007494200000000, 0.0007709800000000, -0.0003823200000000 ] - [ -0.0006258100000000, -0.0006148000000000, -0.0000215000000000 ] - [ -0.0001811000000000, 0.0003671800000000, -0.0000046700000000 ] - [ -0.0001478100000000, -0.0001783300000000, 0.0000003700000000 ] - [ 0.0008665600000000, 0.0012966000000000, -0.0013456300000000 ] - [ 0.0049288500000000, -0.0017497300000000, -0.0040715000000000 ] - [ 0.0000925900000000, -0.0000816800000000, -0.0003051700000000 ] - [ -0.0000446800000000, 0.0000357900000000, 0.0001213200000000 ] - [ 0.0002636000000000, 0.0002166600000000, 0.0001936400000000 ] - [ -0.0000093000000000, 0.0000480000000000, -0.0001240500000000 ] - [ 0.0001580000000000, 0.0006700900000000, 0.0000153700000000 ] - [ 0.0002381800000000, -0.0005513400000000, -0.0000129600000000 ] - [ -0.0000817200000000, -0.0004753000000000, 0.0000271900000000 ] - [ -0.0004540100000000, 0.0006006200000000, -0.0000288900000000 ] - [ -0.0002380200000000, 0.0000679200000000, 0.0000005200000000 ] - [ -0.0002868200000000, 0.0001223300000000, -0.0000000500000000 ] - [ -0.0002897600000000, 0.0002394400000000, -0.0003150900000000 ] - [ 0.0048396900000000, -0.0012011000000000, 0.0036353500000000 ] - [ -0.0000377500000000, -0.0001186400000000, 0.0000014700000000 ] - [ -0.0000322800000000, 0.0002204000000000, 0.0000010300000000 ] - [ 0.0022917000000000, 0.0015180000000000, 0.0018035100000000 ] - [ 0.0000077400000000, -0.0002291900000000, 0.0000202600000000 ] - [ 0.0003053300000000, 0.0001582400000000, 0.0000006800000000 ] - [ 0.0003237900000000, -0.0001026900000000, 0.0000118200000000 ] - [ -0.0004110700000000, -0.0000799200000000, -0.0000380900000000 ] - [ 0.0015250600000000, 0.0013935400000000, -0.0012744200000000 ] - [ 0.0053382700000000, -0.0035244300000000, 0.0009977500000000 ] - [ 0.0001346300000000, 0.0002811900000000, -0.0004072400000000 ] - [ -0.0003443700000000, 0.0001225000000000, 0.0002574300000000 ] - [ -0.0003669300000000, -0.0000099800000000, -0.0002211600000000 ] - [ 0.0008602600000000, 0.0002732700000000, 0.0001555200000000 ] - [ -0.0002410700000000, 0.0005553300000000, 0.0002486800000000 ] - [ -0.0002941500000000, -0.0000204000000000, 0.0002131200000000 ] - [ -0.0002941900000000, 0.0001113100000000, -0.0002228900000000 ] - [ -0.0002996100000000, -0.0000163500000000, -0.0002260200000000 ] - [ -0.0002547200000000, 0.0001184100000000, 0.0001591500000000 ] - [ 0.0024962100000000, 0.0029305400000000, 0.0000937400000000 ] - [ 0.0008714500000000, 0.0004809500000000, 0.0015138500000000 ] - [ 0.0002305100000000, 0.0001660400000000, 0.0003051900000000 ] - [ 0.0002303400000000, -0.0004345800000000, -0.0000805400000000 ] - [ -0.0003776700000000, 0.0000016100000000, 0.0002064000000000 ] - [ 0.0019556200000000, 0.0024900800000000, 0.0022643800000000 ] - [ -0.0003143700000000, 0.0000219700000000, 0.0000008700000000 ] - [ -0.0003214400000000, -0.0002673500000000, -0.0000279800000000 ] - [ 0.0005210100000000, -0.0001694500000000, 0.0000553400000000 ] - [ -0.0010601100000000, -0.0001257100000000, 0.0015895700000000 ] - [ 0.0003632700000000, 0.0002362700000000, 0.0000798600000000 ] - [ 0.0003144800000000, -0.0003193200000000, 0.0000086400000000 ] - [ -0.0025771600000000, -0.0006825200000000, -0.0020284700000000 ] - [ -0.0000159600000000, 0.0001801500000000, -0.0000490600000000 ] - [ -0.0002258800000000, -0.0003829600000000, 0.0000829000000000 ] - [ -0.0001043300000000, 0.0001046100000000, 0.0000112400000000 ] - [ 0.0031603200000000, -0.0018067800000000, 0.0007182600000000 ] - [ -0.0015915200000000, -0.0020723300000000, 0.0008483400000000 ] - [ -0.0001724800000000, -0.0000539800000000, 0.0000012500000000 ] - [ -0.0001136000000000, -0.0000760100000000, 0.0000078100000000 ] - [ -0.0018642300000000, -0.0022527700000000, -0.0007449000000000 ] - [ 0.0027238200000000, -0.0033169400000000, -0.0019736400000000 ] - [ 0.0001730000000000, -0.0000880000000000, 0.0002571600000000 ] - [ 0.0009184300000000, 0.0012485600000000, -0.0001504000000000 ] - [ -0.0001564000000000, 0.0000003800000000, 0.0002168400000000 ] - [ -0.0001847100000000, -0.0001920600000000, -0.0001496900000000 ] - [ -0.0001606500000000, -0.0000044400000000, -0.0002172400000000 ] - [ -0.0001876300000000, -0.0001092800000000, 0.0001770800000000 ] - [ 0.0000669700000000, -0.0001701600000000, -0.0002277600000000 ] - [ 0.0006045900000000, 0.0000594200000000, 0.0001941900000000 ] - [ -0.0259356700000000, 0.0019233700000000, -0.0020018600000000 ] - [ 0.0036491500000000, 0.0009413300000000, 0.0000464100000000 ] - [ 0.0000432100000000, 0.0001634000000000, -0.0000418200000000 ] - [ 0.0000142600000000, -0.0003697000000000, 0.0000462100000000 ] - [ 0.0000638300000000, 0.0001583500000000, 0.0000345400000000 ] - [ 0.0000087600000000, -0.0003664500000000, -0.0000485600000000 ] - [ -0.0026842300000000, 0.0002368400000000, 0.0000247100000000 ] - [ 0.0019353500000000, 0.0013695600000000, -0.0000005700000000 ]- atom: 69 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007735900000000, -0.0010305800000000, -0.0001152600000000 ] - [ 0.0006661900000000, 0.0007148800000000, 0.0000198300000000 ] - [ -0.0005800400000000, 0.0008194200000000, 0.0003875400000000 ] - [ -0.0007028400000000, -0.0009772300000000, 0.0000222300000000 ] - [ -0.0001450700000000, 0.0001621900000000, 0.0000048100000000 ] - [ -0.0001782500000000, -0.0003502000000000, -0.0000000300000000 ] - [ -0.0004363000000000, -0.0017959800000000, 0.0012613700000000 ] - [ -0.0046950500000000, 0.0023618200000000, 0.0041926400000000 ] - [ -0.0000916100000000, 0.0000846300000000, 0.0000258900000000 ] - [ 0.0000437600000000, -0.0000348200000000, 0.0001566900000000 ] - [ -0.0002597800000000, -0.0002163400000000, 0.0000869100000000 ] - [ 0.0000084600000000, -0.0000484500000000, -0.0001532200000000 ] - [ 0.0002789500000000, 0.0005111300000000, -0.0000156300000000 ] - [ 0.0001965900000000, -0.0006298000000000, 0.0000129000000000 ] - [ -0.0003579600000000, -0.0007056600000000, -0.0000278100000000 ] - [ 0.0000147400000000, 0.0005786900000000, 0.0000268700000000 ] - [ -0.0002926000000000, -0.0001324700000000, -0.0000004300000000 ] - [ -0.0002440800000000, -0.0000570100000000, 0.0000001100000000 ] - [ -0.0004111900000000, -0.0000952700000000, -0.0001702400000000 ] - [ -0.0044183800000000, 0.0013535100000000, -0.0037683100000000 ] - [ -0.0000151200000000, -0.0002123400000000, -0.0000013500000000 ] - [ -0.0000200100000000, 0.0001106500000000, -0.0000009200000000 ] - [ -0.0022485800000000, -0.0012350000000000, -0.0018383500000000 ] - [ 0.0000417700000000, -0.0001028900000000, -0.0000213900000000 ] - [ 0.0002979100000000, 0.0000577900000000, -0.0000005700000000 ] - [ 0.0002786500000000, -0.0001127300000000, -0.0000117800000000 ] - [ -0.0001942000000000, -0.0001355000000000, 0.0000396800000000 ] - [ -0.0021235800000000, -0.0012021900000000, 0.0012878400000000 ] - [ -0.0045215500000000, 0.0032429000000000, -0.0005354500000000 ] - [ 0.0005665700000000, -0.0001409300000000, -0.0000776000000000 ] - [ -0.0003570300000000, 0.0000219500000000, 0.0002279300000000 ] - [ -0.0003356100000000, -0.0001337900000000, -0.0002627900000000 ] - [ -0.0002796600000000, -0.0001377200000000, 0.0002636000000000 ] - [ 0.0008222200000000, -0.0007015300000000, -0.0006726400000000 ] - [ -0.0002875700000000, -0.0001185800000000, 0.0002079400000000 ] - [ -0.0002873500000000, 0.0000281900000000, -0.0001979500000000 ] - [ -0.0002819800000000, -0.0001228300000000, -0.0001947900000000 ] - [ -0.0003267800000000, 0.0000209100000000, 0.0002615600000000 ] - [ -0.0019150700000000, -0.0027629100000000, -0.0005161000000000 ] - [ -0.0004332000000000, -0.0006468700000000, -0.0010828300000000 ] - [ 0.0004681000000000, -0.0000172300000000, 0.0001798700000000 ] - [ 0.0004785100000000, 0.0003001700000000, -0.0003993800000000 ] - [ -0.0003245400000000, -0.0001454100000000, 0.0002778000000000 ] - [ -0.0013151400000000, -0.0025081200000000, -0.0021550800000000 ] - [ -0.0003090100000000, 0.0001872200000000, -0.0000008700000000 ] - [ -0.0003028000000000, 0.0000550100000000, 0.0000283700000000 ] - [ 0.0001012800000000, -0.0000416000000000, -0.0000583800000000 ] - [ 0.0016581800000000, 0.0003377800000000, -0.0015896100000000 ] - [ 0.0002857100000000, 0.0003229300000000, -0.0000805000000000 ] - [ 0.0003350700000000, -0.0002401400000000, -0.0000089400000000 ] - [ 0.0019077000000000, 0.0001331200000000, 0.0020311400000000 ] - [ -0.0006347400000000, 0.0003779700000000, 0.0000522400000000 ] - [ -0.0000666500000000, -0.0000603900000000, -0.0000833800000000 ] - [ -0.0001873500000000, 0.0003385500000000, -0.0000116900000000 ] - [ -0.0028690100000000, 0.0022417300000000, -0.0007395700000000 ] - [ 0.0018810900000000, 0.0016168200000000, -0.0008621600000000 ] - [ -0.0001174200000000, 0.0001008300000000, -0.0000012300000000 ] - [ -0.0001756700000000, 0.0000286000000000, -0.0000076300000000 ] - [ 0.0021580900000000, 0.0021924400000000, 0.0007587700000000 ] - [ -0.0024301200000000, 0.0033543800000000, 0.0019982800000000 ] - [ 0.0001785300000000, -0.0000715600000000, 0.0001742400000000 ] - [ -0.0005625500000000, -0.0011006200000000, -0.0002841000000000 ] - [ -0.0001972900000000, 0.0001549000000000, 0.0002156000000000 ] - [ -0.0001678300000000, 0.0000378500000000, -0.0002839400000000 ] - [ -0.0001929100000000, 0.0001595300000000, -0.0002153800000000 ] - [ -0.0001653000000000, -0.0000455300000000, 0.0002561900000000 ] - [ 0.0002852800000000, 0.0000152400000000, -0.0002046600000000 ] - [ -0.0002480900000000, 0.0000990400000000, 0.0002379400000000 ] - [ 0.0259515900000000, -0.0024723000000000, 0.0019196000000000 ] - [ -0.0036996600000000, -0.0003833000000000, 0.0000490700000000 ] - [ 0.0000140000000000, 0.0003583500000000, -0.0000524700000000 ] - [ 0.0000419100000000, -0.0001540400000000, 0.0000479200000000 ] - [ -0.0000075000000000, 0.0003646000000000, 0.0000600000000000 ] - [ 0.0000475300000000, -0.0001571000000000, -0.0000457600000000 ] - [ 0.0026123600000000, -0.0007653400000000, 0.0000709600000000 ] - [ -0.0019803300000000, -0.0008434400000000, -0.0000941700000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006824700000000, -0.0011841100000000, -0.0001325000000000 ] - [ 0.0007619600000000, 0.0004213700000000, -0.0000779300000000 ] - [ -0.0008944200000000, 0.0005713600000000, 0.0004488500000000 ] - [ -0.0006213300000000, -0.0010948400000000, -0.0000562400000000 ] - [ -0.0000323000000000, -0.0005266400000000, 0.0000002400000000 ] - [ -0.0002967300000000, -0.0010611500000000, -0.0000090100000000 ] - [ 0.0011100100000000, 0.0027743100000000, -0.0011009800000000 ] - [ -0.0023168600000000, 0.0030321200000000, 0.0024505100000000 ] - [ 0.0000939600000000, -0.0006513900000000, -0.0000852000000000 ] - [ 0.0001136900000000, -0.0008619200000000, 0.0001758500000000 ] - [ 0.0000618800000000, -0.0011291200000000, 0.0001378600000000 ] - [ 0.0001855400000000, -0.0007630800000000, -0.0001968500000000 ] - [ 0.0003146400000000, 0.0002399100000000, 0.0000504800000000 ] - [ 0.0001412900000000, -0.0008542000000000, 0.0000126600000000 ] - [ -0.0000181100000000, -0.0008338200000000, 0.0000636100000000 ] - [ -0.0007178700000000, 0.0001502000000000, -0.0000138500000000 ] - [ -0.0004807300000000, -0.0008776800000000, 0.0000009300000000 ] - [ -0.0000670200000000, -0.0007920500000000, 0.0000001200000000 ] - [ -0.0005497800000000, -0.0005243400000000, -0.0000843800000000 ] - [ -0.0017610700000000, 0.0027163100000000, -0.0019731400000000 ] - [ 0.0000226800000000, -0.0006700400000000, -0.0000006700000000 ] - [ -0.0000865800000000, -0.0003002600000000, 0.0000049900000000 ] - [ 0.0024865200000000, 0.0027853900000000, 0.0023573500000000 ] - [ 0.0000194200000000, -0.0002691900000000, -0.0000685200000000 ] - [ 0.0001487100000000, -0.0003973500000000, -0.0000072800000000 ] - [ 0.0004882300000000, -0.0006863300000000, -0.0000165300000000 ] - [ -0.0003760400000000, -0.0002597100000000, -0.0000915600000000 ] - [ 0.0020281500000000, 0.0026547600000000, -0.0020834500000000 ] - [ -0.0031374400000000, 0.0054898500000000, -0.0013696200000000 ] - [ 0.0005654000000000, -0.0002625800000000, -0.0003002500000000 ] - [ -0.0005814200000000, -0.0005121400000000, 0.0000548600000000 ] - [ -0.0000987700000000, -0.0006809700000000, -0.0004581200000000 ] - [ -0.0002535700000000, 0.0005335100000000, 0.0004709000000000 ] - [ 0.0002878500000000, 0.0011083600000000, -0.0011351300000000 ] - [ -0.0002760900000000, -0.0005160400000000, 0.0000824300000000 ] - [ -0.0002783200000000, -0.0003905300000000, -0.0002954300000000 ] - [ -0.0002835100000000, -0.0005157100000000, -0.0001100500000000 ] - [ -0.0002989600000000, -0.0004022000000000, 0.0003125600000000 ] - [ 0.0038920900000000, 0.0078158200000000, 0.0000336000000000 ] - [ 0.0004002400000000, 0.0010678200000000, 0.0007288600000000 ] - [ 0.0010717800000000, -0.0006578100000000, -0.0001408600000000 ] - [ 0.0010866900000000, 0.0009406200000000, -0.0003967700000000 ] - [ -0.0001278700000000, -0.0006439400000000, 0.0004151800000000 ] - [ 0.0009149600000000, 0.0038147900000000, 0.0015511600000000 ] - [ -0.0004846800000000, 0.0011613700000000, -0.0000070400000000 ] - [ -0.0000856900000000, 0.0010617700000000, 0.0001108400000000 ] - [ -0.0002705300000000, 0.0010802900000000, 0.0003146700000000 ] - [ -0.0019802400000000, 0.0024697800000000, -0.0008877800000000 ] - [ 0.0001877900000000, 0.0009064300000000, -0.0000857700000000 ] - [ 0.0004596100000000, 0.0001999900000000, 0.0000294900000000 ] - [ -0.0018445000000000, 0.0020990500000000, 0.0016932500000000 ] - [ -0.0003738600000000, 0.0009060100000000, -0.0001922400000000 ] - [ 0.0001219400000000, 0.0007882700000000, -0.0000095000000000 ] - [ -0.0004015100000000, 0.0012160400000000, 0.0000341300000000 ] - [ -0.0010969600000000, -0.0031977500000000, 0.0026598700000000 ] - [ -0.0006775800000000, 0.0025522000000000, 0.0032471700000000 ] - [ 0.0001873800000000, 0.0006320400000000, 0.0000010000000000 ] - [ -0.0004683500000000, 0.0005818300000000, -0.0000088800000000 ] - [ -0.0010419000000000, 0.0022093900000000, -0.0033941100000000 ] - [ 0.0008106100000000, -0.0017360000000000, -0.0014778000000000 ] - [ 0.0003045000000000, 0.0010255800000000, 0.0002825100000000 ] - [ 0.0018639300000000, 0.0020380800000000, -0.0003698400000000 ] - [ -0.0002109000000000, 0.0006199200000000, 0.0003122200000000 ] - [ -0.0001430900000000, 0.0005619900000000, -0.0001622900000000 ] - [ -0.0002200300000000, 0.0006195700000000, -0.0003108600000000 ] - [ -0.0001556900000000, 0.0004959200000000, 0.0001297400000000 ] - [ 0.0001196100000000, 0.0003137300000000, -0.0001791300000000 ] - [ 0.0011729300000000, 0.0006398700000000, 0.0002826900000000 ] - [ 0.0021316300000000, -0.0346378600000000, -0.0013388200000000 ] - [ -0.0006925100000000, -0.0007735400000000, 0.0001533100000000 ] - [ -0.0000685500000000, 0.0012486400000000, -0.0000165600000000 ] - [ 0.0001363400000000, 0.0006989900000000, 0.0000675700000000 ] - [ -0.0000746700000000, 0.0012520700000000, 0.0000184900000000 ] - [ 0.0001332300000000, 0.0006944800000000, -0.0000687100000000 ] - [ 0.0004748100000000, -0.0048520200000000, 0.0000957000000000 ] - [ -0.0011364000000000, -0.0006734700000000, -0.0000720500000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006468500000000, -0.0004098700000000, 0.0001311400000000 ] - [ 0.0005649400000000, 0.0011706900000000, 0.0000784500000000 ] - [ -0.0004315700000000, 0.0010204600000000, -0.0004431800000000 ] - [ -0.0007065600000000, -0.0004952900000000, 0.0000571800000000 ] - [ -0.0002927500000000, 0.0010545700000000, -0.0000001400000000 ] - [ -0.0000286600000000, 0.0005330200000000, 0.0000088100000000 ] - [ -0.0007559100000000, -0.0033083800000000, 0.0010882300000000 ] - [ 0.0025889400000000, -0.0024726100000000, -0.0023854700000000 ] - [ -0.0000959100000000, 0.0006520800000000, -0.0001938300000000 ] - [ -0.0001126400000000, 0.0008618300000000, 0.0001024500000000 ] - [ -0.0000588600000000, 0.0011219200000000, 0.0001432500000000 ] - [ -0.0001847500000000, 0.0007610700000000, -0.0000809500000000 ] - [ 0.0001223600000000, 0.0009419200000000, -0.0000506400000000 ] - [ 0.0002952500000000, -0.0003268900000000, -0.0000125300000000 ] - [ -0.0004203200000000, -0.0003444300000000, -0.0000646800000000 ] - [ 0.0002824600000000, 0.0010334800000000, 0.0000110600000000 ] - [ -0.0000491100000000, 0.0008132000000000, -0.0000008400000000 ] - [ -0.0004626800000000, 0.0008563100000000, -0.0000000800000000 ] - [ -0.0001518300000000, 0.0006667500000000, -0.0004000200000000 ] - [ 0.0022495200000000, -0.0026205800000000, 0.0019247500000000 ] - [ -0.0000740500000000, 0.0003389400000000, 0.0000007900000000 ] - [ 0.0000349500000000, 0.0006314400000000, -0.0000048700000000 ] - [ -0.0024945600000000, -0.0025573800000000, -0.0024698700000000 ] - [ 0.0000313000000000, -0.0000597400000000, 0.0000679600000000 ] - [ 0.0004551500000000, 0.0006134400000000, 0.0000073000000000 ] - [ 0.0001152100000000, 0.0004709900000000, 0.0000160800000000 ] - [ -0.0002279800000000, 0.0000465400000000, 0.0000914200000000 ] - [ -0.0026751700000000, -0.0025563300000000, 0.0021995000000000 ] - [ 0.0039961900000000, -0.0057981200000000, 0.0018381700000000 ] - [ 0.0001348900000000, 0.0004061100000000, -0.0001873500000000 ] - [ -0.0001204200000000, 0.0006552000000000, 0.0004298900000000 ] - [ -0.0006028800000000, 0.0005368900000000, -0.0000264100000000 ] - [ 0.0008351700000000, -0.0003939300000000, -0.0000495800000000 ] - [ 0.0003075400000000, -0.0012466000000000, 0.0007279800000000 ] - [ -0.0003052000000000, 0.0003770800000000, 0.0003383300000000 ] - [ -0.0003030500000000, 0.0005297300000000, -0.0001259200000000 ] - [ -0.0002976500000000, 0.0003765600000000, -0.0003106000000000 ] - [ -0.0002823500000000, 0.0005410300000000, 0.0001088100000000 ] - [ -0.0031754900000000, -0.0072699400000000, -0.0004795700000000 ] - [ 0.0001782200000000, -0.0012041400000000, -0.0003020800000000 ] - [ -0.0003693200000000, 0.0008070100000000, 0.0006240000000000 ] - [ -0.0003935900000000, -0.0010868400000000, -0.0000900600000000 ] - [ -0.0005736200000000, 0.0004999200000000, 0.0000692800000000 ] - [ -0.0003606100000000, -0.0038849500000000, -0.0015374400000000 ] - [ -0.0001389000000000, -0.0009508300000000, 0.0000076300000000 ] - [ -0.0005372400000000, -0.0012717900000000, -0.0001083900000000 ] - [ 0.0008909800000000, -0.0012881400000000, -0.0003147100000000 ] - [ 0.0026047700000000, -0.0022704600000000, 0.0009006400000000 ] - [ 0.0004619900000000, -0.0003465900000000, 0.0000841700000000 ] - [ 0.0001909100000000, -0.0007594000000000, -0.0000298600000000 ] - [ 0.0011947700000000, -0.0026727200000000, -0.0017079000000000 ] - [ -0.0002765700000000, -0.0003460500000000, 0.0001934500000000 ] - [ -0.0004125400000000, -0.0012299100000000, 0.0000089800000000 ] - [ 0.0001102500000000, -0.0007726000000000, -0.0000343800000000 ] - [ 0.0013874000000000, 0.0036663900000000, -0.0026662000000000 ] - [ 0.0009526900000000, -0.0029820000000000, -0.0032119700000000 ] - [ -0.0004759100000000, -0.0005853800000000, -0.0000010200000000 ] - [ 0.0001796800000000, -0.0006286000000000, 0.0000089500000000 ] - [ 0.0013110300000000, -0.0022460800000000, 0.0033635800000000 ] - [ -0.0005360400000000, 0.0017944700000000, 0.0014666600000000 ] - [ 0.0000482200000000, -0.0011795700000000, 0.0001488300000000 ] - [ -0.0015374400000000, -0.0019116100000000, -0.0000629500000000 ] - [ -0.0001419400000000, -0.0004646400000000, 0.0001204000000000 ] - [ -0.0002092200000000, -0.0007171700000000, -0.0002717200000000 ] - [ -0.0001325900000000, -0.0004642900000000, -0.0001219200000000 ] - [ -0.0001978700000000, -0.0006516700000000, 0.0003037300000000 ] - [ 0.0002329100000000, -0.0004691100000000, -0.0002533000000000 ] - [ -0.0008208400000000, -0.0004910500000000, 0.0001488200000000 ] - [ -0.0022638600000000, 0.0340342700000000, 0.0012607100000000 ] - [ 0.0006321700000000, 0.0012896400000000, -0.0000584000000000 ] - [ 0.0001263800000000, -0.0007260800000000, -0.0000778100000000 ] - [ -0.0000794100000000, -0.0012221200000000, 0.0000265600000000 ] - [ 0.0001315100000000, -0.0007283400000000, 0.0000761400000000 ] - [ -0.0000761900000000, -0.0012174500000000, -0.0000256800000000 ] - [ -0.0005272300000000, 0.0043344200000000, 0.0000002000000000 ] - [ 0.0010766800000000, 0.0011923200000000, -0.0000220000000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0007486400000000, -0.0009114000000000, -0.0000248100000000 ] - [ 0.0006784600000000, 0.0007532900000000, 0.0000044900000000 ] - [ -0.0006260400000000, 0.0003575000000000, 0.0000615200000000 ] - [ -0.0006919500000000, -0.0010119500000000, 0.0000122800000000 ] - [ -0.0001461200000000, 0.0002539100000000, 0.0000060000000000 ] - [ -0.0001604300000000, -0.0002557300000000, -0.0000037600000000 ] - [ 0.0000642200000000, -0.0019301400000000, 0.0020601100000000 ] - [ -0.0048226600000000, 0.0022218300000000, 0.0059749700000000 ] - [ -0.0001808000000000, 0.0001695300000000, 0.0001376900000000 ] - [ 0.0000422800000000, 0.0000592700000000, 0.0001755300000000 ] - [ -0.0002373700000000, 0.0001235500000000, 0.0000587100000000 ] - [ 0.0000294800000000, 0.0000299900000000, -0.0001435700000000 ] - [ 0.0000843300000000, 0.0007000800000000, -0.0000072300000000 ] - [ 0.0001251200000000, -0.0005725200000000, 0.0000082800000000 ] - [ -0.0000413000000000, -0.0004700300000000, -0.0000003400000000 ] - [ -0.0000908000000000, 0.0008361500000000, 0.0000321000000000 ] - [ -0.0002550300000000, -0.0000029100000000, -0.0000004800000000 ] - [ -0.0002759300000000, 0.0000658800000000, -0.0000014100000000 ] - [ -0.0003370700000000, 0.0000448900000000, -0.0002481200000000 ] - [ 0.0044905500000000, -0.0008467800000000, 0.0048139400000000 ] - [ -0.0000106300000000, -0.0001974800000000, -0.0000034800000000 ] - [ -0.0000324800000000, 0.0001674500000000, -0.0000011000000000 ] - [ 0.0025273400000000, 0.0018814600000000, 0.0037943200000000 ] - [ 0.0000591900000000, -0.0001790700000000, 0.0000202200000000 ] - [ 0.0003115400000000, 0.0001202700000000, 0.0000007200000000 ] - [ 0.0001734100000000, -0.0000413700000000, 0.0000022600000000 ] - [ -0.0004040200000000, -0.0000607200000000, -0.0000169700000000 ] - [ -0.0023306800000000, -0.0016547900000000, 0.0035554600000000 ] - [ 0.0003840700000000, -0.0004404200000000, 0.0017148900000000 ] - [ 0.0004538000000000, -0.0001542600000000, 0.0000542200000000 ] - [ -0.0003212100000000, 0.0000705900000000, 0.0002921500000000 ] - [ -0.0003534700000000, -0.0000779800000000, -0.0002302200000000 ] - [ 0.0005608100000000, 0.0000804700000000, -0.0005947000000000 ] - [ 0.0000357800000000, -0.0000067200000000, -0.0010430300000000 ] - [ -0.0002969400000000, -0.0000599700000000, 0.0001976200000000 ] - [ -0.0002865800000000, 0.0000959100000000, -0.0002007200000000 ] - [ -0.0002923100000000, -0.0000606600000000, -0.0001905900000000 ] - [ -0.0003004500000000, 0.0000923600000000, 0.0002332200000000 ] - [ 0.0005189600000000, -0.0000561000000000, 0.0011964400000000 ] - [ 0.0004939300000000, 0.0001943800000000, 0.0018420200000000 ] - [ 0.0003684600000000, -0.0000118400000000, 0.0001544400000000 ] - [ 0.0005151600000000, 0.0000627100000000, -0.0007818600000000 ] - [ -0.0003526000000000, -0.0000828300000000, 0.0002414600000000 ] - [ 0.0012591100000000, 0.0025295500000000, 0.0029261500000000 ] - [ -0.0003028800000000, 0.0001179500000000, 0.0000007400000000 ] - [ -0.0003186100000000, -0.0000889600000000, -0.0000257500000000 ] - [ 0.0001229000000000, -0.0002922000000000, -0.0000303600000000 ] - [ 0.0032595300000000, -0.0013619800000000, -0.0004240200000000 ] - [ 0.0002546100000000, 0.0003539700000000, 0.0000019100000000 ] - [ 0.0003263800000000, -0.0002750000000000, -0.0000043300000000 ] - [ -0.0023184100000000, 0.0011277100000000, 0.0003816600000000 ] - [ -0.0003753600000000, 0.0002877700000000, 0.0000802000000000 ] - [ -0.0001838000000000, -0.0001832200000000, -0.0000336300000000 ] - [ -0.0001514100000000, 0.0002246000000000, -0.0000057500000000 ] - [ -0.0012314600000000, 0.0026578300000000, -0.0004880200000000 ] - [ 0.0019020000000000, 0.0030287300000000, 0.0000431000000000 ] - [ -0.0001368800000000, -0.0000183600000000, -0.0000033200000000 ] - [ -0.0001371200000000, -0.0000685900000000, -0.0000043500000000 ] - [ -0.0017367900000000, -0.0029510000000000, 0.0004817700000000 ] - [ 0.0020449700000000, -0.0031500700000000, -0.0000916800000000 ] - [ 0.0001876200000000, -0.0001965000000000, 0.0001244700000000 ] - [ -0.0000695300000000, 0.0001139900000000, -0.0017027900000000 ] - [ -0.0001726100000000, 0.0000817300000000, 0.0001250600000000 ] - [ -0.0001359500000000, 0.0000279000000000, -0.0004775900000000 ] - [ -0.0001685500000000, 0.0000829200000000, -0.0001251800000000 ] - [ -0.0001325600000000, -0.0000038300000000, 0.0004616000000000 ] - [ 0.0002129200000000, -0.0001338300000000, -0.0000562300000000 ] - [ -0.0000213100000000, 0.0001370600000000, 0.0014990700000000 ] - [ -0.0018756300000000, -0.0015847500000000, -0.0358531200000000 ] - [ -0.0000295400000000, 0.0003660900000000, -0.0023657200000000 ] - [ 0.0000237500000000, 0.0002303800000000, -0.0000837200000000 ] - [ 0.0000276600000000, -0.0002822500000000, 0.0000329800000000 ] - [ 0.0000157900000000, 0.0002327700000000, 0.0000887900000000 ] - [ 0.0000300600000000, -0.0002831700000000, -0.0000327200000000 ] - [ -0.0000073400000000, -0.0003097400000000, 0.0103010400000000 ] - [ 0.0000197800000000, 0.0002866700000000, 0.0021070500000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0005796400000000, -0.0006823500000000, 0.0000239000000000 ] - [ 0.0006486000000000, 0.0008381900000000, -0.0000035800000000 ] - [ -0.0007014900000000, 0.0012364600000000, -0.0000544600000000 ] - [ -0.0006356600000000, -0.0005809500000000, -0.0000110100000000 ] - [ -0.0001792100000000, 0.0002751000000000, -0.0000055200000000 ] - [ -0.0001649800000000, -0.0002726700000000, 0.0000039300000000 ] - [ 0.0003538500000000, 0.0014296800000000, -0.0021332800000000 ] - [ 0.0049881800000000, -0.0015790200000000, -0.0058205400000000 ] - [ 0.0001782100000000, -0.0001661700000000, -0.0004137100000000 ] - [ -0.0000424400000000, -0.0000576800000000, 0.0001029900000000 ] - [ 0.0002385200000000, -0.0001298100000000, 0.0002194000000000 ] - [ -0.0000292800000000, -0.0000306800000000, -0.0001331500000000 ] - [ 0.0003535200000000, 0.0004810000000000, 0.0000074200000000 ] - [ 0.0003117200000000, -0.0006087100000000, -0.0000082400000000 ] - [ -0.0003979700000000, -0.0007111700000000, -0.0000002000000000 ] - [ -0.0003460800000000, 0.0003470800000000, -0.0000342400000000 ] - [ -0.0002748400000000, -0.0000617500000000, 0.0000009000000000 ] - [ -0.0002540600000000, -0.0000007600000000, 0.0000018300000000 ] - [ -0.0003640300000000, 0.0000986800000000, -0.0002358200000000 ] - [ -0.0041071700000000, 0.0010085300000000, -0.0049511900000000 ] - [ -0.0000409000000000, -0.0001332000000000, 0.0000039200000000 ] - [ -0.0000189000000000, 0.0001635400000000, 0.0000015300000000 ] - [ -0.0025474300000000, -0.0016732600000000, -0.0039046800000000 ] - [ -0.0000086700000000, -0.0001525700000000, -0.0000209200000000 ] - [ 0.0002925700000000, 0.0000956700000000, -0.0000002700000000 ] - [ 0.0004299500000000, -0.0001738700000000, -0.0000023600000000 ] - [ -0.0001998500000000, -0.0001547300000000, 0.0000187100000000 ] - [ 0.0016822900000000, 0.0017551600000000, -0.0034552200000000 ] - [ 0.0003155500000000, 0.0002942900000000, -0.0012450400000000 ] - [ 0.0002486900000000, 0.0002915500000000, -0.0005377400000000 ] - [ -0.0003803300000000, 0.0000732100000000, 0.0001923400000000 ] - [ -0.0003481800000000, -0.0000657200000000, -0.0002533600000000 ] - [ 0.0000196100000000, 0.0000542200000000, 0.0010123000000000 ] - [ 0.0005508300000000, -0.0001359800000000, 0.0006197800000000 ] - [ -0.0002840300000000, -0.0000790700000000, 0.0002237200000000 ] - [ -0.0002944000000000, 0.0000437700000000, -0.0002200700000000 ] - [ -0.0002884900000000, -0.0000785500000000, -0.0002298200000000 ] - [ -0.0002806200000000, 0.0000469400000000, 0.0001881400000000 ] - [ 0.0000546300000000, 0.0001881100000000, -0.0016173900000000 ] - [ 0.0000812100000000, -0.0003295700000000, -0.0014117300000000 ] - [ 0.0003297100000000, 0.0001629700000000, 0.0003317700000000 ] - [ 0.0001806300000000, -0.0002041000000000, 0.0002950000000000 ] - [ -0.0003487300000000, -0.0000612700000000, 0.0002431500000000 ] - [ -0.0006246600000000, -0.0025457300000000, -0.0028308300000000 ] - [ -0.0003195700000000, 0.0000914000000000, -0.0000004000000000 ] - [ -0.0003032100000000, -0.0001202900000000, 0.0000283000000000 ] - [ 0.0004997300000000, 0.0000810100000000, 0.0000265100000000 ] - [ -0.0026300400000000, 0.0015671200000000, 0.0004228000000000 ] - [ 0.0003953700000000, 0.0002053900000000, -0.0000031100000000 ] - [ 0.0003238900000000, -0.0002841300000000, 0.0000040900000000 ] - [ 0.0016724000000000, -0.0016856200000000, -0.0003731700000000 ] - [ -0.0002750600000000, 0.0002712500000000, -0.0000759400000000 ] - [ -0.0001068600000000, -0.0002598900000000, 0.0000336100000000 ] - [ -0.0001395400000000, 0.0002188000000000, 0.0000055400000000 ] - [ 0.0015186400000000, -0.0022152500000000, 0.0005037900000000 ] - [ -0.0016037100000000, -0.0034572900000000, -0.0000511400000000 ] - [ -0.0001521000000000, 0.0000654500000000, 0.0000036200000000 ] - [ -0.0001514900000000, 0.0000210500000000, 0.0000047000000000 ] - [ 0.0020293700000000, 0.0029132700000000, -0.0004702700000000 ] - [ -0.0017509000000000, 0.0031879600000000, 0.0000823300000000 ] - [ 0.0001649100000000, 0.0000376700000000, 0.0003072200000000 ] - [ 0.0004212100000000, 0.0000465900000000, 0.0012683700000000 ] - [ -0.0001804600000000, 0.0000739400000000, 0.0003076300000000 ] - [ -0.0002163900000000, -0.0001828400000000, 0.0000441900000000 ] - [ -0.0001843900000000, 0.0000726200000000, -0.0003070900000000 ] - [ -0.0002206500000000, -0.0001519100000000, -0.0000281000000000 ] - [ 0.0001406900000000, -0.0000207200000000, -0.0003758900000000 ] - [ 0.0003742200000000, 0.0000166200000000, -0.0010659800000000 ] - [ 0.0020464500000000, 0.0010153300000000, 0.0357033400000000 ] - [ -0.0000323200000000, 0.0001543700000000, 0.0024582600000000 ] - [ 0.0000342100000000, 0.0002916400000000, -0.0000103400000000 ] - [ 0.0000293100000000, -0.0002411900000000, 0.0000614500000000 ] - [ 0.0000412000000000, 0.0002904100000000, 0.0000061600000000 ] - [ 0.0000270800000000, -0.0002401000000000, -0.0000613400000000 ] - [ -0.0000537000000000, -0.0002141300000000, -0.0102060100000000 ] - [ -0.0000737900000000, 0.0002366400000000, -0.0021995100000000 ]