# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/eb84ef3d-d274-4cb7-a3ca-b2e1f6e443e9/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 Ba6CdAg2(SnS4)4 / I-42d (122) / materials id 532680](https://mdr.nims.go.jp/datasets/d831cdfa-1c4e-483d-aa35-e3f5833571f6) ## 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: "I-42d" number: 122 Hall_symbol: "I -4 2bw"primitive_matrix:- [ -0.500000000000000, 0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, -0.500000000000000, 0.500000000000000 ]- [ 0.500000000000000, 0.500000000000000, -0.500000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ -7.334980860000000, 7.334980860000000, 7.303571545000000 ] # a - [ 7.334980860000000, -7.334980860000000, 7.303571545000000 ] # b - [ 7.334980860000000, 7.334980860000000, -7.303571545000000 ] # c points: - symbol: Ag # 1 coordinates: [ 0.498193520000000, 0.125000000000000, 0.873193520000000 ] mass: 107.868200 - symbol: Ag # 2 coordinates: [ 0.375000000000000, 0.501806480000000, 0.626806480000000 ] mass: 107.868200 - symbol: Ag # 3 coordinates: [ 0.251806480000000, 0.625000000000000, 0.126806480000000 ] mass: 107.868200 - symbol: Ag # 4 coordinates: [ 0.875000000000000, 0.748193520000000, 0.373193520000000 ] mass: 107.868200 - symbol: Ba # 5 coordinates: [ 0.391946880000000, 0.891946880000000, 0.500000000000000 ] mass: 137.327000 - symbol: Ba # 6 coordinates: [ 0.858894320000000, 0.125000000000000, 0.233894320000000 ] mass: 137.327000 - symbol: Ba # 7 coordinates: [ 0.875000000000000, 0.108894320000000, 0.733894320000000 ] mass: 137.327000 - symbol: Ba # 8 coordinates: [ 0.143713720000000, 0.125000000000000, 0.518713720000000 ] mass: 137.327000 - symbol: Ba # 9 coordinates: [ 0.375000000000000, 0.141105680000000, 0.266105680000000 ] mass: 137.327000 - symbol: Ba # 10 coordinates: [ 0.108053120000000, 0.608053120000000, 0.500000000000000 ] mass: 137.327000 - symbol: Ba # 11 coordinates: [ 0.875000000000000, 0.393713720000000, 0.018713720000000 ] mass: 137.327000 - symbol: Ba # 12 coordinates: [ 0.891105680000000, 0.625000000000000, 0.766105680000000 ] mass: 137.327000 - symbol: Ba # 13 coordinates: [ 0.358053120000000, 0.358053120000000, 0.000000000000000 ] mass: 137.327000 - symbol: Ba # 14 coordinates: [ 0.375000000000000, 0.856286280000000, 0.981286280000000 ] mass: 137.327000 - symbol: Ba # 15 coordinates: [ 0.641946880000000, 0.641946880000000, 0.000000000000000 ] mass: 137.327000 - symbol: Ba # 16 coordinates: [ 0.606286280000000, 0.625000000000000, 0.481286280000000 ] mass: 137.327000 - symbol: Cd # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 112.411000 - symbol: Cd # 18 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 112.411000 - symbol: S # 19 coordinates: [ 0.627457430000000, 0.876621430000000, 0.980713500000000 ] mass: 32.065000 - symbol: S # 20 coordinates: [ 0.469201490000000, 0.176533810000000, 0.070717080000000 ] mass: 32.065000 - symbol: S # 21 coordinates: [ 0.607390010000000, 0.052375530000000, 0.275936800000000 ] mass: 32.065000 - symbol: S # 22 coordinates: [ 0.301353520000000, 0.898672280000000, 0.732166500000000 ] mass: 32.065000 - symbol: S # 23 coordinates: [ 0.626621430000000, 0.877457430000000, 0.480713500000000 ] mass: 32.065000 - symbol: S # 24 coordinates: [ 0.142609990000000, 0.918546790000000, 0.944985520000000 ] mass: 32.065000 - symbol: S # 25 coordinates: [ 0.823466190000000, 0.894183270000000, 0.292667680000000 ] mass: 32.065000 - symbol: S # 26 coordinates: [ 0.081453210000000, 0.026438730000000, 0.224063200000000 ] mass: 32.065000 - symbol: S # 27 coordinates: [ 0.644183270000000, 0.073466190000000, 0.792667680000000 ] mass: 32.065000 - symbol: S # 28 coordinates: [ 0.668546790000000, 0.392609990000000, 0.444985520000000 ] mass: 32.065000 - symbol: S # 29 coordinates: [ 0.947624470000000, 0.223561270000000, 0.555014480000000 ] mass: 32.065000 - symbol: S # 30 coordinates: [ 0.776438730000000, 0.331453210000000, 0.724063200000000 ] mass: 32.065000 - symbol: S # 31 coordinates: [ 0.148484410000000, 0.355816730000000, 0.429282920000000 ] mass: 32.065000 - symbol: S # 32 coordinates: [ 0.353256070000000, 0.372542570000000, 0.249164000000000 ] mass: 32.065000 - symbol: S # 33 coordinates: [ 0.123378570000000, 0.104092070000000, 0.750836000000000 ] mass: 32.065000 - symbol: S # 34 coordinates: [ 0.396743930000000, 0.145907930000000, 0.519286500000000 ] mass: 32.065000 - symbol: S # 35 coordinates: [ 0.973561270000000, 0.197624470000000, 0.055014480000000 ] mass: 32.065000 - symbol: S # 36 coordinates: [ 0.105816730000000, 0.398484410000000, 0.929282920000000 ] mass: 32.065000 - symbol: S # 37 coordinates: [ 0.122542570000000, 0.603256070000000, 0.749164000000000 ] mass: 32.065000 - symbol: S # 38 coordinates: [ 0.854092070000000, 0.373378570000000, 0.250836000000000 ] mass: 32.065000 - symbol: S # 39 coordinates: [ 0.319187020000000, 0.416505780000000, 0.767833500000000 ] mass: 32.065000 - symbol: S # 40 coordinates: [ 0.430812980000000, 0.698646480000000, 0.597318760000000 ] mass: 32.065000 - symbol: S # 41 coordinates: [ 0.601515590000000, 0.530798510000000, 0.707332320000000 ] mass: 32.065000 - symbol: S # 42 coordinates: [ 0.583494220000000, 0.351327720000000, 0.902681240000000 ] mass: 32.065000 - symbol: S # 43 coordinates: [ 0.166505780000000, 0.569187020000000, 0.267833500000000 ] mass: 32.065000 - symbol: S # 44 coordinates: [ 0.448646480000000, 0.680812980000000, 0.097318760000000 ] mass: 32.065000 - symbol: S # 45 coordinates: [ 0.101327720000000, 0.833494220000000, 0.402681240000000 ] mass: 32.065000 - symbol: S # 46 coordinates: [ 0.280798510000000, 0.851515590000000, 0.207332320000000 ] mass: 32.065000 - symbol: S # 47 coordinates: [ 0.802375530000000, 0.857390010000000, 0.775936800000000 ] mass: 32.065000 - symbol: S # 48 coordinates: [ 0.648672280000000, 0.551353520000000, 0.232166500000000 ] mass: 32.065000 - symbol: S # 49 coordinates: [ 0.895907930000000, 0.646743930000000, 0.019286500000000 ] mass: 32.065000 - symbol: S # 50 coordinates: [ 0.926533810000000, 0.719201490000000, 0.570717080000000 ] mass: 32.065000 - symbol: Sn # 51 coordinates: [ 0.622653390000000, 0.877981950000000, 0.793584360000000 ] mass: 118.710000 - symbol: Sn # 52 coordinates: [ 0.627981950000000, 0.872653390000000, 0.293584360000000 ] mass: 118.710000 - symbol: Sn # 53 coordinates: [ 0.122018050000000, 0.915602410000000, 0.744671440000000 ] mass: 118.710000 - symbol: Sn # 54 coordinates: [ 0.170930970000000, 0.377346610000000, 0.255328560000000 ] mass: 118.710000 - symbol: Sn # 55 coordinates: [ 0.665602410000000, 0.372018050000000, 0.244671440000000 ] mass: 118.710000 - symbol: Sn # 56 coordinates: [ 0.127346610000000, 0.420930970000000, 0.755328560000000 ] mass: 118.710000 - symbol: Sn # 57 coordinates: [ 0.579069030000000, 0.334397590000000, 0.706415640000000 ] mass: 118.710000 - symbol: Sn # 58 coordinates: [ 0.084397590000000, 0.829069030000000, 0.206415640000000 ] mass: 118.710000 reciprocal_lattice: # without 2pi - [ -0.000000000000000, 0.068166503709186, 0.068459656610374 ] # a* - [ 0.068166503709186, 0.000000000000000, 0.068459656610374 ] # b* - [ 0.068166503709186, 0.068166503709186, 0.000000000000000 ] # c*unit_cell: lattice: - [ 14.669961720000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 14.669961720000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.607143089999999 ] # c points: - symbol: Ag # 1 coordinates: [ 0.750000000000000, 0.123193520000000, 0.375000000000000 ] mass: 107.868200 reduced_to: 1 - symbol: Ag # 2 coordinates: [ 0.376806480000000, 0.250000000000000, 0.125000000000000 ] mass: 107.868200 reduced_to: 2 - symbol: Ag # 3 coordinates: [ 0.250000000000000, 0.876806480000000, 0.375000000000000 ] mass: 107.868200 reduced_to: 3 - symbol: Ag # 4 coordinates: [ 0.623193520000000, 0.750000000000000, 0.125000000000000 ] mass: 107.868200 reduced_to: 4 - symbol: Ag # 5 coordinates: [ 0.250000000000000, 0.623193520000000, 0.875000000000000 ] mass: 107.868200 reduced_to: 1 - symbol: Ag # 6 coordinates: [ 0.876806480000000, 0.750000000000000, 0.625000000000000 ] mass: 107.868200 reduced_to: 2 - symbol: Ag # 7 coordinates: [ 0.750000000000000, 0.376806480000000, 0.875000000000000 ] mass: 107.868200 reduced_to: 3 - symbol: Ag # 8 coordinates: [ 0.123193520000000, 0.250000000000000, 0.625000000000000 ] mass: 107.868200 reduced_to: 4 - symbol: Ba # 9 coordinates: [ 0.500000000000000, 0.000000000000000, 0.391946880000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 10 coordinates: [ 0.750000000000000, 0.483894320000000, 0.375000000000000 ] mass: 137.327000 reduced_to: 10 - symbol: Ba # 11 coordinates: [ 0.483894320000000, 0.250000000000000, 0.625000000000000 ] mass: 137.327000 reduced_to: 11 - symbol: Ba # 12 coordinates: [ 0.250000000000000, 0.268713720000000, 0.875000000000000 ] mass: 137.327000 reduced_to: 12 - symbol: Ba # 13 coordinates: [ 0.016105680000000, 0.250000000000000, 0.125000000000000 ] mass: 137.327000 reduced_to: 13 - symbol: Ba # 14 coordinates: [ 0.000000000000000, 0.500000000000000, 0.608053120000000 ] mass: 137.327000 reduced_to: 14 - symbol: Ba # 15 coordinates: [ 0.768713720000000, 0.250000000000000, 0.625000000000000 ] mass: 137.327000 reduced_to: 15 - symbol: Ba # 16 coordinates: [ 0.750000000000000, 0.016105680000000, 0.875000000000000 ] mass: 137.327000 reduced_to: 16 - symbol: Ba # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.358053120000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 18 coordinates: [ 0.731286280000000, 0.250000000000000, 0.125000000000000 ] mass: 137.327000 reduced_to: 18 - symbol: Ba # 19 coordinates: [ 0.500000000000000, 0.500000000000000, 0.141946880000000 ] mass: 137.327000 reduced_to: 19 - symbol: Ba # 20 coordinates: [ 0.250000000000000, 0.231286280000000, 0.375000000000000 ] mass: 137.327000 reduced_to: 20 - symbol: Ba # 21 coordinates: [ 0.000000000000000, 0.500000000000000, 0.891946880000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 22 coordinates: [ 0.250000000000000, 0.983894320000000, 0.875000000000000 ] mass: 137.327000 reduced_to: 10 - symbol: Ba # 23 coordinates: [ 0.983894320000000, 0.750000000000000, 0.125000000000000 ] mass: 137.327000 reduced_to: 11 - symbol: Ba # 24 coordinates: [ 0.750000000000000, 0.768713720000000, 0.375000000000000 ] mass: 137.327000 reduced_to: 12 - symbol: Ba # 25 coordinates: [ 0.516105680000000, 0.750000000000000, 0.625000000000000 ] mass: 137.327000 reduced_to: 13 - symbol: Ba # 26 coordinates: [ 0.500000000000000, 0.000000000000000, 0.108053120000000 ] mass: 137.327000 reduced_to: 14 - symbol: Ba # 27 coordinates: [ 0.268713720000000, 0.750000000000000, 0.125000000000000 ] mass: 137.327000 reduced_to: 15 - symbol: Ba # 28 coordinates: [ 0.250000000000000, 0.516105680000000, 0.375000000000000 ] mass: 137.327000 reduced_to: 16 - symbol: Ba # 29 coordinates: [ 0.500000000000000, 0.500000000000000, 0.858053120000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 30 coordinates: [ 0.231286280000000, 0.750000000000000, 0.625000000000000 ] mass: 137.327000 reduced_to: 18 - symbol: Ba # 31 coordinates: [ 0.000000000000000, 0.000000000000000, 0.641946880000000 ] mass: 137.327000 reduced_to: 19 - symbol: Ba # 32 coordinates: [ 0.750000000000000, 0.731286280000000, 0.875000000000000 ] mass: 137.327000 reduced_to: 20 - symbol: Cd # 33 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 112.411000 reduced_to: 33 - symbol: Cd # 34 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 112.411000 reduced_to: 34 - symbol: Cd # 35 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 112.411000 reduced_to: 33 - symbol: Cd # 36 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 112.411000 reduced_to: 34 - symbol: S # 37 coordinates: [ 0.614938750000000, 0.365774750000000, 0.261682680000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 38 coordinates: [ 0.889024700000000, 0.181692380000000, 0.287509110000000 ] mass: 32.065000 reduced_to: 38 - symbol: S # 39 coordinates: [ 0.360461160000000, 0.915475640000000, 0.691914370000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 40 coordinates: [ 0.664742630000000, 0.067423870000000, 0.233929650000000 ] mass: 32.065000 reduced_to: 40 - symbol: S # 41 coordinates: [ 0.365774750000000, 0.114938750000000, 0.511682680000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 42 coordinates: [ 0.860461160000000, 0.084524360000000, 0.058085630000000 ] mass: 32.065000 reduced_to: 42 - symbol: S # 43 coordinates: [ 0.681692380000000, 0.610975300000000, 0.212490890000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 44 coordinates: [ 0.584524360000000, 0.639538840000000, 0.441914370000000 ] mass: 32.065000 reduced_to: 44 - symbol: S # 45 coordinates: [ 0.610975300000000, 0.181692380000000, 0.462490890000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 46 coordinates: [ 0.584524360000000, 0.860461160000000, 0.808085630000000 ] mass: 32.065000 reduced_to: 46 - symbol: S # 47 coordinates: [ 0.915475640000000, 0.639538840000000, 0.308085630000000 ] mass: 32.065000 reduced_to: 47 - symbol: S # 48 coordinates: [ 0.639538840000000, 0.084524360000000, 0.691914370000000 ] mass: 32.065000 reduced_to: 48 - symbol: S # 49 coordinates: [ 0.318307620000000, 0.110975300000000, 0.037509110000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 50 coordinates: [ 0.134225250000000, 0.114938750000000, 0.238317320000000 ] mass: 32.065000 reduced_to: 50 - symbol: S # 51 coordinates: [ 0.365774750000000, 0.385061250000000, 0.738317320000000 ] mass: 32.065000 reduced_to: 51 - symbol: S # 52 coordinates: [ 0.634225250000000, 0.885061250000000, 0.511682680000000 ] mass: 32.065000 reduced_to: 52 - symbol: S # 53 coordinates: [ 0.639538840000000, 0.415475640000000, 0.558085630000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 54 coordinates: [ 0.610975300000000, 0.318307620000000, 0.787509110000000 ] mass: 32.065000 reduced_to: 54 - symbol: S # 55 coordinates: [ 0.614938750000000, 0.134225250000000, 0.988317320000000 ] mass: 32.065000 reduced_to: 55 - symbol: S # 56 coordinates: [ 0.885061250000000, 0.365774750000000, 0.488317320000000 ] mass: 32.065000 reduced_to: 56 - symbol: S # 57 coordinates: [ 0.432576130000000, 0.335257370000000, 0.983929650000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 58 coordinates: [ 0.432576130000000, 0.164742630000000, 0.266070350000000 ] mass: 32.065000 reduced_to: 58 - symbol: S # 59 coordinates: [ 0.318307620000000, 0.389024700000000, 0.212490890000000 ] mass: 32.065000 reduced_to: 59 - symbol: S # 60 coordinates: [ 0.335257370000000, 0.567423870000000, 0.016070350000000 ] mass: 32.065000 reduced_to: 60 - symbol: S # 61 coordinates: [ 0.335257370000000, 0.932576130000000, 0.233929650000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 62 coordinates: [ 0.164742630000000, 0.932576130000000, 0.516070350000000 ] mass: 32.065000 reduced_to: 62 - symbol: S # 63 coordinates: [ 0.067423870000000, 0.335257370000000, 0.766070350000000 ] mass: 32.065000 reduced_to: 63 - symbol: S # 64 coordinates: [ 0.389024700000000, 0.818307620000000, 0.462490890000000 ] mass: 32.065000 reduced_to: 64 - symbol: S # 65 coordinates: [ 0.415475640000000, 0.360461160000000, 0.441914370000000 ] mass: 32.065000 reduced_to: 65 - symbol: S # 66 coordinates: [ 0.567423870000000, 0.664742630000000, 0.983929650000000 ] mass: 32.065000 reduced_to: 66 - symbol: S # 67 coordinates: [ 0.385061250000000, 0.634225250000000, 0.261682680000000 ] mass: 32.065000 reduced_to: 67 - symbol: S # 68 coordinates: [ 0.181692380000000, 0.389024700000000, 0.537509110000000 ] mass: 32.065000 reduced_to: 68 - symbol: S # 69 coordinates: [ 0.114938750000000, 0.865774750000000, 0.761682680000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 70 coordinates: [ 0.389024700000000, 0.681692380000000, 0.787509110000000 ] mass: 32.065000 reduced_to: 38 - symbol: S # 71 coordinates: [ 0.860461160000000, 0.415475640000000, 0.191914370000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 72 coordinates: [ 0.164742630000000, 0.567423870000000, 0.733929650000000 ] mass: 32.065000 reduced_to: 40 - symbol: S # 73 coordinates: [ 0.865774750000000, 0.614938750000000, 0.011682680000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 74 coordinates: [ 0.360461160000000, 0.584524360000000, 0.558085630000000 ] mass: 32.065000 reduced_to: 42 - symbol: S # 75 coordinates: [ 0.181692380000000, 0.110975300000000, 0.712490890000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 76 coordinates: [ 0.084524360000000, 0.139538840000000, 0.941914370000000 ] mass: 32.065000 reduced_to: 44 - symbol: S # 77 coordinates: [ 0.110975300000000, 0.681692380000000, 0.962490890000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 78 coordinates: [ 0.084524360000000, 0.360461160000000, 0.308085630000000 ] mass: 32.065000 reduced_to: 46 - symbol: S # 79 coordinates: [ 0.415475640000000, 0.139538840000000, 0.808085630000000 ] mass: 32.065000 reduced_to: 47 - symbol: S # 80 coordinates: [ 0.139538840000000, 0.584524360000000, 0.191914370000000 ] mass: 32.065000 reduced_to: 48 - symbol: S # 81 coordinates: [ 0.818307620000000, 0.610975300000000, 0.537509110000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 82 coordinates: [ 0.634225250000000, 0.614938750000000, 0.738317320000000 ] mass: 32.065000 reduced_to: 50 - symbol: S # 83 coordinates: [ 0.865774750000000, 0.885061250000000, 0.238317320000000 ] mass: 32.065000 reduced_to: 51 - symbol: S # 84 coordinates: [ 0.134225250000000, 0.385061250000000, 0.011682680000000 ] mass: 32.065000 reduced_to: 52 - symbol: S # 85 coordinates: [ 0.139538840000000, 0.915475640000000, 0.058085630000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 86 coordinates: [ 0.110975300000000, 0.818307620000000, 0.287509110000000 ] mass: 32.065000 reduced_to: 54 - symbol: S # 87 coordinates: [ 0.114938750000000, 0.634225250000000, 0.488317320000000 ] mass: 32.065000 reduced_to: 55 - symbol: S # 88 coordinates: [ 0.385061250000000, 0.865774750000000, 0.988317320000000 ] mass: 32.065000 reduced_to: 56 - symbol: S # 89 coordinates: [ 0.932576130000000, 0.835257370000000, 0.483929650000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 90 coordinates: [ 0.932576130000000, 0.664742630000000, 0.766070350000000 ] mass: 32.065000 reduced_to: 58 - symbol: S # 91 coordinates: [ 0.818307620000000, 0.889024700000000, 0.712490890000000 ] mass: 32.065000 reduced_to: 59 - symbol: S # 92 coordinates: [ 0.835257370000000, 0.067423870000000, 0.516070350000000 ] mass: 32.065000 reduced_to: 60 - symbol: S # 93 coordinates: [ 0.835257370000000, 0.432576130000000, 0.733929650000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 94 coordinates: [ 0.664742630000000, 0.432576130000000, 0.016070350000000 ] mass: 32.065000 reduced_to: 62 - symbol: S # 95 coordinates: [ 0.567423870000000, 0.835257370000000, 0.266070350000000 ] mass: 32.065000 reduced_to: 63 - symbol: S # 96 coordinates: [ 0.889024700000000, 0.318307620000000, 0.962490890000000 ] mass: 32.065000 reduced_to: 64 - symbol: S # 97 coordinates: [ 0.915475640000000, 0.860461160000000, 0.941914370000000 ] mass: 32.065000 reduced_to: 65 - symbol: S # 98 coordinates: [ 0.067423870000000, 0.164742630000000, 0.483929650000000 ] mass: 32.065000 reduced_to: 66 - symbol: S # 99 coordinates: [ 0.885061250000000, 0.134225250000000, 0.761682680000000 ] mass: 32.065000 reduced_to: 67 - symbol: S # 100 coordinates: [ 0.681692380000000, 0.889024700000000, 0.037509110000000 ] mass: 32.065000 reduced_to: 68 - symbol: Sn # 101 coordinates: [ 0.524456460000000, 0.269127900000000, 0.353525490000000 ] mass: 118.710000 reduced_to: 101 - symbol: Sn # 102 coordinates: [ 0.269127900000000, 0.024456460000000, 0.603525490000000 ] mass: 118.710000 reduced_to: 102 - symbol: Sn # 103 coordinates: [ 0.769127900000000, 0.975543540000000, 0.146474510000000 ] mass: 118.710000 reduced_to: 103 - symbol: Sn # 104 coordinates: [ 0.230872100000000, 0.024456460000000, 0.146474510000000 ] mass: 118.710000 reduced_to: 104 - symbol: Sn # 105 coordinates: [ 0.975543540000000, 0.269127900000000, 0.396474510000000 ] mass: 118.710000 reduced_to: 105 - symbol: Sn # 106 coordinates: [ 0.024456460000000, 0.730872100000000, 0.396474510000000 ] mass: 118.710000 reduced_to: 106 - symbol: Sn # 107 coordinates: [ 0.230872100000000, 0.475543540000000, 0.103525490000000 ] mass: 118.710000 reduced_to: 107 - symbol: Sn # 108 coordinates: [ 0.975543540000000, 0.230872100000000, 0.853525490000000 ] mass: 118.710000 reduced_to: 108 - symbol: Sn # 109 coordinates: [ 0.024456460000000, 0.769127900000000, 0.853525490000000 ] mass: 118.710000 reduced_to: 101 - symbol: Sn # 110 coordinates: [ 0.769127900000000, 0.524456460000000, 0.103525490000000 ] mass: 118.710000 reduced_to: 102 - symbol: Sn # 111 coordinates: [ 0.269127900000000, 0.475543540000000, 0.646474510000000 ] mass: 118.710000 reduced_to: 103 - symbol: Sn # 112 coordinates: [ 0.730872100000000, 0.524456460000000, 0.646474510000000 ] mass: 118.710000 reduced_to: 104 - symbol: Sn # 113 coordinates: [ 0.475543540000000, 0.769127900000000, 0.896474510000000 ] mass: 118.710000 reduced_to: 105 - symbol: Sn # 114 coordinates: [ 0.524456460000000, 0.230872100000000, 0.896474510000000 ] mass: 118.710000 reduced_to: 106 - symbol: Sn # 115 coordinates: [ 0.730872100000000, 0.975543540000000, 0.603525490000000 ] mass: 118.710000 reduced_to: 107 - symbol: Sn # 116 coordinates: [ 0.475543540000000, 0.730872100000000, 0.353525490000000 ] mass: 118.710000 reduced_to: 108supercell: lattice: - [ 14.669961720000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 14.669961720000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 14.607143089999999 ] # c points: - symbol: Ag # 1 coordinates: [ 0.750000000000000, 0.123193520000000, 0.375000000000000 ] mass: 107.868200 reduced_to: 1 - symbol: Ag # 2 coordinates: [ 0.376806480000000, 0.250000000000000, 0.125000000000000 ] mass: 107.868200 reduced_to: 2 - symbol: Ag # 3 coordinates: [ 0.250000000000000, 0.876806480000000, 0.375000000000000 ] mass: 107.868200 reduced_to: 3 - symbol: Ag # 4 coordinates: [ 0.623193520000000, 0.750000000000000, 0.125000000000000 ] mass: 107.868200 reduced_to: 4 - symbol: Ag # 5 coordinates: [ 0.250000000000000, 0.623193520000000, 0.875000000000000 ] mass: 107.868200 reduced_to: 1 - symbol: Ag # 6 coordinates: [ 0.876806480000000, 0.750000000000000, 0.625000000000000 ] mass: 107.868200 reduced_to: 2 - symbol: Ag # 7 coordinates: [ 0.750000000000000, 0.376806480000000, 0.875000000000000 ] mass: 107.868200 reduced_to: 3 - symbol: Ag # 8 coordinates: [ 0.123193520000000, 0.250000000000000, 0.625000000000000 ] mass: 107.868200 reduced_to: 4 - symbol: Ba # 9 coordinates: [ 0.500000000000000, 0.000000000000000, 0.391946880000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 10 coordinates: [ 0.750000000000000, 0.483894320000000, 0.375000000000000 ] mass: 137.327000 reduced_to: 10 - symbol: Ba # 11 coordinates: [ 0.483894320000000, 0.250000000000000, 0.625000000000000 ] mass: 137.327000 reduced_to: 11 - symbol: Ba # 12 coordinates: [ 0.250000000000000, 0.268713720000000, 0.875000000000000 ] mass: 137.327000 reduced_to: 12 - symbol: Ba # 13 coordinates: [ 0.016105680000000, 0.250000000000000, 0.125000000000000 ] mass: 137.327000 reduced_to: 13 - symbol: Ba # 14 coordinates: [ 0.000000000000000, 0.500000000000000, 0.608053120000000 ] mass: 137.327000 reduced_to: 14 - symbol: Ba # 15 coordinates: [ 0.768713720000000, 0.250000000000000, 0.625000000000000 ] mass: 137.327000 reduced_to: 15 - symbol: Ba # 16 coordinates: [ 0.750000000000000, 0.016105680000000, 0.875000000000000 ] mass: 137.327000 reduced_to: 16 - symbol: Ba # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.358053120000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 18 coordinates: [ 0.731286280000000, 0.250000000000000, 0.125000000000000 ] mass: 137.327000 reduced_to: 18 - symbol: Ba # 19 coordinates: [ 0.500000000000000, 0.500000000000000, 0.141946880000000 ] mass: 137.327000 reduced_to: 19 - symbol: Ba # 20 coordinates: [ 0.250000000000000, 0.231286280000000, 0.375000000000000 ] mass: 137.327000 reduced_to: 20 - symbol: Ba # 21 coordinates: [ 0.000000000000000, 0.500000000000000, 0.891946880000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 22 coordinates: [ 0.250000000000000, 0.983894320000000, 0.875000000000000 ] mass: 137.327000 reduced_to: 10 - symbol: Ba # 23 coordinates: [ 0.983894320000000, 0.750000000000000, 0.125000000000000 ] mass: 137.327000 reduced_to: 11 - symbol: Ba # 24 coordinates: [ 0.750000000000000, 0.768713720000000, 0.375000000000000 ] mass: 137.327000 reduced_to: 12 - symbol: Ba # 25 coordinates: [ 0.516105680000000, 0.750000000000000, 0.625000000000000 ] mass: 137.327000 reduced_to: 13 - symbol: Ba # 26 coordinates: [ 0.500000000000000, 0.000000000000000, 0.108053120000000 ] mass: 137.327000 reduced_to: 14 - symbol: Ba # 27 coordinates: [ 0.268713720000000, 0.750000000000000, 0.125000000000000 ] mass: 137.327000 reduced_to: 15 - symbol: Ba # 28 coordinates: [ 0.250000000000000, 0.516105680000000, 0.375000000000000 ] mass: 137.327000 reduced_to: 16 - symbol: Ba # 29 coordinates: [ 0.500000000000000, 0.500000000000000, 0.858053120000000 ] mass: 137.327000 reduced_to: 17 - symbol: Ba # 30 coordinates: [ 0.231286280000000, 0.750000000000000, 0.625000000000000 ] mass: 137.327000 reduced_to: 18 - symbol: Ba # 31 coordinates: [ 0.000000000000000, 0.000000000000000, 0.641946880000000 ] mass: 137.327000 reduced_to: 19 - symbol: Ba # 32 coordinates: [ 0.750000000000000, 0.731286280000000, 0.875000000000000 ] mass: 137.327000 reduced_to: 20 - symbol: Cd # 33 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 112.411000 reduced_to: 33 - symbol: Cd # 34 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 112.411000 reduced_to: 34 - symbol: Cd # 35 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 112.411000 reduced_to: 33 - symbol: Cd # 36 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 112.411000 reduced_to: 34 - symbol: S # 37 coordinates: [ 0.614938750000000, 0.365774750000000, 0.261682680000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 38 coordinates: [ 0.889024700000000, 0.181692380000000, 0.287509110000000 ] mass: 32.065000 reduced_to: 38 - symbol: S # 39 coordinates: [ 0.360461160000000, 0.915475640000000, 0.691914370000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 40 coordinates: [ 0.664742630000000, 0.067423870000000, 0.233929650000000 ] mass: 32.065000 reduced_to: 40 - symbol: S # 41 coordinates: [ 0.365774750000000, 0.114938750000000, 0.511682680000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 42 coordinates: [ 0.860461160000000, 0.084524360000000, 0.058085630000000 ] mass: 32.065000 reduced_to: 42 - symbol: S # 43 coordinates: [ 0.681692380000000, 0.610975300000000, 0.212490890000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 44 coordinates: [ 0.584524360000000, 0.639538840000000, 0.441914370000000 ] mass: 32.065000 reduced_to: 44 - symbol: S # 45 coordinates: [ 0.610975300000000, 0.181692380000000, 0.462490890000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 46 coordinates: [ 0.584524360000000, 0.860461160000000, 0.808085630000000 ] mass: 32.065000 reduced_to: 46 - symbol: S # 47 coordinates: [ 0.915475640000000, 0.639538840000000, 0.308085630000000 ] mass: 32.065000 reduced_to: 47 - symbol: S # 48 coordinates: [ 0.639538840000000, 0.084524360000000, 0.691914370000000 ] mass: 32.065000 reduced_to: 48 - symbol: S # 49 coordinates: [ 0.318307620000000, 0.110975300000000, 0.037509110000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 50 coordinates: [ 0.134225250000000, 0.114938750000000, 0.238317320000000 ] mass: 32.065000 reduced_to: 50 - symbol: S # 51 coordinates: [ 0.365774750000000, 0.385061250000000, 0.738317320000000 ] mass: 32.065000 reduced_to: 51 - symbol: S # 52 coordinates: [ 0.634225250000000, 0.885061250000000, 0.511682680000000 ] mass: 32.065000 reduced_to: 52 - symbol: S # 53 coordinates: [ 0.639538840000000, 0.415475640000000, 0.558085630000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 54 coordinates: [ 0.610975300000000, 0.318307620000000, 0.787509110000000 ] mass: 32.065000 reduced_to: 54 - symbol: S # 55 coordinates: [ 0.614938750000000, 0.134225250000000, 0.988317320000000 ] mass: 32.065000 reduced_to: 55 - symbol: S # 56 coordinates: [ 0.885061250000000, 0.365774750000000, 0.488317320000000 ] mass: 32.065000 reduced_to: 56 - symbol: S # 57 coordinates: [ 0.432576130000000, 0.335257370000000, 0.983929650000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 58 coordinates: [ 0.432576130000000, 0.164742630000000, 0.266070350000000 ] mass: 32.065000 reduced_to: 58 - symbol: S # 59 coordinates: [ 0.318307620000000, 0.389024700000000, 0.212490890000000 ] mass: 32.065000 reduced_to: 59 - symbol: S # 60 coordinates: [ 0.335257370000000, 0.567423870000000, 0.016070350000000 ] mass: 32.065000 reduced_to: 60 - symbol: S # 61 coordinates: [ 0.335257370000000, 0.932576130000000, 0.233929650000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 62 coordinates: [ 0.164742630000000, 0.932576130000000, 0.516070350000000 ] mass: 32.065000 reduced_to: 62 - symbol: S # 63 coordinates: [ 0.067423870000000, 0.335257370000000, 0.766070350000000 ] mass: 32.065000 reduced_to: 63 - symbol: S # 64 coordinates: [ 0.389024700000000, 0.818307620000000, 0.462490890000000 ] mass: 32.065000 reduced_to: 64 - symbol: S # 65 coordinates: [ 0.415475640000000, 0.360461160000000, 0.441914370000000 ] mass: 32.065000 reduced_to: 65 - symbol: S # 66 coordinates: [ 0.567423870000000, 0.664742630000000, 0.983929650000000 ] mass: 32.065000 reduced_to: 66 - symbol: S # 67 coordinates: [ 0.385061250000000, 0.634225250000000, 0.261682680000000 ] mass: 32.065000 reduced_to: 67 - symbol: S # 68 coordinates: [ 0.181692380000000, 0.389024700000000, 0.537509110000000 ] mass: 32.065000 reduced_to: 68 - symbol: S # 69 coordinates: [ 0.114938750000000, 0.865774750000000, 0.761682680000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 70 coordinates: [ 0.389024700000000, 0.681692380000000, 0.787509110000000 ] mass: 32.065000 reduced_to: 38 - symbol: S # 71 coordinates: [ 0.860461160000000, 0.415475640000000, 0.191914370000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 72 coordinates: [ 0.164742630000000, 0.567423870000000, 0.733929650000000 ] mass: 32.065000 reduced_to: 40 - symbol: S # 73 coordinates: [ 0.865774750000000, 0.614938750000000, 0.011682680000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 74 coordinates: [ 0.360461160000000, 0.584524360000000, 0.558085630000000 ] mass: 32.065000 reduced_to: 42 - symbol: S # 75 coordinates: [ 0.181692380000000, 0.110975300000000, 0.712490890000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 76 coordinates: [ 0.084524360000000, 0.139538840000000, 0.941914370000000 ] mass: 32.065000 reduced_to: 44 - symbol: S # 77 coordinates: [ 0.110975300000000, 0.681692380000000, 0.962490890000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 78 coordinates: [ 0.084524360000000, 0.360461160000000, 0.308085630000000 ] mass: 32.065000 reduced_to: 46 - symbol: S # 79 coordinates: [ 0.415475640000000, 0.139538840000000, 0.808085630000000 ] mass: 32.065000 reduced_to: 47 - symbol: S # 80 coordinates: [ 0.139538840000000, 0.584524360000000, 0.191914370000000 ] mass: 32.065000 reduced_to: 48 - symbol: S # 81 coordinates: [ 0.818307620000000, 0.610975300000000, 0.537509110000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 82 coordinates: [ 0.634225250000000, 0.614938750000000, 0.738317320000000 ] mass: 32.065000 reduced_to: 50 - symbol: S # 83 coordinates: [ 0.865774750000000, 0.885061250000000, 0.238317320000000 ] mass: 32.065000 reduced_to: 51 - symbol: S # 84 coordinates: [ 0.134225250000000, 0.385061250000000, 0.011682680000000 ] mass: 32.065000 reduced_to: 52 - symbol: S # 85 coordinates: [ 0.139538840000000, 0.915475640000000, 0.058085630000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 86 coordinates: [ 0.110975300000000, 0.818307620000000, 0.287509110000000 ] mass: 32.065000 reduced_to: 54 - symbol: S # 87 coordinates: [ 0.114938750000000, 0.634225250000000, 0.488317320000000 ] mass: 32.065000 reduced_to: 55 - symbol: S # 88 coordinates: [ 0.385061250000000, 0.865774750000000, 0.988317320000000 ] mass: 32.065000 reduced_to: 56 - symbol: S # 89 coordinates: [ 0.932576130000000, 0.835257370000000, 0.483929650000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 90 coordinates: [ 0.932576130000000, 0.664742630000000, 0.766070350000000 ] mass: 32.065000 reduced_to: 58 - symbol: S # 91 coordinates: [ 0.818307620000000, 0.889024700000000, 0.712490890000000 ] mass: 32.065000 reduced_to: 59 - symbol: S # 92 coordinates: [ 0.835257370000000, 0.067423870000000, 0.516070350000000 ] mass: 32.065000 reduced_to: 60 - symbol: S # 93 coordinates: [ 0.835257370000000, 0.432576130000000, 0.733929650000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 94 coordinates: [ 0.664742630000000, 0.432576130000000, 0.016070350000000 ] mass: 32.065000 reduced_to: 62 - symbol: S # 95 coordinates: [ 0.567423870000000, 0.835257370000000, 0.266070350000000 ] mass: 32.065000 reduced_to: 63 - symbol: S # 96 coordinates: [ 0.889024700000000, 0.318307620000000, 0.962490890000000 ] mass: 32.065000 reduced_to: 64 - symbol: S # 97 coordinates: [ 0.915475640000000, 0.860461160000000, 0.941914370000000 ] mass: 32.065000 reduced_to: 65 - symbol: S # 98 coordinates: [ 0.067423870000000, 0.164742630000000, 0.483929650000000 ] mass: 32.065000 reduced_to: 66 - symbol: S # 99 coordinates: [ 0.885061250000000, 0.134225250000000, 0.761682680000000 ] mass: 32.065000 reduced_to: 67 - symbol: S # 100 coordinates: [ 0.681692380000000, 0.889024700000000, 0.037509110000000 ] mass: 32.065000 reduced_to: 68 - symbol: Sn # 101 coordinates: [ 0.524456460000000, 0.269127900000000, 0.353525490000000 ] mass: 118.710000 reduced_to: 101 - symbol: Sn # 102 coordinates: [ 0.269127900000000, 0.024456460000000, 0.603525490000000 ] mass: 118.710000 reduced_to: 102 - symbol: Sn # 103 coordinates: [ 0.769127900000000, 0.975543540000000, 0.146474510000000 ] mass: 118.710000 reduced_to: 103 - symbol: Sn # 104 coordinates: [ 0.230872100000000, 0.024456460000000, 0.146474510000000 ] mass: 118.710000 reduced_to: 104 - symbol: Sn # 105 coordinates: [ 0.975543540000000, 0.269127900000000, 0.396474510000000 ] mass: 118.710000 reduced_to: 105 - symbol: Sn # 106 coordinates: [ 0.024456460000000, 0.730872100000000, 0.396474510000000 ] mass: 118.710000 reduced_to: 106 - symbol: Sn # 107 coordinates: [ 0.230872100000000, 0.475543540000000, 0.103525490000000 ] mass: 118.710000 reduced_to: 107 - symbol: Sn # 108 coordinates: [ 0.975543540000000, 0.230872100000000, 0.853525490000000 ] mass: 118.710000 reduced_to: 108 - symbol: Sn # 109 coordinates: [ 0.024456460000000, 0.769127900000000, 0.853525490000000 ] mass: 118.710000 reduced_to: 101 - symbol: Sn # 110 coordinates: [ 0.769127900000000, 0.524456460000000, 0.103525490000000 ] mass: 118.710000 reduced_to: 102 - symbol: Sn # 111 coordinates: [ 0.269127900000000, 0.475543540000000, 0.646474510000000 ] mass: 118.710000 reduced_to: 103 - symbol: Sn # 112 coordinates: [ 0.730872100000000, 0.524456460000000, 0.646474510000000 ] mass: 118.710000 reduced_to: 104 - symbol: Sn # 113 coordinates: [ 0.475543540000000, 0.769127900000000, 0.896474510000000 ] mass: 118.710000 reduced_to: 105 - symbol: Sn # 114 coordinates: [ 0.524456460000000, 0.230872100000000, 0.896474510000000 ] mass: 118.710000 reduced_to: 106 - symbol: Sn # 115 coordinates: [ 0.730872100000000, 0.975543540000000, 0.603525490000000 ] mass: 118.710000 reduced_to: 107 - symbol: Sn # 116 coordinates: [ 0.475543540000000, 0.730872100000000, 0.353525490000000 ] mass: 118.710000 reduced_to: 108displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0364562300000000, -0.0006333000000000, -0.0006776100000000 ] - [ 0.0005195700000000, -0.0000264700000000, 0.0001354000000000 ] - [ 0.0000897700000000, 0.0003681000000000, -0.0000138000000000 ] - [ -0.0004037300000000, 0.0000278500000000, 0.0000544000000000 ] - [ 0.0000300400000000, -0.0003673600000000, -0.0000019600000000 ] - [ 0.0003309400000000, -0.0000259300000000, 0.0000549000000000 ] - [ -0.0001123200000000, 0.0003679500000000, -0.0000182200000000 ] - [ -0.0002160000000000, 0.0000271000000000, 0.0001353100000000 ] - [ 0.0013002600000000, 0.0012869900000000, 0.0000878300000000 ] - [ -0.0005770600000000, 0.0002447500000000, -0.0000954200000000 ] - [ 0.0007655600000000, -0.0004554400000000, -0.0011031600000000 ] - [ 0.0002144200000000, 0.0001024400000000, -0.0000188100000000 ] - [ 0.0002787800000000, 0.0004516600000000, -0.0011009100000000 ] - [ 0.0001263400000000, 0.0001703000000000, 0.0000628500000000 ] - [ -0.0009989700000000, 0.0003586500000000, 0.0001346900000000 ] - [ -0.0002320900000000, -0.0002424700000000, -0.0000105300000000 ] - [ 0.0013279700000000, -0.0012956500000000, -0.0001510400000000 ] - [ -0.0011989300000000, -0.0003583300000000, 0.0001257700000000 ] - [ 0.0001267000000000, -0.0001684700000000, 0.0002986400000000 ] - [ 0.0008534100000000, -0.0001023400000000, 0.0000286500000000 ] - [ -0.0000130300000000, 0.0000580000000000, 0.0000720100000000 ] - [ 0.0001525400000000, 0.0002426900000000, 0.0000170700000000 ] - [ 0.0002592500000000, -0.0000107500000000, -0.0000451900000000 ] - [ -0.0002878000000000, 0.0001012200000000, 0.0000006900000000 ] - [ -0.0002254600000000, 0.0000127400000000, -0.0000448000000000 ] - [ 0.0003946700000000, 0.0004000400000000, 0.0002617300000000 ] - [ 0.0002285000000000, 0.0000207600000000, -0.0000062300000000 ] - [ 0.0004287600000000, -0.0002413000000000, 0.0000805800000000 ] - [ -0.0000131700000000, -0.0000569500000000, -0.0001650100000000 ] - [ 0.0000242300000000, -0.0000192900000000, -0.0000056000000000 ] - [ 0.0003920100000000, -0.0004002200000000, 0.0005008300000000 ] - [ -0.0001053700000000, -0.0001004700000000, 0.0000085300000000 ] - [ -0.0000693900000000, -0.0003062700000000, -0.0001639300000000 ] - [ 0.0000176300000000, 0.0000996600000000, -0.0000200800000000 ] - [ 0.0000156100000000, -0.0000976500000000, -0.0000192100000000 ] - [ -0.0000696600000000, 0.0003079600000000, -0.0001642500000000 ] - [ 0.0000728200000000, 0.0005303900000000, -0.0007357800000000 ] - [ 0.0125807700000000, 0.0058349700000000, -0.0116031600000000 ] - [ -0.0001888200000000, -0.0001070500000000, 0.0000351200000000 ] - [ 0.0050036700000000, 0.0026359400000000, 0.0089333700000000 ] - [ -0.0005478100000000, -0.0002773700000000, 0.0000276900000000 ] - [ 0.0002781600000000, 0.0002492200000000, 0.0002397800000000 ] - [ 0.0001643500000000, 0.0000100000000000, 0.0001877400000000 ] - [ 0.0000921600000000, 0.0000915300000000, 0.0000241500000000 ] - [ 0.0120376300000000, -0.0055545400000000, -0.0106353700000000 ] - [ 0.0000790600000000, -0.0000861000000000, 0.0000322500000000 ] - [ -0.0000533600000000, 0.0000530400000000, 0.0000209700000000 ] - [ 0.0004140700000000, -0.0000998400000000, 0.0002461100000000 ] - [ -0.0003202300000000, -0.0000891600000000, -0.0002598600000000 ] - [ -0.0004220600000000, 0.0001610800000000, 0.0003609700000000 ] - [ -0.0003529500000000, 0.0002981500000000, 0.0002552200000000 ] - [ 0.0004168700000000, -0.0000051200000000, 0.0000051600000000 ] - [ 0.0005261200000000, 0.0002347500000000, 0.0002157500000000 ] - [ 0.0001184400000000, 0.0001019200000000, -0.0001398800000000 ] - [ -0.0000585000000000, 0.0001892500000000, 0.0000146200000000 ] - [ 0.0001862600000000, -0.0006499600000000, -0.0004002000000000 ] - [ 0.0001350700000000, -0.0000199500000000, 0.0002041200000000 ] - [ -0.0007064900000000, 0.0001296700000000, -0.0007029300000000 ] - [ -0.0002400900000000, 0.0000683300000000, 0.0001845400000000 ] - [ -0.0001641500000000, -0.0001983200000000, -0.0002213300000000 ] - [ -0.0003505500000000, 0.0001915300000000, 0.0001518400000000 ] - [ -0.0002884100000000, 0.0001929800000000, -0.0002505800000000 ] - [ -0.0002483100000000, -0.0000405900000000, -0.0001979400000000 ] - [ -0.0001270300000000, -0.0001145600000000, 0.0003025600000000 ] - [ -0.0007401800000000, 0.0006518300000000, -0.0001807600000000 ] - [ -0.0001774300000000, 0.0000480700000000, 0.0002072000000000 ] - [ -0.0000666400000000, 0.0000204900000000, -0.0001901300000000 ] - [ -0.0002773900000000, -0.0000851200000000, -0.0002669500000000 ] - [ -0.0001264400000000, 0.0000139600000000, -0.0002178800000000 ] - [ -0.0000202200000000, -0.0000298300000000, -0.0002374100000000 ] - [ 0.0003818500000000, -0.0003805100000000, 0.0002201100000000 ] - [ -0.0001016600000000, -0.0001845900000000, 0.0001797100000000 ] - [ 0.0000139100000000, -0.0001353200000000, -0.0000975600000000 ] - [ -0.0002676000000000, 0.0001230200000000, 0.0000675700000000 ] - [ -0.0003580200000000, 0.0001071700000000, 0.0001897300000000 ] - [ 0.0000102600000000, 0.0001545800000000, 0.0001054200000000 ] - [ -0.0000026400000000, -0.0000072300000000, 0.0002133100000000 ] - [ -0.0005988700000000, -0.0007977400000000, -0.0001856200000000 ] - [ -0.0001368900000000, -0.0000080100000000, 0.0001034500000000 ] - [ -0.0001234500000000, 0.0000228400000000, 0.0000718200000000 ] - [ 0.0002018100000000, 0.0000073000000000, -0.0002625600000000 ] - [ 0.0001377200000000, 0.0000194300000000, 0.0002362500000000 ] - [ 0.0002961400000000, 0.0001213700000000, 0.0003461500000000 ] - [ -0.0002281000000000, -0.0001810800000000, -0.0000794700000000 ] - [ -0.0000442400000000, -0.0000374200000000, 0.0000321400000000 ] - [ -0.0001097100000000, 0.0001525000000000, -0.0001471300000000 ] - [ -0.0001831500000000, 0.0001045200000000, 0.0001444100000000 ] - [ -0.0000115100000000, -0.0001376700000000, 0.0001167700000000 ] - [ 0.0001566000000000, 0.0001604400000000, 0.0002406700000000 ] - [ 0.0002072500000000, 0.0000137300000000, -0.0001948100000000 ] - [ 0.0003343500000000, -0.0001149300000000, 0.0003363100000000 ] - [ 0.0049638500000000, -0.0031117800000000, 0.0087559400000000 ] - [ 0.0001348600000000, 0.0001709700000000, 0.0001571300000000 ] - [ 0.0001971300000000, 0.0002130600000000, -0.0002438500000000 ] - [ -0.0002261900000000, -0.0002220200000000, -0.0001611700000000 ] - [ 0.0001013400000000, -0.0000627600000000, 0.0003096700000000 ] - [ -0.0000663100000000, -0.0000573600000000, 0.0000361400000000 ] - [ -0.0010950800000000, -0.0000688100000000, -0.0002996200000000 ] - [ 0.0000572300000000, -0.0000632200000000, -0.0003200500000000 ] - [ 0.0002962700000000, 0.0000906600000000, -0.0001205300000000 ] - [ 0.0026641600000000, -0.0025228100000000, 0.0026740500000000 ] - [ 0.0007067200000000, -0.0001412400000000, -0.0004221000000000 ] - [ -0.0021539100000000, 0.0015138600000000, 0.0010021600000000 ] - [ 0.0002948800000000, -0.0006036700000000, -0.0001542500000000 ] - [ 0.0034337900000000, 0.0029435800000000, 0.0029512500000000 ] - [ -0.0002532100000000, -0.0002812400000000, 0.0000627100000000 ] - [ 0.0001180100000000, 0.0003727400000000, -0.0000150200000000 ] - [ 0.0004782600000000, -0.0001020700000000, -0.0001518000000000 ] - [ -0.0003881600000000, 0.0001851200000000, -0.0001189700000000 ] - [ -0.0002514000000000, -0.0002080400000000, -0.0002772600000000 ] - [ 0.0005287100000000, 0.0003734700000000, 0.0002550800000000 ] - [ -0.0006605400000000, -0.0005344400000000, -0.0000083800000000 ] - [ 0.0003594300000000, 0.0002261300000000, 0.0001502100000000 ] - [ -0.0002668500000000, -0.0003085300000000, 0.0001163500000000 ] - [ -0.0025638900000000, -0.0007677500000000, 0.0007471800000000 ] - [ 0.0004907000000000, -0.0001260400000000, -0.0002046700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0068730400000000, 0.0000000000000000 ] - [ 0.0003281900000000, -0.0000335800000000, -0.0001067000000000 ] - [ 0.0000000000000000, 0.0003439300000000, 0.0000000000000000 ] - [ -0.0003284100000000, 0.0001548200000000, -0.0000129900000000 ] - [ 0.0000000000000000, -0.0003202800000000, 0.0000000000000000 ] - [ 0.0003284100000000, 0.0001548200000000, 0.0000129900000000 ] - [ 0.0000000000000000, 0.0003503100000000, 0.0000000000000000 ] - [ -0.0003281900000000, -0.0000335800000000, 0.0001067000000000 ] - [ 0.0004829900000000, -0.0009534600000000, -0.0006034000000000 ] - [ 0.0000000000000000, 0.0006319500000000, 0.0000000000000000 ] - [ -0.0000122100000000, 0.0004733600000000, 0.0010387400000000 ] - [ 0.0000000000000000, 0.0000238500000000, 0.0000000000000000 ] - [ 0.0000122100000000, 0.0004733600000000, -0.0010387400000000 ] - [ 0.0000652300000000, 0.0001678900000000, 0.0000336000000000 ] - [ 0.0008263500000000, -0.0009993000000000, 0.0004400800000000 ] - [ 0.0000000000000000, -0.0002203500000000, 0.0000000000000000 ] - [ -0.0004829900000000, -0.0009534600000000, 0.0006034000000000 ] - [ -0.0008263500000000, -0.0009993000000000, -0.0004400800000000 ] - [ -0.0000652300000000, 0.0001678900000000, -0.0000336000000000 ] - [ 0.0000000000000000, -0.0000530600000000, 0.0000000000000000 ] - [ -0.0000549400000000, 0.0000504700000000, 0.0000843700000000 ] - [ 0.0000000000000000, 0.0001795800000000, 0.0000000000000000 ] - [ 0.0000928200000000, 0.0001718900000000, 0.0000726600000000 ] - [ 0.0000000000000000, 0.0004745100000000, 0.0000000000000000 ] - [ -0.0000928200000000, 0.0001718900000000, -0.0000726600000000 ] - [ 0.0010858600000000, 0.0004389200000000, 0.0001294500000000 ] - [ 0.0001271700000000, 0.0000496300000000, -0.0000515900000000 ] - [ 0.0000000000000000, -0.0000186300000000, 0.0000000000000000 ] - [ 0.0000549400000000, 0.0000504700000000, -0.0000843700000000 ] - [ -0.0001271700000000, 0.0000496300000000, 0.0000515900000000 ] - [ -0.0010858600000000, 0.0004389200000000, -0.0001294500000000 ] - [ 0.0000000000000000, 0.0001370600000000, 0.0000000000000000 ] - [ 0.0001021200000000, 0.0002931700000000, 0.0000601600000000 ] - [ 0.0002153100000000, 0.0000158600000000, 0.0000029500000000 ] - [ -0.0002153100000000, 0.0000158600000000, -0.0000029500000000 ] - [ -0.0001021200000000, 0.0002931700000000, -0.0000601600000000 ] - [ -0.0000321900000000, -0.0003379800000000, 0.0004205600000000 ] - [ 0.0003322100000000, 0.0004095700000000, -0.0017920300000000 ] - [ -0.0001493500000000, 0.0000153800000000, -0.0000851200000000 ] - [ 0.0013904200000000, 0.0002251700000000, 0.0004797200000000 ] - [ 0.0002800700000000, 0.0003344300000000, -0.0004521300000000 ] - [ 0.0005144300000000, 0.0002619100000000, -0.0001379100000000 ] - [ -0.0000039600000000, -0.0001704700000000, 0.0002399600000000 ] - [ 0.0000366200000000, -0.0001456400000000, 0.0000494900000000 ] - [ -0.0003322100000000, 0.0004095700000000, 0.0017920300000000 ] - [ -0.0000452900000000, -0.0001565000000000, -0.0000258500000000 ] - [ -0.0000366200000000, -0.0001456400000000, -0.0000494900000000 ] - [ -0.0005144300000000, 0.0002619100000000, 0.0001379100000000 ] - [ -0.0000952800000000, 0.0001653200000000, -0.0000381400000000 ] - [ -0.0002800700000000, 0.0003344300000000, 0.0004521300000000 ] - [ 0.0000843100000000, -0.0001354800000000, 0.0000451900000000 ] - [ -0.0005574500000000, -0.0002724700000000, -0.0001559800000000 ] - [ -0.0001035100000000, -0.0002891700000000, -0.0001901800000000 ] - [ -0.0001081200000000, 0.0001694000000000, -0.0004104500000000 ] - [ -0.0003523600000000, 0.0004901900000000, -0.0001894400000000 ] - [ 0.0000321900000000, -0.0003379800000000, -0.0004205600000000 ] - [ 0.0001126800000000, 0.0000818000000000, 0.0002238800000000 ] - [ 0.0003137500000000, 0.0003046200000000, 0.0003558500000000 ] - [ -0.0000108000000000, -0.0000979300000000, 0.0003333600000000 ] - [ -0.0000774500000000, -0.0002657200000000, -0.0001379300000000 ] - [ -0.0002074700000000, 0.0003520100000000, 0.0003054300000000 ] - [ 0.0002074700000000, 0.0003520100000000, -0.0003054300000000 ] - [ -0.0001126800000000, 0.0000818000000000, -0.0002238800000000 ] - [ -0.0001147400000000, 0.0000195700000000, 0.0002190900000000 ] - [ 0.0001929900000000, -0.0005557400000000, 0.0001178400000000 ] - [ -0.0002668400000000, -0.0000907400000000, 0.0001826300000000 ] - [ -0.0000455600000000, -0.0000905500000000, -0.0001745700000000 ] - [ 0.0000108000000000, -0.0000979300000000, -0.0003333600000000 ] - [ 0.0000672500000000, -0.0002331100000000, -0.0000476800000000 ] - [ -0.0000704200000000, -0.0000846800000000, -0.0002665600000000 ] - [ 0.0001035100000000, -0.0002891700000000, 0.0001901800000000 ] - [ 0.0000774500000000, -0.0002657200000000, 0.0001379300000000 ] - [ -0.0000654700000000, -0.0002040300000000, -0.0000744500000000 ] - [ -0.0000541500000000, -0.0000622300000000, -0.0000739500000000 ] - [ 0.0000952800000000, 0.0001653200000000, 0.0000381400000000 ] - [ 0.0002861800000000, 0.0002274000000000, 0.0001195500000000 ] - [ 0.0000704200000000, -0.0000846800000000, 0.0002665600000000 ] - [ -0.0001929900000000, -0.0005557400000000, -0.0001178400000000 ] - [ -0.0002861800000000, 0.0002274000000000, -0.0001195500000000 ] - [ 0.0000541500000000, -0.0000622300000000, 0.0000739500000000 ] - [ 0.0000039600000000, -0.0001704700000000, -0.0002399600000000 ] - [ 0.0000654700000000, -0.0002040300000000, 0.0000744500000000 ] - [ 0.0005574500000000, -0.0002724700000000, 0.0001559800000000 ] - [ -0.0000843100000000, -0.0001354800000000, -0.0000451900000000 ] - [ 0.0001493500000000, 0.0000153800000000, 0.0000851200000000 ] - [ 0.0001147400000000, 0.0000195700000000, -0.0002190900000000 ] - [ 0.0000455600000000, -0.0000905500000000, 0.0001745700000000 ] - [ -0.0000672500000000, -0.0002331100000000, 0.0000476800000000 ] - [ 0.0003933800000000, -0.0002086000000000, 0.0000446800000000 ] - [ 0.0002668400000000, -0.0000907400000000, -0.0001826300000000 ] - [ -0.0001393700000000, -0.0004701200000000, 0.0006051400000000 ] - [ -0.0013904200000000, 0.0002251700000000, -0.0004797200000000 ] - [ -0.0000137800000000, 0.0002033400000000, 0.0001066600000000 ] - [ 0.0000137800000000, 0.0002033400000000, -0.0001066600000000 ] - [ -0.0003933800000000, -0.0002086000000000, -0.0000446800000000 ] - [ 0.0001081200000000, 0.0001694000000000, 0.0004104500000000 ] - [ 0.0000452900000000, -0.0001565000000000, 0.0000258500000000 ] - [ -0.0003137500000000, 0.0003046200000000, -0.0003558500000000 ] - [ 0.0003523600000000, 0.0004901900000000, 0.0001894400000000 ] - [ 0.0001393700000000, -0.0004701200000000, -0.0006051400000000 ] - [ -0.0024823600000000, 0.0019496200000000, -0.0025532000000000 ] - [ 0.0000282000000000, -0.0007914900000000, 0.0002794900000000 ] - [ -0.0020900500000000, 0.0022332100000000, 0.0022480300000000 ] - [ -0.0000282000000000, -0.0007914900000000, -0.0002794900000000 ] - [ 0.0024823600000000, 0.0019496200000000, 0.0025532000000000 ] - [ -0.0005561700000000, -0.0000037200000000, 0.0002475800000000 ] - [ -0.0001324800000000, 0.0005270800000000, -0.0001672800000000 ] - [ -0.0000413100000000, -0.0006445700000000, -0.0003163800000000 ] - [ -0.0004255400000000, 0.0003568500000000, -0.0001856700000000 ] - [ 0.0000857600000000, -0.0001735300000000, -0.0003245100000000 ] - [ 0.0001324800000000, 0.0005270800000000, 0.0001672800000000 ] - [ -0.0000857600000000, -0.0001735300000000, 0.0003245100000000 ] - [ 0.0004255400000000, 0.0003568500000000, 0.0001856700000000 ] - [ 0.0000413100000000, -0.0006445700000000, 0.0003163800000000 ] - [ 0.0020900500000000, 0.0022332100000000, -0.0022480300000000 ] - [ 0.0005561700000000, -0.0000037200000000, -0.0002475800000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0057761900000000, 0.0000000000000000 ] - [ 0.0004067000000000, 0.0000368600000000, 0.0001074300000000 ] - [ 0.0000000000000000, 0.0003946900000000, 0.0000000000000000 ] - [ -0.0004067400000000, -0.0001513300000000, 0.0000129200000000 ] - [ 0.0000000000000000, -0.0004119800000000, 0.0000000000000000 ] - [ 0.0004067400000000, -0.0001513300000000, -0.0000129200000000 ] - [ 0.0000000000000000, 0.0003882200000000, 0.0000000000000000 ] - [ -0.0004067000000000, 0.0000368600000000, -0.0001074300000000 ] - [ -0.0004894600000000, 0.0009511900000000, 0.0008279100000000 ] - [ 0.0000000000000000, -0.0001397800000000, 0.0000000000000000 ] - [ 0.0005053500000000, -0.0004688600000000, -0.0010371800000000 ] - [ 0.0000000000000000, 0.0001751300000000, 0.0000000000000000 ] - [ -0.0005053500000000, -0.0004688600000000, 0.0010371800000000 ] - [ -0.0000654700000000, -0.0001643800000000, -0.0002593800000000 ] - [ -0.0006324800000000, 0.0010078800000000, -0.0004351800000000 ] - [ 0.0000000000000000, -0.0002706100000000, 0.0000000000000000 ] - [ 0.0004894600000000, 0.0009511900000000, -0.0008279100000000 ] - [ 0.0006324800000000, 0.0010078800000000, 0.0004351800000000 ] - [ 0.0000654700000000, -0.0001643800000000, 0.0002593800000000 ] - [ 0.0000000000000000, -0.0001380700000000, 0.0000000000000000 ] - [ 0.0000556000000000, -0.0000471200000000, 0.0001411900000000 ] - [ 0.0000000000000000, 0.0003167500000000, 0.0000000000000000 ] - [ 0.0004006700000000, -0.0001691700000000, -0.0000725900000000 ] - [ 0.0000000000000000, -0.0002712100000000, 0.0000000000000000 ] - [ -0.0004006700000000, -0.0001691700000000, 0.0000725900000000 ] - [ -0.0010866100000000, -0.0004369900000000, -0.0003552500000000 ] - [ 0.0000680700000000, -0.0000469300000000, 0.0000514500000000 ] - [ 0.0000000000000000, -0.0004717400000000, 0.0000000000000000 ] - [ -0.0000556000000000, -0.0000471200000000, -0.0001411900000000 ] - [ -0.0000680700000000, -0.0000469300000000, -0.0000514500000000 ] - [ 0.0010866100000000, -0.0004369900000000, 0.0003552500000000 ] - [ 0.0000000000000000, -0.0003281100000000, 0.0000000000000000 ] - [ -0.0001024100000000, -0.0002900600000000, -0.0000601300000000 ] - [ -0.0002149200000000, -0.0000128100000000, -0.0000029800000000 ] - [ 0.0002149200000000, -0.0000128100000000, 0.0000029800000000 ] - [ 0.0001024100000000, -0.0002900600000000, 0.0000601300000000 ] - [ -0.0000847000000000, 0.0002246100000000, -0.0007622500000000 ] - [ -0.0003333200000000, -0.0004596900000000, 0.0013390800000000 ] - [ -0.0000008300000000, -0.0001624400000000, 0.0000873100000000 ] - [ -0.0013314100000000, -0.0005948100000000, -0.0000914800000000 ] - [ -0.0004006700000000, -0.0004418100000000, 0.0001099800000000 ] - [ -0.0006653600000000, -0.0001085300000000, 0.0001329400000000 ] - [ -0.0000309000000000, 0.0001870300000000, 0.0002064900000000 ] - [ 0.0001138800000000, 0.0003000800000000, -0.0000470300000000 ] - [ 0.0003333200000000, -0.0004596900000000, -0.0013390800000000 ] - [ 0.0001965300000000, 0.0000093300000000, 0.0000232000000000 ] - [ -0.0001138800000000, 0.0003000800000000, 0.0000470300000000 ] - [ 0.0006653600000000, -0.0001085300000000, -0.0001329400000000 ] - [ 0.0001297200000000, -0.0001484100000000, -0.0004085000000000 ] - [ 0.0004006700000000, -0.0004418100000000, -0.0001099800000000 ] - [ -0.0002074100000000, 0.0002503500000000, 0.0002968700000000 ] - [ 0.0006796400000000, 0.0003822400000000, -0.0001801100000000 ] - [ 0.0002544100000000, 0.0001414900000000, 0.0001876500000000 ] - [ 0.0001216700000000, -0.0001313900000000, -0.0000355700000000 ] - [ 0.0002414600000000, -0.0003658100000000, 0.0005330400000000 ] - [ 0.0000847000000000, 0.0002246100000000, 0.0007622500000000 ] - [ 0.0002746600000000, -0.0001406900000000, 0.0001738000000000 ] - [ 0.0000708900000000, -0.0002394100000000, -0.0007534300000000 ] - [ 0.0000457500000000, 0.0000877200000000, 0.0001135400000000 ] - [ 0.0000154200000000, -0.0001186700000000, -0.0002598000000000 ] - [ 0.0001445000000000, 0.0000388100000000, 0.0000924900000000 ] - [ -0.0001445000000000, 0.0000388100000000, -0.0000924900000000 ] - [ -0.0002746600000000, -0.0001406900000000, -0.0001738000000000 ] - [ 0.0001010400000000, 0.0000182300000000, 0.0002278800000000 ] - [ -0.0003448300000000, 0.0004079800000000, -0.0001157400000000 ] - [ -0.0001203200000000, 0.0001560300000000, 0.0002154200000000 ] - [ 0.0001578000000000, 0.0002165900000000, -0.0001666500000000 ] - [ -0.0000457500000000, 0.0000877200000000, -0.0001135400000000 ] - [ -0.0001785600000000, 0.0001124500000000, -0.0002939800000000 ] - [ 0.0000562300000000, 0.0000527500000000, -0.0001800200000000 ] - [ -0.0002544100000000, 0.0001414900000000, -0.0001876500000000 ] - [ -0.0000154200000000, -0.0001186700000000, 0.0002598000000000 ] - [ -0.0000573300000000, 0.0000950000000000, -0.0002664400000000 ] - [ -0.0000968900000000, 0.0002157600000000, 0.0000710400000000 ] - [ -0.0001297200000000, -0.0001484100000000, 0.0004085000000000 ] - [ -0.0001352300000000, -0.0000735700000000, -0.0001170100000000 ] - [ -0.0000562300000000, 0.0000527500000000, 0.0001800200000000 ] - [ 0.0003448300000000, 0.0004079800000000, 0.0001157400000000 ] - [ 0.0001352300000000, -0.0000735700000000, 0.0001170100000000 ] - [ 0.0000968900000000, 0.0002157600000000, -0.0000710400000000 ] - [ 0.0000309000000000, 0.0001870300000000, -0.0002064900000000 ] - [ 0.0000573300000000, 0.0000950000000000, 0.0002664400000000 ] - [ -0.0006796400000000, 0.0003822400000000, 0.0001801100000000 ] - [ 0.0002074100000000, 0.0002503500000000, -0.0002968700000000 ] - [ 0.0000008300000000, -0.0001624400000000, -0.0000873100000000 ] - [ -0.0001010400000000, 0.0000182300000000, -0.0002278800000000 ] - [ -0.0001578000000000, 0.0002165900000000, 0.0001666500000000 ] - [ 0.0001785600000000, 0.0001124500000000, 0.0002939800000000 ] - [ -0.0000057300000000, 0.0001497500000000, 0.0003539900000000 ] - [ 0.0001203200000000, 0.0001560300000000, -0.0002154200000000 ] - [ 0.0001737100000000, 0.0004597000000000, -0.0001582300000000 ] - [ 0.0013314100000000, -0.0005948100000000, 0.0000914800000000 ] - [ -0.0000478900000000, 0.0001880100000000, 0.0002909600000000 ] - [ 0.0000478900000000, 0.0001880100000000, -0.0002909600000000 ] - [ 0.0000057300000000, 0.0001497500000000, -0.0003539900000000 ] - [ -0.0001216700000000, -0.0001313900000000, 0.0000355700000000 ] - [ -0.0001965300000000, 0.0000093300000000, -0.0000232000000000 ] - [ -0.0000708900000000, -0.0002394100000000, 0.0007534300000000 ] - [ -0.0002414600000000, -0.0003658100000000, -0.0005330400000000 ] - [ -0.0001737100000000, 0.0004597000000000, 0.0001582300000000 ] - [ 0.0017333400000000, -0.0015419700000000, 0.0022844700000000 ] - [ 0.0003771600000000, 0.0000457900000000, -0.0005442000000000 ] - [ 0.0024969100000000, -0.0014820800000000, -0.0019860900000000 ] - [ -0.0003771600000000, 0.0000457900000000, 0.0005442000000000 ] - [ -0.0017333400000000, -0.0015419700000000, -0.0022844700000000 ] - [ -0.0001946200000000, -0.0003960900000000, 0.0000154300000000 ] - [ -0.0002717500000000, 0.0002251000000000, -0.0000973700000000 ] - [ 0.0007918300000000, 0.0002455000000000, 0.0000530200000000 ] - [ -0.0003264400000000, 0.0000486400000000, -0.0000767100000000 ] - [ 0.0003189500000000, -0.0005715900000000, 0.0000596100000000 ] - [ 0.0002717500000000, 0.0002251000000000, 0.0000973700000000 ] - [ -0.0003189500000000, -0.0005715900000000, -0.0000596100000000 ] - [ 0.0003264400000000, 0.0000486400000000, 0.0000767100000000 ] - [ -0.0007918300000000, 0.0002455000000000, -0.0000530200000000 ] - [ -0.0024969100000000, -0.0014820800000000, 0.0019860900000000 ] - [ 0.0001946200000000, -0.0003960900000000, -0.0000154300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0006870800000000, -0.0002032300000000, -0.0395208700000000 ] - [ 0.0003550400000000, -0.0000539100000000, -0.0000131300000000 ] - [ 0.0000137500000000, 0.0003685600000000, -0.0001016100000000 ] - [ -0.0002608300000000, 0.0001359100000000, -0.0000134800000000 ] - [ -0.0000019100000000, -0.0003674800000000, 0.0000254700000000 ] - [ 0.0004748500000000, -0.0001347400000000, -0.0000135900000000 ] - [ 0.0000182100000000, 0.0003684200000000, 0.0000938700000000 ] - [ -0.0003810500000000, 0.0000555400000000, -0.0000140200000000 ] - [ -0.0001859800000000, -0.0003808200000000, -0.0009824900000000 ] - [ 0.0000043700000000, 0.0002442500000000, -0.0002639800000000 ] - [ -0.0001543200000000, 0.0004221700000000, 0.0003968200000000 ] - [ -0.0000290000000000, 0.0001028400000000, 0.0001501400000000 ] - [ -0.0006373100000000, -0.0004198200000000, 0.0003987200000000 ] - [ 0.0000412600000000, -0.0000012000000000, -0.0001071700000000 ] - [ 0.0001812900000000, 0.0013078700000000, 0.0013159000000000 ] - [ -0.0000808000000000, -0.0002408300000000, 0.0008588700000000 ] - [ -0.0001765400000000, 0.0003819100000000, -0.0012139100000000 ] - [ -0.0000248100000000, -0.0012986100000000, 0.0012887400000000 ] - [ 0.0000404600000000, 0.0000014100000000, 0.0001285100000000 ] - [ -0.0000070600000000, -0.0001007100000000, -0.0002142100000000 ] - [ 0.0000081600000000, -0.0000186700000000, 0.0002409900000000 ] - [ 0.0000273400000000, 0.0002431100000000, 0.0002003100000000 ] - [ 0.0000476100000000, 0.0001771400000000, 0.0001355800000000 ] - [ 0.0000958700000000, 0.0001005400000000, -0.0005944500000000 ] - [ -0.0004387500000000, -0.0001771000000000, 0.0001352500000000 ] - [ 0.0011430000000000, 0.0004271000000000, 0.0003866300000000 ] - [ 0.0001438900000000, 0.0000511300000000, -0.0000094300000000 ] - [ -0.0000019300000000, -0.0002427600000000, -0.0000944400000000 ] - [ 0.0000072500000000, 0.0000187500000000, 0.0000051500000000 ] - [ -0.0000598500000000, -0.0000506600000000, -0.0000095800000000 ] - [ 0.0011400000000000, -0.0004214200000000, 0.0006205500000000 ] - [ -0.0000766600000000, -0.0001016100000000, 0.0004441600000000 ] - [ -0.0000858600000000, 0.0000717600000000, -0.0000693400000000 ] - [ -0.0003348900000000, -0.0002223100000000, 0.0002708700000000 ] - [ -0.0003337000000000, 0.0002234500000000, 0.0002712300000000 ] - [ -0.0000833700000000, -0.0000725400000000, -0.0000680200000000 ] - [ -0.0002232200000000, -0.0000297500000000, 0.0002196400000000 ] - [ -0.0086376300000000, -0.0030621400000000, 0.0046738100000000 ] - [ -0.0000380900000000, -0.0000435000000000, -0.0000489900000000 ] - [ 0.0113501700000000, 0.0056767800000000, 0.0137771800000000 ] - [ 0.0001119300000000, 0.0000686100000000, -0.0001795700000000 ] - [ 0.0005864600000000, -0.0001643000000000, -0.0008492400000000 ] - [ -0.0000586900000000, 0.0000198600000000, 0.0002533000000000 ] - [ 0.0001012400000000, 0.0000253000000000, 0.0001728900000000 ] - [ -0.0088435600000000, 0.0031220400000000, 0.0051455200000000 ] - [ 0.0001003000000000, 0.0000889900000000, -0.0002823000000000 ] - [ -0.0000452800000000, 0.0001201700000000, 0.0001688400000000 ] - [ 0.0007296300000000, 0.0003136300000000, -0.0008505100000000 ] - [ -0.0000738300000000, 0.0000983300000000, -0.0002872300000000 ] - [ 0.0002351800000000, -0.0001834900000000, 0.0001571000000000 ] - [ 0.0000076300000000, -0.0000308300000000, 0.0001034500000000 ] - [ 0.0006235600000000, 0.0006877900000000, -0.0000739300000000 ] - [ 0.0000474900000000, -0.0002810100000000, -0.0000325900000000 ] - [ 0.0000572600000000, 0.0000179400000000, -0.0005565900000000 ] - [ -0.0002645100000000, 0.0002843900000000, -0.0003249500000000 ] - [ -0.0001140900000000, -0.0000924400000000, 0.0005595500000000 ] - [ 0.0001491000000000, 0.0000032300000000, 0.0000986200000000 ] - [ -0.0000585600000000, 0.0002116400000000, 0.0001771600000000 ] - [ 0.0000038400000000, -0.0000164000000000, 0.0002387100000000 ] - [ -0.0000156100000000, -0.0001777800000000, -0.0002105100000000 ] - [ -0.0001062500000000, 0.0001150700000000, 0.0002995200000000 ] - [ -0.0000434700000000, 0.0002687000000000, -0.0001036400000000 ] - [ -0.0002344100000000, -0.0000646000000000, -0.0003039300000000 ] - [ 0.0000253000000000, 0.0000368500000000, 0.0003977100000000 ] - [ -0.0001914800000000, 0.0000724900000000, 0.0003111900000000 ] - [ -0.0002386000000000, 0.0000027500000000, 0.0000505600000000 ] - [ -0.0000141300000000, -0.0000145800000000, -0.0000993500000000 ] - [ -0.0000352700000000, -0.0000002800000000, -0.0002081500000000 ] - [ -0.0001362300000000, 0.0001570000000000, -0.0004287600000000 ] - [ 0.0000087400000000, -0.0000213000000000, -0.0003586200000000 ] - [ -0.0000968800000000, 0.0001364800000000, -0.0000285900000000 ] - [ 0.0000459200000000, -0.0002045100000000, 0.0001927000000000 ] - [ -0.0000443700000000, -0.0000176700000000, -0.0002853000000000 ] - [ -0.0000669200000000, 0.0000885600000000, 0.0000176100000000 ] - [ -0.0001108700000000, -0.0000803000000000, 0.0001620400000000 ] - [ 0.0001401000000000, 0.0001924000000000, -0.0003474800000000 ] - [ 0.0000260600000000, -0.0000157000000000, 0.0000892000000000 ] - [ -0.0000394300000000, -0.0002059700000000, 0.0003064200000000 ] - [ -0.0000051300000000, -0.0000475500000000, -0.0003514800000000 ] - [ 0.0000768400000000, 0.0000598900000000, 0.0000201100000000 ] - [ -0.0000209400000000, -0.0000006800000000, -0.0001944500000000 ] - [ 0.0000792600000000, -0.0000965600000000, 0.0000500800000000 ] - [ 0.0005017000000000, -0.0005751000000000, 0.0002653800000000 ] - [ 0.0001311400000000, 0.0001467500000000, -0.0002341100000000 ] - [ 0.0001047400000000, -0.0001019400000000, -0.0000525700000000 ] - [ 0.0000424900000000, 0.0000028100000000, -0.0000502400000000 ] - [ -0.0001297300000000, 0.0001393800000000, 0.0002375000000000 ] - [ -0.0000211200000000, -0.0002800100000000, -0.0000932000000000 ] - [ -0.0000126600000000, 0.0002462800000000, 0.0006341500000000 ] - [ 0.0001443800000000, 0.0000609700000000, -0.0003523400000000 ] - [ 0.0002396400000000, 0.0006587100000000, -0.0005974800000000 ] - [ 0.0118359300000000, -0.0063931800000000, 0.0140000700000000 ] - [ -0.0001131400000000, 0.0000391900000000, 0.0000857100000000 ] - [ -0.0000502500000000, 0.0003459300000000, -0.0003173100000000 ] - [ -0.0003952500000000, -0.0003065800000000, 0.0002313500000000 ] - [ 0.0000391100000000, 0.0000214800000000, -0.0001083100000000 ] - [ -0.0000473500000000, -0.0002308500000000, -0.0002785900000000 ] - [ -0.0004393700000000, -0.0001530700000000, 0.0005880100000000 ] - [ -0.0001482100000000, -0.0001587300000000, -0.0006596200000000 ] - [ 0.0001996600000000, -0.0006737600000000, -0.0010407300000000 ] - [ -0.0012781300000000, 0.0012264800000000, -0.0024956300000000 ] - [ 0.0001959300000000, -0.0004733300000000, -0.0000152900000000 ] - [ -0.0024142400000000, 0.0031702000000000, 0.0031563700000000 ] - [ -0.0002143200000000, -0.0002693500000000, 0.0002531100000000 ] - [ -0.0005173700000000, -0.0008148400000000, -0.0022282600000000 ] - [ -0.0002341000000000, -0.0003398400000000, -0.0002907500000000 ] - [ -0.0002334100000000, 0.0003518100000000, -0.0001632900000000 ] - [ 0.0006599500000000, 0.0000412200000000, 0.0003462400000000 ] - [ -0.0004883000000000, 0.0002073100000000, 0.0001688800000000 ] - [ 0.0002865200000000, -0.0004563000000000, -0.0000360100000000 ] - [ 0.0001749300000000, 0.0003939200000000, 0.0001033200000000 ] - [ -0.0001228700000000, -0.0002881300000000, 0.0002335700000000 ] - [ 0.0002563600000000, 0.0002023400000000, 0.0004377400000000 ] - [ -0.0000845200000000, -0.0004506900000000, 0.0006161900000000 ] - [ -0.0028284100000000, -0.0024321200000000, 0.0029131600000000 ] - [ 0.0005110400000000, -0.0000679700000000, -0.0005578300000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0013238200000000, 0.0001255200000000, -0.0001830500000000 ] - [ 0.0008080100000000, -0.0004010200000000, 0.0004287900000000 ] - [ 0.0013067800000000, 0.0008476300000000, 0.0001792000000000 ] - [ 0.0000671400000000, -0.0003994400000000, -0.0004198800000000 ] - [ -0.0000118900000000, -0.0004232500000000, 0.0000078500000000 ] - [ 0.0005331900000000, -0.0001695400000000, -0.0000010800000000 ] - [ -0.0000117800000000, 0.0003129800000000, -0.0000077300000000 ] - [ -0.0002013000000000, -0.0001689200000000, 0.0000018300000000 ] - [ -0.0304918100000000, 0.0103187600000000, -0.0000313600000000 ] - [ 0.0000258200000000, 0.0003532300000000, -0.0000236600000000 ] - [ -0.0016347200000000, -0.0005406400000000, -0.0002186000000000 ] - [ 0.0000879300000000, -0.0001402300000000, 0.0000034000000000 ] - [ 0.0003498200000000, 0.0000000200000000, 0.0000109900000000 ] - [ 0.0003513000000000, 0.0000001700000000, -0.0001136400000000 ] - [ 0.0004075200000000, 0.0005981700000000, 0.0004963800000000 ] - [ 0.0000327700000000, -0.0001491200000000, 0.0001170000000000 ] - [ 0.0014040700000000, -0.0001412700000000, -0.0001149000000000 ] - [ -0.0000350000000000, 0.0010364600000000, -0.0004969300000000 ] - [ -0.0004667800000000, -0.0001671000000000, 0.0001148000000000 ] - [ 0.0015760900000000, -0.0022731900000000, 0.0005490300000000 ] - [ 0.0002287400000000, -0.0000348400000000, 0.0001144200000000 ] - [ 0.0000329400000000, 0.0003419200000000, -0.0001159200000000 ] - [ 0.0008405900000000, -0.0000018300000000, -0.0000136800000000 ] - [ 0.0015811500000000, -0.0020963000000000, -0.0005525100000000 ] - [ -0.0021286400000000, -0.0005394300000000, 0.0002137700000000 ] - [ -0.0030870000000000, -0.0000002000000000, -0.0000983300000000 ] - [ 0.0001621700000000, 0.0010318400000000, 0.0004944600000000 ] - [ 0.0000279700000000, -0.0001374500000000, 0.0000230000000000 ] - [ -0.0003454300000000, -0.0001473300000000, -0.0001139800000000 ] - [ 0.0002156400000000, 0.0005931600000000, -0.0004975400000000 ] - [ 0.0013461600000000, -0.0001669500000000, 0.0001158100000000 ] - [ 0.0000867200000000, -0.0003380600000000, -0.0000022200000000 ] - [ -0.0004837300000000, -0.0001452500000000, 0.0000001700000000 ] - [ -0.0013584500000000, -0.0001382100000000, -0.0000002000000000 ] - [ 0.0009516200000000, -0.0003542800000000, -0.0000000200000000 ] - [ 0.0002637300000000, 0.0000186600000000, -0.0000006300000000 ] - [ 0.0007839800000000, -0.0001108500000000, 0.0003002300000000 ] - [ -0.0008885600000000, -0.0002499900000000, -0.0004091200000000 ] - [ 0.0002974200000000, -0.0006721300000000, 0.0009537500000000 ] - [ 0.0002775800000000, 0.0005720200000000, 0.0009685200000000 ] - [ 0.0068437600000000, -0.0061166600000000, -0.0052985300000000 ] - [ -0.0011123200000000, 0.0001062900000000, 0.0006986100000000 ] - [ -0.0000801200000000, 0.0002407200000000, 0.0004427500000000 ] - [ 0.0011462800000000, 0.0002908200000000, -0.0003361200000000 ] - [ 0.0047356000000000, 0.0028800600000000, 0.0026811700000000 ] - [ 0.0007061600000000, 0.0000627800000000, -0.0001036700000000 ] - [ -0.0006423100000000, 0.0000624000000000, 0.0000693800000000 ] - [ 0.0004464900000000, -0.0005238700000000, -0.0009518000000000 ] - [ -0.0000894600000000, 0.0005583600000000, -0.0009997700000000 ] - [ -0.0008670800000000, 0.0004329300000000, -0.0000092600000000 ] - [ 0.0000473500000000, 0.0000844800000000, 0.0003172200000000 ] - [ 0.0071066700000000, -0.0061820600000000, 0.0051399900000000 ] - [ 0.0001131200000000, -0.0001214100000000, -0.0000900800000000 ] - [ 0.0003902800000000, -0.0001478800000000, -0.0002005100000000 ] - [ 0.0005049500000000, -0.0001970000000000, 0.0003414900000000 ] - [ -0.0002683100000000, -0.0001848600000000, 0.0001371300000000 ] - [ 0.0004614600000000, 0.0000865200000000, 0.0000107900000000 ] - [ 0.0031345400000000, -0.0014044500000000, 0.0022026600000000 ] - [ -0.0000504100000000, 0.0002283600000000, 0.0000036300000000 ] - [ 0.0000652900000000, -0.0002769100000000, -0.0003675700000000 ] - [ 0.0001416200000000, 0.0009367500000000, -0.0006218400000000 ] - [ -0.0009243500000000, -0.0002320500000000, 0.0003001800000000 ] - [ -0.0004615000000000, 0.0000196600000000, -0.0001161200000000 ] - [ 0.0046670800000000, 0.0028065500000000, -0.0021924700000000 ] - [ 0.0009959400000000, 0.0001433200000000, 0.0003428900000000 ] - [ 0.0000766800000000, 0.0001520700000000, 0.0003894500000000 ] - [ 0.0008942100000000, 0.0000116400000000, -0.0006407700000000 ] - [ -0.0001202400000000, 0.0001399800000000, -0.0001911100000000 ] - [ -0.0004585500000000, -0.0001809200000000, -0.0000649300000000 ] - [ 0.0003740800000000, -0.0001820800000000, -0.0002491300000000 ] - [ -0.0002796600000000, -0.0000527100000000, -0.0000566300000000 ] - [ -0.0000411000000000, -0.0002355900000000, 0.0002907400000000 ] - [ -0.0002110800000000, -0.0000589000000000, -0.0001239800000000 ] - [ -0.0000364100000000, 0.0000280400000000, 0.0000882000000000 ] - [ -0.0008098200000000, 0.0001235200000000, 0.0010481200000000 ] - [ -0.0004739700000000, 0.0001515300000000, 0.0001690700000000 ] - [ -0.0002415800000000, -0.0000890500000000, 0.0001415000000000 ] - [ -0.0004923900000000, -0.0000873600000000, -0.0000728700000000 ] - [ 0.0005553000000000, 0.0002078700000000, 0.0000985200000000 ] - [ -0.0001357800000000, 0.0001005600000000, 0.0000606400000000 ] - [ -0.0000839100000000, 0.0001573100000000, -0.0002580000000000 ] - [ 0.0001708000000000, -0.0000258700000000, 0.0000218700000000 ] - [ -0.0009909000000000, 0.0005471100000000, 0.0003511200000000 ] - [ -0.0000894400000000, 0.0000526700000000, -0.0002152100000000 ] - [ -0.0009685600000000, -0.0000439900000000, -0.0007031500000000 ] - [ -0.0008688200000000, -0.0002112300000000, -0.0000396500000000 ] - [ -0.0003815100000000, -0.0000598700000000, 0.0002003600000000 ] - [ 0.0006148700000000, -0.0003189200000000, -0.0000017900000000 ] - [ -0.0005428400000000, 0.0000402700000000, 0.0003298900000000 ] - [ -0.0000765900000000, 0.0000841800000000, -0.0002855000000000 ] - [ -0.0007715900000000, 0.0001080900000000, -0.0005988500000000 ] - [ -0.0009906200000000, -0.0006180300000000, -0.0007102900000000 ] - [ -0.0001044700000000, 0.0001497000000000, 0.0001110900000000 ] - [ 0.0001298900000000, 0.0001072900000000, -0.0000348300000000 ] - [ 0.0027622900000000, -0.0015043400000000, -0.0026387700000000 ] - [ -0.0002580200000000, -0.0000542900000000, 0.0003070200000000 ] - [ -0.0006246100000000, 0.0000047900000000, -0.0001657000000000 ] - [ -0.0009290000000000, 0.0001018500000000, 0.0000712800000000 ] - [ -0.0003463000000000, -0.0000594000000000, -0.0002743300000000 ] - [ -0.0001215300000000, 0.0005471300000000, 0.0005515300000000 ] - [ -0.0045775400000000, 0.0006836300000000, -0.0034366400000000 ] - [ 0.0034947100000000, 0.0014987100000000, -0.0037044000000000 ] - [ 0.0024928700000000, -0.0017433100000000, -0.0017352300000000 ] - [ 0.0020762700000000, -0.0024870900000000, 0.0019908500000000 ] - [ 0.0012935700000000, 0.0004536100000000, 0.0006912600000000 ] - [ 0.0005470800000000, 0.0000416900000000, -0.0004206100000000 ] - [ -0.0000429700000000, 0.0002855400000000, 0.0000778100000000 ] - [ 0.0009706700000000, -0.0000804800000000, -0.0001268200000000 ] - [ 0.0002236100000000, 0.0003219200000000, -0.0001385200000000 ] - [ 0.0003568600000000, -0.0004602900000000, -0.0003397600000000 ] - [ 0.0003261400000000, 0.0002815400000000, -0.0000078700000000 ] - [ -0.0000804900000000, -0.0004663500000000, 0.0002726500000000 ] - [ -0.0004831200000000, 0.0004534300000000, 0.0001107900000000 ] - [ -0.0012308200000000, 0.0000539300000000, 0.0001572100000000 ] - [ 0.0030912200000000, 0.0022338300000000, 0.0034570200000000 ] - [ -0.0038232000000000, 0.0003000900000000, 0.0031687600000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012922000000000, -0.0013232100000000, -0.0003841900000000 ] - [ -0.0007171300000000, 0.0003921100000000, -0.0011378400000000 ] - [ 0.0012894400000000, -0.0005812000000000, 0.0003786900000000 ] - [ -0.0014549700000000, 0.0003962700000000, 0.0011450400000000 ] - [ 0.0000576100000000, -0.0003187700000000, -0.0000188200000000 ] - [ 0.0003019400000000, 0.0001279000000000, -0.0000405900000000 ] - [ 0.0000576900000000, 0.0004162900000000, 0.0000188000000000 ] - [ -0.0004327200000000, 0.0001270600000000, 0.0000408700000000 ] - [ 0.0103179700000000, -0.0501210400000000, 0.0001279200000000 ] - [ 0.0001368600000000, 0.0014269500000000, 0.0002033200000000 ] - [ 0.0001790200000000, 0.0016184800000000, 0.0023136400000000 ] - [ -0.0000827400000000, 0.0002255400000000, 0.0000195700000000 ] - [ -0.0002423500000000, 0.0000827200000000, -0.0000667000000000 ] - [ 0.0000000700000000, 0.0003512900000000, -0.0001127400000000 ] - [ 0.0009546700000000, 0.0000830800000000, 0.0010366900000000 ] - [ 0.0000285700000000, -0.0007022400000000, -0.0001967700000000 ] - [ 0.0001409900000000, -0.0005375000000000, -0.0001138300000000 ] - [ 0.0005413900000000, 0.0000637500000000, -0.0006301000000000 ] - [ -0.0004022200000000, 0.0013464500000000, 0.0001110300000000 ] - [ -0.0023220800000000, 0.0011681600000000, -0.0001783400000000 ] - [ -0.0000346100000000, 0.0002536000000000, 0.0001128000000000 ] - [ 0.0000266000000000, -0.0002085700000000, 0.0001985000000000 ] - [ 0.0002514900000000, 0.0000845400000000, 0.0000661400000000 ] - [ -0.0023100100000000, 0.0013610000000000, 0.0001831400000000 ] - [ -0.0003086900000000, 0.0016124700000000, -0.0023029300000000 ] - [ -0.0000000600000000, -0.0030872600000000, -0.0000992400000000 ] - [ 0.0007342100000000, 0.0000717400000000, 0.0006282200000000 ] - [ 0.0001334200000000, 0.0009323700000000, -0.0002013900000000 ] - [ 0.0001472200000000, 0.0004627200000000, -0.0001129600000000 ] - [ 0.0007572100000000, 0.0000801600000000, -0.0010331800000000 ] - [ -0.0004027600000000, -0.0004671100000000, 0.0001142000000000 ] - [ -0.0000822900000000, 0.0000319400000000, -0.0000197100000000 ] - [ 0.0005714700000000, 0.0018065500000000, 0.0000020300000000 ] - [ 0.0002651200000000, -0.0006352500000000, -0.0000010900000000 ] - [ 0.0001521500000000, -0.0004386400000000, 0.0000009200000000 ] - [ -0.0000958000000000, 0.0003689800000000, 0.0000003400000000 ] - [ -0.0008737400000000, -0.0019251900000000, 0.0007128700000000 ] - [ -0.0002651400000000, 0.0000857400000000, -0.0001881600000000 ] - [ -0.0004839000000000, 0.0012617600000000, -0.0000320400000000 ] - [ 0.0005051600000000, 0.0024076800000000, -0.0001215300000000 ] - [ -0.0042785000000000, 0.0074069700000000, 0.0036296400000000 ] - [ -0.0004364300000000, 0.0004612400000000, 0.0003537300000000 ] - [ 0.0002033100000000, -0.0010134900000000, -0.0002008700000000 ] - [ 0.0005694300000000, -0.0019263300000000, 0.0006061500000000 ] - [ 0.0022152600000000, 0.0043999900000000, 0.0021908400000000 ] - [ 0.0000011300000000, 0.0001103800000000, 0.0002056500000000 ] - [ 0.0000201300000000, -0.0002577500000000, -0.0001071500000000 ] - [ -0.0003334600000000, 0.0014134500000000, 0.0000326200000000 ] - [ 0.0005181100000000, 0.0011085900000000, -0.0000993500000000 ] - [ 0.0000705600000000, 0.0006572800000000, 0.0004046300000000 ] - [ 0.0001737300000000, -0.0005598900000000, 0.0001381700000000 ] - [ -0.0040229300000000, 0.0074385100000000, -0.0038549000000000 ] - [ -0.0002050400000000, -0.0010768400000000, -0.0000357300000000 ] - [ -0.0002283800000000, -0.0000131800000000, -0.0003775300000000 ] - [ -0.0001782200000000, 0.0002906600000000, 0.0002881400000000 ] - [ -0.0000641000000000, -0.0003205300000000, 0.0000982800000000 ] - [ 0.0002835900000000, -0.0001015300000000, 0.0003852900000000 ] - [ -0.0026098100000000, 0.0063469600000000, -0.0052126500000000 ] - [ 0.0002384200000000, -0.0010221900000000, 0.0006487400000000 ] - [ -0.0000922700000000, -0.0005555200000000, -0.0001909100000000 ] - [ 0.0004067400000000, 0.0027949500000000, 0.0004896800000000 ] - [ 0.0003773600000000, 0.0016594300000000, 0.0001442500000000 ] - [ -0.0001265400000000, -0.0000979900000000, -0.0002220400000000 ] - [ 0.0020556600000000, 0.0042075800000000, -0.0016427800000000 ] - [ 0.0004232900000000, -0.0020804800000000, -0.0006088900000000 ] - [ -0.0001027100000000, -0.0000400000000000, 0.0000141300000000 ] - [ -0.0007554000000000, -0.0017946500000000, -0.0010473600000000 ] - [ 0.0000777700000000, -0.0005398400000000, -0.0004552700000000 ] - [ -0.0000154600000000, 0.0001523400000000, -0.0001173700000000 ] - [ -0.0002430200000000, -0.0000499900000000, -0.0000697400000000 ] - [ 0.0000433700000000, -0.0005761700000000, 0.0000182600000000 ] - [ -0.0000201200000000, -0.0004993300000000, 0.0002185100000000 ] - [ 0.0000166300000000, -0.0002436200000000, -0.0002517400000000 ] - [ -0.0003532400000000, -0.0009286000000000, 0.0000313100000000 ] - [ 0.0008539700000000, 0.0004260800000000, -0.0006084200000000 ] - [ 0.0001153600000000, 0.0001111700000000, -0.0000725500000000 ] - [ 0.0000304400000000, -0.0000872900000000, 0.0002015200000000 ] - [ 0.0001715700000000, -0.0004062800000000, 0.0001059200000000 ] - [ -0.0001497900000000, 0.0002597300000000, -0.0002091500000000 ] - [ 0.0001928200000000, -0.0004245300000000, -0.0000148100000000 ] - [ 0.0001128100000000, -0.0005266500000000, 0.0000061600000000 ] - [ 0.0002951900000000, -0.0006705600000000, 0.0002034600000000 ] - [ -0.0000513200000000, 0.0007658800000000, -0.0000620400000000 ] - [ 0.0001398000000000, -0.0001309300000000, -0.0000886300000000 ] - [ -0.0002927600000000, 0.0003132500000000, -0.0003618900000000 ] - [ -0.0002499900000000, 0.0001201000000000, -0.0002567200000000 ] - [ -0.0001754700000000, -0.0001989500000000, 0.0002427400000000 ] - [ -0.0000653600000000, 0.0001663100000000, 0.0000521900000000 ] - [ 0.0005657700000000, 0.0000370000000000, 0.0003215500000000 ] - [ 0.0002592700000000, -0.0000364200000000, -0.0001769900000000 ] - [ 0.0008929100000000, 0.0004133700000000, 0.0010595100000000 ] - [ 0.0003101600000000, 0.0012766100000000, -0.0005474100000000 ] - [ -0.0000835600000000, -0.0001132400000000, 0.0001802200000000 ] - [ -0.0000308800000000, -0.0001688000000000, -0.0002070400000000 ] - [ -0.0028786500000000, 0.0060613200000000, 0.0045982200000000 ] - [ 0.0000156900000000, -0.0000504900000000, 0.0002450700000000 ] - [ -0.0000361400000000, -0.0000401700000000, 0.0000744600000000 ] - [ 0.0001796600000000, 0.0001003800000000, 0.0000773600000000 ] - [ 0.0000959300000000, 0.0002750300000000, -0.0002241200000000 ] - [ 0.0004800700000000, 0.0010899100000000, -0.0003476900000000 ] - [ -0.0000994700000000, 0.0093068000000000, -0.0011089300000000 ] - [ -0.0020323700000000, -0.0049385100000000, 0.0019760100000000 ] - [ 0.0006504900000000, -0.0016000400000000, -0.0005339600000000 ] - [ 0.0002540600000000, -0.0023732200000000, 0.0008043700000000 ] - [ 0.0005420500000000, 0.0003801700000000, 0.0002427700000000 ] - [ -0.0002080900000000, -0.0000221500000000, 0.0000200700000000 ] - [ -0.0004203000000000, 0.0010518300000000, -0.0005508500000000 ] - [ 0.0002459900000000, -0.0001237500000000, -0.0001504500000000 ] - [ -0.0005008100000000, 0.0002847600000000, -0.0001157900000000 ] - [ -0.0000124000000000, 0.0003052700000000, 0.0002840100000000 ] - [ 0.0003875700000000, 0.0011716000000000, -0.0000014000000000 ] - [ -0.0000175300000000, 0.0004246000000000, 0.0002680600000000 ] - [ 0.0005569200000000, 0.0001745500000000, 0.0002635300000000 ] - [ -0.0001886700000000, -0.0002336600000000, 0.0000042500000000 ] - [ -0.0024473300000000, -0.0042024300000000, -0.0022469700000000 ] - [ 0.0006323000000000, 0.0087806200000000, 0.0008280600000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000345700000000, -0.0010825400000000, -0.0010956600000000 ] - [ 0.0006120400000000, -0.0003818600000000, 0.0005070100000000 ] - [ 0.0000345700000000, 0.0010825400000000, -0.0010956600000000 ] - [ -0.0006120400000000, 0.0003818600000000, 0.0005070100000000 ] - [ -0.0000465800000000, -0.0003967400000000, 0.0001231300000000 ] - [ 0.0005139300000000, -0.0001804500000000, 0.0000109800000000 ] - [ 0.0000465800000000, 0.0003967400000000, 0.0001231300000000 ] - [ -0.0005139300000000, 0.0001804500000000, 0.0000109800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0364810100000000 ] - [ -0.0000799700000000, 0.0002759900000000, -0.0004445200000000 ] - [ 0.0006594000000000, 0.0021871900000000, 0.0012662000000000 ] - [ -0.0000147000000000, 0.0001340400000000, 0.0006173000000000 ] - [ -0.0001965800000000, -0.0002463300000000, 0.0001363700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001064300000000 ] - [ 0.0004039200000000, 0.0006013900000000, 0.0001058300000000 ] - [ 0.0000774700000000, -0.0002817900000000, 0.0011699900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009495300000000 ] - [ -0.0003973700000000, -0.0008526200000000, 0.0003483900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002152400000000 ] - [ 0.0000801300000000, 0.0002714300000000, -0.0019319900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003317400000000 ] - [ -0.0000774700000000, 0.0002817900000000, 0.0011699900000000 ] - [ 0.0001965800000000, 0.0002463300000000, 0.0001363700000000 ] - [ -0.0000801300000000, -0.0002714300000000, -0.0019319900000000 ] - [ -0.0006594000000000, -0.0021871900000000, 0.0012662000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0080891000000000 ] - [ 0.0003973700000000, 0.0008526200000000, 0.0003483900000000 ] - [ 0.0000799700000000, -0.0002759900000000, -0.0004445200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001807600000000 ] - [ -0.0004039200000000, -0.0006013900000000, 0.0001058300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002147200000000 ] - [ 0.0000147000000000, -0.0001340400000000, 0.0006173000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000111900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016063100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003997000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001149000000000 ] - [ 0.0004812600000000, 0.0002387500000000, 0.0006449400000000 ] - [ 0.0002139600000000, 0.0001703100000000, 0.0003839300000000 ] - [ 0.0007011200000000, 0.0003582600000000, -0.0011703000000000 ] - [ 0.0006244500000000, -0.0007675400000000, 0.0006110900000000 ] - [ -0.0050139300000000, 0.0054234500000000, 0.0051223700000000 ] - [ 0.0007244500000000, 0.0000047600000000, -0.0007909800000000 ] - [ 0.0002168500000000, -0.0001903700000000, 0.0000934000000000 ] - [ -0.0001861300000000, -0.0000827900000000, 0.0009436400000000 ] - [ 0.0018722800000000, 0.0018092600000000, 0.0039571200000000 ] - [ 0.0000920000000000, 0.0003884500000000, -0.0007664600000000 ] - [ -0.0002035000000000, 0.0000780100000000, 0.0002406100000000 ] - [ -0.0007011200000000, -0.0003582600000000, -0.0011703000000000 ] - [ -0.0004891200000000, 0.0003986200000000, -0.0010585600000000 ] - [ -0.0005795700000000, 0.0005335100000000, 0.0004057300000000 ] - [ 0.0000182100000000, -0.0000922300000000, -0.0000321000000000 ] - [ 0.0050139300000000, -0.0054234500000000, 0.0051223700000000 ] - [ 0.0000945800000000, -0.0003075800000000, 0.0000782400000000 ] - [ -0.0000277200000000, -0.0001563000000000, -0.0008161600000000 ] - [ 0.0000180200000000, 0.0004840700000000, -0.0007045100000000 ] - [ 0.0000046400000000, -0.0001687500000000, 0.0003950200000000 ] - [ 0.0002012700000000, -0.0000449300000000, -0.0001996000000000 ] - [ 0.0032259000000000, -0.0043313500000000, 0.0062455300000000 ] - [ -0.0002168500000000, 0.0001903700000000, 0.0000934000000000 ] - [ 0.0000612500000000, -0.0002405600000000, -0.0003552300000000 ] - [ -0.0006244500000000, 0.0007675400000000, 0.0006110900000000 ] - [ 0.0009477700000000, 0.0007058300000000, -0.0000997600000000 ] - [ -0.0001477400000000, -0.0000881700000000, -0.0004401100000000 ] - [ -0.0018722800000000, -0.0018092600000000, 0.0039571200000000 ] - [ 0.0001861300000000, 0.0000827900000000, 0.0009436400000000 ] - [ -0.0002012700000000, 0.0000449300000000, -0.0001996000000000 ] - [ -0.0004812600000000, -0.0002387500000000, 0.0006449400000000 ] - [ 0.0000444700000000, -0.0001341400000000, -0.0001770300000000 ] - [ 0.0000822200000000, 0.0000952600000000, -0.0005419500000000 ] - [ 0.0000277200000000, 0.0001563000000000, -0.0008161600000000 ] - [ 0.0001399700000000, -0.0001213400000000, 0.0000316200000000 ] - [ 0.0001099400000000, -0.0001686700000000, 0.0001411100000000 ] - [ -0.0000191400000000, -0.0000753000000000, -0.0003246900000000 ] - [ -0.0000945800000000, 0.0003075800000000, 0.0000782400000000 ] - [ 0.0006113200000000, -0.0000755900000000, -0.0005556000000000 ] - [ 0.0002121800000000, 0.0003801800000000, -0.0005412400000000 ] - [ -0.0000567400000000, -0.0000737800000000, -0.0000717100000000 ] - [ 0.0002035000000000, -0.0000780100000000, 0.0002406100000000 ] - [ -0.0000920000000000, -0.0003884500000000, -0.0007664600000000 ] - [ -0.0001399700000000, 0.0001213400000000, 0.0000316200000000 ] - [ -0.0000444700000000, 0.0001341400000000, -0.0001770300000000 ] - [ -0.0000182100000000, 0.0000922300000000, -0.0000321000000000 ] - [ 0.0005795700000000, -0.0005335100000000, 0.0004057300000000 ] - [ 0.0000191400000000, 0.0000753000000000, -0.0003246900000000 ] - [ -0.0007244500000000, -0.0000047600000000, -0.0007909800000000 ] - [ -0.0002139600000000, -0.0001703100000000, 0.0003839300000000 ] - [ -0.0000046400000000, 0.0001687500000000, 0.0003950200000000 ] - [ -0.0000180200000000, -0.0004840700000000, -0.0007045100000000 ] - [ 0.0001812200000000, 0.0002479800000000, 0.0006827400000000 ] - [ 0.0001477400000000, 0.0000881700000000, -0.0004401100000000 ] - [ -0.0006113200000000, 0.0000755900000000, -0.0005556000000000 ] - [ -0.0009477700000000, -0.0007058300000000, -0.0000997600000000 ] - [ -0.0001099400000000, 0.0001686700000000, 0.0001411100000000 ] - [ -0.0000612500000000, 0.0002405600000000, -0.0003552300000000 ] - [ -0.0032259000000000, 0.0043313500000000, 0.0062455300000000 ] - [ 0.0000567400000000, 0.0000737800000000, -0.0000717100000000 ] - [ -0.0002121800000000, -0.0003801800000000, -0.0005412400000000 ] - [ -0.0001812200000000, -0.0002479800000000, 0.0006827400000000 ] - [ -0.0000822200000000, -0.0000952600000000, -0.0005419500000000 ] - [ 0.0004891200000000, -0.0003986200000000, -0.0010585600000000 ] - [ -0.0034022300000000, -0.0014119900000000, -0.0046082000000000 ] - [ -0.0035003900000000, -0.0020256400000000, 0.0026870700000000 ] - [ -0.0015173100000000, 0.0022163100000000, 0.0018026400000000 ] - [ 0.0015173100000000, -0.0022163100000000, 0.0018026400000000 ] - [ 0.0003314000000000, 0.0002913800000000, -0.0006397400000000 ] - [ -0.0003314000000000, -0.0002913800000000, -0.0006397400000000 ] - [ -0.0000725100000000, 0.0002963800000000, 0.0001663300000000 ] - [ 0.0004734500000000, -0.0001560000000000, 0.0004768400000000 ] - [ -0.0004734500000000, 0.0001560000000000, 0.0004768400000000 ] - [ 0.0000725100000000, -0.0002963800000000, 0.0001663300000000 ] - [ 0.0001381200000000, 0.0004548700000000, 0.0001402000000000 ] - [ -0.0001381200000000, -0.0004548700000000, 0.0001402000000000 ] - [ -0.0000458100000000, 0.0001760100000000, 0.0011434700000000 ] - [ 0.0000458100000000, -0.0001760100000000, 0.0011434700000000 ] - [ 0.0035003900000000, 0.0020256400000000, 0.0026870700000000 ] - [ 0.0034022300000000, 0.0014119900000000, -0.0046082000000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000289000000000, 0.0003497900000000, 0.0010998800000000 ] - [ 0.0001272700000000, 0.0003811500000000, -0.0005009900000000 ] - [ -0.0000289000000000, -0.0003497900000000, 0.0010998800000000 ] - [ -0.0001272700000000, -0.0003811500000000, -0.0005009900000000 ] - [ 0.0000460200000000, -0.0003389700000000, -0.0001234200000000 ] - [ 0.0002208200000000, 0.0001804500000000, -0.0000109700000000 ] - [ -0.0000460200000000, 0.0003389700000000, -0.0001234200000000 ] - [ -0.0002208200000000, -0.0001804500000000, -0.0000109700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0368940300000000 ] - [ 0.0000788300000000, 0.0002163100000000, 0.0004449800000000 ] - [ -0.0001678200000000, -0.0021728000000000, -0.0012644700000000 ] - [ 0.0000140900000000, 0.0000618700000000, -0.0006172400000000 ] - [ -0.0002966400000000, 0.0002474700000000, -0.0001375800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001203200000000 ] - [ -0.0002113600000000, -0.0005967700000000, -0.0001117900000000 ] - [ -0.0000742100000000, -0.0002130400000000, -0.0011686900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007239900000000 ] - [ 0.0002043900000000, 0.0008559400000000, -0.0003482100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000121800000000 ] - [ -0.0000766200000000, -0.0004688700000000, 0.0019344200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001054000000000 ] - [ 0.0000742100000000, 0.0002130400000000, -0.0011686900000000 ] - [ 0.0002966400000000, -0.0002474700000000, -0.0001375800000000 ] - [ 0.0000766200000000, 0.0004688700000000, 0.0019344200000000 ] - [ 0.0001678200000000, 0.0021728000000000, -0.0012644700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0084105800000000 ] - [ -0.0002043900000000, -0.0008559400000000, -0.0003482100000000 ] - [ -0.0000788300000000, -0.0002163100000000, 0.0004449800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004076200000000 ] - [ 0.0002113600000000, 0.0005967700000000, -0.0001117900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000114300000000 ] - [ -0.0000140900000000, -0.0000618700000000, -0.0006172400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000117000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015950200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003997400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001145800000000 ] - [ -0.0005929400000000, -0.0003614800000000, -0.0009875400000000 ] - [ -0.0002352900000000, -0.0002096500000000, -0.0008326100000000 ] - [ -0.0008347800000000, -0.0005080900000000, 0.0011671200000000 ] - [ -0.0004984400000000, 0.0003969600000000, -0.0002653500000000 ] - [ 0.0047372000000000, -0.0054007300000000, -0.0053734300000000 ] - [ -0.0008702100000000, 0.0001447400000000, 0.0007852500000000 ] - [ -0.0002510300000000, 0.0002057500000000, 0.0003514600000000 ] - [ 0.0003395300000000, 0.0002327200000000, -0.0009422000000000 ] - [ -0.0018317000000000, -0.0017950800000000, -0.0035054100000000 ] - [ 0.0000580200000000, -0.0005322500000000, 0.0007611200000000 ] - [ 0.0000527300000000, 0.0000704300000000, -0.0002449100000000 ] - [ 0.0008347800000000, 0.0005080900000000, 0.0011671200000000 ] - [ 0.0005281700000000, -0.0003841300000000, 0.0006115100000000 ] - [ 0.0007048400000000, -0.0006472900000000, -0.0000660000000000 ] - [ -0.0001407200000000, 0.0002019300000000, 0.0003736200000000 ] - [ -0.0047372000000000, 0.0054007300000000, -0.0053734300000000 ] - [ 0.0000553400000000, 0.0001592700000000, -0.0000801200000000 ] - [ 0.0000456900000000, 0.0001911500000000, 0.0003689300000000 ] - [ -0.0001316800000000, -0.0003680100000000, 0.0010489900000000 ] - [ 0.0001075100000000, 0.0000457600000000, -0.0000553100000000 ] - [ 0.0001835600000000, -0.0000216700000000, 0.0006012900000000 ] - [ -0.0029155100000000, 0.0045436200000000, -0.0067481900000000 ] - [ 0.0002510300000000, -0.0002057500000000, 0.0003514600000000 ] - [ -0.0001254200000000, -0.0001434600000000, -0.0000479400000000 ] - [ 0.0004984400000000, -0.0003969600000000, -0.0002653500000000 ] - [ -0.0008830600000000, -0.0003196400000000, -0.0002996700000000 ] - [ -0.0002362900000000, 0.0000230600000000, 0.0000377900000000 ] - [ 0.0018317000000000, 0.0017950800000000, -0.0035054100000000 ] - [ -0.0003395300000000, -0.0002327200000000, -0.0009422000000000 ] - [ -0.0001835600000000, 0.0000216700000000, 0.0006012900000000 ] - [ 0.0005929400000000, 0.0003614800000000, -0.0009875400000000 ] - [ -0.0000817600000000, 0.0001163100000000, -0.0002700600000000 ] - [ -0.0001922500000000, -0.0002165900000000, 0.0002018600000000 ] - [ -0.0000456900000000, -0.0001911500000000, 0.0003689300000000 ] - [ -0.0002864900000000, -0.0000310700000000, -0.0000276300000000 ] - [ -0.0000459200000000, -0.0002157300000000, 0.0002619600000000 ] - [ -0.0001037200000000, -0.0000357300000000, -0.0000159100000000 ] - [ -0.0000553400000000, -0.0001592700000000, -0.0000801200000000 ] - [ -0.0006495000000000, 0.0000919800000000, 0.0010071500000000 ] - [ -0.0000617100000000, -0.0002334000000000, 0.0005454200000000 ] - [ 0.0000750000000000, 0.0000373400000000, 0.0005188000000000 ] - [ -0.0000527300000000, -0.0000704300000000, -0.0002449100000000 ] - [ -0.0000580200000000, 0.0005322500000000, 0.0007611200000000 ] - [ 0.0002864900000000, 0.0000310700000000, -0.0000276300000000 ] - [ 0.0000817600000000, -0.0001163100000000, -0.0002700600000000 ] - [ 0.0001407200000000, -0.0002019300000000, 0.0003736200000000 ] - [ -0.0007048400000000, 0.0006472900000000, -0.0000660000000000 ] - [ 0.0001037200000000, 0.0000357300000000, -0.0000159100000000 ] - [ 0.0008702100000000, -0.0001447400000000, 0.0007852500000000 ] - [ 0.0002352900000000, 0.0002096500000000, -0.0008326100000000 ] - [ -0.0001075100000000, -0.0000457600000000, -0.0000553100000000 ] - [ 0.0001316800000000, 0.0003680100000000, 0.0010489900000000 ] - [ 0.0002036500000000, -0.0003125500000000, -0.0002815300000000 ] - [ 0.0002362900000000, -0.0000230600000000, 0.0000377900000000 ] - [ 0.0006495000000000, -0.0000919800000000, 0.0010071500000000 ] - [ 0.0008830600000000, 0.0003196400000000, -0.0002996700000000 ] - [ 0.0000459200000000, 0.0002157300000000, 0.0002619600000000 ] - [ 0.0001254200000000, 0.0001434600000000, -0.0000479400000000 ] - [ 0.0029155100000000, -0.0045436200000000, -0.0067481900000000 ] - [ -0.0000750000000000, -0.0000373400000000, 0.0005188000000000 ] - [ 0.0000617100000000, 0.0002334000000000, 0.0005454200000000 ] - [ -0.0002036500000000, 0.0003125500000000, -0.0002815300000000 ] - [ 0.0001922500000000, 0.0002165900000000, 0.0002018600000000 ] - [ -0.0005281700000000, 0.0003841300000000, 0.0006115100000000 ] - [ 0.0026673600000000, 0.0018016900000000, 0.0043626100000000 ] - [ 0.0038919700000000, 0.0012980200000000, -0.0029583100000000 ] - [ 0.0019284300000000, -0.0014681800000000, -0.0015437300000000 ] - [ -0.0019284300000000, 0.0014681800000000, -0.0015437300000000 ] - [ 0.0004154500000000, 0.0001152700000000, 0.0009085700000000 ] - [ -0.0004154500000000, -0.0001152700000000, 0.0009085700000000 ] - [ -0.0003330400000000, 0.0004492500000000, -0.0004314900000000 ] - [ 0.0002728600000000, -0.0002494600000000, -0.0007440900000000 ] - [ -0.0002728600000000, 0.0002494600000000, -0.0007440900000000 ] - [ 0.0003330400000000, -0.0004492500000000, -0.0004314900000000 ] - [ 0.0002703000000000, 0.0002923200000000, 0.0001246500000000 ] - [ -0.0002703000000000, -0.0002923200000000, 0.0001246500000000 ] - [ 0.0007949000000000, 0.0002241200000000, -0.0008771800000000 ] - [ -0.0007949000000000, -0.0002241200000000, -0.0008771800000000 ] - [ -0.0038919700000000, -0.0012980200000000, -0.0029583100000000 ] - [ -0.0026673600000000, -0.0018016900000000, 0.0043626100000000 ]- atom: 10 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0005762100000000, -0.0003680900000000, 0.0000041800000000 ] - [ 0.0005377500000000, 0.0000113300000000, 0.0001769500000000 ] - [ 0.0004293700000000, 0.0003673800000000, 0.0000021000000000 ] - [ 0.0001062100000000, -0.0004581200000000, 0.0004219700000000 ] - [ 0.0001534500000000, -0.0003672400000000, 0.0000267800000000 ] - [ 0.0008351800000000, 0.0004499600000000, 0.0004195300000000 ] - [ -0.0002310400000000, 0.0003669900000000, 0.0000807800000000 ] - [ -0.0001974200000000, -0.0000121000000000, 0.0001776000000000 ] - [ 0.0000262700000000, 0.0001345600000000, 0.0000327700000000 ] - [ -0.0364072100000000, 0.0004053200000000, -0.0089405700000000 ] - [ 0.0006055500000000, 0.0004434900000000, -0.0005927200000000 ] - [ 0.0003484000000000, 0.0000975000000000, 0.0000135000000000 ] - [ 0.0001070500000000, -0.0004408100000000, -0.0005975200000000 ] - [ 0.0016183100000000, 0.0005419200000000, 0.0020777700000000 ] - [ -0.0018217100000000, -0.0002051300000000, 0.0006102700000000 ] - [ -0.0003544900000000, -0.0002475400000000, 0.0001606700000000 ] - [ 0.0000271900000000, -0.0001360300000000, -0.0001919300000000 ] - [ -0.0020150800000000, 0.0002091900000000, 0.0006104400000000 ] - [ 0.0016127300000000, -0.0005385900000000, 0.0022823700000000 ] - [ 0.0013501100000000, -0.0000990400000000, 0.0001201000000000 ] - [ 0.0000320000000000, 0.0000281400000000, 0.0000368000000000 ] - [ 0.0002351300000000, 0.0002469900000000, 0.0000424200000000 ] - [ 0.0003211000000000, 0.0004423700000000, -0.0010296400000000 ] - [ -0.0029669000000000, 0.0000831800000000, -0.0001080100000000 ] - [ -0.0001735600000000, -0.0004409500000000, -0.0010263800000000 ] - [ 0.0000843100000000, -0.0000000500000000, 0.0001338700000000 ] - [ 0.0007083100000000, -0.0000008400000000, 0.0000095900000000 ] - [ 0.0013424900000000, -0.0002466900000000, 0.0000627700000000 ] - [ 0.0000335000000000, -0.0000271200000000, -0.0001886500000000 ] - [ 0.0005129900000000, 0.0000024100000000, 0.0000114100000000 ] - [ 0.0000831100000000, -0.0000009500000000, 0.0003597900000000 ] - [ -0.0004642000000000, -0.0000975300000000, 0.0001957700000000 ] - [ 0.0037413400000000, 0.0000153900000000, -0.0023078100000000 ] - [ -0.0000023200000000, -0.0000178000000000, 0.0000645500000000 ] - [ -0.0000027900000000, 0.0000173700000000, 0.0000641400000000 ] - [ 0.0037789400000000, -0.0000111300000000, -0.0023462700000000 ] - [ 0.0076032100000000, 0.0054403900000000, 0.0063278200000000 ] - [ 0.0000880700000000, 0.0009271700000000, 0.0005571200000000 ] - [ -0.0003275200000000, -0.0000009200000000, 0.0000496800000000 ] - [ 0.0005733700000000, -0.0002541800000000, 0.0000949700000000 ] - [ -0.0004817400000000, -0.0001864500000000, -0.0000625000000000 ] - [ 0.0003090300000000, 0.0000776500000000, 0.0001356400000000 ] - [ 0.0029323400000000, -0.0024423600000000, 0.0015741400000000 ] - [ 0.0000927300000000, 0.0007864600000000, -0.0006436600000000 ] - [ 0.0001010500000000, -0.0009601000000000, 0.0010001100000000 ] - [ 0.0001397100000000, 0.0000947300000000, 0.0000519300000000 ] - [ 0.0000173200000000, -0.0005762400000000, -0.0006659500000000 ] - [ 0.0004582400000000, 0.0000715000000000, 0.0001370700000000 ] - [ -0.0002414800000000, -0.0000783200000000, -0.0002746200000000 ] - [ -0.0003575500000000, 0.0000736600000000, 0.0002795300000000 ] - [ -0.0004064400000000, 0.0000409100000000, 0.0002829100000000 ] - [ 0.0006440000000000, 0.0002608700000000, 0.0000558800000000 ] - [ 0.0050870200000000, 0.0021843000000000, -0.0024112700000000 ] - [ -0.0000198800000000, -0.0001164000000000, -0.0002018500000000 ] - [ 0.0000401600000000, -0.0000902500000000, 0.0001321600000000 ] - [ 0.0078673400000000, -0.0057588200000000, 0.0068597000000000 ] - [ 0.0000854500000000, -0.0000616300000000, 0.0000532500000000 ] - [ -0.0006605800000000, -0.0007905900000000, -0.0002758300000000 ] - [ -0.0007215400000000, 0.0001115200000000, 0.0001549700000000 ] - [ -0.0006060500000000, -0.0001313500000000, -0.0002606300000000 ] - [ -0.0005309500000000, 0.0000001800000000, 0.0001367400000000 ] - [ -0.0004692000000000, 0.0003881100000000, -0.0002617800000000 ] - [ -0.0003012400000000, 0.0000005700000000, -0.0003458000000000 ] - [ -0.0007852500000000, 0.0006746900000000, 0.0003932500000000 ] - [ -0.0010946800000000, -0.0005780900000000, 0.0004629900000000 ] - [ -0.0002776800000000, 0.0002715300000000, -0.0000491900000000 ] - [ -0.0008996200000000, 0.0002393900000000, -0.0006418200000000 ] - [ -0.0007561600000000, -0.0001258800000000, -0.0002936000000000 ] - [ -0.0002004800000000, -0.0001121400000000, -0.0001775800000000 ] - [ -0.0001727400000000, -0.0000580400000000, -0.0002684100000000 ] - [ 0.0049946200000000, -0.0023702900000000, -0.0025124600000000 ] - [ -0.0005434800000000, -0.0002567000000000, 0.0001353200000000 ] - [ 0.0008201600000000, -0.0005401700000000, -0.0001259000000000 ] - [ -0.0013369300000000, 0.0000205800000000, 0.0004773000000000 ] - [ -0.0002763400000000, 0.0000932700000000, 0.0001709700000000 ] - [ 0.0000156400000000, 0.0001677500000000, 0.0000294800000000 ] - [ -0.0001558800000000, 0.0000232000000000, 0.0001800800000000 ] - [ -0.0009465600000000, 0.0004349400000000, 0.0004638000000000 ] - [ -0.0001342400000000, -0.0000194900000000, 0.0000264400000000 ] - [ -0.0011932900000000, 0.0001269500000000, 0.0004841000000000 ] - [ 0.0029814800000000, 0.0024923000000000, 0.0011651300000000 ] - [ 0.0009429100000000, 0.0004278000000000, 0.0002140100000000 ] - [ 0.0005219800000000, -0.0001486200000000, 0.0003971000000000 ] - [ -0.0002809600000000, 0.0000727900000000, -0.0000561700000000 ] - [ -0.0001791700000000, -0.0001477200000000, 0.0000482100000000 ] - [ -0.0007684100000000, -0.0006389700000000, -0.0000529900000000 ] - [ -0.0010151400000000, -0.0001190500000000, -0.0003044700000000 ] - [ -0.0000877000000000, -0.0000119400000000, 0.0001629700000000 ] - [ 0.0000915500000000, -0.0007465300000000, -0.0002604600000000 ] - [ 0.0001157600000000, -0.0002073500000000, -0.0004434100000000 ] - [ 0.0002689400000000, -0.0001981400000000, 0.0000965300000000 ] - [ 0.0005113200000000, -0.0001333600000000, -0.0003048100000000 ] - [ 0.0009777500000000, 0.0005203600000000, -0.0000811900000000 ] - [ 0.0010399900000000, -0.0001361500000000, -0.0004791200000000 ] - [ -0.0003000700000000, 0.0006841600000000, -0.0006535500000000 ] - [ -0.0000317700000000, 0.0001493600000000, 0.0002429500000000 ] - [ -0.0000086000000000, -0.0002423900000000, 0.0000555700000000 ] - [ -0.0010459800000000, 0.0008526300000000, 0.0001212500000000 ] - [ 0.0001539300000000, 0.0002132300000000, -0.0002093700000000 ] - [ 0.0002335200000000, 0.0001848100000000, -0.0003480200000000 ] - [ 0.0029952000000000, 0.0039883800000000, -0.0022193800000000 ] - [ 0.0008076500000000, -0.0003603300000000, -0.0002362400000000 ] - [ -0.0006554300000000, 0.0003480300000000, -0.0001003800000000 ] - [ 0.0004070200000000, -0.0003932600000000, 0.0000236100000000 ] - [ 0.0037476900000000, -0.0036043000000000, -0.0019457300000000 ] - [ 0.0019299900000000, 0.0017639900000000, 0.0021397200000000 ] - [ 0.0007278500000000, -0.0001524300000000, -0.0003591900000000 ] - [ 0.0005082300000000, -0.0003411300000000, -0.0000315200000000 ] - [ -0.0002243500000000, 0.0004272300000000, -0.0000390000000000 ] - [ -0.0041985100000000, 0.0030434200000000, -0.0003852500000000 ] - [ 0.0011326300000000, 0.0008974200000000, -0.0000883100000000 ] - [ -0.0045914200000000, -0.0037898000000000, -0.0001446300000000 ] - [ 0.0005275200000000, -0.0000272100000000, 0.0002265700000000 ] - [ -0.0002385000000000, -0.0000610400000000, 0.0002310700000000 ] - [ -0.0010542200000000, 0.0004023200000000, -0.0003577700000000 ] - [ 0.0026675000000000, -0.0021581500000000, 0.0018723400000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0000187400000000, 0.0000000000000000 ] - [ 0.0005210200000000, 0.0000176500000000, 0.0001954100000000 ] - [ 0.0000000000000000, 0.0005931300000000, 0.0000000000000000 ] - [ -0.0006235900000000, 0.0005197100000000, -0.0003953000000000 ] - [ 0.0000000000000000, -0.0004357200000000, 0.0000000000000000 ] - [ 0.0006235900000000, 0.0005197100000000, 0.0003953000000000 ] - [ 0.0000000000000000, 0.0003915800000000, 0.0000000000000000 ] - [ -0.0005210200000000, 0.0000176500000000, -0.0001954100000000 ] - [ 0.0001057600000000, 0.0011787500000000, 0.0001426100000000 ] - [ 0.0000000000000000, -0.0368379900000000, 0.0000000000000000 ] - [ 0.0005413700000000, 0.0000771600000000, -0.0006286500000000 ] - [ 0.0000000000000000, 0.0001024600000000, 0.0000000000000000 ] - [ -0.0005413700000000, 0.0000771600000000, 0.0006286500000000 ] - [ 0.0000630500000000, -0.0018832100000000, -0.0005281900000000 ] - [ 0.0005096900000000, 0.0012229800000000, -0.0022495800000000 ] - [ 0.0000000000000000, 0.0000465800000000, 0.0000000000000000 ] - [ -0.0001057600000000, 0.0011787500000000, -0.0001426100000000 ] - [ -0.0005096900000000, 0.0012229800000000, 0.0022495800000000 ] - [ -0.0000630500000000, -0.0018832100000000, 0.0005281900000000 ] - [ 0.0000000000000000, 0.0000008600000000, 0.0000000000000000 ] - [ 0.0000960900000000, -0.0004557500000000, 0.0001482900000000 ] - [ 0.0000000000000000, 0.0004681800000000, 0.0000000000000000 ] - [ 0.0005411100000000, 0.0003559800000000, -0.0007974600000000 ] - [ 0.0000000000000000, 0.0079876300000000, 0.0000000000000000 ] - [ -0.0005411100000000, 0.0003559800000000, 0.0007974600000000 ] - [ -0.0000049900000000, 0.0005950000000000, -0.0000639200000000 ] - [ 0.0000583600000000, 0.0001401100000000, -0.0002370300000000 ] - [ 0.0000000000000000, -0.0010963700000000, 0.0000000000000000 ] - [ -0.0000960900000000, -0.0004557500000000, -0.0001482900000000 ] - [ -0.0000583600000000, 0.0001401100000000, 0.0002370300000000 ] - [ 0.0000049900000000, 0.0005950000000000, 0.0000639200000000 ] - [ 0.0000000000000000, 0.0000361700000000, 0.0000000000000000 ] - [ -0.0000821300000000, -0.0026759900000000, 0.0009860400000000 ] - [ 0.0000574500000000, 0.0002812700000000, -0.0000316200000000 ] - [ -0.0000574500000000, 0.0002812700000000, 0.0000316200000000 ] - [ 0.0000821300000000, -0.0026759900000000, -0.0009860400000000 ] - [ 0.0053646300000000, 0.0052930300000000, 0.0054564100000000 ] - [ 0.0008616400000000, -0.0010806100000000, -0.0007573200000000 ] - [ -0.0000188200000000, -0.0003672000000000, -0.0000409800000000 ] - [ 0.0001292300000000, -0.0008483500000000, -0.0000461900000000 ] - [ -0.0001865400000000, -0.0004158300000000, -0.0000079200000000 ] - [ -0.0000006200000000, -0.0004746200000000, -0.0001712400000000 ] - [ -0.0033039100000000, 0.0069087700000000, -0.0044306300000000 ] - [ 0.0005791600000000, 0.0013197300000000, 0.0004717600000000 ] - [ -0.0008616400000000, -0.0010806100000000, 0.0007573200000000 ] - [ 0.0000163200000000, -0.0002860600000000, -0.0000244900000000 ] - [ -0.0005791600000000, 0.0013197300000000, -0.0004717600000000 ] - [ 0.0000006200000000, -0.0004746200000000, 0.0001712400000000 ] - [ -0.0000203600000000, -0.0002349500000000, -0.0002805500000000 ] - [ 0.0001865400000000, -0.0004158300000000, 0.0000079200000000 ] - [ -0.0001405600000000, 0.0002849900000000, 0.0002894000000000 ] - [ 0.0001482800000000, -0.0008225600000000, -0.0005866100000000 ] - [ 0.0017486200000000, 0.0038346000000000, -0.0021061300000000 ] - [ 0.0000569900000000, 0.0001369100000000, 0.0000137700000000 ] - [ -0.0001291500000000, -0.0001357300000000, 0.0000201700000000 ] - [ -0.0053646300000000, 0.0052930300000000, -0.0054564100000000 ] - [ 0.0001402200000000, 0.0000167800000000, 0.0000827000000000 ] - [ -0.0004610000000000, -0.0007534000000000, -0.0003041500000000 ] - [ -0.0000049900000000, 0.0004749600000000, -0.0000757000000000 ] - [ -0.0001623800000000, 0.0000771300000000, -0.0001761100000000 ] - [ -0.0001179900000000, -0.0003309400000000, 0.0003708300000000 ] - [ 0.0001179900000000, -0.0003309400000000, -0.0003708300000000 ] - [ -0.0001402200000000, 0.0000167800000000, -0.0000827000000000 ] - [ 0.0005860300000000, -0.0006966800000000, 0.0001490100000000 ] - [ -0.0008990800000000, 0.0002954800000000, 0.0005776700000000 ] - [ 0.0000485500000000, -0.0001141400000000, 0.0003909000000000 ] - [ 0.0007092400000000, 0.0002930300000000, 0.0003589000000000 ] - [ 0.0000049900000000, 0.0004749600000000, 0.0000757000000000 ] - [ -0.0001054900000000, -0.0002261900000000, -0.0001833000000000 ] - [ 0.0001900700000000, -0.0000178400000000, -0.0001873600000000 ] - [ -0.0017486200000000, 0.0038346000000000, 0.0021061300000000 ] - [ 0.0001623800000000, 0.0000771300000000, 0.0001761100000000 ] - [ -0.0005969800000000, 0.0007334300000000, 0.0001798400000000 ] - [ 0.0002745000000000, 0.0008037000000000, -0.0002568600000000 ] - [ 0.0000203600000000, -0.0002349500000000, 0.0002805500000000 ] - [ 0.0001294200000000, -0.0000117200000000, -0.0000081900000000 ] - [ -0.0001900700000000, -0.0000178400000000, 0.0001873600000000 ] - [ 0.0008990800000000, 0.0002954800000000, -0.0005776700000000 ] - [ -0.0001294200000000, -0.0000117200000000, 0.0000081900000000 ] - [ -0.0002745000000000, 0.0008037000000000, 0.0002568600000000 ] - [ 0.0033039100000000, 0.0069087700000000, 0.0044306300000000 ] - [ 0.0005969800000000, 0.0007334300000000, -0.0001798400000000 ] - [ -0.0001482800000000, -0.0008225600000000, 0.0005866100000000 ] - [ 0.0001405600000000, 0.0002849900000000, -0.0002894000000000 ] - [ 0.0000188200000000, -0.0003672000000000, 0.0000409800000000 ] - [ -0.0005860300000000, -0.0006966800000000, -0.0001490100000000 ] - [ -0.0007092400000000, 0.0002930300000000, -0.0003589000000000 ] - [ 0.0001054900000000, -0.0002261900000000, 0.0001833000000000 ] - [ -0.0003279300000000, -0.0007972400000000, -0.0001306000000000 ] - [ -0.0000485500000000, -0.0001141400000000, -0.0003909000000000 ] - [ 0.0000196000000000, -0.0004373200000000, 0.0002639800000000 ] - [ -0.0001292300000000, -0.0008483500000000, 0.0000461900000000 ] - [ 0.0000858700000000, 0.0012586200000000, 0.0001273500000000 ] - [ -0.0000858700000000, 0.0012586200000000, -0.0001273500000000 ] - [ 0.0003279300000000, -0.0007972400000000, 0.0001306000000000 ] - [ -0.0000569900000000, 0.0001369100000000, -0.0000137700000000 ] - [ -0.0000163200000000, -0.0002860600000000, 0.0000244900000000 ] - [ 0.0004610000000000, -0.0007534000000000, 0.0003041500000000 ] - [ 0.0001291500000000, -0.0001357300000000, -0.0000201700000000 ] - [ -0.0000196000000000, -0.0004373200000000, -0.0002639800000000 ] - [ 0.0033561100000000, 0.0031835000000000, -0.0018118500000000 ] - [ 0.0002836000000000, 0.0002311100000000, -0.0002065800000000 ] - [ -0.0002074700000000, 0.0013761400000000, 0.0001790000000000 ] - [ -0.0002836000000000, 0.0002311100000000, 0.0002065800000000 ] - [ -0.0033561100000000, 0.0031835000000000, 0.0018118500000000 ] - [ 0.0012747500000000, 0.0014591100000000, 0.0017842100000000 ] - [ -0.0001560200000000, -0.0004439900000000, -0.0000539200000000 ] - [ 0.0003307100000000, -0.0002214400000000, -0.0002202800000000 ] - [ -0.0002460400000000, 0.0005234000000000, -0.0000751800000000 ] - [ 0.0031942600000000, -0.0047988900000000, -0.0018576900000000 ] - [ 0.0001560200000000, -0.0004439900000000, 0.0000539200000000 ] - [ -0.0031942600000000, -0.0047988900000000, 0.0018576900000000 ] - [ 0.0002460400000000, 0.0005234000000000, 0.0000751800000000 ] - [ -0.0003307100000000, -0.0002214400000000, 0.0002202800000000 ] - [ 0.0002074700000000, 0.0013761400000000, -0.0001790000000000 ] - [ -0.0012747500000000, 0.0014591100000000, -0.0017842100000000 ]- atom: 10 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0007546400000000, 0.0000000000000000 ] - [ 0.0002142900000000, -0.0000178700000000, -0.0001954600000000 ] - [ 0.0000000000000000, 0.0001418900000000, 0.0000000000000000 ] - [ -0.0001072100000000, -0.0005263100000000, 0.0003967000000000 ] - [ 0.0000000000000000, -0.0002993900000000, 0.0000000000000000 ] - [ 0.0001072100000000, -0.0005263100000000, -0.0003967000000000 ] - [ 0.0000000000000000, 0.0003431600000000, 0.0000000000000000 ] - [ -0.0002142900000000, -0.0000178700000000, 0.0001954600000000 ] - [ -0.0001098900000000, -0.0011804200000000, 0.0000829400000000 ] - [ 0.0000000000000000, 0.0371329200000000, 0.0000000000000000 ] - [ -0.0000464600000000, -0.0000704200000000, 0.0006331800000000 ] - [ 0.0000000000000000, 0.0000947600000000, 0.0000000000000000 ] - [ 0.0000464600000000, -0.0000704200000000, -0.0006331800000000 ] - [ -0.0000669100000000, 0.0018804200000000, 0.0002983900000000 ] - [ -0.0003124400000000, -0.0012245200000000, 0.0022637700000000 ] - [ 0.0000000000000000, -0.0005390700000000, 0.0000000000000000 ] - [ 0.0001098900000000, -0.0011804200000000, -0.0000829400000000 ] - [ 0.0003124400000000, -0.0012245200000000, -0.0022637700000000 ] - [ 0.0000669100000000, 0.0018804200000000, -0.0002983900000000 ] - [ 0.0000000000000000, -0.0001961200000000, 0.0000000000000000 ] - [ -0.0000966000000000, 0.0004554900000000, 0.0000794400000000 ] - [ 0.0000000000000000, 0.0000247500000000, 0.0000000000000000 ] - [ -0.0000465800000000, -0.0003562000000000, 0.0007950200000000 ] - [ 0.0000000000000000, -0.0077017800000000, 0.0000000000000000 ] - [ 0.0000465800000000, -0.0003562000000000, -0.0007950200000000 ] - [ 0.0000044300000000, -0.0005950800000000, -0.0001644800000000 ] - [ 0.0001373500000000, -0.0001400100000000, 0.0002359800000000 ] - [ 0.0000000000000000, 0.0006023000000000, 0.0000000000000000 ] - [ 0.0000966000000000, 0.0004554900000000, -0.0000794400000000 ] - [ -0.0001373500000000, -0.0001400100000000, -0.0002359800000000 ] - [ -0.0000044300000000, -0.0005950800000000, 0.0001644800000000 ] - [ 0.0000000000000000, -0.0002319000000000, 0.0000000000000000 ] - [ 0.0000972500000000, 0.0026644400000000, -0.0009856400000000 ] - [ -0.0000576900000000, -0.0002814100000000, 0.0000325300000000 ] - [ 0.0000576900000000, -0.0002814100000000, -0.0000325300000000 ] - [ -0.0000972500000000, 0.0026644400000000, 0.0009856400000000 ] - [ -0.0056398700000000, -0.0055060500000000, -0.0059365900000000 ] - [ -0.0008927200000000, 0.0010493300000000, 0.0003106700000000 ] - [ -0.0001275300000000, 0.0002169600000000, 0.0000442000000000 ] - [ -0.0000644100000000, 0.0004634000000000, 0.0004505000000000 ] - [ 0.0000643700000000, 0.0003039500000000, -0.0003337600000000 ] - [ -0.0001464600000000, 0.0006238800000000, 0.0001688600000000 ] - [ 0.0031862900000000, -0.0067802500000000, 0.0047180700000000 ] - [ -0.0004922800000000, -0.0011102300000000, -0.0004535700000000 ] - [ 0.0008927200000000, 0.0010493300000000, -0.0003106700000000 ] - [ 0.0001339500000000, 0.0001406100000000, 0.0000198700000000 ] - [ 0.0004922800000000, -0.0011102300000000, 0.0004535700000000 ] - [ 0.0001464600000000, 0.0006238800000000, -0.0001688600000000 ] - [ 0.0000564900000000, 0.0002532900000000, -0.0001657600000000 ] - [ -0.0000643700000000, 0.0003039500000000, 0.0003337600000000 ] - [ 0.0000165300000000, -0.0001740800000000, 0.0000511800000000 ] - [ -0.0000223100000000, 0.0009294100000000, 0.0002397400000000 ] - [ -0.0016245600000000, -0.0039844300000000, 0.0021499100000000 ] - [ -0.0000409700000000, -0.0001023600000000, -0.0004584500000000 ] - [ 0.0000183100000000, 0.0002569800000000, 0.0003208800000000 ] - [ 0.0056398700000000, -0.0055060500000000, 0.0059365900000000 ] - [ 0.0002431600000000, -0.0000810000000000, 0.0003193000000000 ] - [ 0.0008431400000000, 0.0008136700000000, -0.0000963100000000 ] - [ 0.0000409300000000, -0.0004923300000000, 0.0005226100000000 ] - [ 0.0000979300000000, -0.0004613000000000, -0.0002248700000000 ] - [ 0.0000533200000000, 0.0007148600000000, 0.0000322200000000 ] - [ -0.0000533200000000, 0.0007148600000000, -0.0000322200000000 ] - [ -0.0002431600000000, -0.0000810000000000, -0.0003193000000000 ] - [ -0.0006060100000000, 0.0007352600000000, 0.0002971000000000 ] - [ 0.0007477500000000, -0.0004460400000000, -0.0005765000000000 ] - [ -0.0004354200000000, 0.0001806000000000, 0.0000084000000000 ] - [ -0.0005953200000000, -0.0001699800000000, -0.0006966800000000 ] - [ -0.0000409300000000, -0.0004923300000000, -0.0005226100000000 ] - [ -0.0000057000000000, 0.0001034600000000, -0.0001571300000000 ] - [ -0.0002100000000000, -0.0000190400000000, -0.0002614100000000 ] - [ 0.0016245600000000, -0.0039844300000000, -0.0021499100000000 ] - [ -0.0000979300000000, -0.0004613000000000, 0.0002248700000000 ] - [ 0.0004739800000000, -0.0008424700000000, -0.0005197100000000 ] - [ -0.0004187100000000, -0.0006515100000000, 0.0002500700000000 ] - [ -0.0000564900000000, 0.0002532900000000, 0.0001657600000000 ] - [ 0.0000207600000000, 0.0001575200000000, 0.0000123600000000 ] - [ 0.0002100000000000, -0.0000190400000000, 0.0002614100000000 ] - [ -0.0007477500000000, -0.0004460400000000, 0.0005765000000000 ] - [ -0.0000207600000000, 0.0001575200000000, -0.0000123600000000 ] - [ 0.0004187100000000, -0.0006515100000000, -0.0002500700000000 ] - [ -0.0031862900000000, -0.0067802500000000, -0.0047180700000000 ] - [ -0.0004739800000000, -0.0008424700000000, 0.0005197100000000 ] - [ 0.0000223100000000, 0.0009294100000000, -0.0002397400000000 ] - [ -0.0000165300000000, -0.0001740800000000, -0.0000511800000000 ] - [ 0.0001275300000000, 0.0002169600000000, -0.0000442000000000 ] - [ 0.0006060100000000, 0.0007352600000000, -0.0002971000000000 ] - [ 0.0005953200000000, -0.0001699800000000, 0.0006966800000000 ] - [ 0.0000057000000000, 0.0001034600000000, 0.0001571300000000 ] - [ 0.0007098900000000, 0.0007327300000000, 0.0005291900000000 ] - [ 0.0004354200000000, 0.0001806000000000, -0.0000084000000000 ] - [ 0.0000163600000000, 0.0004196600000000, 0.0001812100000000 ] - [ 0.0000644100000000, 0.0004634000000000, -0.0004505000000000 ] - [ -0.0001473400000000, -0.0008717000000000, 0.0002730300000000 ] - [ 0.0001473400000000, -0.0008717000000000, -0.0002730300000000 ] - [ -0.0007098900000000, 0.0007327300000000, -0.0005291900000000 ] - [ 0.0000409700000000, -0.0001023600000000, 0.0004584500000000 ] - [ -0.0001339500000000, 0.0001406100000000, -0.0000198700000000 ] - [ -0.0008431400000000, 0.0008136700000000, 0.0000963100000000 ] - [ -0.0000183100000000, 0.0002569800000000, -0.0003208800000000 ] - [ -0.0000163600000000, 0.0004196600000000, -0.0001812100000000 ] - [ -0.0041171600000000, -0.0027732400000000, 0.0015255800000000 ] - [ 0.0001234900000000, -0.0009777200000000, -0.0000595100000000 ] - [ 0.0006097300000000, -0.0006284900000000, 0.0000818400000000 ] - [ -0.0001234900000000, -0.0009777200000000, 0.0000595100000000 ] - [ 0.0041171600000000, -0.0027732400000000, -0.0015255800000000 ] - [ -0.0020166600000000, -0.0018584300000000, -0.0015193300000000 ] - [ -0.0002498100000000, 0.0011878000000000, -0.0002146300000000 ] - [ 0.0004127200000000, -0.0001829900000000, -0.0000471700000000 ] - [ -0.0005012600000000, -0.0001191400000000, -0.0001925700000000 ] - [ -0.0027769200000000, 0.0040328500000000, 0.0016062200000000 ] - [ 0.0002498100000000, 0.0011878000000000, 0.0002146300000000 ] - [ 0.0027769200000000, 0.0040328500000000, -0.0016062200000000 ] - [ 0.0005012600000000, -0.0001191400000000, 0.0001925700000000 ] - [ -0.0004127200000000, -0.0001829900000000, 0.0000471700000000 ] - [ -0.0006097300000000, -0.0006284900000000, -0.0000818400000000 ] - [ 0.0020166600000000, -0.0018584300000000, 0.0015193300000000 ]- atom: 10 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000958000000000, -0.0003677100000000, -0.0002643400000000 ] - [ 0.0004402200000000, 0.0000444100000000, 0.0001367800000000 ] - [ -0.0000801000000000, 0.0003671300000000, -0.0000944600000000 ] - [ 0.0006726100000000, -0.0011054600000000, 0.0004001600000000 ] - [ 0.0000168800000000, -0.0003679000000000, 0.0001998800000000 ] - [ 0.0014033400000000, 0.0010986000000000, 0.0003957800000000 ] - [ 0.0000104900000000, 0.0003662000000000, 0.0008586800000000 ] - [ -0.0002950200000000, -0.0000450400000000, 0.0001355600000000 ] - [ -0.0000250300000000, 0.0002015700000000, -0.0003318900000000 ] - [ -0.0089399000000000, 0.0002358500000000, -0.0518914700000000 ] - [ -0.0005508600000000, -0.0010291400000000, 0.0000659700000000 ] - [ 0.0000076800000000, 0.0000978100000000, 0.0003618700000000 ] - [ -0.0010416600000000, 0.0010264500000000, 0.0000629100000000 ] - [ 0.0023142000000000, 0.0002138800000000, 0.0011536000000000 ] - [ 0.0000752500000000, -0.0022600000000000, 0.0015816800000000 ] - [ -0.0001612900000000, -0.0002466100000000, 0.0004173100000000 ] - [ -0.0000224500000000, -0.0002030000000000, -0.0005576900000000 ] - [ -0.0001248500000000, 0.0022497300000000, 0.0015765600000000 ] - [ 0.0023026500000000, -0.0002185700000000, 0.0013767000000000 ] - [ 0.0003554800000000, -0.0000989500000000, -0.0005113600000000 ] - [ -0.0001146100000000, 0.0001970000000000, 0.0012819000000000 ] - [ 0.0000426900000000, 0.0002464200000000, 0.0002448900000000 ] - [ -0.0003830500000000, -0.0005945200000000, 0.0000687200000000 ] - [ -0.0000014300000000, 0.0000852100000000, -0.0030662800000000 ] - [ -0.0008789600000000, 0.0005958300000000, 0.0000600900000000 ] - [ 0.0000659700000000, 0.0000122600000000, 0.0000246300000000 ] - [ 0.0000893900000000, -0.0000805800000000, 0.0000857000000000 ] - [ -0.0000632200000000, -0.0002457700000000, -0.0005081200000000 ] - [ -0.0001186800000000, -0.0001979800000000, 0.0010568400000000 ] - [ -0.0001051700000000, 0.0000807800000000, 0.0000841100000000 ] - [ 0.0000666700000000, -0.0000122300000000, 0.0002487800000000 ] - [ 0.0003724400000000, -0.0000952900000000, 0.0013539500000000 ] - [ -0.0033541200000000, 0.0008640200000000, -0.0015014900000000 ] - [ -0.0000521200000000, -0.0000400600000000, 0.0000953800000000 ] - [ -0.0000517600000000, 0.0000396300000000, 0.0000961200000000 ] - [ -0.0033476200000000, -0.0008500300000000, -0.0014829300000000 ] - [ 0.0044328800000000, 0.0037367300000000, 0.0073768300000000 ] - [ 0.0003711500000000, -0.0000339300000000, 0.0011572600000000 ] - [ -0.0001072000000000, -0.0000994700000000, -0.0000673500000000 ] - [ 0.0000635500000000, -0.0004035400000000, 0.0003110400000000 ] - [ -0.0000940800000000, -0.0000086500000000, 0.0000342200000000 ] - [ 0.0001727000000000, -0.0000210600000000, -0.0000297500000000 ] - [ 0.0029020000000000, -0.0051588800000000, 0.0064717800000000 ] - [ -0.0003250800000000, -0.0001966900000000, 0.0026941200000000 ] - [ 0.0003857300000000, 0.0000017100000000, 0.0016053300000000 ] - [ 0.0001073400000000, -0.0000076900000000, -0.0003118100000000 ] - [ -0.0004395800000000, 0.0003731200000000, 0.0026893800000000 ] - [ 0.0003214700000000, 0.0001706800000000, -0.0000259900000000 ] - [ -0.0000502700000000, -0.0000190700000000, -0.0002945700000000 ] - [ 0.0000291900000000, -0.0001031600000000, 0.0003734900000000 ] - [ 0.0000670600000000, 0.0001505800000000, -0.0000839100000000 ] - [ 0.0001629600000000, -0.0000952100000000, 0.0000457100000000 ] - [ -0.0018509500000000, -0.0026835100000000, 0.0052974600000000 ] - [ 0.0002491000000000, 0.0000411200000000, -0.0011544700000000 ] - [ -0.0002462300000000, 0.0000292300000000, -0.0004036700000000 ] - [ 0.0046824300000000, -0.0039762600000000, 0.0077930500000000 ] - [ 0.0001057800000000, -0.0002573800000000, -0.0003279500000000 ] - [ -0.0006970000000000, -0.0008400900000000, 0.0001836100000000 ] - [ -0.0003243200000000, -0.0001097400000000, 0.0002963400000000 ] - [ -0.0001483500000000, -0.0001022900000000, -0.0004395800000000 ] - [ -0.0000466000000000, 0.0001364600000000, 0.0001411600000000 ] - [ 0.0000154400000000, 0.0002506200000000, -0.0002561200000000 ] - [ -0.0002823400000000, 0.0001962000000000, -0.0007272500000000 ] - [ 0.0002478500000000, -0.0003441000000000, 0.0005418900000000 ] - [ -0.0001356800000000, 0.0007001100000000, 0.0016365600000000 ] - [ -0.0003940800000000, 0.0004268700000000, -0.0007492700000000 ] - [ 0.0000726600000000, 0.0002966000000000, 0.0005233000000000 ] - [ -0.0003596800000000, 0.0000941500000000, -0.0001488600000000 ] - [ -0.0001393700000000, -0.0001426000000000, -0.0003537100000000 ] - [ -0.0000741400000000, -0.0000564700000000, -0.0007332100000000 ] - [ -0.0018524800000000, 0.0024248000000000, 0.0050583600000000 ] - [ -0.0000864000000000, -0.0002857200000000, -0.0000393600000000 ] - [ 0.0007112700000000, 0.0008270700000000, -0.0019634000000000 ] - [ 0.0004103200000000, -0.0000485300000000, 0.0000279500000000 ] - [ -0.0000850500000000, 0.0000350000000000, 0.0001521100000000 ] - [ 0.0001536800000000, 0.0000625000000000, -0.0002728900000000 ] - [ -0.0000587100000000, 0.0000206400000000, -0.0002860100000000 ] - [ 0.0000100800000000, -0.0008459100000000, 0.0016309900000000 ] - [ 0.0000046300000000, 0.0000870800000000, -0.0002763300000000 ] - [ 0.0005597200000000, 0.0001955200000000, 0.0000293100000000 ] - [ 0.0030589700000000, 0.0053962600000000, 0.0062472700000000 ] - [ 0.0008407300000000, -0.0009456100000000, -0.0016316300000000 ] - [ 0.0000379500000000, 0.0002080700000000, 0.0003835800000000 ] - [ 0.0001902400000000, -0.0000386300000000, -0.0004243600000000 ] - [ 0.0000410100000000, -0.0000497000000000, -0.0000708400000000 ] - [ 0.0002671400000000, 0.0003837200000000, 0.0000964900000000 ] - [ -0.0000401800000000, -0.0001745200000000, 0.0008656900000000 ] - [ -0.0000261300000000, 0.0000182300000000, -0.0000141400000000 ] - [ -0.0003114500000000, -0.0001983100000000, 0.0012374000000000 ] - [ -0.0000062800000000, -0.0003638200000000, -0.0011443600000000 ] - [ -0.0000487000000000, -0.0002153800000000, 0.0001344800000000 ] - [ 0.0000008100000000, 0.0000165300000000, -0.0000880100000000 ] - [ -0.0007879100000000, 0.0006704400000000, -0.0013500600000000 ] - [ -0.0007202000000000, -0.0002788800000000, -0.0017477800000000 ] - [ -0.0006965300000000, 0.0001345200000000, 0.0008334900000000 ] - [ 0.0002331400000000, -0.0000048200000000, -0.0007099700000000 ] - [ -0.0000439800000000, -0.0001419200000000, -0.0003095600000000 ] - [ -0.0010803700000000, 0.0008999800000000, 0.0005817800000000 ] - [ -0.0001343700000000, 0.0000939200000000, -0.0007438700000000 ] - [ -0.0000839400000000, 0.0001990700000000, -0.0003119300000000 ] - [ 0.0018479600000000, 0.0024290400000000, -0.0047560700000000 ] - [ 0.0003527200000000, -0.0003526200000000, -0.0000392500000000 ] - [ 0.0000099100000000, 0.0002013600000000, 0.0001236400000000 ] - [ -0.0000517200000000, -0.0003963600000000, 0.0002275300000000 ] - [ 0.0025865100000000, -0.0020191000000000, -0.0044788000000000 ] - [ -0.0010177100000000, -0.0010777600000000, -0.0018771100000000 ] - [ -0.0003654000000000, 0.0005009300000000, 0.0000344100000000 ] - [ 0.0001749000000000, -0.0000974000000000, 0.0006319100000000 ] - [ -0.0001452200000000, 0.0005539200000000, 0.0005158000000000 ] - [ 0.0000311000000000, -0.0012740200000000, 0.0086742800000000 ] - [ 0.0000405600000000, 0.0002472100000000, 0.0003001500000000 ] - [ -0.0003884200000000, 0.0005436300000000, 0.0090567500000000 ] - [ 0.0006000000000000, -0.0001490100000000, 0.0007812000000000 ] - [ -0.0005718100000000, -0.0003095300000000, 0.0008994000000000 ] - [ -0.0003969000000000, 0.0005443200000000, -0.0001453300000000 ] - [ -0.0002661200000000, 0.0006654700000000, -0.0021225200000000 ]- atom: 12 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002154000000000, -0.0003673400000000, -0.0000291000000000 ] - [ -0.0006404500000000, -0.0003616200000000, 0.0013045800000000 ] - [ -0.0001046700000000, 0.0003682100000000, 0.0000768100000000 ] - [ -0.0003193900000000, 0.0000202800000000, 0.0000511000000000 ] - [ -0.0002869300000000, -0.0003674700000000, 0.0000953500000000 ] - [ 0.0004158000000000, -0.0000199500000000, 0.0000506300000000 ] - [ 0.0008541900000000, 0.0003691200000000, 0.0000071700000000 ] - [ -0.0013672100000000, 0.0003552500000000, 0.0013022600000000 ] - [ 0.0000860200000000, -0.0000827500000000, 0.0000979000000000 ] - [ 0.0003485200000000, 0.0002476200000000, 0.0000081800000000 ] - [ 0.0014723700000000, -0.0002043000000000, -0.0022606300000000 ] - [ -0.0482269800000000, 0.0000620100000000, 0.0086633300000000 ] - [ 0.0009754700000000, 0.0002091800000000, -0.0022492200000000 ] - [ 0.0000668700000000, -0.0010324400000000, 0.0007406500000000 ] - [ 0.0013223900000000, -0.0001116800000000, 0.0001197600000000 ] - [ 0.0013500700000000, -0.0002496100000000, -0.0003559300000000 ] - [ 0.0000883400000000, 0.0000818800000000, -0.0001268800000000 ] - [ 0.0011284600000000, 0.0001126100000000, 0.0001228300000000 ] - [ 0.0000696900000000, 0.0010355100000000, 0.0009682100000000 ] - [ -0.0005900000000000, -0.0000982000000000, 0.0001342000000000 ] - [ 0.0015757300000000, -0.0023101800000000, 0.0000371500000000 ] - [ -0.0029667800000000, 0.0002606900000000, -0.0000012100000000 ] - [ 0.0003878800000000, -0.0000015300000000, -0.0000804900000000 ] - [ 0.0002663300000000, 0.0000976300000000, -0.0000403500000000 ] - [ -0.0001076100000000, 0.0000014500000000, -0.0000809300000000 ] - [ 0.0000770500000000, -0.0005968200000000, 0.0004889300000000 ] - [ -0.0003830900000000, -0.0001116100000000, -0.0000022900000000 ] - [ -0.0004640800000000, -0.0002461400000000, -0.0003723200000000 ] - [ 0.0015816800000000, 0.0023216300000000, -0.0001938800000000 ] - [ -0.0005784200000000, 0.0001126600000000, -0.0000043000000000 ] - [ 0.0000859700000000, 0.0005949400000000, 0.0007106500000000 ] - [ 0.0004862100000000, -0.0000968200000000, 0.0001593400000000 ] - [ 0.0003344500000000, 0.0000665000000000, -0.0002478600000000 ] - [ 0.0012556400000000, -0.0024442700000000, -0.0016778400000000 ] - [ 0.0012496500000000, 0.0024424600000000, -0.0016777400000000 ] - [ 0.0003370800000000, -0.0000654200000000, -0.0002493400000000 ] - [ -0.0003205100000000, -0.0001557400000000, -0.0002628200000000 ] - [ -0.0002731500000000, -0.0000979100000000, -0.0001103500000000 ] - [ 0.0013417400000000, 0.0003503000000000, 0.0007035900000000 ] - [ -0.0004724300000000, -0.0001648500000000, 0.0002564400000000 ] - [ 0.0006703200000000, 0.0001484100000000, -0.0001125600000000 ] - [ -0.0015674600000000, -0.0003323600000000, 0.0005691800000000 ] - [ -0.0003041900000000, -0.0000319500000000, 0.0001505900000000 ] - [ -0.0000143400000000, 0.0000079800000000, 0.0000840600000000 ] - [ -0.0002564600000000, 0.0000631100000000, 0.0003374700000000 ] - [ -0.0001055400000000, 0.0003684100000000, 0.0000144800000000 ] - [ -0.0001656200000000, 0.0001397900000000, 0.0000812100000000 ] - [ -0.0014142700000000, 0.0004825000000000, 0.0005711600000000 ] - [ 0.0026243800000000, -0.0003940900000000, 0.0002088500000000 ] - [ 0.0007903200000000, -0.0002594500000000, 0.0002273100000000 ] - [ 0.0076611600000000, 0.0038004300000000, -0.0042540000000000 ] - [ -0.0001301100000000, 0.0001512600000000, -0.0000728300000000 ] - [ -0.0004847600000000, -0.0002913700000000, 0.0000583900000000 ] - [ -0.0015108100000000, -0.0003338200000000, 0.0006190900000000 ] - [ -0.0019090000000000, 0.0009854600000000, -0.0005406200000000 ] - [ -0.0002084200000000, 0.0000329700000000, 0.0000774200000000 ] - [ 0.0056015600000000, 0.0024112400000000, 0.0030180700000000 ] - [ 0.0003233700000000, 0.0000566500000000, -0.0004519500000000 ] - [ 0.0014495800000000, -0.0003611700000000, 0.0005585900000000 ] - [ 0.0012936300000000, -0.0002232600000000, -0.0005863200000000 ] - [ 0.0002850700000000, 0.0005455600000000, -0.0000919200000000 ] - [ 0.0003495900000000, -0.0001653400000000, -0.0004982000000000 ] - [ 0.0049528900000000, -0.0023643600000000, 0.0024535100000000 ] - [ -0.0000546900000000, -0.0000197100000000, 0.0002536100000000 ] - [ -0.0000448500000000, -0.0001342300000000, 0.0003896600000000 ] - [ -0.0002332900000000, -0.0001110700000000, -0.0000310500000000 ] - [ 0.0002591300000000, 0.0000111400000000, -0.0001212600000000 ] - [ 0.0014105600000000, 0.0003411300000000, 0.0001161800000000 ] - [ 0.0001873300000000, -0.0001814900000000, -0.0003019200000000 ] - [ 0.0001169800000000, -0.0002109500000000, -0.0002459100000000 ] - [ -0.0006340900000000, 0.0001393700000000, 0.0000608000000000 ] - [ 0.0013548000000000, -0.0001658900000000, -0.0001855800000000 ] - [ -0.0006749700000000, -0.0000603400000000, 0.0000308900000000 ] - [ 0.0002301200000000, -0.0006896200000000, 0.0008332100000000 ] - [ 0.0025893400000000, 0.0003777800000000, 0.0006189200000000 ] - [ 0.0041226800000000, 0.0031831100000000, -0.0018898400000000 ] - [ 0.0001329500000000, 0.0001744600000000, 0.0002013300000000 ] - [ 0.0001055200000000, -0.0000134600000000, 0.0003867500000000 ] - [ 0.0041453600000000, -0.0032153700000000, -0.0019878500000000 ] - [ 0.0003794900000000, 0.0008434500000000, 0.0008404400000000 ] - [ -0.0002677600000000, 0.0000474600000000, -0.0002959800000000 ] - [ -0.0005527500000000, -0.0000515900000000, 0.0003716900000000 ] - [ -0.0002540500000000, -0.0000384900000000, 0.0002661600000000 ] - [ 0.0076992100000000, -0.0035711900000000, -0.0044524700000000 ] - [ 0.0014849300000000, -0.0004977900000000, 0.0006977500000000 ] - [ -0.0000410600000000, 0.0000550500000000, -0.0001943200000000 ] - [ 0.0001461500000000, 0.0001111900000000, 0.0002183800000000 ] - [ 0.0003016000000000, 0.0000576100000000, 0.0000361800000000 ] - [ 0.0001168200000000, -0.0000546200000000, 0.0002295000000000 ] - [ 0.0001523600000000, 0.0001746100000000, -0.0004322300000000 ] - [ -0.0003582400000000, -0.0000006900000000, 0.0001656500000000 ] - [ -0.0005356500000000, -0.0002207100000000, -0.0001440500000000 ] - [ -0.0009045500000000, 0.0002267500000000, -0.0000397700000000 ] - [ -0.0008401000000000, 0.0001582500000000, -0.0004416200000000 ] - [ -0.0002685500000000, -0.0000098200000000, -0.0001712300000000 ] - [ -0.0015246000000000, 0.0003672200000000, 0.0010604900000000 ] - [ -0.0002568800000000, -0.0005153700000000, 0.0000180000000000 ] - [ -0.0000644000000000, 0.0000099100000000, -0.0000506700000000 ] - [ -0.0017884500000000, -0.0008565200000000, -0.0008753800000000 ] - [ -0.0003935500000000, -0.0000142300000000, -0.0002830000000000 ] - [ -0.0001799800000000, 0.0003322600000000, -0.0000014700000000 ] - [ -0.0018881900000000, 0.0004029300000000, 0.0004126400000000 ] - [ 0.0009772600000000, 0.0009016100000000, -0.0001614400000000 ] - [ -0.0022705600000000, -0.0011441600000000, 0.0006699200000000 ] - [ 0.0005694600000000, 0.0000703000000000, 0.0002625900000000 ] - [ -0.0002819300000000, -0.0001787200000000, -0.0000051100000000 ] - [ -0.0048618200000000, -0.0016989900000000, -0.0021792300000000 ] - [ 0.0085507300000000, 0.0008210800000000, -0.0003183600000000 ] - [ -0.0004221300000000, 0.0003892600000000, 0.0000784500000000 ] - [ 0.0009763200000000, -0.0002342400000000, 0.0000618300000000 ] - [ -0.0044465700000000, 0.0024419000000000, -0.0019037800000000 ] - [ 0.0005684200000000, -0.0005108400000000, 0.0003285100000000 ] - [ 0.0003221400000000, 0.0000183400000000, 0.0003467600000000 ] - [ 0.0079059500000000, -0.0012362800000000, -0.0000394000000000 ] - [ 0.0005725500000000, -0.0001540700000000, -0.0004288300000000 ] - [ 0.0004633400000000, -0.0002256200000000, -0.0002710800000000 ]- atom: 12 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0004443300000000, 0.0000000000000000 ] - [ -0.0003598400000000, -0.0010956800000000, -0.0000805900000000 ] - [ 0.0000000000000000, 0.0006005000000000, 0.0000000000000000 ] - [ -0.0003383800000000, 0.0001270800000000, 0.0000420500000000 ] - [ 0.0000000000000000, 0.0000043500000000, 0.0000000000000000 ] - [ 0.0003383800000000, 0.0001270800000000, -0.0000420500000000 ] - [ 0.0000000000000000, 0.0004108800000000, 0.0000000000000000 ] - [ 0.0003598400000000, -0.0010956800000000, 0.0000805900000000 ] - [ -0.0002393700000000, 0.0001278000000000, 0.0001490700000000 ] - [ 0.0000000000000000, 0.0002504000000000, 0.0000000000000000 ] - [ 0.0006570100000000, -0.0019161200000000, -0.0000228400000000 ] - [ 0.0000000000000000, -0.0340867300000000, 0.0000000000000000 ] - [ -0.0006570100000000, -0.0019161200000000, 0.0000228400000000 ] - [ -0.0006397400000000, 0.0000598700000000, -0.0004131600000000 ] - [ 0.0000486900000000, -0.0004807100000000, 0.0000641100000000 ] - [ 0.0000000000000000, -0.0001481100000000, 0.0000000000000000 ] - [ 0.0002393700000000, 0.0001278000000000, -0.0001490700000000 ] - [ -0.0000486900000000, -0.0004807100000000, -0.0000641100000000 ] - [ 0.0006397400000000, 0.0000598700000000, 0.0004131600000000 ] - [ 0.0000000000000000, -0.0009622700000000, 0.0000000000000000 ] - [ -0.0021914700000000, 0.0012647200000000, -0.0002560200000000 ] - [ 0.0000000000000000, 0.0080440300000000, 0.0000000000000000 ] - [ 0.0002073800000000, 0.0006098800000000, -0.0000078700000000 ] - [ 0.0000000000000000, 0.0003419800000000, 0.0000000000000000 ] - [ -0.0002073800000000, 0.0006098800000000, 0.0000078700000000 ] - [ -0.0008544100000000, 0.0003113900000000, -0.0004196900000000 ] - [ 0.0000474900000000, 0.0012259700000000, 0.0001351300000000 ] - [ 0.0000000000000000, -0.0001127900000000, 0.0000000000000000 ] - [ 0.0021914700000000, 0.0012647200000000, 0.0002560200000000 ] - [ -0.0000474900000000, 0.0012259700000000, -0.0001351300000000 ] - [ 0.0008544100000000, 0.0003113900000000, 0.0004196900000000 ] - [ 0.0000000000000000, 0.0002310500000000, 0.0000000000000000 ] - [ 0.0004390100000000, 0.0000011200000000, -0.0003872000000000 ] - [ -0.0008202100000000, 0.0011833000000000, 0.0005200100000000 ] - [ 0.0008202100000000, 0.0011833000000000, -0.0005200100000000 ] - [ -0.0004390100000000, 0.0000011200000000, 0.0003872000000000 ] - [ -0.0001660700000000, 0.0001686400000000, -0.0002181100000000 ] - [ -0.0000317700000000, 0.0002533000000000, -0.0003727900000000 ] - [ 0.0002301200000000, -0.0008767600000000, -0.0005089500000000 ] - [ -0.0000155600000000, -0.0001731800000000, 0.0004155800000000 ] - [ 0.0004952300000000, 0.0002084200000000, -0.0008305900000000 ] - [ -0.0006206500000000, -0.0001002900000000, 0.0003827100000000 ] - [ -0.0000394800000000, -0.0000578600000000, 0.0001477700000000 ] - [ -0.0000316800000000, -0.0002271600000000, 0.0000725700000000 ] - [ 0.0000317700000000, 0.0002533000000000, 0.0003727900000000 ] - [ 0.0001309600000000, -0.0006668900000000, 0.0000587200000000 ] - [ 0.0000316800000000, -0.0002271600000000, -0.0000725700000000 ] - [ 0.0006206500000000, -0.0001002900000000, -0.0003827100000000 ] - [ -0.0006482100000000, 0.0006890000000000, 0.0001991200000000 ] - [ -0.0004952300000000, 0.0002084200000000, 0.0008305900000000 ] - [ 0.0052028600000000, 0.0051280600000000, -0.0045227000000000 ] - [ 0.0000719900000000, -0.0001199300000000, -0.0002297300000000 ] - [ -0.0000893100000000, -0.0000491300000000, 0.0000656100000000 ] - [ -0.0000479500000000, 0.0009832700000000, -0.0000475500000000 ] - [ 0.0002264000000000, 0.0009129500000000, 0.0006583500000000 ] - [ 0.0001660700000000, 0.0001686400000000, 0.0002181100000000 ] - [ 0.0023345200000000, 0.0035769600000000, 0.0021447600000000 ] - [ 0.0003879300000000, 0.0006433200000000, -0.0000003700000000 ] - [ -0.0004743500000000, 0.0001352500000000, -0.0006941300000000 ] - [ -0.0005697300000000, -0.0013257800000000, -0.0011145800000000 ] - [ 0.0000534000000000, -0.0006098800000000, 0.0008821900000000 ] - [ -0.0000534000000000, -0.0006098800000000, -0.0008821900000000 ] - [ -0.0023345200000000, 0.0035769600000000, -0.0021447600000000 ] - [ 0.0001835000000000, -0.0005058600000000, 0.0002960800000000 ] - [ -0.0003574200000000, 0.0004568800000000, 0.0001150000000000 ] - [ -0.0003695300000000, -0.0005310200000000, 0.0001554100000000 ] - [ -0.0001093700000000, -0.0003317600000000, -0.0002912400000000 ] - [ 0.0004743500000000, 0.0001352500000000, 0.0006941300000000 ] - [ -0.0004814000000000, -0.0009554100000000, -0.0002527600000000 ] - [ -0.0002670500000000, -0.0006846700000000, -0.0003225200000000 ] - [ 0.0000893100000000, -0.0000491300000000, -0.0000656100000000 ] - [ 0.0005697300000000, -0.0013257800000000, 0.0011145800000000 ] - [ 0.0000737500000000, -0.0002695700000000, -0.0002308600000000 ] - [ -0.0003231400000000, -0.0005925400000000, 0.0006650300000000 ] - [ 0.0006482100000000, 0.0006890000000000, -0.0001991200000000 ] - [ 0.0032906900000000, 0.0052060800000000, -0.0024783800000000 ] - [ 0.0002670500000000, -0.0006846700000000, 0.0003225200000000 ] - [ 0.0003574200000000, 0.0004568800000000, -0.0001150000000000 ] - [ -0.0032906900000000, 0.0052060800000000, 0.0024783800000000 ] - [ 0.0003231400000000, -0.0005925400000000, -0.0006650300000000 ] - [ 0.0000394800000000, -0.0000578600000000, -0.0001477700000000 ] - [ -0.0000737500000000, -0.0002695700000000, 0.0002308600000000 ] - [ -0.0000719900000000, -0.0001199300000000, 0.0002297300000000 ] - [ -0.0052028600000000, 0.0051280600000000, 0.0045227000000000 ] - [ -0.0002301200000000, -0.0008767600000000, 0.0005089500000000 ] - [ -0.0001835000000000, -0.0005058600000000, -0.0002960800000000 ] - [ 0.0001093700000000, -0.0003317600000000, 0.0002912400000000 ] - [ 0.0004814000000000, -0.0009554100000000, 0.0002527600000000 ] - [ 0.0001414700000000, -0.0003219000000000, 0.0001420200000000 ] - [ 0.0003695300000000, -0.0005310200000000, -0.0001554100000000 ] - [ -0.0000076900000000, -0.0001675400000000, 0.0003152400000000 ] - [ 0.0000155600000000, -0.0001731800000000, -0.0004155800000000 ] - [ 0.0001742800000000, 0.0002796600000000, 0.0001831000000000 ] - [ -0.0001742800000000, 0.0002796600000000, -0.0001831000000000 ] - [ -0.0001414700000000, -0.0003219000000000, -0.0001420200000000 ] - [ 0.0000479500000000, 0.0009832700000000, 0.0000475500000000 ] - [ -0.0001309600000000, -0.0006668900000000, -0.0000587200000000 ] - [ -0.0003879300000000, 0.0006433200000000, 0.0000003700000000 ] - [ -0.0002264000000000, 0.0009129500000000, -0.0006583500000000 ] - [ 0.0000076900000000, -0.0001675400000000, -0.0003152400000000 ] - [ -0.0002588700000000, -0.0005951200000000, -0.0001746500000000 ] - [ -0.0015374700000000, 0.0012539300000000, 0.0017052200000000 ] - [ 0.0003109200000000, 0.0007683400000000, -0.0000395300000000 ] - [ 0.0015374700000000, 0.0012539300000000, -0.0017052200000000 ] - [ 0.0002588700000000, -0.0005951200000000, 0.0001746500000000 ] - [ -0.0004368600000000, 0.0004480000000000, 0.0000432700000000 ] - [ 0.0014036600000000, 0.0031971500000000, 0.0037101100000000 ] - [ 0.0018011500000000, -0.0045491500000000, 0.0027011800000000 ] - [ -0.0004190800000000, 0.0012713200000000, -0.0005295900000000 ] - [ 0.0001159400000000, -0.0003521900000000, -0.0000866600000000 ] - [ -0.0014036600000000, 0.0031971500000000, -0.0037101100000000 ] - [ -0.0001159400000000, -0.0003521900000000, 0.0000866600000000 ] - [ 0.0004190800000000, 0.0012713200000000, 0.0005295900000000 ] - [ -0.0018011500000000, -0.0045491500000000, -0.0027011800000000 ] - [ -0.0003109200000000, 0.0007683400000000, 0.0000395300000000 ] - [ 0.0004368600000000, 0.0004480000000000, -0.0000432700000000 ]- atom: 12 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0002909100000000, 0.0000000000000000 ] - [ 0.0010978000000000, 0.0011004400000000, 0.0000755900000000 ] - [ 0.0000000000000000, 0.0001351500000000, 0.0000000000000000 ] - [ -0.0003964200000000, -0.0001266800000000, -0.0000418000000000 ] - [ 0.0000000000000000, -0.0007400400000000, 0.0000000000000000 ] - [ 0.0003964200000000, -0.0001266800000000, 0.0000418000000000 ] - [ 0.0000000000000000, 0.0003248000000000, 0.0000000000000000 ] - [ -0.0010978000000000, 0.0011004400000000, -0.0000755900000000 ] - [ 0.0002399100000000, -0.0001285300000000, 0.0000772800000000 ] - [ 0.0000000000000000, 0.0002422000000000, 0.0000000000000000 ] - [ -0.0001672700000000, 0.0019211900000000, 0.0000266600000000 ] - [ 0.0000000000000000, 0.0344766400000000, 0.0000000000000000 ] - [ 0.0001672700000000, 0.0019211900000000, -0.0000266600000000 ] - [ 0.0006354500000000, -0.0000666000000000, 0.0001882000000000 ] - [ 0.0001481400000000, 0.0004815200000000, -0.0000625500000000 ] - [ 0.0000000000000000, -0.0003440500000000, 0.0000000000000000 ] - [ -0.0002399100000000, -0.0001285300000000, -0.0000772800000000 ] - [ -0.0001481400000000, 0.0004815200000000, 0.0000625500000000 ] - [ -0.0006354500000000, -0.0000666000000000, -0.0001882000000000 ] - [ 0.0000000000000000, 0.0007679300000000, 0.0000000000000000 ] - [ 0.0021783000000000, -0.0012639100000000, 0.0004848900000000 ] - [ 0.0000000000000000, -0.0076461000000000, 0.0000000000000000 ] - [ 0.0002842800000000, -0.0006105300000000, 0.0000083400000000 ] - [ 0.0000000000000000, -0.0001455500000000, 0.0000000000000000 ] - [ -0.0002842800000000, -0.0006105300000000, -0.0000083400000000 ] - [ 0.0008571000000000, -0.0003113200000000, 0.0001959500000000 ] - [ 0.0001469100000000, -0.0012246700000000, -0.0001311300000000 ] - [ 0.0000000000000000, -0.0003797600000000, 0.0000000000000000 ] - [ -0.0021783000000000, -0.0012639100000000, -0.0004848900000000 ] - [ -0.0001469100000000, -0.0012246700000000, 0.0001311300000000 ] - [ -0.0008571000000000, -0.0003113200000000, -0.0001959500000000 ] - [ 0.0000000000000000, -0.0004270400000000, 0.0000000000000000 ] - [ -0.0004400300000000, -0.0000015400000000, 0.0003888400000000 ] - [ 0.0008214700000000, -0.0011768500000000, -0.0005165300000000 ] - [ -0.0008214700000000, -0.0011768500000000, 0.0005165300000000 ] - [ 0.0004400300000000, -0.0000015400000000, -0.0003888400000000 ] - [ 0.0000535700000000, -0.0002914600000000, -0.0001221100000000 ] - [ 0.0000168400000000, -0.0002899800000000, -0.0000743900000000 ] - [ -0.0003832500000000, 0.0007259900000000, 0.0005145100000000 ] - [ 0.0000780200000000, -0.0002127300000000, -0.0000147000000000 ] - [ -0.0006214300000000, -0.0003209400000000, 0.0004924700000000 ] - [ 0.0004680700000000, 0.0002492400000000, -0.0003843900000000 ] - [ 0.0000031300000000, 0.0000750600000000, 0.0002998600000000 ] - [ 0.0001821600000000, 0.0003772500000000, -0.0000691800000000 ] - [ -0.0000168400000000, -0.0002899800000000, 0.0000743900000000 ] - [ 0.0000185300000000, 0.0005170600000000, -0.0000624700000000 ] - [ -0.0001821600000000, 0.0003772500000000, 0.0000691800000000 ] - [ -0.0004680700000000, 0.0002492400000000, 0.0003843900000000 ] - [ 0.0007011400000000, -0.0007322300000000, -0.0005792000000000 ] - [ 0.0006214300000000, -0.0003209400000000, -0.0004924700000000 ] - [ -0.0051972500000000, -0.0049308300000000, 0.0047115000000000 ] - [ 0.0000512100000000, 0.0002314300000000, -0.0001110500000000 ] - [ 0.0002389400000000, -0.0001013400000000, -0.0000705000000000 ] - [ 0.0000624400000000, -0.0009501500000000, -0.0004028900000000 ] - [ -0.0003386300000000, -0.0007930100000000, -0.0003184800000000 ] - [ -0.0000535700000000, -0.0002914600000000, 0.0001221100000000 ] - [ -0.0018979100000000, -0.0036439800000000, -0.0017245400000000 ] - [ -0.0000055700000000, -0.0005810300000000, -0.0004031000000000 ] - [ 0.0005093600000000, -0.0001479500000000, 0.0011412000000000 ] - [ 0.0005059000000000, 0.0009343200000000, 0.0007010300000000 ] - [ -0.0001178600000000, 0.0009930900000000, -0.0004801100000000 ] - [ 0.0001178600000000, 0.0009930900000000, 0.0004801100000000 ] - [ 0.0018979100000000, -0.0036439800000000, 0.0017245400000000 ] - [ -0.0001999600000000, 0.0005425400000000, 0.0001511200000000 ] - [ 0.0002059600000000, -0.0006071100000000, -0.0001121000000000 ] - [ -0.0000177400000000, 0.0005955600000000, 0.0002452400000000 ] - [ 0.0002205300000000, 0.0004550800000000, -0.0000505500000000 ] - [ -0.0005093600000000, -0.0001479500000000, -0.0011412000000000 ] - [ 0.0003760500000000, 0.0008372000000000, -0.0000853300000000 ] - [ 0.0002484500000000, 0.0006488800000000, -0.0001245400000000 ] - [ -0.0002389400000000, -0.0001013400000000, 0.0000705000000000 ] - [ -0.0005059000000000, 0.0009343200000000, -0.0007010300000000 ] - [ -0.0001958200000000, 0.0001598500000000, -0.0001106500000000 ] - [ 0.0001716600000000, 0.0007494300000000, -0.0006715900000000 ] - [ -0.0007011400000000, -0.0007322300000000, 0.0005792000000000 ] - [ -0.0032653100000000, -0.0051539300000000, 0.0025485400000000 ] - [ -0.0002484500000000, 0.0006488800000000, 0.0001245400000000 ] - [ -0.0002059600000000, -0.0006071100000000, 0.0001121000000000 ] - [ 0.0032653100000000, -0.0051539300000000, -0.0025485400000000 ] - [ -0.0001716600000000, 0.0007494300000000, 0.0006715900000000 ] - [ -0.0000031300000000, 0.0000750600000000, -0.0002998600000000 ] - [ 0.0001958200000000, 0.0001598500000000, 0.0001106500000000 ] - [ -0.0000512100000000, 0.0002314300000000, 0.0001110500000000 ] - [ 0.0051972500000000, -0.0049308300000000, -0.0047115000000000 ] - [ 0.0003832500000000, 0.0007259900000000, -0.0005145100000000 ] - [ 0.0001999600000000, 0.0005425400000000, -0.0001511200000000 ] - [ -0.0002205300000000, 0.0004550800000000, 0.0000505500000000 ] - [ -0.0003760500000000, 0.0008372000000000, 0.0000853300000000 ] - [ 0.0002442800000000, 0.0002587600000000, 0.0002584700000000 ] - [ 0.0000177400000000, 0.0005955600000000, -0.0002452400000000 ] - [ 0.0000441200000000, 0.0001504900000000, 0.0001322700000000 ] - [ -0.0000780200000000, -0.0002127300000000, 0.0000147000000000 ] - [ -0.0002393800000000, 0.0001084200000000, 0.0002151100000000 ] - [ 0.0002393800000000, 0.0001084200000000, -0.0002151100000000 ] - [ -0.0002442800000000, 0.0002587600000000, -0.0002584700000000 ] - [ -0.0000624400000000, -0.0009501500000000, 0.0004028900000000 ] - [ -0.0000185300000000, 0.0005170600000000, 0.0000624700000000 ] - [ 0.0000055700000000, -0.0005810300000000, 0.0004031000000000 ] - [ 0.0003386300000000, -0.0007930100000000, 0.0003184800000000 ] - [ -0.0000441200000000, 0.0001504900000000, -0.0001322700000000 ] - [ -0.0004891800000000, 0.0010018400000000, -0.0000902800000000 ] - [ 0.0019428700000000, -0.0020089100000000, -0.0019783500000000 ] - [ 0.0000960500000000, -0.0000194400000000, 0.0003060400000000 ] - [ -0.0019428700000000, -0.0020089100000000, 0.0019783500000000 ] - [ 0.0004891800000000, 0.0010018400000000, 0.0000902800000000 ] - [ -0.0003110900000000, -0.0008541100000000, 0.0002231800000000 ] - [ -0.0018314700000000, -0.0024564600000000, -0.0039622900000000 ] - [ -0.0010412100000000, 0.0041697200000000, -0.0029850000000000 ] - [ -0.0003362100000000, -0.0008688000000000, 0.0002677800000000 ] - [ 0.0002899100000000, -0.0003960000000000, -0.0001826000000000 ] - [ 0.0018314700000000, -0.0024564600000000, 0.0039622900000000 ] - [ -0.0002899100000000, -0.0003960000000000, 0.0001826000000000 ] - [ 0.0003362100000000, -0.0008688000000000, -0.0002677800000000 ] - [ 0.0010412100000000, 0.0041697200000000, 0.0029850000000000 ] - [ -0.0000960500000000, -0.0000194400000000, -0.0003060400000000 ] - [ 0.0003110900000000, -0.0008541100000000, -0.0002231800000000 ]- atom: 12 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000192300000000, -0.0003682000000000, 0.0001499400000000 ] - [ 0.0008111500000000, -0.0001321200000000, 0.0013106100000000 ] - [ -0.0000087300000000, 0.0003677600000000, 0.0004444000000000 ] - [ -0.0004188700000000, -0.0000056500000000, -0.0000089200000000 ] - [ 0.0000004900000000, -0.0003672600000000, -0.0005947100000000 ] - [ 0.0003158900000000, 0.0000064900000000, -0.0000094700000000 ] - [ -0.0000281700000000, 0.0003680900000000, -0.0002136000000000 ] - [ 0.0000636500000000, 0.0001287100000000, 0.0012942100000000 ] - [ 0.0000032900000000, 0.0000183200000000, 0.0007318700000000 ] - [ 0.0000135800000000, 0.0002459500000000, 0.0003619300000000 ] - [ -0.0020013300000000, 0.0006093300000000, 0.0015765200000000 ] - [ 0.0086640600000000, -0.0000500600000000, -0.0302349800000000 ] - [ -0.0025117600000000, -0.0006117400000000, 0.0015813400000000 ] - [ 0.0006270200000000, -0.0004962100000000, 0.0002357000000000 ] - [ 0.0002313900000000, -0.0000039000000000, 0.0000407200000000 ] - [ -0.0001202300000000, -0.0002450100000000, -0.0005115000000000 ] - [ 0.0000017200000000, -0.0000208100000000, 0.0005023800000000 ] - [ 0.0000346200000000, 0.0000030300000000, 0.0000377400000000 ] - [ 0.0006319300000000, 0.0004947100000000, 0.0004609900000000 ] - [ -0.0001345300000000, -0.0000989600000000, 0.0014806300000000 ] - [ -0.0005499000000000, 0.0001783600000000, -0.0018194300000000 ] - [ -0.0001077400000000, 0.0002597900000000, -0.0030661800000000 ] - [ 0.0000083900000000, 0.0000107500000000, 0.0000845800000000 ] - [ -0.0000403400000000, 0.0000987800000000, 0.0002497700000000 ] - [ -0.0004815100000000, -0.0000100500000000, 0.0000856800000000 ] - [ 0.0010361700000000, -0.0004978300000000, -0.0000055000000000 ] - [ 0.0001617200000000, 0.0001218200000000, 0.0000392800000000 ] - [ -0.0001959000000000, -0.0002438100000000, 0.0013535700000000 ] - [ -0.0005512900000000, -0.0001832500000000, -0.0020471900000000 ] - [ -0.0000347700000000, -0.0001203400000000, 0.0000390300000000 ] - [ 0.0010322100000000, 0.0004953700000000, 0.0002229800000000 ] - [ -0.0001598600000000, -0.0000974900000000, -0.0003787400000000 ] - [ -0.0004016200000000, 0.0000628700000000, 0.0004866800000000 ] - [ -0.0006190800000000, 0.0006704900000000, 0.0006417900000000 ] - [ -0.0006165400000000, -0.0006557500000000, 0.0006347600000000 ] - [ -0.0004023900000000, -0.0000618600000000, 0.0004853100000000 ] - [ -0.0001783300000000, -0.0000918900000000, -0.0005138800000000 ] - [ 0.0000035200000000, 0.0000548100000000, -0.0008748700000000 ] - [ 0.0004627400000000, -0.0007938300000000, -0.0000940100000000 ] - [ 0.0000512100000000, -0.0002342300000000, 0.0000437900000000 ] - [ 0.0004286900000000, -0.0002344300000000, -0.0011142700000000 ] - [ 0.0003397700000000, 0.0002731200000000, -0.0001540700000000 ] - [ -0.0000644600000000, -0.0000820600000000, 0.0001354400000000 ] - [ 0.0001830400000000, 0.0002267700000000, -0.0002942400000000 ] - [ 0.0000163900000000, -0.0000900100000000, -0.0004287300000000 ] - [ 0.0002715000000000, -0.0004097100000000, 0.0002832500000000 ] - [ 0.0000337600000000, -0.0000791700000000, -0.0002971700000000 ] - [ 0.0004950400000000, -0.0001257600000000, -0.0001569900000000 ] - [ 0.0008517200000000, 0.0005942800000000, 0.0001596000000000 ] - [ 0.0005553700000000, 0.0001256200000000, -0.0007753500000000 ] - [ -0.0060921200000000, -0.0047268700000000, 0.0069389100000000 ] - [ 0.0000620600000000, 0.0000032300000000, -0.0003204100000000 ] - [ 0.0002418000000000, -0.0000485700000000, -0.0001298700000000 ] - [ 0.0001386800000000, 0.0002985000000000, 0.0009035000000000 ] - [ -0.0001951700000000, 0.0005800900000000, 0.0009585100000000 ] - [ -0.0000637300000000, -0.0000320800000000, -0.0001751400000000 ] - [ 0.0033586200000000, 0.0024265800000000, 0.0049204400000000 ] - [ -0.0000436100000000, -0.0001514500000000, -0.0010878200000000 ] - [ -0.0003959300000000, -0.0005412300000000, -0.0007703800000000 ] - [ -0.0007948700000000, -0.0011748800000000, -0.0001211400000000 ] - [ -0.0002288400000000, 0.0008921500000000, -0.0006518200000000 ] - [ -0.0001661200000000, -0.0005067300000000, -0.0010557300000000 ] - [ 0.0028632300000000, -0.0024547000000000, 0.0044749500000000 ] - [ 0.0000701200000000, 0.0002036400000000, -0.0003085300000000 ] - [ -0.0000332400000000, -0.0003480300000000, -0.0007686900000000 ] - [ -0.0003697200000000, 0.0000489000000000, 0.0005938600000000 ] - [ -0.0000476400000000, -0.0000419100000000, -0.0005907500000000 ] - [ -0.0004311900000000, 0.0005164600000000, -0.0012147700000000 ] - [ -0.0002860700000000, -0.0002144100000000, 0.0004044000000000 ] - [ 0.0001156800000000, 0.0000279300000000, 0.0003596000000000 ] - [ 0.0000945700000000, -0.0001021600000000, -0.0001249700000000 ] - [ -0.0007294700000000, 0.0007859100000000, 0.0002775000000000 ] - [ -0.0000333700000000, -0.0002174200000000, -0.0000406700000000 ] - [ 0.0002213700000000, 0.0008285700000000, -0.0008931700000000 ] - [ 0.0007928800000000, -0.0006369200000000, 0.0005327700000000 ] - [ -0.0009002600000000, -0.0017866900000000, 0.0020832800000000 ] - [ 0.0001329900000000, -0.0000639700000000, 0.0008064700000000 ] - [ 0.0001201300000000, 0.0002002300000000, -0.0007708600000000 ] - [ -0.0010213800000000, 0.0018999800000000, 0.0020699700000000 ] - [ 0.0003712300000000, -0.0006766600000000, -0.0008868800000000 ] - [ -0.0000282300000000, 0.0000989600000000, -0.0003120300000000 ] - [ 0.0000893900000000, 0.0001054800000000, 0.0002984100000000 ] - [ -0.0000619700000000, 0.0001089800000000, 0.0000199600000000 ] - [ -0.0061523200000000, 0.0050184500000000, 0.0067493200000000 ] - [ 0.0006175800000000, 0.0006435200000000, -0.0000933300000000 ] - [ 0.0000852600000000, -0.0001689700000000, -0.0007556400000000 ] - [ -0.0001591100000000, 0.0001645300000000, -0.0002515200000000 ] - [ -0.0001745400000000, 0.0000914800000000, 0.0007454900000000 ] - [ 0.0001192900000000, -0.0001108100000000, -0.0000526800000000 ] - [ 0.0000185700000000, 0.0000137400000000, 0.0001922200000000 ] - [ -0.0000556300000000, -0.0001703600000000, 0.0003221900000000 ] - [ -0.0000097700000000, -0.0001532100000000, -0.0003592000000000 ] - [ -0.0000587700000000, 0.0003061500000000, 0.0001656500000000 ] - [ 0.0000048200000000, 0.0000832800000000, -0.0002327300000000 ] - [ -0.0002682100000000, 0.0000471600000000, -0.0004537400000000 ] - [ 0.0001237800000000, -0.0002593600000000, 0.0013507200000000 ] - [ 0.0001220300000000, 0.0002602800000000, 0.0002868900000000 ] - [ -0.0004268200000000, 0.0002155300000000, -0.0006834100000000 ] - [ -0.0000831200000000, -0.0004581800000000, 0.0006175600000000 ] - [ -0.0000924900000000, 0.0001531100000000, -0.0001238500000000 ] - [ -0.0001252400000000, 0.0007484400000000, 0.0008145400000000 ] - [ -0.0018256600000000, 0.0015001900000000, 0.0022466700000000 ] - [ 0.0001038600000000, 0.0001164800000000, 0.0002986100000000 ] - [ -0.0022342100000000, -0.0022580100000000, 0.0025231800000000 ] - [ 0.0006148700000000, -0.0003380800000000, 0.0010811400000000 ] - [ -0.0002564800000000, -0.0001988200000000, 0.0007438400000000 ] - [ 0.0018121500000000, 0.0042741600000000, 0.0033992200000000 ] - [ 0.0009329100000000, 0.0029973500000000, -0.0042157000000000 ] - [ -0.0001109900000000, 0.0001346700000000, -0.0010147200000000 ] - [ 0.0001136600000000, -0.0002249600000000, -0.0000111300000000 ] - [ 0.0022286700000000, -0.0035058300000000, 0.0036607600000000 ] - [ -0.0002906200000000, -0.0005218600000000, 0.0002594600000000 ] - [ 0.0006380500000000, 0.0002719200000000, -0.0007484600000000 ] - [ 0.0001677200000000, -0.0034042700000000, -0.0039517700000000 ] - [ -0.0003022300000000, 0.0006331900000000, 0.0000341900000000 ] - [ 0.0004897000000000, -0.0002056400000000, 0.0004766300000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000687300000000, -0.0002650400000000, -0.0000845100000000 ] - [ 0.0003810400000000, 0.0000990100000000, 0.0002228200000000 ] - [ -0.0000689600000000, 0.0004705000000000, 0.0000851900000000 ] - [ -0.0003541200000000, 0.0000996900000000, -0.0002221700000000 ] - [ 0.0000172500000000, -0.0005836300000000, -0.0003342500000000 ] - [ 0.0006589800000000, 0.0003078300000000, 0.0000713100000000 ] - [ 0.0000177900000000, 0.0001527000000000, 0.0003339200000000 ] - [ -0.0000768600000000, 0.0003067100000000, -0.0000717300000000 ] - [ -0.0004846900000000, 0.0005718900000000, 0.0001136600000000 ] - [ 0.0037801500000000, 0.0001549800000000, -0.0033620100000000 ] - [ -0.0024243300000000, -0.0000097400000000, -0.0008601300000000 ] - [ 0.0003350500000000, 0.0005368700000000, -0.0004013000000000 ] - [ 0.0000351400000000, -0.0000181200000000, 0.0000396400000000 ] - [ 0.0018064600000000, 0.0001456600000000, -0.0001134900000000 ] - [ 0.0012782800000000, -0.0024413400000000, 0.0006624900000000 ] - [ -0.0000032800000000, -0.0003034700000000, 0.0000517900000000 ] - [ 0.0002632100000000, 0.0000960400000000, -0.0001144900000000 ] - [ -0.0000967600000000, -0.0000655600000000, 0.0000621900000000 ] - [ -0.0006348000000000, -0.0001378500000000, 0.0001152900000000 ] - [ 0.0012544000000000, 0.0007231400000000, 0.0006186200000000 ] - [ 0.0009511800000000, 0.0001522400000000, 0.0001137800000000 ] - [ -0.0000031800000000, 0.0001883200000000, -0.0000520800000000 ] - [ 0.0005263800000000, -0.0000171100000000, -0.0000397700000000 ] - [ 0.0012497200000000, 0.0009191800000000, -0.0006173100000000 ] - [ -0.0029169400000000, -0.0000162000000000, 0.0008537200000000 ] - [ -0.0004387600000000, 0.0003544700000000, -0.0001132900000000 ] - [ 0.0000989500000000, -0.0000657700000000, -0.0000625700000000 ] - [ 0.0037393000000000, -0.0003341500000000, 0.0033382900000000 ] - [ -0.0013586300000000, -0.0002650100000000, -0.0001139600000000 ] - [ 0.0010811500000000, -0.0024451500000000, -0.0006651300000000 ] - [ 0.0003685700000000, 0.0000191200000000, 0.0001141200000000 ] - [ 0.0003352300000000, 0.0003423300000000, 0.0004027700000000 ] - [ -0.0768759600000000, 0.0000080600000000, -0.0003502800000000 ] - [ -0.0003789900000000, -0.0000174800000000, -0.0000005000000000 ] - [ 0.0001782000000000, 0.0000003100000000, 0.0000002300000000 ] - [ 0.0004705400000000, -0.0000173100000000, 0.0000004400000000 ] - [ 0.0011418800000000, 0.0008679200000000, 0.0000843500000000 ] - [ -0.0002344100000000, 0.0000629300000000, -0.0001784200000000 ] - [ 0.0001820700000000, -0.0000419000000000, 0.0001367800000000 ] - [ 0.0000156600000000, -0.0003455600000000, 0.0001625200000000 ] - [ -0.0001289800000000, -0.0004404200000000, 0.0001320800000000 ] - [ -0.0001485200000000, 0.0000377100000000, 0.0000184900000000 ] - [ -0.0000798900000000, 0.0000995400000000, 0.0007864000000000 ] - [ 0.0125831000000000, 0.0152766400000000, -0.0057820800000000 ] - [ 0.0013282900000000, 0.0000131400000000, 0.0008141800000000 ] - [ 0.0004632800000000, -0.0001313500000000, -0.0000416300000000 ] - [ -0.0007372300000000, -0.0000426700000000, 0.0000031700000000 ] - [ 0.0003270700000000, 0.0001068300000000, -0.0001308000000000 ] - [ -0.0000280500000000, -0.0000727800000000, -0.0002580900000000 ] - [ -0.0000943400000000, -0.0001963000000000, 0.0000305800000000 ] - [ 0.0000494800000000, -0.0013757000000000, 0.0018266300000000 ] - [ -0.0000034600000000, -0.0003250100000000, -0.0004668100000000 ] - [ 0.0234974400000000, -0.0179306400000000, 0.0096178200000000 ] - [ 0.0010359800000000, 0.0004423900000000, -0.0007841100000000 ] - [ 0.0000888500000000, 0.0002405200000000, -0.0000536700000000 ] - [ -0.0010342600000000, 0.0004383800000000, 0.0005499300000000 ] - [ 0.0006602800000000, -0.0001458700000000, 0.0001537500000000 ] - [ 0.0008142200000000, -0.0011898300000000, -0.0011469100000000 ] - [ -0.0000445800000000, 0.0000842800000000, -0.0003372000000000 ] - [ 0.0000232200000000, -0.0000834100000000, -0.0001990900000000 ] - [ -0.0000475300000000, 0.0000398400000000, 0.0002371600000000 ] - [ -0.0000121200000000, 0.0002774900000000, -0.0004949700000000 ] - [ -0.0007733100000000, -0.0000892800000000, -0.0000369700000000 ] - [ 0.0013104300000000, 0.0000461500000000, -0.0003639300000000 ] - [ 0.0124119900000000, 0.0147959500000000, 0.0056512200000000 ] - [ 0.0002750200000000, -0.0000830100000000, 0.0002461400000000 ] - [ 0.0012515100000000, 0.0009888900000000, -0.0004190800000000 ] - [ -0.0015110000000000, -0.0009604400000000, -0.0001416500000000 ] - [ -0.0005474000000000, 0.0000876600000000, 0.0002295000000000 ] - [ 0.0010189500000000, 0.0004042500000000, 0.0003325400000000 ] - [ -0.0003838200000000, 0.0001308900000000, 0.0002785600000000 ] - [ -0.0018622700000000, -0.0004201400000000, 0.0015639800000000 ] - [ -0.0003370500000000, -0.0000786100000000, -0.0000734600000000 ] - [ 0.0224451000000000, -0.0170446600000000, -0.0091302700000000 ] - [ -0.0001247300000000, -0.0000516700000000, 0.0002389900000000 ] - [ -0.0002049000000000, 0.0000329400000000, 0.0000142800000000 ] - [ -0.0003652600000000, 0.0001045300000000, 0.0002667400000000 ] - [ -0.0005864100000000, -0.0001870000000000, -0.0000081500000000 ] - [ 0.0003133800000000, 0.0000147700000000, 0.0000364900000000 ] - [ -0.0002366900000000, 0.0002798600000000, -0.0002723300000000 ] - [ -0.0014826200000000, -0.0009448100000000, -0.0003086200000000 ] - [ 0.0001731900000000, -0.0014915800000000, -0.0014920700000000 ] - [ -0.0002189300000000, -0.0000809600000000, 0.0003042600000000 ] - [ -0.0002119300000000, 0.0000357400000000, -0.0002632000000000 ] - [ -0.0000036400000000, -0.0001116600000000, -0.0000236500000000 ] - [ -0.0002192200000000, 0.0000976700000000, -0.0002700100000000 ] - [ -0.0011481600000000, 0.0005635800000000, -0.0002162300000000 ] - [ 0.0002022500000000, 0.0001150700000000, 0.0003897900000000 ] - [ -0.0004616500000000, -0.0001360600000000, 0.0003858400000000 ] - [ -0.0003885900000000, -0.0000273400000000, -0.0003640100000000 ] - [ -0.0000895500000000, -0.0000681700000000, 0.0002096900000000 ] - [ -0.0000752400000000, -0.0001086100000000, 0.0000940600000000 ] - [ -0.0019229100000000, -0.0000332500000000, -0.0011590000000000 ] - [ 0.0000864300000000, 0.0003025300000000, -0.0002012200000000 ] - [ 0.0004283300000000, -0.0012502400000000, 0.0007425300000000 ] - [ -0.0003810300000000, 0.0001399300000000, 0.0001812300000000 ] - [ -0.0003542400000000, -0.0001130600000000, -0.0000091000000000 ] - [ -0.0008469000000000, -0.0000716100000000, 0.0000155900000000 ] - [ -0.0004320400000000, 0.0002130600000000, -0.0005642700000000 ] - [ -0.0000631500000000, -0.0000894600000000, -0.0001904800000000 ] - [ -0.0061839100000000, 0.0012898500000000, 0.0019729100000000 ] - [ 0.0004857100000000, -0.0001737300000000, -0.0003248500000000 ] - [ 0.0002583900000000, 0.0005239900000000, 0.0001428600000000 ] - [ -0.0001482600000000, -0.0002208100000000, 0.0001255000000000 ] - [ 0.0013429400000000, -0.0004161100000000, -0.0003669600000000 ] - [ 0.0005994900000000, -0.0008241400000000, 0.0006366600000000 ] - [ 0.0000546100000000, 0.0000888500000000, 0.0001064500000000 ] - [ 0.0010012800000000, -0.0000554400000000, -0.0001436000000000 ] - [ 0.0002578800000000, 0.0003524000000000, -0.0001242100000000 ] - [ 0.0004624200000000, -0.0006543900000000, -0.0003761000000000 ] - [ 0.0063465700000000, 0.0053869600000000, -0.0045987600000000 ] - [ 0.0059835900000000, 0.0046346500000000, 0.0048885900000000 ] - [ -0.0006510200000000, -0.0000973300000000, -0.0001884800000000 ] - [ -0.0013961800000000, -0.0005056500000000, 0.0004583200000000 ] - [ 0.0000762200000000, 0.0005704000000000, 0.0000541000000000 ] - [ -0.0054330800000000, 0.0008763400000000, -0.0022375600000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001644200000000, -0.0003079300000000, -0.0000682300000000 ] - [ 0.0003642500000000, 0.0000189100000000, 0.0002719300000000 ] - [ 0.0001644200000000, 0.0003079300000000, -0.0000682300000000 ] - [ -0.0003642500000000, -0.0000189100000000, 0.0002719300000000 ] - [ -0.0000201000000000, -0.0003710900000000, 0.0002712300000000 ] - [ 0.0004272400000000, 0.0001646200000000, -0.0000686600000000 ] - [ 0.0000201000000000, 0.0003710900000000, 0.0002712300000000 ] - [ -0.0004272400000000, -0.0001646200000000, -0.0000686600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001026200000000 ] - [ -0.0023228600000000, 0.0012322700000000, -0.0014891500000000 ] - [ -0.0007381100000000, -0.0023315000000000, -0.0014946900000000 ] - [ -0.0002491600000000, -0.0002913400000000, 0.0004870000000000 ] - [ -0.0002134800000000, -0.0000646900000000, 0.0000949800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001252000000000 ] - [ 0.0006161300000000, -0.0016762500000000, 0.0006388100000000 ] - [ -0.0000642900000000, -0.0002773800000000, 0.0000949800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002298900000000 ] - [ -0.0004850400000000, 0.0002480100000000, 0.0004846100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017102200000000 ] - [ 0.0016797600000000, 0.0004206100000000, 0.0006384900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005130700000000 ] - [ 0.0000642900000000, 0.0002773800000000, 0.0000949800000000 ] - [ 0.0002134800000000, 0.0000646900000000, 0.0000949800000000 ] - [ -0.0016797600000000, -0.0004206100000000, 0.0006384900000000 ] - [ 0.0007381100000000, 0.0023315000000000, -0.0014946900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002859100000000 ] - [ 0.0004850400000000, -0.0002480100000000, 0.0004846100000000 ] - [ 0.0023228600000000, -0.0012322700000000, -0.0014891500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014915400000000 ] - [ -0.0006161300000000, 0.0016762500000000, 0.0006388100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000005300000000 ] - [ 0.0002491600000000, 0.0002913400000000, 0.0004870000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0195535500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001851600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001872800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0001840600000000 ] - [ 0.0011602800000000, -0.0009776200000000, -0.0013037700000000 ] - [ 0.0000806400000000, 0.0000721000000000, -0.0000338200000000 ] - [ -0.0001458000000000, -0.0002740500000000, 0.0002786100000000 ] - [ 0.0002149100000000, -0.0001774500000000, 0.0000350400000000 ] - [ -0.0004692300000000, -0.0005747800000000, 0.0005051100000000 ] - [ 0.0000855900000000, 0.0000696700000000, -0.0001472700000000 ] - [ 0.0003509600000000, -0.0001180100000000, -0.0001841600000000 ] - [ -0.0042170000000000, -0.0048005200000000, 0.0033587700000000 ] - [ 0.0008444200000000, -0.0002826800000000, 0.0008848100000000 ] - [ 0.0001117800000000, -0.0002902900000000, -0.0000200600000000 ] - [ 0.0001231300000000, 0.0000009500000000, 0.0002741400000000 ] - [ 0.0001458000000000, 0.0002740500000000, 0.0002786100000000 ] - [ -0.0000776200000000, 0.0000213800000000, -0.0004749300000000 ] - [ -0.0001424300000000, -0.0002058300000000, -0.0000798800000000 ] - [ 0.0008664700000000, 0.0012762400000000, -0.0009695800000000 ] - [ 0.0004692300000000, 0.0005747800000000, 0.0005051100000000 ] - [ 0.0049902600000000, -0.0043844200000000, 0.0033030800000000 ] - [ 0.0001342000000000, 0.0003881000000000, -0.0006338200000000 ] - [ -0.0000987800000000, 0.0002069900000000, -0.0001262500000000 ] - [ -0.0004644900000000, 0.0003457800000000, 0.0008426000000000 ] - [ 0.0002018300000000, 0.0000079100000000, -0.0002436700000000 ] - [ 0.0002279100000000, -0.0005620000000000, -0.0007037400000000 ] - [ -0.0003509600000000, 0.0001180100000000, -0.0001841600000000 ] - [ -0.0000713800000000, -0.0001828300000000, -0.0006448800000000 ] - [ -0.0002149100000000, 0.0001774500000000, 0.0000350400000000 ] - [ -0.0002365000000000, 0.0000759200000000, 0.0000490200000000 ] - [ -0.0002064900000000, 0.0001504900000000, -0.0003661400000000 ] - [ -0.0008444200000000, 0.0002826800000000, 0.0008848100000000 ] - [ 0.0042170000000000, 0.0048005200000000, 0.0033587700000000 ] - [ -0.0002018300000000, -0.0000079100000000, -0.0002436700000000 ] - [ -0.0011602800000000, 0.0009776200000000, -0.0013037700000000 ] - [ 0.0002473600000000, 0.0008252000000000, 0.0004370400000000 ] - [ 0.0000930100000000, -0.0002662400000000, -0.0004166500000000 ] - [ -0.0001342000000000, -0.0003881000000000, -0.0006338200000000 ] - [ 0.0001415100000000, -0.0000402900000000, -0.0000166300000000 ] - [ 0.0006210100000000, -0.0001599700000000, -0.0002949900000000 ] - [ 0.0000818900000000, -0.0000133200000000, -0.0004641500000000 ] - [ -0.0049902600000000, 0.0043844200000000, 0.0033030800000000 ] - [ -0.0001070500000000, 0.0000984300000000, 0.0004150400000000 ] - [ 0.0000817900000000, 0.0002331800000000, -0.0001428200000000 ] - [ -0.0000034300000000, -0.0001127900000000, -0.0000256700000000 ] - [ -0.0001231300000000, -0.0000009500000000, 0.0002741400000000 ] - [ -0.0001117800000000, 0.0002902900000000, -0.0000200600000000 ] - [ -0.0001415100000000, 0.0000402900000000, -0.0000166300000000 ] - [ -0.0002473600000000, -0.0008252000000000, 0.0004370400000000 ] - [ -0.0008664700000000, -0.0012762400000000, -0.0009695800000000 ] - [ 0.0001424300000000, 0.0002058300000000, -0.0000798800000000 ] - [ -0.0000818900000000, 0.0000133200000000, -0.0004641500000000 ] - [ -0.0000855900000000, -0.0000696700000000, -0.0001472700000000 ] - [ -0.0000806400000000, -0.0000721000000000, -0.0000338200000000 ] - [ 0.0004644900000000, -0.0003457800000000, 0.0008426000000000 ] - [ 0.0000987800000000, -0.0002069900000000, -0.0001262500000000 ] - [ 0.0003100000000000, -0.0003012300000000, 0.0004508500000000 ] - [ 0.0002064900000000, -0.0001504900000000, -0.0003661400000000 ] - [ 0.0001070500000000, -0.0000984300000000, 0.0004150400000000 ] - [ 0.0002365000000000, -0.0000759200000000, 0.0000490200000000 ] - [ -0.0006210100000000, 0.0001599700000000, -0.0002949900000000 ] - [ 0.0000713800000000, 0.0001828300000000, -0.0006448800000000 ] - [ -0.0002279100000000, 0.0005620000000000, -0.0007037400000000 ] - [ 0.0000034300000000, 0.0001127900000000, -0.0000256700000000 ] - [ -0.0000817900000000, -0.0002331800000000, -0.0001428200000000 ] - [ -0.0003100000000000, 0.0003012300000000, 0.0004508500000000 ] - [ -0.0000930100000000, 0.0002662400000000, -0.0004166500000000 ] - [ 0.0000776200000000, -0.0000213800000000, -0.0004749300000000 ] - [ -0.0028801200000000, 0.0042708400000000, 0.0021013900000000 ] - [ 0.0008008900000000, -0.0001859300000000, -0.0007911100000000 ] - [ 0.0000868800000000, 0.0003301300000000, 0.0004144900000000 ] - [ -0.0000868800000000, -0.0003301300000000, 0.0004144900000000 ] - [ 0.0005610900000000, -0.0003966800000000, -0.0005239200000000 ] - [ -0.0005610900000000, 0.0003966800000000, -0.0005239200000000 ] - [ 0.0001393500000000, 0.0001816900000000, 0.0003093000000000 ] - [ 0.0004153400000000, -0.0003200100000000, 0.0001465300000000 ] - [ -0.0004153400000000, 0.0003200100000000, 0.0001465300000000 ] - [ -0.0001393500000000, -0.0001816900000000, 0.0003093000000000 ] - [ -0.0038831000000000, -0.0021141700000000, 0.0023572300000000 ] - [ 0.0038831000000000, 0.0021141700000000, 0.0023572300000000 ] - [ 0.0005638600000000, 0.0005469900000000, 0.0005774100000000 ] - [ -0.0005638600000000, -0.0005469900000000, 0.0005774100000000 ] - [ -0.0008008900000000, 0.0001859300000000, -0.0007911100000000 ] - [ 0.0028801200000000, -0.0042708400000000, 0.0021013900000000 ]- atom: 37 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001323100000000, -0.0003413600000000, -0.0001693900000000 ] - [ 0.0000394900000000, -0.0000638600000000, -0.0006307700000000 ] - [ -0.0001242600000000, 0.0002658900000000, 0.0000719500000000 ] - [ 0.0000223000000000, -0.0002207000000000, 0.0001262200000000 ] - [ -0.0000683700000000, -0.0002439400000000, -0.0000794200000000 ] - [ 0.0001739700000000, -0.0002400300000000, -0.0000890400000000 ] - [ 0.0000001300000000, 0.0006662000000000, 0.0002068300000000 ] - [ -0.0005175800000000, -0.0000770100000000, 0.0000395500000000 ] - [ 0.0008358200000000, -0.0008165900000000, 0.0006494300000000 ] - [ 0.0078056700000000, 0.0058471500000000, 0.0046402100000000 ] - [ 0.0010297100000000, -0.0004807900000000, 0.0008883900000000 ] - [ -0.0002652100000000, -0.0000111100000000, -0.0001208300000000 ] - [ -0.0011221300000000, 0.0002042500000000, 0.0001517800000000 ] - [ -0.0006162900000000, -0.0000291200000000, -0.0002623000000000 ] - [ 0.0003656100000000, 0.0002057100000000, -0.0001783500000000 ] - [ 0.0000972200000000, -0.0001713900000000, 0.0001911000000000 ] - [ -0.0003248600000000, 0.0001200900000000, -0.0001664700000000 ] - [ 0.0049620400000000, -0.0037395800000000, -0.0049450300000000 ] - [ 0.0074038800000000, -0.0060846100000000, 0.0054661400000000 ] - [ -0.0018481800000000, -0.0003797700000000, 0.0001394200000000 ] - [ -0.0004026600000000, 0.0000401200000000, 0.0002520000000000 ] - [ -0.0001441600000000, 0.0001952600000000, -0.0000824700000000 ] - [ -0.0001151200000000, -0.0001308100000000, 0.0000469900000000 ] - [ 0.0002448800000000, -0.0003327700000000, -0.0002315700000000 ] - [ -0.0000160300000000, 0.0000156700000000, 0.0000950700000000 ] - [ 0.0007109400000000, -0.0004905600000000, -0.0007051000000000 ] - [ -0.0001163800000000, -0.0000041200000000, -0.0001615100000000 ] - [ -0.0009572900000000, 0.0004063400000000, -0.0000158800000000 ] - [ 0.0005612000000000, 0.0001218800000000, -0.0001892700000000 ] - [ -0.0002739100000000, 0.0000943200000000, 0.0000525300000000 ] - [ -0.0001872900000000, -0.0000030800000000, 0.0000950000000000 ] - [ 0.0002025700000000, -0.0002634200000000, 0.0001040600000000 ] - [ 0.0011938500000000, 0.0014337200000000, 0.0012203800000000 ] - [ 0.0001459400000000, -0.0000222400000000, 0.0000433700000000 ] - [ -0.0004895100000000, 0.0001392000000000, 0.0001501800000000 ] - [ -0.0010897100000000, -0.0003825400000000, -0.0005196400000000 ] - [ -0.0642797300000000, -0.0329007200000000, 0.0290867100000000 ] - [ 0.0009414700000000, -0.0003636500000000, 0.0001513500000000 ] - [ -0.0000678700000000, 0.0000347400000000, -0.0000989100000000 ] - [ -0.0002635300000000, -0.0007234700000000, 0.0004354800000000 ] - [ 0.0001111300000000, 0.0002820300000000, -0.0005192900000000 ] - [ 0.0005965200000000, -0.0007777100000000, -0.0002436800000000 ] - [ -0.0003670600000000, 0.0017888200000000, -0.0005958300000000 ] - [ -0.0005847900000000, -0.0000057100000000, -0.0000171800000000 ] - [ -0.0015250400000000, -0.0004787600000000, 0.0007375400000000 ] - [ -0.0000572700000000, -0.0000927700000000, -0.0000111300000000 ] - [ 0.0006290700000000, 0.0006791500000000, 0.0000735900000000 ] - [ -0.0001572200000000, 0.0001461100000000, -0.0000676100000000 ] - [ 0.0002364800000000, 0.0001891100000000, -0.0000497100000000 ] - [ 0.0006081600000000, -0.0000303000000000, 0.0002724900000000 ] - [ -0.0000050700000000, -0.0000228800000000, -0.0001228500000000 ] - [ -0.0002384500000000, 0.0001109000000000, -0.0002504700000000 ] - [ -0.0008804100000000, -0.0003048300000000, 0.0002508200000000 ] - [ -0.0003905800000000, -0.0001038100000000, -0.0002829200000000 ] - [ -0.0009606300000000, -0.0001448300000000, -0.0002755000000000 ] - [ 0.0009198900000000, -0.0004911500000000, 0.0006957800000000 ] - [ -0.0000755700000000, 0.0001506400000000, 0.0007021800000000 ] - [ 0.0025583900000000, 0.0040876300000000, -0.0011164000000000 ] - [ 0.0010060000000000, -0.0006403400000000, 0.0009593200000000 ] - [ 0.0004515300000000, -0.0003660100000000, 0.0001577200000000 ] - [ 0.0004381100000000, 0.0009549700000000, 0.0005249400000000 ] - [ 0.0002114400000000, 0.0002312300000000, -0.0001892800000000 ] - [ 0.0000800100000000, 0.0000061200000000, -0.0003462800000000 ] - [ -0.0001565400000000, 0.0000460100000000, 0.0001604100000000 ] - [ 0.0028973600000000, 0.0004170400000000, -0.0049184600000000 ] - [ -0.0005280900000000, -0.0002364900000000, 0.0004003300000000 ] - [ 0.0000447400000000, -0.0004402900000000, -0.0003355700000000 ] - [ 0.0008664700000000, -0.0002693000000000, -0.0006662200000000 ] - [ 0.0001059000000000, -0.0000215900000000, -0.0002048000000000 ] - [ -0.0001801900000000, -0.0000481800000000, -0.0002491000000000 ] - [ 0.0023401300000000, 0.0012600900000000, -0.0007580200000000 ] - [ 0.0002488600000000, -0.0002763300000000, 0.0000853500000000 ] - [ 0.0000857900000000, 0.0002825400000000, -0.0005042800000000 ] - [ 0.0001834200000000, -0.0003594200000000, -0.0003371900000000 ] - [ 0.0001559700000000, -0.0000016600000000, 0.0001679400000000 ] - [ 0.0003642600000000, 0.0000446100000000, -0.0000959700000000 ] - [ 0.0002935700000000, -0.0000299600000000, 0.0003053900000000 ] - [ 0.0007667800000000, -0.0001514700000000, 0.0001495100000000 ] - [ -0.0002857700000000, 0.0001764500000000, -0.0000784900000000 ] - [ 0.0008256000000000, -0.0001480600000000, -0.0000141000000000 ] - [ 0.0002318200000000, 0.0008379900000000, 0.0012748100000000 ] - [ -0.0002387000000000, 0.0000219500000000, 0.0002760900000000 ] - [ -0.0000402700000000, 0.0000303100000000, 0.0002221600000000 ] - [ 0.0006198600000000, 0.0001102000000000, 0.0000813900000000 ] - [ 0.0004164300000000, 0.0000039900000000, 0.0000944100000000 ] - [ 0.0003484100000000, 0.0001069500000000, -0.0003205400000000 ] - [ 0.0002958000000000, -0.0000285700000000, 0.0002150500000000 ] - [ -0.0000312400000000, -0.0000127500000000, 0.0002348000000000 ] - [ 0.0003974600000000, 0.0000900300000000, 0.0002346500000000 ] - [ 0.0004099100000000, 0.0001035200000000, -0.0001023800000000 ] - [ -0.0000223800000000, 0.0000043600000000, 0.0002148000000000 ] - [ -0.0002116900000000, -0.0001728500000000, -0.0001701300000000 ] - [ -0.0001116900000000, 0.0000737200000000, 0.0001769500000000 ] - [ -0.0002899400000000, 0.0008863200000000, -0.0018577500000000 ] - [ -0.0006082000000000, 0.0000673100000000, 0.0000139200000000 ] - [ 0.0005607900000000, -0.0000131500000000, -0.0002589700000000 ] - [ 0.0001204700000000, -0.0001655300000000, -0.0000840100000000 ] - [ 0.0003459600000000, -0.0000652300000000, 0.0003255800000000 ] - [ 0.0001456200000000, -0.0000005200000000, -0.0002557200000000 ] - [ -0.0002349100000000, -0.0000674800000000, -0.0003105300000000 ] - [ 0.0360209500000000, 0.0316171500000000, -0.0297180600000000 ] - [ -0.0002664400000000, -0.0006534500000000, 0.0001480800000000 ] - [ 0.0003331500000000, 0.0006714600000000, 0.0001210400000000 ] - [ -0.0009454700000000, -0.0005460100000000, -0.0001207400000000 ] - [ -0.0007981500000000, 0.0003141600000000, -0.0000244200000000 ] - [ -0.0010168500000000, -0.0004233300000000, -0.0001500400000000 ] - [ -0.0010962500000000, 0.0011408300000000, -0.0008830800000000 ] - [ -0.0000780800000000, 0.0000100900000000, 0.0001665100000000 ] - [ -0.0007209800000000, 0.0001095000000000, -0.0001433300000000 ] - [ 0.0000777800000000, -0.0014279100000000, 0.0008772400000000 ] - [ -0.0001588500000000, 0.0007082700000000, 0.0007083500000000 ] - [ 0.0002476100000000, 0.0000389000000000, -0.0001619400000000 ] - [ 0.0005308100000000, 0.0002106800000000, 0.0001087700000000 ] - [ 0.0004777400000000, -0.0007475000000000, 0.0000943800000000 ] - [ 0.0000743900000000, 0.0003758200000000, -0.0001343700000000 ] - [ 0.0010033100000000, 0.0001059100000000, 0.0000558700000000 ]- atom: 37 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001282500000000, -0.0003932100000000, 0.0001672700000000 ] - [ 0.0006947900000000, 0.0000624200000000, 0.0006323100000000 ] - [ 0.0001239200000000, 0.0004689600000000, -0.0000716300000000 ] - [ -0.0007535300000000, 0.0002176200000000, -0.0001258900000000 ] - [ 0.0000678500000000, -0.0004900200000000, 0.0000776200000000 ] - [ 0.0005600600000000, 0.0002390200000000, 0.0000882800000000 ] - [ -0.0000006700000000, 0.0000721200000000, -0.0002062700000000 ] - [ -0.0002177200000000, 0.0000777600000000, -0.0000395200000000 ] - [ -0.0008413300000000, 0.0008122800000000, -0.0004255000000000 ] - [ -0.0076644700000000, -0.0051573400000000, -0.0044756800000000 ] - [ -0.0005460500000000, 0.0004866600000000, -0.0008845100000000 ] - [ 0.0002641500000000, 0.0002082300000000, 0.0001212900000000 ] - [ 0.0006300600000000, -0.0002051000000000, -0.0001515300000000 ] - [ 0.0006145300000000, 0.0000292900000000, 0.0000328000000000 ] - [ -0.0001642000000000, -0.0002024900000000, 0.0001814300000000 ] - [ -0.0000966300000000, -0.0003191600000000, -0.0001898000000000 ] - [ 0.0003254400000000, -0.0001198400000000, -0.0000627500000000 ] - [ -0.0050962600000000, 0.0036323200000000, 0.0047989500000000 ] - [ -0.0074409400000000, 0.0062130200000000, -0.0053581800000000 ] - [ 0.0018496600000000, 0.0001856200000000, -0.0001388700000000 ] - [ 0.0004022400000000, -0.0000403200000000, -0.0000229400000000 ] - [ 0.0001443000000000, 0.0002954700000000, 0.0000828800000000 ] - [ 0.0006046100000000, 0.0001294600000000, -0.0000473900000000 ] - [ -0.0002440800000000, 0.0005246000000000, 0.0002286100000000 ] - [ -0.0004744300000000, -0.0000161000000000, -0.0000942000000000 ] - [ -0.0007117300000000, 0.0004898500000000, 0.0004768500000000 ] - [ 0.0003125600000000, 0.0000042400000000, 0.0001613100000000 ] - [ 0.0009575200000000, -0.0008985700000000, 0.0000160500000000 ] - [ -0.0005578800000000, -0.0001213300000000, -0.0000386100000000 ] - [ 0.0000777000000000, -0.0000950500000000, -0.0000531000000000 ] - [ 0.0001875300000000, 0.0000030700000000, 0.0001334500000000 ] - [ -0.0002021900000000, 0.0000664000000000, -0.0001027400000000 ] - [ -0.0011999700000000, -0.0014341400000000, -0.0012166800000000 ] - [ -0.0001471300000000, 0.0000206300000000, -0.0000425200000000 ] - [ 0.0004886300000000, -0.0001382800000000, -0.0001490200000000 ] - [ 0.0010911100000000, 0.0003829400000000, 0.0005194500000000 ] - [ 0.0644349400000000, 0.0334766600000000, -0.0302177000000000 ] - [ -0.0009539300000000, 0.0003251200000000, -0.0005998600000000 ] - [ -0.0000783800000000, -0.0001845300000000, 0.0001032100000000 ] - [ 0.0003237600000000, 0.0003416700000000, -0.0000322200000000 ] - [ -0.0002337500000000, -0.0003951300000000, 0.0001811000000000 ] - [ -0.0007417800000000, 0.0009257800000000, 0.0002380300000000 ] - [ 0.0003297800000000, -0.0017488200000000, 0.0010409700000000 ] - [ 0.0007336500000000, 0.0001513900000000, 0.0000211900000000 ] - [ 0.0015430400000000, 0.0004624200000000, -0.0003108400000000 ] - [ 0.0002081100000000, -0.0000530900000000, 0.0000049500000000 ] - [ -0.0007779400000000, -0.0005313600000000, -0.0000783400000000 ] - [ 0.0003041600000000, 0.0000070500000000, 0.0000677700000000 ] - [ -0.0001993100000000, -0.0001711200000000, -0.0003978200000000 ] - [ -0.0004831300000000, -0.0000822000000000, 0.0000660500000000 ] - [ -0.0001188500000000, 0.0001338600000000, 0.0004620000000000 ] - [ 0.0003619600000000, 0.0000033800000000, -0.0000876100000000 ] - [ 0.0010238900000000, 0.0001501300000000, -0.0002594200000000 ] - [ 0.0004064300000000, 0.0001390500000000, -0.0001663500000000 ] - [ 0.0008446200000000, 0.0002688100000000, 0.0006129100000000 ] - [ -0.0008053600000000, 0.0003662300000000, -0.0003570900000000 ] - [ 0.0004607000000000, -0.0002131100000000, -0.0002989900000000 ] - [ -0.0021945600000000, -0.0040767400000000, 0.0007095100000000 ] - [ -0.0009707100000000, 0.0006302100000000, -0.0005176700000000 ] - [ -0.0005036100000000, -0.0000208400000000, -0.0005503000000000 ] - [ -0.0005021100000000, -0.0005712700000000, -0.0001228200000000 ] - [ -0.0001464900000000, 0.0001528700000000, -0.0002116000000000 ] - [ -0.0004631700000000, -0.0000700300000000, -0.0000539700000000 ] - [ 0.0001402500000000, -0.0000094500000000, 0.0002871400000000 ] - [ -0.0030903000000000, -0.0005591900000000, 0.0049865400000000 ] - [ 0.0001432600000000, 0.0003030400000000, -0.0000021800000000 ] - [ 0.0000702200000000, 0.0005609000000000, -0.0000051600000000 ] - [ -0.0009020600000000, 0.0002519400000000, 0.0002179300000000 ] - [ -0.0002181000000000, -0.0001027600000000, -0.0001328900000000 ] - [ 0.0001633500000000, 0.0000117900000000, -0.0001994300000000 ] - [ -0.0024711900000000, -0.0014035700000000, 0.0007563700000000 ] - [ -0.0001847400000000, -0.0001082100000000, 0.0003148300000000 ] - [ -0.0002084200000000, -0.0003946900000000, 0.0001652600000000 ] - [ -0.0003309700000000, 0.0005105400000000, 0.0003323800000000 ] - [ -0.0001916000000000, 0.0000179600000000, 0.0002800200000000 ] - [ -0.0002130300000000, 0.0001026300000000, 0.0001003700000000 ] - [ -0.0002745800000000, -0.0000068700000000, 0.0001431800000000 ] - [ -0.0006151000000000, 0.0000041000000000, -0.0001539500000000 ] - [ 0.0001354300000000, -0.0000293000000000, 0.0000727300000000 ] - [ -0.0006762700000000, 0.0003004000000000, 0.0000181300000000 ] - [ -0.0001932300000000, -0.0008157200000000, -0.0017130400000000 ] - [ 0.0003612900000000, -0.0001344900000000, 0.0000617400000000 ] - [ -0.0000844300000000, 0.0000823500000000, 0.0001168800000000 ] - [ -0.0004949200000000, 0.0000028200000000, -0.0004221100000000 ] - [ -0.0002685100000000, -0.0001544100000000, -0.0000991200000000 ] - [ -0.0003306600000000, -0.0000703800000000, -0.0001279000000000 ] - [ -0.0004074400000000, 0.0001523200000000, 0.0001228600000000 ] - [ 0.0001428000000000, -0.0001104500000000, 0.0001031200000000 ] - [ -0.0000124700000000, -0.0001536100000000, 0.0001656500000000 ] - [ -0.0000248100000000, -0.0000390900000000, -0.0002975100000000 ] - [ 0.0000582300000000, -0.0000197400000000, 0.0002328200000000 ] - [ 0.0001460500000000, -0.0002105700000000, -0.0002308400000000 ] - [ 0.0000467200000000, 0.0003090900000000, 0.0002234000000000 ] - [ 0.0003508900000000, -0.0005015500000000, 0.0014383900000000 ] - [ 0.0002218800000000, -0.0001298000000000, -0.0004123000000000 ] - [ -0.0005772200000000, 0.0000495500000000, 0.0007066900000000 ] - [ -0.0002696200000000, 0.0000179200000000, 0.0000882000000000 ] - [ -0.0007290100000000, 0.0001285800000000, 0.0000754700000000 ] - [ -0.0000337400000000, 0.0001234400000000, -0.0000832700000000 ] - [ 0.0001983800000000, 0.0000524200000000, -0.0001367300000000 ] - [ -0.0371671000000000, -0.0321324400000000, 0.0303218600000000 ] - [ 0.0006737600000000, -0.0000930600000000, -0.0004150100000000 ] - [ 0.0000787800000000, 0.0000718500000000, 0.0001448500000000 ] - [ 0.0005365100000000, -0.0001976000000000, 0.0003895600000000 ] - [ 0.0015384500000000, 0.0000949900000000, 0.0002941700000000 ] - [ 0.0002721000000000, 0.0000138100000000, 0.0004188200000000 ] - [ 0.0006861900000000, -0.0004016400000000, 0.0006200000000000 ] - [ 0.0008212400000000, -0.0004173300000000, -0.0004347100000000 ] - [ -0.0000264900000000, 0.0002926900000000, -0.0001232100000000 ] - [ 0.0003171300000000, 0.0006823100000000, -0.0011421300000000 ] - [ 0.0005677100000000, 0.0000366900000000, -0.0004420300000000 ] - [ -0.0006488000000000, -0.0007782700000000, 0.0004302300000000 ] - [ 0.0002160000000000, 0.0001946700000000, 0.0001609800000000 ] - [ -0.0012208400000000, 0.0003405300000000, 0.0001725400000000 ] - [ -0.0004767800000000, 0.0003656300000000, -0.0001324600000000 ] - [ -0.0002553200000000, -0.0005082100000000, -0.0003234300000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005889700000000, -0.0006492200000000, 0.0000322700000000 ] - [ -0.0002504200000000, 0.0003557100000000, -0.0005611400000000 ] - [ -0.0000420900000000, 0.0002138800000000, 0.0000769100000000 ] - [ -0.0000282800000000, -0.0004825800000000, 0.0001733700000000 ] - [ 0.0000759600000000, -0.0005405400000000, 0.0002196500000000 ] - [ 0.0002215100000000, -0.0002897400000000, -0.0000693300000000 ] - [ -0.0001259200000000, 0.0007974800000000, 0.0002223800000000 ] - [ -0.0003719400000000, 0.0000767600000000, 0.0000175300000000 ] - [ -0.0000509600000000, -0.0018573100000000, 0.0004122900000000 ] - [ 0.0056807400000000, 0.0056798600000000, 0.0039177200000000 ] - [ -0.0002870400000000, 0.0008792700000000, 0.0007769800000000 ] - [ -0.0000949600000000, 0.0003284400000000, -0.0000295600000000 ] - [ -0.0001609000000000, 0.0005840200000000, -0.0001008000000000 ] - [ -0.0002349900000000, 0.0001097400000000, -0.0001925800000000 ] - [ 0.0006555900000000, 0.0007294200000000, 0.0004920400000000 ] - [ 0.0001519100000000, -0.0004427200000000, -0.0000332900000000 ] - [ 0.0001223900000000, -0.0002602300000000, -0.0000055400000000 ] - [ -0.0052364800000000, 0.0076560400000000, 0.0060526200000000 ] - [ -0.0042294200000000, 0.0070399900000000, -0.0048547800000000 ] - [ -0.0009209100000000, 0.0007522400000000, 0.0005165600000000 ] - [ -0.0001199900000000, 0.0002137100000000, 0.0002695600000000 ] - [ -0.0000498700000000, 0.0000811300000000, -0.0000800000000000 ] - [ 0.0001207600000000, -0.0004200500000000, -0.0000324300000000 ] - [ -0.0001194700000000, -0.0007983500000000, -0.0001514500000000 ] - [ -0.0001672300000000, -0.0003437200000000, -0.0001293000000000 ] - [ -0.0000101900000000, -0.0009285700000000, -0.0007540900000000 ] - [ 0.0002332800000000, -0.0006151200000000, 0.0000279800000000 ] - [ 0.0001785300000000, -0.0000127900000000, -0.0002363200000000 ] - [ 0.0002591800000000, 0.0002284200000000, 0.0003150600000000 ] - [ -0.0000873500000000, -0.0001918000000000, -0.0000003500000000 ] - [ 0.0000778700000000, -0.0001500300000000, 0.0001551100000000 ] - [ -0.0000503700000000, -0.0004909500000000, 0.0001031300000000 ] - [ 0.0009312400000000, 0.0001163400000000, -0.0009235400000000 ] - [ -0.0001775100000000, -0.0002741000000000, 0.0001442900000000 ] - [ 0.0001522200000000, -0.0001561900000000, -0.0002053900000000 ] - [ -0.0005019400000000, -0.0000672600000000, -0.0004088400000000 ] - [ -0.0327886200000000, -0.0680025700000000, 0.0323851600000000 ] - [ -0.0005459500000000, -0.0002942600000000, -0.0004256500000000 ] - [ -0.0000833800000000, 0.0001195200000000, -0.0000498200000000 ] - [ -0.0006531800000000, 0.0007550400000000, 0.0007885300000000 ] - [ 0.0002832100000000, 0.0000910000000000, -0.0005109900000000 ] - [ -0.0005439600000000, 0.0005815500000000, 0.0002186300000000 ] - [ 0.0009875700000000, 0.0023094900000000, -0.0010974900000000 ] - [ -0.0003402900000000, 0.0010886000000000, 0.0003747900000000 ] - [ 0.0009728200000000, 0.0021980900000000, -0.0036321500000000 ] - [ 0.0001425100000000, 0.0003417300000000, -0.0001124700000000 ] - [ 0.0004200600000000, 0.0007085200000000, 0.0000661200000000 ] - [ -0.0000803100000000, 0.0005955400000000, -0.0007138200000000 ] - [ 0.0002934100000000, 0.0002015500000000, 0.0000744300000000 ] - [ 0.0003226400000000, -0.0000337700000000, 0.0002534400000000 ] - [ 0.0000333400000000, -0.0002442900000000, 0.0001200500000000 ] - [ -0.0000384900000000, 0.0006137600000000, -0.0002076300000000 ] - [ -0.0001210700000000, -0.0003669500000000, 0.0006275200000000 ] - [ -0.0002490300000000, -0.0004138200000000, -0.0003033500000000 ] - [ 0.0001525400000000, 0.0000499400000000, 0.0006720600000000 ] - [ 0.0004844900000000, -0.0009877800000000, 0.0003882300000000 ] - [ 0.0001927300000000, -0.0005999000000000, 0.0001597200000000 ] - [ 0.0046818500000000, 0.0030471100000000, -0.0014471600000000 ] - [ -0.0004025700000000, -0.0006258600000000, 0.0005090500000000 ] - [ -0.0014027400000000, -0.0000057100000000, -0.0009727300000000 ] - [ 0.0004034500000000, 0.0010756900000000, 0.0004802300000000 ] - [ 0.0000913200000000, 0.0003775100000000, -0.0001847100000000 ] - [ -0.0001893300000000, -0.0001774000000000, -0.0001745700000000 ] - [ -0.0001305200000000, 0.0005362700000000, 0.0002998900000000 ] - [ -0.0008296900000000, -0.0020340800000000, 0.0003687600000000 ] - [ -0.0002240200000000, 0.0006911900000000, -0.0002889000000000 ] - [ -0.0004446800000000, 0.0009171600000000, 0.0001850600000000 ] - [ 0.0000517900000000, -0.0002428700000000, -0.0002923900000000 ] - [ -0.0000157200000000, 0.0001064000000000, -0.0002002800000000 ] - [ -0.0000602500000000, 0.0001869000000000, -0.0003335200000000 ] - [ 0.0015353100000000, -0.0002024200000000, -0.0004962900000000 ] - [ 0.0000482600000000, -0.0002363700000000, 0.0001896800000000 ] - [ 0.0002833300000000, 0.0001166100000000, -0.0005089100000000 ] - [ -0.0002196100000000, -0.0000944400000000, 0.0000269700000000 ] - [ 0.0000820700000000, 0.0000432200000000, 0.0001049500000000 ] - [ 0.0000719900000000, -0.0001153600000000, 0.0000523200000000 ] - [ -0.0000766900000000, 0.0001955400000000, 0.0001718700000000 ] - [ 0.0002063100000000, -0.0005759400000000, 0.0001929300000000 ] - [ -0.0000017700000000, -0.0000848600000000, -0.0000364200000000 ] - [ 0.0001877500000000, -0.0000003500000000, 0.0000810100000000 ] - [ 0.0002730600000000, 0.0006951400000000, 0.0009251200000000 ] - [ -0.0000339500000000, 0.0000008800000000, 0.0002482700000000 ] - [ -0.0003224500000000, 0.0006013900000000, 0.0001097200000000 ] - [ -0.0000383000000000, -0.0002441400000000, -0.0002579100000000 ] - [ 0.0002085000000000, 0.0001163800000000, 0.0000830800000000 ] - [ 0.0001572100000000, 0.0002860800000000, -0.0002653400000000 ] - [ 0.0000346900000000, 0.0001557800000000, 0.0002371900000000 ] - [ 0.0000071200000000, 0.0002794500000000, 0.0002468900000000 ] - [ 0.0002986300000000, 0.0002504400000000, 0.0002266900000000 ] - [ 0.0002846700000000, 0.0002254600000000, -0.0001541600000000 ] - [ -0.0000409600000000, 0.0002496700000000, 0.0000888100000000 ] - [ -0.0002101000000000, 0.0000261000000000, -0.0003871400000000 ] - [ 0.0000784000000000, -0.0000666300000000, 0.0002920600000000 ] - [ 0.0008229200000000, -0.0001811800000000, -0.0021341200000000 ] - [ -0.0002909600000000, 0.0006069000000000, -0.0002153200000000 ] - [ -0.0002321100000000, -0.0003472900000000, 0.0005223800000000 ] - [ -0.0001360400000000, 0.0002801000000000, 0.0000709400000000 ] - [ -0.0001088200000000, -0.0001626600000000, 0.0000848800000000 ] - [ -0.0000060700000000, -0.0000320400000000, -0.0002059500000000 ] - [ -0.0000846500000000, 0.0005428200000000, 0.0000847100000000 ] - [ 0.0309150900000000, 0.0411194300000000, -0.0317378600000000 ] - [ -0.0001037700000000, -0.0008423700000000, 0.0001431500000000 ] - [ 0.0009357500000000, -0.0004926300000000, -0.0005950600000000 ] - [ -0.0007888100000000, -0.0006785300000000, -0.0002120800000000 ] - [ 0.0004523400000000, 0.0011176700000000, 0.0006828300000000 ] - [ -0.0006913600000000, -0.0006809800000000, -0.0000865600000000 ] - [ 0.0000562500000000, 0.0007708000000000, -0.0004398600000000 ] - [ 0.0003875000000000, -0.0000346500000000, -0.0001589800000000 ] - [ -0.0003506100000000, -0.0001680000000000, -0.0000573000000000 ] - [ -0.0008118000000000, -0.0006033900000000, 0.0009877400000000 ] - [ 0.0002076300000000, 0.0006457200000000, 0.0001239200000000 ] - [ -0.0001511900000000, -0.0002072600000000, -0.0002574500000000 ] - [ 0.0006457000000000, -0.0004164300000000, 0.0003233100000000 ] - [ -0.0005407900000000, 0.0004548200000000, -0.0001915200000000 ] - [ 0.0000111500000000, -0.0003140000000000, 0.0000559200000000 ] - [ 0.0005473000000000, -0.0014330100000000, -0.0001398700000000 ]- atom: 37 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005910500000000, -0.0000861300000000, -0.0000306700000000 ] - [ 0.0009860700000000, -0.0003587700000000, 0.0005641600000000 ] - [ 0.0000422700000000, 0.0005211600000000, -0.0000769300000000 ] - [ -0.0007085900000000, 0.0004854900000000, -0.0001735100000000 ] - [ -0.0000756600000000, -0.0001951300000000, -0.0002177500000000 ] - [ 0.0005128000000000, 0.0002894100000000, 0.0000689200000000 ] - [ 0.0001257400000000, -0.0000583700000000, -0.0002205800000000 ] - [ -0.0003633700000000, -0.0000769000000000, -0.0000174600000000 ] - [ 0.0000487100000000, 0.0018626900000000, -0.0001878500000000 ] - [ -0.0055175400000000, -0.0051188800000000, -0.0037951900000000 ] - [ 0.0007831700000000, -0.0008835300000000, -0.0007748000000000 ] - [ 0.0000940200000000, -0.0001321600000000, 0.0000305200000000 ] - [ -0.0003308700000000, -0.0005822500000000, 0.0001000100000000 ] - [ 0.0002340500000000, -0.0001088400000000, -0.0000342000000000 ] - [ -0.0004611100000000, -0.0007311000000000, -0.0004920000000000 ] - [ -0.0001519100000000, -0.0000503300000000, 0.0000314800000000 ] - [ -0.0001220800000000, 0.0002594100000000, -0.0002208200000000 ] - [ 0.0051634900000000, -0.0077038600000000, -0.0061903600000000 ] - [ 0.0040722000000000, -0.0069100100000000, 0.0048970600000000 ] - [ 0.0009203800000000, -0.0009536600000000, -0.0005213900000000 ] - [ 0.0001199900000000, -0.0002140300000000, -0.0000423200000000 ] - [ 0.0000500100000000, 0.0004111500000000, 0.0000801800000000 ] - [ 0.0003711400000000, 0.0004195200000000, 0.0000324300000000 ] - [ 0.0001193400000000, 0.0009940300000000, 0.0001539600000000 ] - [ -0.0003236500000000, 0.0003437400000000, 0.0001284700000000 ] - [ 0.0000091900000000, 0.0009296900000000, 0.0005301100000000 ] - [ -0.0000362600000000, 0.0006126400000000, -0.0000278500000000 ] - [ -0.0001800200000000, -0.0004761800000000, 0.0002343900000000 ] - [ -0.0002571300000000, -0.0002282900000000, -0.0005375800000000 ] - [ -0.0001083400000000, 0.0001922100000000, 0.0000002300000000 ] - [ -0.0000785200000000, 0.0001503900000000, 0.0000713100000000 ] - [ 0.0000498400000000, 0.0002956000000000, -0.0001032700000000 ] - [ -0.0009255000000000, -0.0001074700000000, 0.0009209200000000 ] - [ 0.0001778800000000, 0.0002734200000000, -0.0001447700000000 ] - [ -0.0001494800000000, 0.0001559600000000, 0.0002037200000000 ] - [ 0.0005003400000000, 0.0000646100000000, 0.0004061500000000 ] - [ 0.0335874500000000, 0.0683770200000000, -0.0335472900000000 ] - [ 0.0005258500000000, 0.0002591600000000, -0.0000240000000000 ] - [ -0.0000640700000000, -0.0002690400000000, 0.0000533100000000 ] - [ 0.0007233200000000, -0.0011417200000000, -0.0003954000000000 ] - [ -0.0004076100000000, -0.0002031500000000, 0.0001726700000000 ] - [ 0.0003885900000000, -0.0004234500000000, -0.0002200800000000 ] - [ -0.0010223900000000, -0.0022795400000000, 0.0015385700000000 ] - [ 0.0004907700000000, -0.0009348200000000, -0.0003690400000000 ] - [ -0.0009501200000000, -0.0022584300000000, 0.0041386800000000 ] - [ 0.0000081700000000, -0.0004888500000000, 0.0001086200000000 ] - [ -0.0005707600000000, -0.0005603100000000, -0.0000696800000000 ] - [ 0.0002276900000000, -0.0004469400000000, 0.0007197700000000 ] - [ -0.0002577600000000, -0.0001849800000000, -0.0005231300000000 ] - [ -0.0001993400000000, -0.0000784500000000, 0.0000864300000000 ] - [ -0.0001576600000000, 0.0003555900000000, 0.0002181600000000 ] - [ 0.0001630300000000, -0.0005014600000000, -0.0001309500000000 ] - [ 0.0002657200000000, 0.0002131800000000, -0.0006355600000000 ] - [ 0.0002635200000000, 0.0004482100000000, -0.0001447900000000 ] - [ -0.0002612300000000, 0.0000763400000000, -0.0003290100000000 ] - [ -0.0003722000000000, 0.0008602800000000, -0.0000497400000000 ] - [ 0.0001932400000000, 0.0005345900000000, 0.0002431900000000 ] - [ -0.0043652800000000, -0.0030281600000000, 0.0010420100000000 ] - [ 0.0004409400000000, 0.0006059300000000, -0.0000586800000000 ] - [ 0.0013302400000000, -0.0003782600000000, 0.0005668600000000 ] - [ -0.0004669200000000, -0.0006909800000000, -0.0000790100000000 ] - [ -0.0000276100000000, 0.0000075300000000, -0.0002160300000000 ] - [ -0.0001949900000000, 0.0001139800000000, -0.0002256900000000 ] - [ 0.0001136400000000, -0.0004996400000000, 0.0001474200000000 ] - [ 0.0006928800000000, 0.0018876300000000, -0.0003808500000000 ] - [ -0.0001600600000000, -0.0006275600000000, 0.0006906100000000 ] - [ 0.0005566800000000, -0.0007914100000000, -0.0005243100000000 ] - [ -0.0000838400000000, 0.0002256100000000, -0.0001570400000000 ] - [ -0.0000967900000000, -0.0002309900000000, -0.0001385700000000 ] - [ 0.0000442500000000, -0.0002225400000000, -0.0001134400000000 ] - [ -0.0016714900000000, 0.0000514100000000, 0.0005005400000000 ] - [ 0.0000153800000000, -0.0001493900000000, 0.0002101000000000 ] - [ -0.0004074800000000, -0.0002280700000000, 0.0001711200000000 ] - [ 0.0000716500000000, 0.0002427400000000, -0.0000318000000000 ] - [ -0.0001180100000000, -0.0000264600000000, 0.0003427100000000 ] - [ 0.0000779500000000, 0.0002623300000000, -0.0000483300000000 ] - [ 0.0000923700000000, -0.0002304100000000, 0.0002749900000000 ] - [ -0.0000543900000000, 0.0004277200000000, -0.0001946000000000 ] - [ -0.0001482100000000, 0.0002329500000000, 0.0000330400000000 ] - [ -0.0000394000000000, 0.0001497600000000, -0.0000759800000000 ] - [ -0.0002360300000000, -0.0006757700000000, -0.0013699500000000 ] - [ 0.0001571400000000, -0.0001131100000000, 0.0000911700000000 ] - [ 0.0001996800000000, -0.0004899900000000, 0.0002288300000000 ] - [ 0.0001631300000000, 0.0003555800000000, -0.0000810300000000 ] - [ -0.0000614700000000, -0.0002663000000000, -0.0000864600000000 ] - [ -0.0001406100000000, -0.0002502900000000, -0.0001821100000000 ] - [ -0.0001468300000000, -0.0000324700000000, 0.0001015300000000 ] - [ 0.0001050000000000, -0.0004029400000000, 0.0000924500000000 ] - [ 0.0000869400000000, -0.0003141200000000, 0.0001736900000000 ] - [ 0.0001006400000000, -0.0001614900000000, -0.0002463100000000 ] - [ 0.0000771400000000, -0.0002658000000000, 0.0003588400000000 ] - [ 0.0001467700000000, -0.0004120800000000, -0.0000137700000000 ] - [ -0.0001424900000000, 0.0004523300000000, 0.0001080000000000 ] - [ -0.0007569300000000, 0.0005652500000000, 0.0017124000000000 ] - [ -0.0000918700000000, -0.0006717000000000, -0.0001874100000000 ] - [ 0.0002179400000000, 0.0003832500000000, -0.0000777500000000 ] - [ -0.0000143200000000, -0.0004257400000000, -0.0000663300000000 ] - [ -0.0002764100000000, 0.0002267100000000, 0.0003156000000000 ] - [ 0.0001181900000000, 0.0001547200000000, -0.0001333300000000 ] - [ 0.0000494700000000, -0.0005596400000000, -0.0005344700000000 ] - [ -0.0326681200000000, -0.0413077100000000, 0.0324835500000000 ] - [ 0.0005124100000000, 0.0000975200000000, -0.0004114200000000 ] - [ -0.0005337300000000, 0.0012366900000000, 0.0008691900000000 ] - [ 0.0003815000000000, -0.0000632900000000, 0.0004822800000000 ] - [ 0.0002963400000000, -0.0007107300000000, -0.0004149600000000 ] - [ -0.0000541200000000, 0.0002730800000000, 0.0003554600000000 ] - [ -0.0004630300000000, -0.0000218900000000, 0.0001659900000000 ] - [ 0.0003565800000000, -0.0003711900000000, -0.0001078300000000 ] - [ -0.0003942100000000, 0.0005735800000000, -0.0002096100000000 ] - [ 0.0012185200000000, -0.0001602800000000, -0.0012578400000000 ] - [ 0.0001967200000000, 0.0001033700000000, 0.0001453300000000 ] - [ -0.0002526600000000, -0.0005336100000000, 0.0005262200000000 ] - [ 0.0000996100000000, 0.0008242500000000, -0.0000544300000000 ] - [ -0.0002045200000000, -0.0008597900000000, 0.0004565700000000 ] - [ -0.0004189900000000, 0.0010595200000000, -0.0003258300000000 ] - [ 0.0001973700000000, 0.0010218700000000, -0.0001268300000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005692200000000, 0.0002235600000000, 0.0003911700000000 ] - [ 0.0003567600000000, -0.0001745900000000, 0.0000949400000000 ] - [ 0.0000222000000000, 0.0003716700000000, 0.0000701200000000 ] - [ -0.0006476300000000, 0.0001934700000000, -0.0000105900000000 ] - [ -0.0000505500000000, -0.0002456700000000, -0.0002602400000000 ] - [ 0.0002434000000000, -0.0000866600000000, -0.0000647200000000 ] - [ 0.0001529700000000, 0.0000061100000000, -0.0004932000000000 ] - [ -0.0002720700000000, 0.0000695900000000, -0.0001173800000000 ] - [ 0.0004726700000000, 0.0008791600000000, 0.0009327100000000 ] - [ 0.0066567200000000, 0.0060018500000000, 0.0076016800000000 ] - [ 0.0005965000000000, 0.0000437700000000, -0.0017999500000000 ] - [ -0.0000925400000000, 0.0000496000000000, -0.0003442200000000 ] - [ 0.0001652900000000, -0.0002260100000000, 0.0002142200000000 ] - [ -0.0000317500000000, -0.0001475900000000, -0.0003160100000000 ] - [ -0.0005658500000000, 0.0000570600000000, -0.0009453500000000 ] - [ 0.0000383300000000, -0.0003960300000000, -0.0005729900000000 ] - [ -0.0000317700000000, 0.0000716500000000, 0.0001117600000000 ] - [ -0.0046217200000000, 0.0042712000000000, 0.0067751300000000 ] - [ 0.0036834900000000, -0.0051400400000000, 0.0053276200000000 ] - [ 0.0007062600000000, 0.0003937800000000, 0.0007906200000000 ] - [ 0.0001047300000000, 0.0000532800000000, -0.0002584800000000 ] - [ -0.0000073800000000, 0.0002326500000000, -0.0001842200000000 ] - [ 0.0004083000000000, 0.0001079200000000, 0.0002036800000000 ] - [ -0.0001330200000000, 0.0000132300000000, 0.0005729700000000 ] - [ -0.0001267400000000, -0.0001132800000000, -0.0002536900000000 ] - [ -0.0002320200000000, -0.0001814700000000, 0.0001207300000000 ] - [ 0.0000372900000000, 0.0002001700000000, 0.0001285100000000 ] - [ 0.0004731600000000, -0.0007739700000000, 0.0006954200000000 ] - [ -0.0001730000000000, 0.0001181400000000, -0.0009901100000000 ] - [ -0.0000375600000000, -0.0000968500000000, -0.0001502800000000 ] - [ -0.0000820800000000, 0.0000455500000000, -0.0000407000000000 ] - [ -0.0000490200000000, 0.0000238400000000, -0.0004206500000000 ] - [ 0.0002523900000000, -0.0016617000000000, -0.0011369200000000 ] - [ 0.0002219900000000, 0.0000945900000000, -0.0002947900000000 ] - [ 0.0003952200000000, -0.0001364800000000, -0.0002475000000000 ] - [ 0.0003814700000000, 0.0002980900000000, 0.0006719600000000 ] - [ 0.0299461200000000, 0.0333324900000000, -0.0644304300000000 ] - [ -0.0000958300000000, -0.0000129600000000, -0.0008489800000000 ] - [ -0.0000524200000000, -0.0001156400000000, 0.0001747100000000 ] - [ 0.0002877300000000, 0.0003024300000000, -0.0003672900000000 ] - [ -0.0004013900000000, -0.0003910700000000, -0.0000268800000000 ] - [ -0.0009458900000000, 0.0012334200000000, 0.0002470800000000 ] - [ -0.0007159400000000, -0.0016228100000000, -0.0001325900000000 ] - [ -0.0000545100000000, 0.0008491500000000, -0.0002483500000000 ] - [ -0.0012276600000000, -0.0044784500000000, 0.0032059900000000 ] - [ 0.0000576600000000, -0.0002780700000000, 0.0002762700000000 ] - [ 0.0002363400000000, 0.0001686800000000, -0.0003803000000000 ] - [ 0.0001635600000000, -0.0004077600000000, 0.0008598200000000 ] - [ -0.0000014300000000, 0.0000520300000000, -0.0003834800000000 ] - [ 0.0000022100000000, -0.0001085900000000, -0.0000967700000000 ] - [ -0.0001398800000000, 0.0001630300000000, 0.0007114400000000 ] - [ 0.0001495100000000, -0.0001960200000000, -0.0001326600000000 ] - [ 0.0009509300000000, 0.0007284800000000, 0.0012659500000000 ] - [ -0.0000180600000000, 0.0000941100000000, 0.0004353100000000 ] - [ 0.0003879300000000, 0.0005616000000000, 0.0010699200000000 ] - [ 0.0005807600000000, -0.0002785700000000, 0.0001307100000000 ] - [ 0.0004746100000000, 0.0002899900000000, 0.0011153800000000 ] - [ 0.0006654100000000, 0.0005390500000000, -0.0017690800000000 ] - [ 0.0005109300000000, 0.0002210100000000, -0.0001038300000000 ] - [ 0.0009853200000000, -0.0004071000000000, 0.0004085500000000 ] - [ -0.0001141600000000, 0.0001322500000000, -0.0000522700000000 ] - [ -0.0000834900000000, 0.0001028700000000, -0.0001654400000000 ] - [ -0.0002804400000000, -0.0001320400000000, 0.0001440600000000 ] - [ -0.0001071200000000, -0.0000318900000000, 0.0000317300000000 ] - [ -0.0039694400000000, -0.0006977400000000, 0.0025621800000000 ] - [ -0.0001549700000000, -0.0004073100000000, 0.0007412400000000 ] - [ 0.0002216900000000, -0.0002938100000000, -0.0009891000000000 ] - [ -0.0007373800000000, 0.0002662800000000, 0.0002170600000000 ] - [ -0.0000919100000000, -0.0000924300000000, -0.0000120100000000 ] - [ 0.0000334600000000, -0.0001059200000000, 0.0000631600000000 ] - [ -0.0018196500000000, -0.0009699400000000, -0.0005395200000000 ] - [ -0.0000971000000000, -0.0001266200000000, 0.0004321900000000 ] - [ -0.0004030300000000, -0.0004063200000000, -0.0000270600000000 ] - [ -0.0004346100000000, 0.0003960100000000, 0.0002954400000000 ] - [ -0.0000610000000000, 0.0000230700000000, 0.0004070900000000 ] - [ -0.0000655100000000, 0.0000702900000000, 0.0002045000000000 ] - [ 0.0000535500000000, -0.0000916000000000, 0.0004072800000000 ] - [ -0.0000354100000000, 0.0002284400000000, -0.0004489400000000 ] - [ -0.0000382200000000, 0.0002530900000000, 0.0005196900000000 ] - [ 0.0001213200000000, -0.0000163500000000, -0.0002261300000000 ] - [ 0.0002127300000000, 0.0003457800000000, 0.0002622500000000 ] - [ 0.0000122600000000, 0.0002377800000000, 0.0007115600000000 ] - [ -0.0001450900000000, 0.0001595500000000, -0.0000966100000000 ] - [ 0.0000999300000000, 0.0001371500000000, -0.0001325900000000 ] - [ 0.0000122400000000, -0.0000410500000000, -0.0000485900000000 ] - [ 0.0000245600000000, 0.0000147100000000, -0.0003711200000000 ] - [ -0.0001020100000000, 0.0001285400000000, 0.0000824400000000 ] - [ 0.0001216900000000, -0.0001378900000000, 0.0002669600000000 ] - [ 0.0002215300000000, -0.0000360400000000, 0.0000392100000000 ] - [ 0.0002037900000000, 0.0001057600000000, 0.0000700500000000 ] - [ 0.0000936600000000, -0.0001235000000000, 0.0004452400000000 ] - [ 0.0002893900000000, -0.0004773600000000, -0.0000110700000000 ] - [ 0.0002825900000000, 0.0002578800000000, 0.0007498600000000 ] - [ -0.0012644200000000, -0.0009213700000000, 0.0021596900000000 ] - [ -0.0000555500000000, -0.0000966400000000, -0.0005773000000000 ] - [ -0.0005430600000000, 0.0000157900000000, 0.0009428400000000 ] - [ -0.0001301200000000, 0.0000990700000000, 0.0002286500000000 ] - [ -0.0002210100000000, -0.0000362800000000, 0.0000430800000000 ] - [ 0.0001422100000000, 0.0000972700000000, 0.0001711800000000 ] - [ 0.0000665900000000, -0.0000495000000000, -0.0002836400000000 ] - [ -0.0311140200000000, -0.0326038300000000, 0.0375214200000000 ] - [ 0.0004692800000000, -0.0000903100000000, -0.0005827300000000 ] - [ -0.0000255500000000, 0.0000910900000000, 0.0003885400000000 ] - [ -0.0001844600000000, -0.0004160200000000, 0.0003908000000000 ] - [ 0.0000365000000000, 0.0004216700000000, 0.0008062400000000 ] - [ -0.0003626500000000, -0.0002248100000000, 0.0002967800000000 ] - [ -0.0005118200000000, 0.0002933600000000, 0.0000365500000000 ] - [ 0.0005629100000000, -0.0004923900000000, -0.0007595200000000 ] - [ -0.0002775000000000, 0.0001794200000000, -0.0004766600000000 ] - [ 0.0012505800000000, 0.0006612000000000, -0.0002041800000000 ] - [ 0.0004335300000000, 0.0001618600000000, -0.0005316800000000 ] - [ -0.0010583200000000, -0.0012188100000000, -0.0007423900000000 ] - [ 0.0001704700000000, 0.0004771500000000, -0.0003166900000000 ] - [ -0.0004078700000000, -0.0002884000000000, -0.0010560100000000 ] - [ -0.0005323300000000, 0.0009084600000000, -0.0004671800000000 ] - [ 0.0009015100000000, -0.0003176500000000, 0.0006977900000000 ]- atom: 37 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0005667300000000, -0.0009580800000000, -0.0003881700000000 ] - [ 0.0003792000000000, 0.0001764900000000, -0.0000967700000000 ] - [ -0.0000232400000000, 0.0003631800000000, -0.0000693500000000 ] - [ -0.0000842400000000, -0.0001949700000000, 0.0000117200000000 ] - [ 0.0000505800000000, -0.0004905600000000, 0.0002606200000000 ] - [ 0.0004935700000000, 0.0000889200000000, 0.0000653300000000 ] - [ -0.0001525000000000, 0.0007273800000000, 0.0004907100000000 ] - [ -0.0004628400000000, -0.0000689300000000, 0.0001174300000000 ] - [ -0.0004683800000000, -0.0008810400000000, -0.0006989100000000 ] - [ -0.0065297600000000, -0.0053898200000000, -0.0075678300000000 ] - [ -0.0001024700000000, -0.0000439200000000, 0.0017955000000000 ] - [ 0.0000924900000000, 0.0001471500000000, 0.0003443700000000 ] - [ -0.0006613500000000, 0.0002270300000000, -0.0002147200000000 ] - [ 0.0000336300000000, 0.0001481500000000, 0.0000896300000000 ] - [ 0.0007585200000000, -0.0000574700000000, 0.0009445800000000 ] - [ -0.0000386400000000, -0.0000957600000000, 0.0005742300000000 ] - [ 0.0000315700000000, -0.0000727200000000, -0.0003391000000000 ] - [ 0.0046112900000000, -0.0044355600000000, -0.0069128100000000 ] - [ -0.0038009800000000, 0.0052978600000000, -0.0051678100000000 ] - [ -0.0007096000000000, -0.0005841600000000, -0.0007856200000000 ] - [ -0.0001042200000000, -0.0000532200000000, 0.0004862600000000 ] - [ 0.0000075600000000, 0.0002595100000000, 0.0001839300000000 ] - [ 0.0000826600000000, -0.0001088300000000, -0.0002036600000000 ] - [ 0.0001329000000000, 0.0001818600000000, -0.0005764900000000 ] - [ -0.0003654600000000, 0.0001133400000000, 0.0002549000000000 ] - [ 0.0002346500000000, 0.0001788400000000, -0.0003515400000000 ] - [ 0.0001588200000000, -0.0002019600000000, -0.0001290400000000 ] - [ -0.0004728100000000, 0.0002807400000000, -0.0006937200000000 ] - [ 0.0001705400000000, -0.0001179800000000, 0.0007630400000000 ] - [ -0.0001574200000000, 0.0000963500000000, 0.0001501500000000 ] - [ 0.0000814000000000, -0.0000452100000000, 0.0002683000000000 ] - [ 0.0000484700000000, -0.0002181800000000, 0.0004215500000000 ] - [ -0.0002512000000000, 0.0016573000000000, 0.0011367100000000 ] - [ -0.0002217100000000, -0.0000948500000000, 0.0002950400000000 ] - [ -0.0003984800000000, 0.0001376500000000, 0.0002495000000000 ] - [ -0.0003845500000000, -0.0003008100000000, -0.0006762200000000 ] - [ -0.0293607300000000, -0.0325995800000000, 0.0637646000000000 ] - [ 0.0000771100000000, -0.0000217200000000, 0.0004041600000000 ] - [ -0.0000952800000000, -0.0000344200000000, -0.0001718200000000 ] - [ -0.0002271800000000, -0.0006874600000000, 0.0007708100000000 ] - [ 0.0002765400000000, 0.0002771800000000, -0.0003126200000000 ] - [ 0.0008047500000000, -0.0010919200000000, -0.0002523300000000 ] - [ 0.0006825500000000, 0.0016593100000000, 0.0005820200000000 ] - [ 0.0002069400000000, -0.0007032500000000, 0.0002506600000000 ] - [ 0.0012481800000000, 0.0043786600000000, -0.0027173500000000 ] - [ 0.0000932200000000, 0.0001302800000000, -0.0002798900000000 ] - [ -0.0003845900000000, -0.0000179200000000, 0.0003779300000000 ] - [ -0.0000153300000000, 0.0005579800000000, -0.0008557600000000 ] - [ 0.0000378300000000, -0.0000348100000000, -0.0000622700000000 ] - [ 0.0001235400000000, -0.0000044100000000, 0.0004368500000000 ] - [ 0.0000150100000000, -0.0000500000000000, -0.0003716700000000 ] - [ -0.0000254100000000, 0.0003086500000000, -0.0002058500000000 ] - [ -0.0007932700000000, -0.0008705000000000, -0.0012641000000000 ] - [ 0.0000355700000000, -0.0000558700000000, -0.0008807000000000 ] - [ -0.0005017800000000, -0.0004372900000000, -0.0007332000000000 ] - [ -0.0004711500000000, 0.0001572300000000, 0.0002054800000000 ] - [ -0.0000894300000000, -0.0003531600000000, -0.0007191500000000 ] - [ -0.0002622200000000, -0.0004573500000000, 0.0013652900000000 ] - [ -0.0004723500000000, -0.0002408000000000, 0.0005543300000000 ] - [ -0.0010513400000000, 0.0000207400000000, -0.0008110500000000 ] - [ 0.0000529500000000, 0.0002581600000000, 0.0004541300000000 ] - [ 0.0001474900000000, 0.0002832300000000, -0.0002356000000000 ] - [ -0.0001049000000000, 0.0000683700000000, -0.0005446100000000 ] - [ 0.0000906800000000, 0.0000676100000000, 0.0004154300000000 ] - [ 0.0037564400000000, 0.0005543900000000, -0.0025338800000000 ] - [ -0.0002313300000000, 0.0004707800000000, -0.0003398000000000 ] - [ -0.0001077500000000, 0.0004177100000000, 0.0006537300000000 ] - [ 0.0007006100000000, -0.0002830900000000, -0.0006630200000000 ] - [ -0.0000211600000000, -0.0000331200000000, -0.0003264600000000 ] - [ -0.0000494700000000, 0.0000706200000000, -0.0005106300000000 ] - [ 0.0016882100000000, 0.0008233600000000, 0.0005458800000000 ] - [ 0.0001602400000000, -0.0002595700000000, -0.0000321300000000 ] - [ 0.0002784700000000, 0.0002928200000000, -0.0003127900000000 ] - [ 0.0002866000000000, -0.0002455400000000, -0.0002988400000000 ] - [ 0.0000260500000000, -0.0000066400000000, 0.0000399800000000 ] - [ 0.0002159500000000, 0.0000781800000000, -0.0002017700000000 ] - [ -0.0000373500000000, 0.0000566500000000, 0.0000391600000000 ] - [ 0.0001883700000000, -0.0003780800000000, 0.0004486800000000 ] - [ -0.0001131000000000, -0.0001053400000000, -0.0005237200000000 ] - [ 0.0000285500000000, 0.0001657700000000, 0.0002290800000000 ] - [ -0.0001795500000000, -0.0003378300000000, -0.0007216300000000 ] - [ 0.0001126700000000, -0.0003486000000000, -0.0003714600000000 ] - [ 0.0000196700000000, -0.0000456600000000, 0.0004365700000000 ] - [ 0.0000253300000000, -0.0000246500000000, -0.0002059600000000 ] - [ 0.0001361600000000, -0.0001090300000000, 0.0000458300000000 ] - [ -0.0000079100000000, 0.0000211300000000, -0.0000763900000000 ] - [ -0.0000108000000000, -0.0000047800000000, 0.0002569500000000 ] - [ -0.0000089300000000, 0.0000140500000000, 0.0000723800000000 ] - [ 0.0001645600000000, -0.0000277100000000, 0.0003620400000000 ] - [ 0.0001814200000000, -0.0000428300000000, -0.0004726500000000 ] - [ -0.0000584100000000, 0.0001075200000000, 0.0000016600000000 ] - [ -0.0003515700000000, 0.0000897400000000, -0.0003888900000000 ] - [ -0.0003434900000000, 0.0001300200000000, -0.0003490600000000 ] - [ 0.0013358700000000, 0.0013102500000000, -0.0025737800000000 ] - [ -0.0003323500000000, 0.0000339300000000, 0.0001775900000000 ] - [ 0.0005259700000000, 0.0000214600000000, -0.0004963400000000 ] - [ -0.0000192000000000, -0.0002485500000000, -0.0002265600000000 ] - [ -0.0001653300000000, 0.0001009900000000, 0.0003573100000000 ] - [ -0.0000291900000000, 0.0000266700000000, -0.0005104000000000 ] - [ -0.0001034300000000, 0.0000334700000000, -0.0001624500000000 ] - [ 0.0294847100000000, 0.0320684200000000, -0.0373564600000000 ] - [ -0.0000620600000000, -0.0006556700000000, 0.0003152700000000 ] - [ 0.0004344600000000, 0.0006552700000000, -0.0001262500000000 ] - [ -0.0002229600000000, -0.0003330000000000, -0.0001283800000000 ] - [ 0.0007115100000000, -0.0000146700000000, -0.0005392600000000 ] - [ -0.0003865900000000, -0.0001805900000000, -0.0000319300000000 ] - [ 0.0001045700000000, 0.0004539500000000, -0.0003104100000000 ] - [ 0.0001810200000000, 0.0000848800000000, 0.0004904700000000 ] - [ -0.0004703500000000, 0.0002258200000000, 0.0002121100000000 ] - [ -0.0008419100000000, -0.0014062700000000, -0.0000447100000000 ] - [ -0.0000252700000000, 0.0005824900000000, 0.0007989300000000 ] - [ 0.0006427000000000, 0.0004658500000000, 0.0010125900000000 ] - [ 0.0005756000000000, -0.0000718700000000, 0.0005847400000000 ] - [ -0.0003369500000000, -0.0001202500000000, 0.0013296200000000 ] - [ 0.0001234900000000, -0.0001628200000000, 0.0001962200000000 ] - [ -0.0001549300000000, -0.0000846500000000, -0.0009661600000000 ]- atom: 38 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0120075700000000, -0.0001845600000000, -0.0085042200000000 ] - [ 0.0001875100000000, -0.0000015000000000, 0.0000102500000000 ] - [ -0.0001171500000000, 0.0004759600000000, -0.0000342700000000 ] - [ -0.0004602600000000, -0.0000775700000000, 0.0000076500000000 ] - [ -0.0000108600000000, -0.0004314400000000, 0.0000171900000000 ] - [ 0.0005243500000000, -0.0000981600000000, -0.0000891700000000 ] - [ 0.0001111000000000, 0.0002523600000000, -0.0000474000000000 ] - [ -0.0008329800000000, 0.0000987200000000, -0.0006680500000000 ] - [ -0.0008852300000000, -0.0002584800000000, 0.0003378900000000 ] - [ 0.0000938500000000, 0.0011228100000000, 0.0003763400000000 ] - [ -0.0001817700000000, 0.0001913000000000, 0.0002081000000000 ] - [ -0.0002647900000000, 0.0000740100000000, 0.0000108800000000 ] - [ 0.0066438800000000, 0.0025108300000000, -0.0053652600000000 ] - [ 0.0004220200000000, -0.0001149000000000, -0.0001954600000000 ] - [ 0.0002390100000000, 0.0003526200000000, 0.0005320500000000 ] - [ -0.0000249200000000, -0.0001975000000000, -0.0002404000000000 ] - [ 0.0047190800000000, -0.0021800900000000, 0.0017589500000000 ] - [ 0.0005876300000000, -0.0003683300000000, -0.0006515700000000 ] - [ -0.0005330900000000, 0.0001477500000000, -0.0000128500000000 ] - [ -0.0015214200000000, -0.0001518500000000, -0.0001325100000000 ] - [ 0.0003824300000000, -0.0002359200000000, 0.0001495800000000 ] - [ -0.0001643800000000, 0.0004479800000000, -0.0000653200000000 ] - [ 0.0007321200000000, -0.0001199300000000, 0.0001011100000000 ] - [ 0.0001253000000000, -0.0001612100000000, 0.0001235600000000 ] - [ -0.0004921800000000, -0.0000862400000000, 0.0000278700000000 ] - [ -0.0010232700000000, -0.0002358300000000, -0.0003129900000000 ] - [ -0.0000607900000000, -0.0000070100000000, 0.0001622400000000 ] - [ -0.0007803900000000, -0.0008458300000000, -0.0002602000000000 ] - [ -0.0002501300000000, -0.0000233800000000, -0.0001775400000000 ] - [ -0.0001643700000000, 0.0000395500000000, -0.0000907400000000 ] - [ 0.0011022000000000, 0.0005535000000000, -0.0002783300000000 ] - [ -0.0000475300000000, -0.0002901500000000, -0.0000772000000000 ] - [ -0.0002269400000000, 0.0000605600000000, 0.0000893900000000 ] - [ -0.0003732200000000, -0.0000815100000000, -0.0000116000000000 ] - [ 0.0010262500000000, -0.0000908000000000, -0.0001268200000000 ] - [ 0.0013254900000000, -0.0009573900000000, 0.0008377400000000 ] - [ 0.0008896000000000, -0.0005958300000000, -0.0002554400000000 ] - [ -0.0634562300000000, -0.0300571800000000, -0.0192360300000000 ] - [ 0.0002616600000000, -0.0002304800000000, 0.0000557100000000 ] - [ 0.0049352400000000, 0.0042463800000000, 0.0042714300000000 ] - [ 0.0004905200000000, -0.0001160000000000, -0.0002115200000000 ] - [ -0.0006940200000000, 0.0012322700000000, 0.0021212800000000 ] - [ 0.0000471700000000, -0.0000990700000000, 0.0001631300000000 ] - [ 0.0002613100000000, 0.0001259200000000, -0.0000874000000000 ] - [ 0.0012029500000000, 0.0010905700000000, -0.0004448100000000 ] - [ 0.0003325100000000, 0.0000045300000000, 0.0000598000000000 ] - [ -0.0004084900000000, 0.0001372400000000, -0.0001080700000000 ] - [ 0.0003698600000000, 0.0000515700000000, -0.0000864600000000 ] - [ 0.0006018700000000, -0.0000509100000000, -0.0006899300000000 ] - [ 0.0023664600000000, -0.0018349600000000, -0.0014807300000000 ] - [ 0.0001967400000000, 0.0000431100000000, 0.0002862500000000 ] - [ 0.0002556900000000, 0.0002371400000000, -0.0002152500000000 ] - [ 0.0000674800000000, -0.0001123100000000, -0.0000432400000000 ] - [ 0.0001765200000000, -0.0000664900000000, -0.0001772000000000 ] - [ 0.0005125900000000, 0.0002831200000000, 0.0007041200000000 ] - [ -0.0014804500000000, -0.0010296100000000, -0.0010707200000000 ] - [ 0.0004948200000000, -0.0001087000000000, 0.0001719900000000 ] - [ 0.0008283500000000, -0.0000232100000000, -0.0001779700000000 ] - [ 0.0005583400000000, 0.0000996400000000, -0.0000071600000000 ] - [ 0.0002713100000000, -0.0000537900000000, -0.0003082800000000 ] - [ 0.0006804200000000, -0.0003245000000000, 0.0001146800000000 ] - [ 0.0002945900000000, -0.0000629600000000, -0.0000218900000000 ] - [ -0.0003529300000000, -0.0001400200000000, -0.0001482100000000 ] - [ 0.0002705500000000, 0.0000465900000000, 0.0001462200000000 ] - [ 0.0004349600000000, -0.0001672800000000, -0.0000808300000000 ] - [ 0.0000239300000000, 0.0000776500000000, 0.0002780900000000 ] - [ 0.0003965100000000, 0.0002108100000000, -0.0001865500000000 ] - [ 0.0002223500000000, 0.0003961200000000, 0.0001290900000000 ] - [ -0.0002273400000000, -0.0001134700000000, -0.0001293700000000 ] - [ 0.0001544500000000, 0.0000255600000000, -0.0001535000000000 ] - [ -0.0006838600000000, -0.0007672800000000, 0.0001516200000000 ] - [ 0.0000071300000000, -0.0000646900000000, 0.0003293200000000 ] - [ -0.0002949300000000, -0.0003152400000000, 0.0001039400000000 ] - [ 0.0002416300000000, 0.0002509900000000, 0.0000483400000000 ] - [ 0.0007448100000000, -0.0008022300000000, 0.0009516400000000 ] - [ -0.0002927700000000, -0.0003458400000000, -0.0003025200000000 ] - [ -0.0002113800000000, 0.0000195900000000, 0.0001618700000000 ] - [ 0.0024274500000000, 0.0039760200000000, 0.0011117200000000 ] - [ 0.0003043600000000, 0.0000984700000000, -0.0000333400000000 ] - [ 0.0002850200000000, 0.0005417200000000, -0.0004117500000000 ] - [ -0.0001492800000000, -0.0000521200000000, -0.0002408800000000 ] - [ 0.0000961300000000, -0.0000453200000000, 0.0001851700000000 ] - [ -0.0006780900000000, 0.0006914600000000, -0.0000592800000000 ] - [ 0.0007465600000000, 0.0008810100000000, -0.0005115800000000 ] - [ -0.0000920000000000, -0.0003389300000000, -0.0002625100000000 ] - [ -0.0000375300000000, -0.0003405100000000, -0.0003714400000000 ] - [ -0.0002043300000000, 0.0001835500000000, 0.0002697600000000 ] - [ 0.0003402400000000, 0.0000241500000000, 0.0002162700000000 ] - [ -0.0002785900000000, -0.0002886800000000, 0.0005310300000000 ] - [ -0.0000672800000000, 0.0001650600000000, -0.0001640600000000 ] - [ -0.0000332900000000, 0.0008024300000000, -0.0006145800000000 ] - [ 0.0008622300000000, 0.0022898400000000, -0.0039742200000000 ] - [ -0.0001275200000000, 0.0001910500000000, 0.0001098800000000 ] - [ 0.0000343400000000, -0.0002866800000000, -0.0000091800000000 ] - [ 0.0001614500000000, 0.0001427700000000, -0.0004001200000000 ] - [ -0.0007679700000000, 0.0000260500000000, 0.0002408900000000 ] - [ -0.0004896100000000, 0.0002098200000000, 0.0000255900000000 ] - [ 0.0019666900000000, 0.0001433800000000, 0.0040052200000000 ] - [ -0.0003437300000000, -0.0001958200000000, -0.0001454700000000 ] - [ -0.0000586400000000, 0.0003976500000000, 0.0002012400000000 ] - [ -0.0017141900000000, 0.0001614000000000, 0.0000197600000000 ] - [ -0.0005136200000000, -0.0000174400000000, 0.0000697800000000 ] - [ 0.0010041600000000, -0.0011977300000000, -0.0008058300000000 ] - [ -0.0009717200000000, 0.0011657900000000, 0.0017338000000000 ] - [ 0.0286238900000000, 0.0212400600000000, 0.0280283200000000 ] - [ 0.0000402900000000, -0.0001455600000000, 0.0000627400000000 ] - [ -0.0007544100000000, 0.0000543500000000, -0.0001064400000000 ] - [ 0.0010282400000000, -0.0000005400000000, -0.0001537400000000 ] - [ 0.0001642000000000, 0.0001222500000000, -0.0002265600000000 ] - [ -0.0000542000000000, -0.0002992800000000, -0.0001512000000000 ] - [ -0.0001894500000000, 0.0000450800000000, -0.0002761100000000 ] - [ -0.0000912700000000, -0.0003315700000000, 0.0001503100000000 ] - [ 0.0000667500000000, 0.0001525000000000, 0.0000960200000000 ] - [ -0.0010133000000000, 0.0001640000000000, -0.0001759800000000 ] - [ -0.0017264200000000, -0.0002100100000000, 0.0000142100000000 ] - [ -0.0000995700000000, -0.0003448200000000, -0.0000117800000000 ]- atom: 38 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0126133900000000, -0.0008555100000000, 0.0089814300000000 ] - [ 0.0005458900000000, 0.0000012300000000, -0.0000106100000000 ] - [ 0.0001174800000000, 0.0002602000000000, 0.0000342400000000 ] - [ -0.0002747500000000, 0.0000765100000000, -0.0000080200000000 ] - [ 0.0000111000000000, -0.0003042700000000, -0.0000171700000000 ] - [ 0.0002116500000000, 0.0000978200000000, 0.0000894200000000 ] - [ -0.0001112400000000, 0.0004822900000000, 0.0000489400000000 ] - [ 0.0000966000000000, -0.0001072400000000, 0.0006644600000000 ] - [ 0.0008720700000000, 0.0002568200000000, -0.0001085200000000 ] - [ -0.0000955100000000, -0.0006342500000000, -0.0003807700000000 ] - [ 0.0006722600000000, -0.0001912600000000, -0.0002066400000000 ] - [ 0.0002645600000000, 0.0001225100000000, -0.0000088000000000 ] - [ -0.0070423500000000, -0.0024249800000000, 0.0051892600000000 ] - [ -0.0004171000000000, 0.0001165500000000, -0.0000302900000000 ] - [ -0.0000440500000000, -0.0003494600000000, -0.0005257200000000 ] - [ 0.0000265500000000, -0.0002930500000000, 0.0002422400000000 ] - [ -0.0046832000000000, 0.0020898000000000, -0.0019484600000000 ] - [ -0.0008338400000000, 0.0004044800000000, 0.0005797400000000 ] - [ 0.0005336400000000, -0.0001497300000000, 0.0002408400000000 ] - [ 0.0015134800000000, -0.0000409000000000, 0.0001302600000000 ] - [ -0.0003817900000000, 0.0002351700000000, 0.0000787300000000 ] - [ 0.0001640500000000, 0.0000449600000000, 0.0000673700000000 ] - [ -0.0002382400000000, 0.0001176300000000, -0.0001028000000000 ] - [ -0.0001242700000000, 0.0003536300000000, -0.0001248900000000 ] - [ -0.0000011600000000, 0.0000851600000000, -0.0000265900000000 ] - [ 0.0010125800000000, 0.0002331900000000, 0.0000802400000000 ] - [ 0.0002571300000000, 0.0000061100000000, -0.0001613900000000 ] - [ 0.0007734800000000, 0.0003489700000000, 0.0002554000000000 ] - [ 0.0002493600000000, 0.0000224300000000, -0.0000484500000000 ] - [ -0.0000318000000000, -0.0000400600000000, 0.0000905200000000 ] - [ -0.0010959000000000, -0.0005517800000000, 0.0005074200000000 ] - [ 0.0000486200000000, 0.0000936300000000, 0.0000782500000000 ] - [ 0.0002256700000000, -0.0000598700000000, -0.0000895100000000 ] - [ 0.0003716500000000, 0.0000811600000000, 0.0000126500000000 ] - [ -0.0010290400000000, 0.0000927300000000, 0.0001259800000000 ] - [ -0.0013140100000000, 0.0009475700000000, -0.0008315800000000 ] - [ -0.0010067100000000, 0.0004748700000000, -0.0000814400000000 ] - [ 0.0636267400000000, 0.0297371200000000, 0.0178056200000000 ] - [ -0.0004089400000000, 0.0000800800000000, -0.0000527100000000 ] - [ -0.0049006400000000, -0.0046470500000000, -0.0038885400000000 ] - [ -0.0006119900000000, 0.0000026200000000, -0.0001277400000000 ] - [ 0.0005578900000000, -0.0010931000000000, -0.0021379600000000 ] - [ -0.0000835000000000, 0.0001182800000000, 0.0002850200000000 ] - [ -0.0001099900000000, 0.0000227700000000, 0.0000907400000000 ] - [ -0.0012165400000000, -0.0011379400000000, 0.0009224400000000 ] - [ -0.0001807300000000, -0.0001510600000000, -0.0000642200000000 ] - [ 0.0002570200000000, 0.0000131700000000, 0.0001054100000000 ] - [ -0.0002189100000000, 0.0000991400000000, 0.0000872900000000 ] - [ -0.0005605800000000, 0.0000698200000000, 0.0002385900000000 ] - [ -0.0022222700000000, 0.0017019200000000, 0.0018010500000000 ] - [ -0.0003192900000000, 0.0000678500000000, 0.0000544900000000 ] - [ -0.0001303500000000, -0.0001218200000000, -0.0001276200000000 ] - [ 0.0000802400000000, -0.0000386600000000, 0.0000390000000000 ] - [ -0.0001583400000000, 0.0001027000000000, -0.0002706300000000 ] - [ -0.0006257700000000, -0.0001661300000000, -0.0003652800000000 ] - [ 0.0015877500000000, 0.0008921600000000, 0.0014043600000000 ] - [ -0.0001092700000000, 0.0000440700000000, 0.0002286600000000 ] - [ -0.0004411000000000, 0.0000858400000000, -0.0002224800000000 ] - [ -0.0005178800000000, -0.0001177500000000, 0.0004505800000000 ] - [ -0.0003346000000000, -0.0003313800000000, -0.0000942100000000 ] - [ -0.0007383800000000, 0.0007030200000000, 0.0002878600000000 ] - [ -0.0002314400000000, 0.0004466100000000, -0.0003823600000000 ] - [ -0.0000302000000000, 0.0000763300000000, -0.0002551800000000 ] - [ -0.0002867800000000, -0.0000093600000000, 0.0003002800000000 ] - [ -0.0005802600000000, 0.0000157300000000, 0.0000861500000000 ] - [ -0.0004077600000000, -0.0000118600000000, 0.0001239800000000 ] - [ -0.0002824900000000, -0.0000861900000000, -0.0001532500000000 ] - [ -0.0002589200000000, -0.0004140000000000, -0.0005735300000000 ] - [ 0.0001153900000000, -0.0000099700000000, -0.0002114500000000 ] - [ -0.0001714000000000, -0.0000619200000000, -0.0002938600000000 ] - [ 0.0005414700000000, 0.0006032200000000, -0.0001399200000000 ] - [ 0.0000565500000000, -0.0003199600000000, 0.0000720200000000 ] - [ 0.0001729800000000, 0.0002048200000000, -0.0004446900000000 ] - [ -0.0003881100000000, -0.0001004100000000, -0.0000517700000000 ] - [ -0.0007807500000000, 0.0008198700000000, -0.0005032300000000 ] - [ 0.0004436100000000, 0.0004932600000000, 0.0003049900000000 ] - [ 0.0002287700000000, -0.0000559300000000, 0.0002834800000000 ] - [ -0.0022164600000000, -0.0040396600000000, -0.0011133100000000 ] - [ -0.0004531600000000, 0.0000489200000000, 0.0000273600000000 ] - [ -0.0001340200000000, -0.0003858200000000, 0.0004101600000000 ] - [ 0.0001869700000000, 0.0000686100000000, -0.0002062100000000 ] - [ 0.0000271100000000, -0.0000659300000000, 0.0001547900000000 ] - [ 0.0005532000000000, -0.0005781400000000, 0.0004019900000000 ] - [ -0.0006236300000000, -0.0007715800000000, 0.0001725000000000 ] - [ 0.0002387800000000, 0.0001873700000000, 0.0002578400000000 ] - [ 0.0000532300000000, 0.0003797300000000, -0.0000732400000000 ] - [ 0.0000916200000000, -0.0000592300000000, 0.0000712200000000 ] - [ -0.0002277900000000, -0.0001459500000000, 0.0001244300000000 ] - [ 0.0006622000000000, 0.0002256300000000, -0.0001278400000000 ] - [ 0.0004509100000000, -0.0001011100000000, -0.0002395800000000 ] - [ 0.0000707700000000, -0.0008201400000000, 0.0010591800000000 ] - [ -0.0009178900000000, -0.0026668600000000, 0.0035689800000000 ] - [ 0.0000631100000000, 0.0001937700000000, 0.0002902500000000 ] - [ 0.0000306300000000, 0.0006776100000000, -0.0003937800000000 ] - [ -0.0005429700000000, -0.0002049900000000, -0.0000022600000000 ] - [ 0.0007491900000000, 0.0000116800000000, 0.0002027000000000 ] - [ 0.0003399100000000, -0.0003598000000000, -0.0000242600000000 ] - [ -0.0023221100000000, -0.0000834000000000, -0.0035325500000000 ] - [ 0.0004535200000000, 0.0003174700000000, -0.0001982100000000 ] - [ 0.0000206900000000, -0.0004124100000000, -0.0006425400000000 ] - [ 0.0009679800000000, 0.0002535900000000, -0.0002980300000000 ] - [ 0.0009190000000000, -0.0007259300000000, -0.0003385500000000 ] - [ -0.0005705100000000, 0.0019447200000000, 0.0010653200000000 ] - [ 0.0005671300000000, -0.0019034900000000, -0.0014576400000000 ] - [ -0.0276317100000000, -0.0202585200000000, -0.0270846600000000 ] - [ -0.0007835100000000, -0.0002648000000000, 0.0002045600000000 ] - [ 0.0003453200000000, 0.0006903800000000, -0.0001581300000000 ] - [ -0.0002826300000000, -0.0004060600000000, -0.0001106700000000 ] - [ -0.0009109000000000, 0.0002823200000000, -0.0000381800000000 ] - [ 0.0004578100000000, -0.0004473900000000, -0.0001237700000000 ] - [ 0.0005930900000000, 0.0006999400000000, 0.0005425300000000 ] - [ -0.0003149500000000, -0.0004137300000000, 0.0001196300000000 ] - [ 0.0006804700000000, 0.0002499700000000, 0.0001711900000000 ] - [ 0.0002681800000000, -0.0005708500000000, 0.0004480700000000 ] - [ 0.0013074100000000, 0.0009447500000000, -0.0002716500000000 ] - [ 0.0008432800000000, -0.0000596400000000, -0.0002547400000000 ]- atom: 38 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0056580000000000, 0.0000706300000000, -0.0030737400000000 ] - [ 0.0003539200000000, 0.0001837900000000, 0.0000396800000000 ] - [ 0.0001327800000000, 0.0003676400000000, 0.0000172500000000 ] - [ -0.0003393600000000, -0.0002580900000000, -0.0000159100000000 ] - [ -0.0000116900000000, -0.0004369000000000, -0.0000028800000000 ] - [ 0.0002559800000000, -0.0003374400000000, 0.0000917300000000 ] - [ 0.0000823600000000, 0.0005183900000000, 0.0000017700000000 ] - [ -0.0002106600000000, 0.0003144700000000, 0.0002199900000000 ] - [ -0.0002328400000000, 0.0001005300000000, 0.0003014500000000 ] - [ 0.0009447200000000, -0.0008180100000000, -0.0000179700000000 ] - [ 0.0002451100000000, 0.0002515600000000, -0.0000647400000000 ] - [ -0.0000807000000000, 0.0003689900000000, 0.0000724500000000 ] - [ 0.0030153600000000, 0.0029492700000000, -0.0029974600000000 ] - [ -0.0008736400000000, -0.0007908000000000, -0.0007433500000000 ] - [ 0.0005900500000000, 0.0014306000000000, -0.0004119700000000 ] - [ -0.0001315800000000, -0.0001284800000000, -0.0000237500000000 ] - [ -0.0027624500000000, 0.0041888900000000, -0.0018592100000000 ] - [ -0.0007786900000000, 0.0025979500000000, -0.0008303100000000 ] - [ 0.0000956800000000, -0.0001013500000000, 0.0001758300000000 ] - [ -0.0003509500000000, 0.0008709300000000, -0.0002802900000000 ] - [ -0.0001656500000000, -0.0000305300000000, 0.0002860800000000 ] - [ -0.0000405600000000, 0.0002470100000000, -0.0000382700000000 ] - [ 0.0002692600000000, -0.0007389800000000, -0.0003415600000000 ] - [ -0.0001916400000000, -0.0005688700000000, 0.0000451800000000 ] - [ -0.0002853300000000, -0.0002590200000000, 0.0000681300000000 ] - [ -0.0002215100000000, -0.0000664400000000, -0.0003459900000000 ] - [ 0.0001231100000000, -0.0003764500000000, -0.0000736200000000 ] - [ -0.0006580700000000, -0.0009633900000000, -0.0003648600000000 ] - [ 0.0000718700000000, -0.0000692200000000, -0.0000569400000000 ] - [ -0.0000763500000000, -0.0002858700000000, 0.0000458300000000 ] - [ 0.0004984600000000, -0.0001065500000000, 0.0006201500000000 ] - [ 0.0000378300000000, -0.0006215400000000, 0.0001870100000000 ] - [ 0.0000804000000000, -0.0001059100000000, 0.0000895100000000 ] - [ -0.0001221300000000, -0.0000460200000000, 0.0000949400000000 ] - [ 0.0004214100000000, -0.0000617600000000, -0.0003694300000000 ] - [ -0.0000289800000000, -0.0014992700000000, 0.0002666300000000 ] - [ -0.0003989000000000, -0.0003394800000000, -0.0001663900000000 ] - [ -0.0302701800000000, -0.0507752000000000, -0.0203856900000000 ] - [ -0.0001643800000000, -0.0000833200000000, -0.0000732000000000 ] - [ 0.0035731100000000, 0.0017434500000000, 0.0028089900000000 ] - [ -0.0001284400000000, -0.0002717100000000, -0.0000849000000000 ] - [ 0.0000581700000000, 0.0008741400000000, 0.0021183500000000 ] - [ -0.0005278400000000, 0.0005468100000000, 0.0002950100000000 ] - [ -0.0000125300000000, 0.0003872700000000, -0.0000055000000000 ] - [ -0.0010951700000000, 0.0004409800000000, 0.0007231700000000 ] - [ 0.0001428100000000, 0.0001411800000000, -0.0000258500000000 ] - [ 0.0000628800000000, 0.0009194800000000, 0.0001952500000000 ] - [ 0.0005185600000000, -0.0000895700000000, -0.0001904500000000 ] - [ -0.0000835900000000, -0.0001592900000000, 0.0000903400000000 ] - [ -0.0009476500000000, -0.0003986300000000, 0.0008706700000000 ] - [ -0.0000028000000000, 0.0000150700000000, 0.0002460300000000 ] - [ 0.0003372300000000, 0.0002744100000000, -0.0001505100000000 ] - [ -0.0001640200000000, 0.0000623700000000, 0.0000717000000000 ] - [ -0.0000762900000000, -0.0001955900000000, -0.0002022600000000 ] - [ -0.0000238000000000, -0.0003015500000000, 0.0001690100000000 ] - [ 0.0005226000000000, 0.0021747600000000, 0.0046214700000000 ] - [ 0.0001715000000000, -0.0002476900000000, 0.0001329000000000 ] - [ 0.0002784400000000, -0.0003254000000000, -0.0003164400000000 ] - [ 0.0005259100000000, 0.0000564200000000, -0.0001080900000000 ] - [ 0.0000560100000000, -0.0000441700000000, -0.0003216600000000 ] - [ -0.0001802100000000, 0.0004105700000000, 0.0002025400000000 ] - [ -0.0004831700000000, 0.0001017600000000, -0.0006255500000000 ] - [ -0.0001741300000000, -0.0002531500000000, -0.0001485600000000 ] - [ -0.0000365900000000, 0.0001678800000000, 0.0002370900000000 ] - [ -0.0000129100000000, -0.0002445300000000, 0.0000160500000000 ] - [ -0.0001863000000000, 0.0002603900000000, 0.0001417700000000 ] - [ 0.0001451200000000, 0.0003292400000000, -0.0001667600000000 ] - [ 0.0000838700000000, -0.0000481900000000, -0.0001112900000000 ] - [ -0.0000859600000000, 0.0001427800000000, -0.0002580200000000 ] - [ 0.0000348700000000, 0.0001549800000000, -0.0002301200000000 ] - [ -0.0022147100000000, 0.0028877300000000, -0.0020961500000000 ] - [ 0.0002204500000000, -0.0000523800000000, 0.0003224600000000 ] - [ 0.0000062700000000, 0.0008311500000000, -0.0008924800000000 ] - [ -0.0000568500000000, 0.0001340100000000, 0.0000714000000000 ] - [ -0.0001730500000000, -0.0000426300000000, -0.0000329800000000 ] - [ 0.0000497100000000, -0.0004760000000000, -0.0002460100000000 ] - [ -0.0000284600000000, 0.0001912600000000, 0.0002292300000000 ] - [ 0.0042860500000000, 0.0023702600000000, 0.0011723800000000 ] - [ -0.0000200500000000, -0.0001756300000000, -0.0000272000000000 ] - [ 0.0002993000000000, 0.0005720200000000, -0.0002540900000000 ] - [ -0.0000834900000000, 0.0005880200000000, -0.0001848700000000 ] - [ -0.0000387500000000, 0.0001178200000000, 0.0002134500000000 ] - [ 0.0003579500000000, 0.0010413700000000, 0.0006601200000000 ] - [ 0.0003146300000000, 0.0002653800000000, -0.0003649700000000 ] - [ 0.0000226000000000, -0.0000371800000000, 0.0001272700000000 ] - [ -0.0003501400000000, 0.0010713300000000, 0.0001657900000000 ] - [ -0.0000835200000000, 0.0005781900000000, 0.0001206000000000 ] - [ 0.0000675200000000, 0.0001518000000000, 0.0002443800000000 ] - [ 0.0005076500000000, 0.0009300300000000, -0.0001502000000000 ] - [ 0.0001824800000000, 0.0003617200000000, -0.0002361900000000 ] - [ 0.0001725900000000, 0.0007537800000000, -0.0006501000000000 ] - [ 0.0013204000000000, 0.0016863400000000, -0.0044033900000000 ] - [ -0.0003227800000000, 0.0003930800000000, 0.0007049500000000 ] - [ -0.0003457700000000, 0.0000617500000000, -0.0004249800000000 ] - [ -0.0002133800000000, 0.0002964400000000, -0.0001801600000000 ] - [ -0.0000160700000000, -0.0003100100000000, -0.0000260200000000 ] - [ -0.0001995900000000, 0.0003415300000000, 0.0000539200000000 ] - [ -0.0016003200000000, -0.0017020400000000, -0.0012963200000000 ] - [ -0.0000651700000000, -0.0003691800000000, -0.0002454700000000 ] - [ 0.0000829500000000, 0.0002329200000000, 0.0001437400000000 ] - [ -0.0001800600000000, 0.0006050400000000, -0.0000936600000000 ] - [ 0.0005303800000000, -0.0000844400000000, 0.0000114900000000 ] - [ -0.0000770600000000, -0.0000783400000000, -0.0008708700000000 ] - [ -0.0000231700000000, -0.0008270000000000, -0.0003891500000000 ] - [ 0.0211835800000000, 0.0303421400000000, 0.0271601600000000 ] - [ -0.0005449000000000, -0.0013229400000000, 0.0000925800000000 ] - [ -0.0004701500000000, 0.0001441900000000, 0.0001481100000000 ] - [ 0.0004247800000000, 0.0003289700000000, 0.0000868900000000 ] - [ -0.0002921700000000, -0.0002019000000000, -0.0001245400000000 ] - [ 0.0020072000000000, -0.0012250400000000, 0.0010196100000000 ] - [ 0.0000718200000000, 0.0002000900000000, 0.0001131300000000 ] - [ 0.0001784400000000, -0.0007264800000000, 0.0000879400000000 ] - [ 0.0003777300000000, -0.0001473200000000, 0.0001324000000000 ] - [ -0.0004007600000000, 0.0002537000000000, 0.0000739900000000 ] - [ -0.0020037600000000, -0.0005841900000000, 0.0001268900000000 ] - [ 0.0003699400000000, -0.0005855400000000, -0.0001735400000000 ]- atom: 38 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0057265700000000, -0.0007974100000000, 0.0031092200000000 ] - [ 0.0003804600000000, -0.0001838300000000, -0.0000403000000000 ] - [ -0.0001345300000000, 0.0003668700000000, -0.0000161200000000 ] - [ -0.0003954400000000, 0.0002580700000000, 0.0000157000000000 ] - [ 0.0000115300000000, -0.0002985000000000, 0.0000027000000000 ] - [ 0.0004803400000000, 0.0003389100000000, -0.0000931500000000 ] - [ -0.0000825400000000, 0.0002173000000000, -0.0000020900000000 ] - [ -0.0005232800000000, -0.0003179600000000, -0.0002193400000000 ] - [ 0.0002285100000000, -0.0001049700000000, -0.0000761900000000 ] - [ -0.0009426900000000, 0.0013100700000000, 0.0000181900000000 ] - [ 0.0002462000000000, -0.0002504500000000, 0.0000679900000000 ] - [ 0.0000806900000000, -0.0001729300000000, -0.0000718600000000 ] - [ -0.0034726700000000, -0.0029647200000000, 0.0029623500000000 ] - [ 0.0008733800000000, 0.0007912700000000, 0.0005156900000000 ] - [ -0.0003921700000000, -0.0014292400000000, 0.0004152200000000 ] - [ 0.0001335600000000, -0.0003654000000000, 0.0000229200000000 ] - [ 0.0029250300000000, -0.0044179600000000, 0.0017442700000000 ] - [ 0.0005690900000000, -0.0026159700000000, 0.0008133500000000 ] - [ -0.0000948300000000, 0.0001030500000000, 0.0000510000000000 ] - [ 0.0003500100000000, -0.0010636600000000, 0.0002778900000000 ] - [ 0.0001642000000000, 0.0000329100000000, -0.0000589300000000 ] - [ 0.0000403100000000, 0.0002439800000000, 0.0000388000000000 ] - [ 0.0002211800000000, 0.0007391300000000, 0.0003423500000000 ] - [ 0.0001935600000000, 0.0007654500000000, -0.0000468300000000 ] - [ -0.0002065600000000, 0.0002590800000000, -0.0000677900000000 ] - [ 0.0002202100000000, 0.0000646200000000, 0.0001196100000000 ] - [ 0.0000723200000000, 0.0003757100000000, 0.0000745700000000 ] - [ 0.0006557300000000, 0.0004709900000000, 0.0003634000000000 ] - [ -0.0000721300000000, 0.0000693800000000, -0.0001698700000000 ] - [ -0.0001201000000000, 0.0002860600000000, -0.0000467500000000 ] - [ -0.0004997300000000, 0.0001044300000000, -0.0003953600000000 ] - [ -0.0000366000000000, 0.0004257200000000, -0.0001857800000000 ] - [ -0.0000805200000000, 0.0001074800000000, -0.0000889900000000 ] - [ 0.0001226300000000, 0.0000444900000000, -0.0000953300000000 ] - [ -0.0004249500000000, 0.0000619100000000, 0.0003696200000000 ] - [ 0.0000303300000000, 0.0014944800000000, -0.0002634800000000 ] - [ 0.0002896300000000, 0.0002130100000000, -0.0001743200000000 ] - [ 0.0295132600000000, 0.0507479200000000, 0.0191246700000000 ] - [ 0.0000173800000000, -0.0000656800000000, 0.0000773900000000 ] - [ -0.0035328500000000, -0.0021273100000000, -0.0024170400000000 ] - [ 0.0000058200000000, 0.0001606400000000, -0.0002549000000000 ] - [ -0.0002080100000000, -0.0007304200000000, -0.0021500000000000 ] - [ 0.0004862000000000, -0.0005284000000000, 0.0001533500000000 ] - [ 0.0001627400000000, -0.0002399700000000, 0.0000093600000000 ] - [ 0.0011332700000000, -0.0004806600000000, -0.0002838400000000 ] - [ 0.0000078300000000, -0.0002887500000000, 0.0000216800000000 ] - [ -0.0002139800000000, -0.0007737300000000, -0.0001993000000000 ] - [ -0.0003732300000000, 0.0002405200000000, 0.0001951000000000 ] - [ 0.0001204300000000, 0.0001777900000000, -0.0005372400000000 ] - [ 0.0010624800000000, 0.0002972100000000, -0.0005278600000000 ] - [ -0.0001206900000000, 0.0000959500000000, 0.0000937100000000 ] - [ -0.0002141100000000, -0.0001609600000000, -0.0001893300000000 ] - [ 0.0003105400000000, -0.0002141500000000, -0.0000763200000000 ] - [ 0.0000926200000000, 0.0002315200000000, -0.0002443000000000 ] - [ -0.0000859200000000, 0.0004296800000000, 0.0001743900000000 ] - [ -0.0004187200000000, -0.0022825500000000, -0.0042364800000000 ] - [ 0.0002140100000000, 0.0001828500000000, 0.0002678500000000 ] - [ 0.0001067600000000, 0.0003900500000000, -0.0000833700000000 ] - [ -0.0004881700000000, -0.0000750300000000, 0.0005538500000000 ] - [ -0.0001200500000000, -0.0003425400000000, -0.0000791400000000 ] - [ 0.0001160700000000, -0.0000244000000000, 0.0001987400000000 ] - [ 0.0005530100000000, 0.0002862900000000, 0.0002285600000000 ] - [ -0.0002103800000000, 0.0001896500000000, -0.0002519900000000 ] - [ 0.0000196600000000, -0.0001312200000000, 0.0002095400000000 ] - [ -0.0001359400000000, 0.0000941500000000, -0.0000128200000000 ] - [ -0.0001990900000000, -0.0001968400000000, 0.0002597200000000 ] - [ -0.0000323900000000, -0.0002062000000000, -0.0001728000000000 ] - [ -0.0001200000000000, 0.0000306400000000, -0.0003356200000000 ] - [ -0.0000261600000000, -0.0002670500000000, -0.0000809400000000 ] - [ -0.0000522000000000, -0.0001921400000000, -0.0002175100000000 ] - [ 0.0020455600000000, -0.0030094900000000, 0.0020742200000000 ] - [ -0.0001564400000000, -0.0003337000000000, 0.0000785500000000 ] - [ -0.0001293400000000, -0.0009383500000000, 0.0005459300000000 ] - [ -0.0000910900000000, 0.0000149700000000, -0.0000752400000000 ] - [ 0.0001355300000000, 0.0000628000000000, 0.0004792100000000 ] - [ 0.0001013400000000, 0.0006249400000000, 0.0002495800000000 ] - [ 0.0000468500000000, -0.0002283000000000, 0.0002171700000000 ] - [ -0.0040805600000000, -0.0024913300000000, -0.0011750500000000 ] - [ -0.0001305500000000, 0.0003245500000000, 0.0000241300000000 ] - [ -0.0001504000000000, -0.0004234200000000, 0.0002572100000000 ] - [ 0.0001205000000000, -0.0005735800000000, -0.0002620200000000 ] - [ 0.0001616000000000, -0.0002307000000000, 0.0001260000000000 ] - [ -0.0004855600000000, -0.0009345400000000, -0.0003235000000000 ] - [ -0.0001943500000000, -0.0001588900000000, 0.0000276700000000 ] - [ 0.0001257500000000, -0.0001120900000000, -0.0001310000000000 ] - [ 0.0003702200000000, -0.0010424000000000, -0.0006166700000000 ] - [ -0.0000282300000000, -0.0004564800000000, 0.0002192000000000 ] - [ 0.0000443800000000, -0.0002747900000000, 0.0000952600000000 ] - [ -0.0001254700000000, -0.0009993700000000, 0.0005546100000000 ] - [ 0.0002030100000000, -0.0002985400000000, -0.0001662900000000 ] - [ -0.0001362100000000, -0.0007729900000000, 0.0010994200000000 ] - [ -0.0013848400000000, -0.0020652200000000, 0.0040112000000000 ] - [ 0.0002586700000000, -0.0000085300000000, -0.0003017200000000 ] - [ 0.0004071300000000, 0.0003173800000000, 0.0000236700000000 ] - [ -0.0001727000000000, -0.0003594500000000, -0.0002205700000000 ] - [ -0.0000012700000000, 0.0003469300000000, 0.0004762500000000 ] - [ 0.0000507000000000, -0.0004891700000000, -0.0000514700000000 ] - [ 0.0012167500000000, 0.0017708700000000, 0.0017028600000000 ] - [ 0.0001782500000000, 0.0004938000000000, -0.0000948800000000 ] - [ -0.0001210600000000, -0.0002489700000000, -0.0005907300000000 ] - [ -0.0005722500000000, -0.0001954700000000, -0.0001784700000000 ] - [ -0.0001246800000000, -0.0006672900000000, -0.0002813600000000 ] - [ 0.0004929000000000, 0.0008205700000000, 0.0011398500000000 ] - [ -0.0003846500000000, 0.0000769000000000, 0.0006540800000000 ] - [ -0.0198317300000000, -0.0297340100000000, -0.0261691600000000 ] - [ -0.0001986900000000, 0.0009191000000000, 0.0001760600000000 ] - [ 0.0000635500000000, 0.0006019100000000, -0.0004143200000000 ] - [ 0.0003209200000000, -0.0007366800000000, -0.0003552200000000 ] - [ -0.0004580600000000, 0.0006044200000000, -0.0001394400000000 ] - [ -0.0015883600000000, 0.0004858500000000, -0.0012865400000000 ] - [ 0.0003336200000000, 0.0005462600000000, 0.0001542700000000 ] - [ -0.0005839600000000, -0.0000183000000000, 0.0001802800000000 ] - [ 0.0003723500000000, 0.0005482200000000, 0.0001324900000000 ] - [ -0.0003474300000000, -0.0006559800000000, 0.0001910200000000 ] - [ 0.0015973300000000, 0.0013287600000000, -0.0003924900000000 ] - [ 0.0003772100000000, 0.0001815300000000, -0.0000935200000000 ]- atom: 38 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0112621700000000, -0.0019950800000000, 0.0049367800000000 ] - [ 0.0003836100000000, 0.0000377200000000, 0.0000299000000000 ] - [ -0.0000778600000000, 0.0003628300000000, 0.0001743400000000 ] - [ -0.0004773600000000, -0.0000418100000000, 0.0000159800000000 ] - [ -0.0000125200000000, -0.0004108600000000, -0.0001346300000000 ] - [ 0.0001811200000000, 0.0000343800000000, -0.0000622700000000 ] - [ -0.0000839300000000, 0.0005545500000000, -0.0003318100000000 ] - [ -0.0007480500000000, 0.0001029500000000, -0.0008215400000000 ] - [ -0.0001881600000000, 0.0000329600000000, 0.0007208100000000 ] - [ 0.0007819000000000, -0.0002867500000000, 0.0013845400000000 ] - [ 0.0002047400000000, -0.0001248100000000, -0.0000874600000000 ] - [ 0.0001119700000000, -0.0000507900000000, -0.0006505900000000 ] - [ -0.0047116400000000, -0.0013166500000000, 0.0062546800000000 ] - [ -0.0008371100000000, -0.0008259700000000, -0.0008968000000000 ] - [ 0.0010168500000000, 0.0003424600000000, -0.0009918400000000 ] - [ -0.0000212600000000, -0.0004824400000000, -0.0009336700000000 ] - [ 0.0024469800000000, -0.0019281900000000, 0.0036130800000000 ] - [ -0.0005192700000000, -0.0003980400000000, 0.0003163900000000 ] - [ -0.0002302900000000, 0.0000335300000000, 0.0001584300000000 ] - [ -0.0008420300000000, -0.0002761500000000, 0.0011290700000000 ] - [ -0.0000236000000000, 0.0001527600000000, -0.0004786200000000 ] - [ -0.0000442000000000, 0.0002841200000000, -0.0005092500000000 ] - [ 0.0005460400000000, -0.0000705600000000, 0.0000735600000000 ] - [ -0.0000223300000000, -0.0000039700000000, 0.0005831700000000 ] - [ -0.0001893800000000, 0.0000512400000000, -0.0000705800000000 ] - [ -0.0004264700000000, -0.0002195800000000, -0.0002426500000000 ] - [ 0.0000058100000000, -0.0000598500000000, 0.0000991000000000 ] - [ -0.0001707400000000, -0.0003207400000000, 0.0003191400000000 ] - [ -0.0000823300000000, 0.0000219300000000, -0.0004077500000000 ] - [ -0.0001733900000000, 0.0000723700000000, -0.0000883900000000 ] - [ -0.0001224700000000, 0.0007769200000000, -0.0007227800000000 ] - [ -0.0000296800000000, -0.0000252100000000, -0.0005324400000000 ] - [ 0.0000461400000000, -0.0000144700000000, 0.0001910300000000 ] - [ 0.0000426100000000, 0.0000337400000000, -0.0002499500000000 ] - [ 0.0005603000000000, -0.0005612400000000, -0.0004098300000000 ] - [ 0.0005878800000000, 0.0000827200000000, 0.0006598900000000 ] - [ 0.0003198800000000, -0.0002636800000000, -0.0007935700000000 ] - [ -0.0189849200000000, -0.0203084800000000, -0.0727365500000000 ] - [ 0.0001734400000000, -0.0002185500000000, 0.0000971100000000 ] - [ 0.0017357700000000, 0.0011698100000000, 0.0010019300000000 ] - [ 0.0002489100000000, -0.0001436200000000, -0.0002299900000000 ] - [ 0.0004667300000000, 0.0021966600000000, 0.0028202600000000 ] - [ 0.0003116200000000, -0.0002192500000000, -0.0000639600000000 ] - [ 0.0000788900000000, 0.0001996600000000, -0.0002253900000000 ] - [ -0.0006815600000000, -0.0005193400000000, 0.0001970600000000 ] - [ 0.0001323900000000, -0.0001709500000000, 0.0002427800000000 ] - [ -0.0002279900000000, -0.0001027000000000, -0.0004155000000000 ] - [ -0.0004081100000000, -0.0000012700000000, 0.0004016100000000 ] - [ -0.0000200900000000, 0.0000255800000000, -0.0000401100000000 ] - [ -0.0012563900000000, 0.0007619900000000, -0.0001825900000000 ] - [ 0.0000735700000000, 0.0000466700000000, 0.0003913900000000 ] - [ -0.0002364700000000, -0.0001166600000000, -0.0003309300000000 ] - [ -0.0002432800000000, 0.0000210900000000, -0.0000246000000000 ] - [ -0.0000385800000000, -0.0000030300000000, 0.0001272700000000 ] - [ 0.0004264100000000, 0.0003586900000000, 0.0008876100000000 ] - [ 0.0005748300000000, 0.0038624100000000, 0.0031570900000000 ] - [ 0.0002886700000000, -0.0000553200000000, 0.0003675500000000 ] - [ 0.0004242300000000, -0.0001158200000000, -0.0004765600000000 ] - [ 0.0000889700000000, 0.0000520800000000, -0.0000634400000000 ] - [ -0.0002324700000000, -0.0003983500000000, -0.0002237800000000 ] - [ -0.0001963800000000, 0.0004863300000000, 0.0001104400000000 ] - [ 0.0002525900000000, -0.0002187600000000, -0.0001729300000000 ] - [ -0.0002723800000000, -0.0002489300000000, 0.0003569700000000 ] - [ 0.0000686700000000, 0.0000327300000000, -0.0000032400000000 ] - [ 0.0001081600000000, -0.0002021800000000, -0.0002216200000000 ] - [ -0.0001212500000000, 0.0000041600000000, 0.0004365700000000 ] - [ 0.0001521100000000, 0.0001031600000000, -0.0003170100000000 ] - [ 0.0003495500000000, 0.0004139900000000, 0.0000388300000000 ] - [ -0.0000802400000000, -0.0001713600000000, 0.0001169700000000 ] - [ 0.0000621000000000, -0.0000242700000000, -0.0000138900000000 ] - [ 0.0007313100000000, -0.0021696700000000, 0.0004983700000000 ] - [ 0.0002014300000000, -0.0001027400000000, 0.0005189500000000 ] - [ -0.0001292200000000, -0.0004974700000000, 0.0002702100000000 ] - [ 0.0001620600000000, 0.0002394800000000, -0.0000131600000000 ] - [ 0.0008554200000000, -0.0008275100000000, 0.0012471200000000 ] - [ -0.0001539800000000, 0.0002593000000000, 0.0009752100000000 ] - [ -0.0000523700000000, -0.0000237200000000, 0.0004642400000000 ] - [ -0.0000544100000000, 0.0001933500000000, -0.0019549600000000 ] - [ -0.0000230400000000, 0.0002497000000000, 0.0003371200000000 ] - [ 0.0001527900000000, 0.0000933800000000, -0.0003157400000000 ] - [ -0.0002963300000000, 0.0004752300000000, -0.0000408400000000 ] - [ -0.0000576700000000, 0.0000005900000000, 0.0003536600000000 ] - [ -0.0003462800000000, 0.0007955200000000, -0.0001583500000000 ] - [ -0.0010800600000000, -0.0014303000000000, 0.0003192400000000 ] - [ -0.0000322100000000, 0.0000483000000000, 0.0000799000000000 ] - [ 0.0001573000000000, -0.0003719000000000, -0.0006924100000000 ] - [ 0.0000076900000000, 0.0001382400000000, -0.0000227100000000 ] - [ 0.0001369800000000, -0.0000092200000000, 0.0003540500000000 ] - [ 0.0001465300000000, -0.0002245600000000, -0.0000616000000000 ] - [ 0.0002276500000000, 0.0000922100000000, 0.0001573200000000 ] - [ -0.0002378300000000, -0.0007361500000000, 0.0012467300000000 ] - [ -0.0017170000000000, -0.0036428300000000, 0.0045929100000000 ] - [ -0.0001882700000000, 0.0003368100000000, 0.0009155700000000 ] - [ 0.0002303200000000, -0.0003786900000000, 0.0000454100000000 ] - [ -0.0000744000000000, 0.0000506800000000, -0.0005614400000000 ] - [ -0.0000281000000000, -0.0002328300000000, 0.0014749700000000 ] - [ -0.0001568100000000, 0.0003536600000000, 0.0004188100000000 ] - [ 0.0046665300000000, 0.0000428000000000, 0.0034211800000000 ] - [ 0.0001130700000000, 0.0001391000000000, 0.0004871100000000 ] - [ 0.0000940700000000, 0.0003459800000000, 0.0000415200000000 ] - [ -0.0005880600000000, 0.0000569400000000, 0.0003943400000000 ] - [ -0.0005541900000000, 0.0001605100000000, -0.0000432700000000 ] - [ -0.0001949400000000, -0.0012337800000000, -0.0002346900000000 ] - [ 0.0000374800000000, -0.0009438000000000, -0.0004595900000000 ] - [ 0.0275760600000000, 0.0271988200000000, 0.0427075400000000 ] - [ -0.0001520000000000, -0.0000031100000000, 0.0005577600000000 ] - [ 0.0002699700000000, 0.0007767100000000, 0.0007259500000000 ] - [ 0.0005143600000000, -0.0001753900000000, -0.0014081700000000 ] - [ -0.0001607300000000, 0.0001246700000000, -0.0006602600000000 ] - [ -0.0006679400000000, 0.0001641900000000, -0.0008593600000000 ] - [ -0.0001726500000000, 0.0001404100000000, -0.0003689800000000 ] - [ 0.0002029300000000, -0.0004929500000000, -0.0001777400000000 ] - [ 0.0003413900000000, 0.0002624600000000, -0.0002122900000000 ] - [ -0.0007594400000000, 0.0000742600000000, -0.0005444900000000 ] - [ 0.0018475000000000, 0.0012056000000000, -0.0003746700000000 ] - [ 0.0002480100000000, -0.0003188500000000, 0.0003067000000000 ]- atom: 38 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0109713200000000, 0.0011364500000000, -0.0048822400000000 ] - [ 0.0003513100000000, -0.0000372000000000, -0.0000300300000000 ] - [ 0.0000773000000000, 0.0003723300000000, -0.0001735000000000 ] - [ -0.0002583300000000, 0.0000403500000000, -0.0000155000000000 ] - [ 0.0000117700000000, -0.0003250700000000, 0.0001343900000000 ] - [ 0.0005526500000000, -0.0000351600000000, 0.0000622800000000 ] - [ 0.0000857600000000, 0.0001807700000000, 0.0003324300000000 ] - [ 0.0000141000000000, -0.0001134600000000, 0.0008163000000000 ] - [ 0.0001812100000000, -0.0000350600000000, -0.0004952700000000 ] - [ -0.0007754900000000, 0.0007806100000000, -0.0013779500000000 ] - [ 0.0002867700000000, 0.0001266000000000, 0.0000900600000000 ] - [ -0.0001146200000000, 0.0002488000000000, 0.0006534700000000 ] - [ 0.0044382700000000, 0.0014237900000000, -0.0064647500000000 ] - [ 0.0008308300000000, 0.0008208500000000, 0.0006657300000000 ] - [ -0.0008173000000000, -0.0003324400000000, 0.0009932500000000 ] - [ 0.0000197800000000, -0.0000099000000000, 0.0009304500000000 ] - [ -0.0024258200000000, 0.0019032600000000, -0.0038495600000000 ] - [ 0.0002581900000000, 0.0004300500000000, -0.0003759000000000 ] - [ 0.0002312400000000, -0.0000334100000000, 0.0000663400000000 ] - [ 0.0008370500000000, 0.0000784900000000, -0.0011253100000000 ] - [ 0.0000247500000000, -0.0001555400000000, 0.0007068000000000 ] - [ 0.0000438000000000, 0.0002095000000000, 0.0005100000000000 ] - [ -0.0000527900000000, 0.0000679000000000, -0.0000743400000000 ] - [ 0.0000223600000000, 0.0001949500000000, -0.0005831700000000 ] - [ -0.0003034200000000, -0.0000523900000000, 0.0000714400000000 ] - [ 0.0004231600000000, 0.0002190700000000, 0.0000150200000000 ] - [ 0.0001898500000000, 0.0000575600000000, -0.0000995000000000 ] - [ 0.0001701400000000, -0.0001722900000000, -0.0003190500000000 ] - [ 0.0000823600000000, -0.0000220300000000, 0.0001825200000000 ] - [ -0.0000221700000000, -0.0000734500000000, 0.0000883000000000 ] - [ 0.0001257300000000, -0.0007742300000000, 0.0009478900000000 ] - [ 0.0000297900000000, -0.0001710300000000, 0.0005317400000000 ] - [ -0.0000455900000000, 0.0000151500000000, -0.0001900300000000 ] - [ -0.0000430400000000, -0.0000339400000000, 0.0002505400000000 ] - [ -0.0005563400000000, 0.0005620800000000, 0.0004076200000000 ] - [ -0.0005898800000000, -0.0000839800000000, -0.0006612900000000 ] - [ -0.0004311900000000, 0.0001380200000000, 0.0004588000000000 ] - [ 0.0180656600000000, 0.0192079700000000, 0.0715337000000000 ] - [ -0.0003210000000000, 0.0000690800000000, -0.0000940500000000 ] - [ -0.0016674100000000, -0.0015445200000000, -0.0005594500000000 ] - [ -0.0003699700000000, 0.0000302300000000, -0.0001094200000000 ] - [ -0.0006248800000000, -0.0020634600000000, -0.0028517500000000 ] - [ -0.0003506100000000, 0.0002392600000000, 0.0005114000000000 ] - [ 0.0000707300000000, -0.0000509400000000, 0.0002284400000000 ] - [ 0.0006858700000000, 0.0004880500000000, 0.0002567900000000 ] - [ 0.0000188300000000, 0.0000247500000000, -0.0002461700000000 ] - [ 0.0000789200000000, 0.0002526800000000, 0.0004134000000000 ] - [ 0.0005554200000000, 0.0001506400000000, -0.0003988100000000 ] - [ 0.0000572100000000, -0.0000084700000000, -0.0004043100000000 ] - [ 0.0013794400000000, -0.0008742500000000, 0.0005329800000000 ] - [ -0.0001965200000000, 0.0000641200000000, -0.0000514100000000 ] - [ 0.0003608600000000, 0.0002314400000000, -0.0000099600000000 ] - [ 0.0003877500000000, -0.0001708100000000, 0.0000205100000000 ] - [ 0.0000551500000000, 0.0000384800000000, -0.0005737900000000 ] - [ -0.0005389200000000, -0.0002412300000000, -0.0005509300000000 ] - [ -0.0004737700000000, -0.0039086400000000, -0.0027655700000000 ] - [ 0.0000963700000000, -0.0000095000000000, 0.0000341800000000 ] - [ -0.0000376400000000, 0.0001794200000000, 0.0000750900000000 ] - [ -0.0000524700000000, -0.0000705200000000, 0.0005121100000000 ] - [ 0.0001710400000000, 0.0000153200000000, -0.0001774100000000 ] - [ 0.0001317100000000, -0.0001004200000000, 0.0002916300000000 ] - [ -0.0001895800000000, 0.0006016000000000, -0.0002312000000000 ] - [ -0.0001098500000000, 0.0001840300000000, -0.0007607300000000 ] - [ -0.0000857700000000, 0.0000045300000000, 0.0004491000000000 ] - [ -0.0002547300000000, 0.0000513700000000, 0.0002252200000000 ] - [ -0.0002632000000000, 0.0000618800000000, -0.0000347300000000 ] - [ -0.0000404900000000, 0.0000203000000000, -0.0000226500000000 ] - [ -0.0003853200000000, -0.0004308100000000, -0.0004843400000000 ] - [ -0.0000312400000000, 0.0000486000000000, -0.0004575200000000 ] - [ -0.0000790700000000, -0.0000112700000000, -0.0004324600000000 ] - [ -0.0008805300000000, 0.0020245500000000, -0.0004921300000000 ] - [ -0.0001358500000000, -0.0002817200000000, -0.0001169700000000 ] - [ 0.0000065500000000, 0.0003868600000000, -0.0006103800000000 ] - [ -0.0003090100000000, -0.0000895800000000, 0.0000087700000000 ] - [ -0.0008943100000000, 0.0008471800000000, -0.0008000800000000 ] - [ 0.0003033200000000, -0.0001168600000000, -0.0009761900000000 ] - [ 0.0000696100000000, -0.0000111100000000, -0.0000182700000000 ] - [ 0.0002105700000000, -0.0003388900000000, 0.0019441600000000 ] - [ -0.0001272300000000, -0.0001037000000000, -0.0003414100000000 ] - [ -0.0000046300000000, 0.0000582500000000, 0.0003211400000000 ] - [ 0.0003313000000000, -0.0004524800000000, -0.0004048700000000 ] - [ 0.0001798800000000, -0.0001110700000000, -0.0000129800000000 ] - [ 0.0002217000000000, -0.0006818100000000, 0.0005004700000000 ] - [ 0.0012148600000000, 0.0015574500000000, -0.0006652100000000 ] - [ 0.0001784000000000, -0.0001983200000000, -0.0000827500000000 ] - [ -0.0001404700000000, 0.0004098400000000, 0.0002468400000000 ] - [ -0.0001192700000000, -0.0000139600000000, 0.0003615700000000 ] - [ -0.0000253300000000, -0.0001124100000000, -0.0000132600000000 ] - [ 0.0002398300000000, 0.0001646400000000, 0.0004621600000000 ] - [ 0.0001567900000000, -0.0000264500000000, -0.0005594900000000 ] - [ 0.0002743200000000, 0.0007181600000000, -0.0008002900000000 ] - [ 0.0016454900000000, 0.0032401500000000, -0.0049854100000000 ] - [ 0.0001222500000000, 0.0000480500000000, -0.0005116500000000 ] - [ -0.0001661200000000, 0.0007692600000000, -0.0004474300000000 ] - [ -0.0003108400000000, -0.0001137300000000, 0.0001591100000000 ] - [ 0.0000096600000000, 0.0002691700000000, -0.0010346500000000 ] - [ 0.0000058600000000, -0.0004986200000000, -0.0004146700000000 ] - [ -0.0049635300000000, 0.0000169000000000, -0.0029606400000000 ] - [ -0.0000032300000000, -0.0000194600000000, -0.0008295700000000 ] - [ -0.0001306300000000, -0.0003572600000000, -0.0004816900000000 ] - [ -0.0001657400000000, 0.0003525700000000, -0.0006659200000000 ] - [ 0.0009600300000000, -0.0009045800000000, -0.0002272800000000 ] - [ 0.0006136700000000, 0.0019787400000000, 0.0005045500000000 ] - [ -0.0004475200000000, 0.0001986200000000, 0.0007264400000000 ] - [ -0.0258702800000000, -0.0257882900000000, -0.0416027200000000 ] - [ -0.0005942300000000, -0.0004070500000000, -0.0002918800000000 ] - [ -0.0006816800000000, -0.0000352100000000, -0.0010023000000000 ] - [ 0.0002311800000000, -0.0002267300000000, 0.0011456200000000 ] - [ -0.0005854200000000, 0.0002795800000000, 0.0003936900000000 ] - [ 0.0010740900000000, -0.0009121900000000, 0.0005934000000000 ] - [ 0.0005770900000000, 0.0006059900000000, 0.0006359200000000 ] - [ -0.0006044100000000, -0.0002552000000000, 0.0004431100000000 ] - [ 0.0004087800000000, 0.0001364900000000, 0.0004751700000000 ] - [ 0.0000147700000000, -0.0004802000000000, 0.0008139200000000 ] - [ -0.0022577800000000, -0.0004677800000000, 0.0001173400000000 ] - [ 0.0005020200000000, -0.0000826900000000, -0.0005691700000000 ]- atom: 39 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001151100000000, -0.0004430100000000, 0.0000334400000000 ] - [ 0.0005177500000000, 0.0000812900000000, -0.0001195900000000 ] - [ 0.0003442100000000, -0.0002201500000000, -0.0006566400000000 ] - [ -0.0004509300000000, 0.0000144000000000, -0.0001603600000000 ] - [ 0.0004551400000000, -0.0001893300000000, -0.0000249600000000 ] - [ 0.0001451700000000, 0.0000195300000000, 0.0000473300000000 ] - [ -0.0001945600000000, 0.0003472800000000, -0.0000052000000000 ] - [ -0.0008497700000000, 0.0007232900000000, 0.0001443000000000 ] - [ 0.0003740200000000, -0.0004115400000000, 0.0008843400000000 ] - [ -0.0002529200000000, 0.0003004200000000, -0.0000322900000000 ] - [ 0.0006183800000000, -0.0005052800000000, 0.0007750300000000 ] - [ 0.0014118900000000, 0.0004044200000000, 0.0005399900000000 ] - [ -0.0003294300000000, 0.0000935600000000, 0.0000121100000000 ] - [ -0.0003323600000000, 0.0000138100000000, -0.0001109000000000 ] - [ -0.0004947500000000, -0.0004431900000000, 0.0003363100000000 ] - [ -0.0012640000000000, -0.0005920800000000, -0.0004870100000000 ] - [ -0.0010392100000000, 0.0003628300000000, -0.0009105600000000 ] - [ -0.0003991600000000, -0.0000656600000000, -0.0001528800000000 ] - [ 0.0000359500000000, 0.0000786200000000, -0.0001918000000000 ] - [ 0.0003019100000000, 0.0001519400000000, -0.0002986000000000 ] - [ -0.0002073600000000, 0.0001195300000000, 0.0003276300000000 ] - [ 0.0050247800000000, -0.0014235400000000, -0.0018052600000000 ] - [ 0.0000311500000000, -0.0001685200000000, -0.0000675500000000 ] - [ -0.0005592300000000, 0.0002619400000000, 0.0001693100000000 ] - [ 0.0009983300000000, 0.0006498200000000, 0.0002743300000000 ] - [ 0.0001849600000000, -0.0001357000000000, -0.0005751800000000 ] - [ 0.0006294200000000, -0.0000606800000000, -0.0002739500000000 ] - [ 0.0003831000000000, -0.0003177600000000, -0.0002469500000000 ] - [ 0.0000381500000000, 0.0002804600000000, -0.0000956900000000 ] - [ 0.0050384300000000, 0.0031215900000000, 0.0018085800000000 ] - [ -0.0020033300000000, 0.0002158400000000, 0.0002721800000000 ] - [ -0.0014895700000000, 0.0004469100000000, -0.0004176100000000 ] - [ 0.0002552700000000, 0.0001166800000000, -0.0000717200000000 ] - [ 0.0234377500000000, 0.0154121300000000, 0.0051336000000000 ] - [ -0.0003104900000000, 0.0000574300000000, 0.0002154000000000 ] - [ -0.0000758800000000, -0.0000396800000000, -0.0001592900000000 ] - [ -0.0000518900000000, -0.0000718400000000, -0.0001480400000000 ] - [ 0.0003281500000000, -0.0001071900000000, 0.0000235800000000 ] - [ -0.0708959600000000, 0.0060275200000000, -0.0304806100000000 ] - [ 0.0001898500000000, -0.0000977500000000, 0.0003133100000000 ] - [ -0.0020232400000000, 0.0004202400000000, -0.0007847400000000 ] - [ 0.0003130800000000, 0.0001469800000000, 0.0000352300000000 ] - [ 0.0001977900000000, -0.0000704100000000, 0.0003217800000000 ] - [ -0.0000469400000000, -0.0000894100000000, -0.0004643700000000 ] - [ -0.0001590200000000, 0.0000345800000000, 0.0001182000000000 ] - [ 0.0055043600000000, -0.0051797800000000, 0.0049825600000000 ] - [ 0.0002381300000000, 0.0002505600000000, 0.0001620800000000 ] - [ 0.0018922900000000, 0.0007679500000000, 0.0005639600000000 ] - [ -0.0005327700000000, -0.0004111400000000, -0.0004123200000000 ] - [ -0.0000959800000000, -0.0001591300000000, 0.0003488500000000 ] - [ -0.0005636900000000, 0.0001330800000000, -0.0001331400000000 ] - [ 0.0010772500000000, -0.0000216300000000, -0.0009482800000000 ] - [ 0.0001978000000000, -0.0001118300000000, -0.0001413600000000 ] - [ 0.0002159400000000, 0.0002413300000000, -0.0003022100000000 ] - [ 0.0001998300000000, 0.0002075600000000, 0.0005296900000000 ] - [ 0.0003999700000000, -0.0001973000000000, 0.0001066800000000 ] - [ 0.0001467400000000, 0.0006871600000000, 0.0009087400000000 ] - [ -0.0000520200000000, 0.0000262100000000, -0.0001785900000000 ] - [ -0.0002324400000000, -0.0000325500000000, 0.0004011300000000 ] - [ -0.0004245700000000, -0.0002085800000000, 0.0000560700000000 ] - [ -0.0002880900000000, 0.0003057500000000, 0.0003400900000000 ] - [ 0.0044044400000000, -0.0011777700000000, 0.0040592000000000 ] - [ 0.0006782200000000, -0.0008605100000000, -0.0011397400000000 ] - [ -0.0006402700000000, -0.0001101400000000, -0.0003151500000000 ] - [ -0.0002484400000000, -0.0000583600000000, -0.0000125300000000 ] - [ -0.0002920900000000, -0.0006353700000000, 0.0007811600000000 ] - [ -0.0001734000000000, -0.0000906700000000, -0.0002577800000000 ] - [ -0.0001866300000000, -0.0000996900000000, -0.0003514400000000 ] - [ 0.0023379400000000, 0.0015315000000000, -0.0019130000000000 ] - [ -0.0006268500000000, -0.0021494200000000, 0.0005828700000000 ] - [ 0.0001541200000000, -0.0001240300000000, 0.0001059200000000 ] - [ -0.0002675500000000, 0.0001867500000000, -0.0002536500000000 ] - [ 0.0002906700000000, -0.0001490700000000, 0.0000048600000000 ] - [ -0.0008038500000000, 0.0000560900000000, -0.0000064300000000 ] - [ 0.0024025000000000, -0.0039703200000000, -0.0000431400000000 ] - [ 0.0004661800000000, -0.0000905400000000, -0.0002680500000000 ] - [ 0.0000016200000000, 0.0002199700000000, -0.0000913500000000 ] - [ 0.0001442700000000, -0.0002510200000000, 0.0001655300000000 ] - [ 0.0004386600000000, 0.0051601200000000, 0.0029817500000000 ] - [ -0.0001604700000000, 0.0001077500000000, 0.0000931500000000 ] - [ 0.0003309000000000, 0.0000582600000000, -0.0003497100000000 ] - [ 0.0006976800000000, -0.0006627300000000, 0.0002652100000000 ] - [ 0.0003529300000000, 0.0000765100000000, 0.0003736600000000 ] - [ -0.0001262100000000, 0.0000276100000000, -0.0001656400000000 ] - [ 0.0000648300000000, 0.0000913700000000, -0.0004034800000000 ] - [ 0.0003016900000000, 0.0004616600000000, 0.0002565200000000 ] - [ 0.0006118900000000, 0.0005289200000000, 0.0010437900000000 ] - [ -0.0008967300000000, 0.0001322200000000, 0.0010413300000000 ] - [ 0.0009392500000000, 0.0003013800000000, 0.0003283500000000 ] - [ 0.0008407900000000, 0.0004216800000000, -0.0002535900000000 ] - [ 0.0008640300000000, -0.0000689200000000, 0.0000465700000000 ] - [ 0.0007325500000000, -0.0001502100000000, -0.0004296100000000 ] - [ 0.0003683700000000, 0.0002406600000000, 0.0002171300000000 ] - [ 0.0003006900000000, 0.0001032100000000, -0.0000828700000000 ] - [ -0.0002787400000000, -0.0000266500000000, -0.0001705700000000 ] - [ 0.0003077200000000, 0.0000002100000000, -0.0000121400000000 ] - [ 0.0006296700000000, -0.0000554900000000, -0.0004580300000000 ] - [ 0.0001393900000000, -0.0003705000000000, 0.0006300500000000 ] - [ 0.0008083400000000, 0.0001762200000000, -0.0002153600000000 ] - [ 0.0003969600000000, 0.0002770900000000, 0.0002018200000000 ] - [ -0.0001113600000000, 0.0001918800000000, -0.0000989200000000 ] - [ 0.0241594500000000, -0.0201493900000000, 0.0159391000000000 ] - [ -0.0003886900000000, 0.0001698600000000, -0.0001389200000000 ] - [ 0.0002389800000000, -0.0002502200000000, 0.0001008100000000 ] - [ -0.0001423600000000, 0.0006573500000000, -0.0002375700000000 ] - [ -0.0009869400000000, -0.0003598100000000, -0.0002342700000000 ] - [ 0.0003143300000000, 0.0004533500000000, -0.0002781200000000 ] - [ -0.0004962100000000, -0.0004911800000000, 0.0002146500000000 ] - [ -0.0012767100000000, -0.0014166000000000, 0.0013665700000000 ] - [ -0.0001327500000000, -0.0003111000000000, -0.0002564100000000 ] - [ 0.0009596500000000, 0.0004081800000000, 0.0004207800000000 ] - [ -0.0009346600000000, -0.0000310000000000, 0.0006147300000000 ] - [ 0.0020168200000000, 0.0020393500000000, -0.0020838300000000 ] - [ -0.0022619200000000, -0.0010209300000000, -0.0008310800000000 ] - [ -0.0020447500000000, 0.0006773900000000, 0.0003819900000000 ] - [ 0.0003897500000000, -0.0003729300000000, -0.0001933000000000 ]- atom: 39 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001155100000000, -0.0002929000000000, -0.0000331600000000 ] - [ 0.0002162400000000, -0.0000812600000000, 0.0001201500000000 ] - [ -0.0003503600000000, 0.0009582000000000, 0.0006596900000000 ] - [ -0.0002841400000000, -0.0000145600000000, 0.0001596800000000 ] - [ -0.0004549300000000, -0.0005461000000000, 0.0000242600000000 ] - [ 0.0005903500000000, -0.0000186700000000, -0.0000471700000000 ] - [ 0.0001950800000000, 0.0003890000000000, 0.0000044100000000 ] - [ 0.0001150300000000, -0.0007259100000000, -0.0001347900000000 ] - [ -0.0003693300000000, 0.0004064200000000, -0.0006537900000000 ] - [ 0.0002536000000000, 0.0001927100000000, 0.0000335400000000 ] - [ -0.0001206400000000, 0.0005076100000000, -0.0007712600000000 ] - [ -0.0014150000000000, -0.0002071700000000, -0.0005405400000000 ] - [ -0.0001629700000000, -0.0000943500000000, -0.0000121500000000 ] - [ 0.0003321700000000, -0.0000112600000000, -0.0001163400000000 ] - [ 0.0006902500000000, 0.0004407200000000, -0.0003338900000000 ] - [ 0.0012660600000000, 0.0000999700000000, 0.0004833400000000 ] - [ 0.0010416100000000, -0.0003659700000000, 0.0006856200000000 ] - [ 0.0002039900000000, 0.0000661900000000, 0.0001528700000000 ] - [ -0.0000348000000000, -0.0000777000000000, 0.0004196700000000 ] - [ -0.0003079500000000, -0.0003445900000000, 0.0002940200000000 ] - [ 0.0002075200000000, -0.0001170100000000, -0.0001005700000000 ] - [ -0.0050570000000000, 0.0019510800000000, 0.0018967000000000 ] - [ 0.0004604600000000, 0.0001686100000000, 0.0000665500000000 ] - [ 0.0005593400000000, -0.0000647200000000, -0.0001672100000000 ] - [ -0.0014344400000000, -0.0007134800000000, -0.0002950200000000 ] - [ -0.0001846900000000, 0.0001347400000000, 0.0003476900000000 ] - [ -0.0004337700000000, 0.0000599800000000, 0.0002738300000000 ] - [ -0.0003841100000000, -0.0001733200000000, 0.0002472500000000 ] - [ -0.0000380900000000, -0.0002779500000000, -0.0001333400000000 ] - [ -0.0053230900000000, -0.0032766000000000, -0.0018785000000000 ] - [ 0.0020035400000000, -0.0002180000000000, -0.0000459300000000 ] - [ 0.0014920600000000, -0.0006438700000000, 0.0004169500000000 ] - [ -0.0002546300000000, -0.0001135300000000, 0.0000733900000000 ] - [ -0.0225071900000000, -0.0146685700000000, -0.0046645000000000 ] - [ 0.0003086400000000, -0.0000591900000000, -0.0002163400000000 ] - [ 0.0000758100000000, 0.0000403400000000, 0.0001594700000000 ] - [ -0.0000614900000000, -0.0000518600000000, -0.0001911600000000 ] - [ -0.0003438100000000, 0.0000730700000000, -0.0004710400000000 ] - [ 0.0702352900000000, -0.0073635800000000, 0.0305019300000000 ] - [ -0.0001264400000000, -0.0002886700000000, 0.0000873300000000 ] - [ 0.0018989200000000, -0.0005551600000000, 0.0004672000000000 ] - [ -0.0004609100000000, 0.0000038400000000, -0.0000389800000000 ] - [ -0.0002338000000000, 0.0000867100000000, 0.0001254100000000 ] - [ 0.0001967100000000, 0.0002365600000000, 0.0004616300000000 ] - [ 0.0001727300000000, -0.0000698200000000, 0.0003289600000000 ] - [ -0.0053037800000000, 0.0049872200000000, -0.0049514300000000 ] - [ -0.0003891000000000, -0.0001033000000000, -0.0001663000000000 ] - [ -0.0017193700000000, -0.0005976600000000, -0.0005475900000000 ] - [ 0.0005691300000000, 0.0004293600000000, -0.0000356700000000 ] - [ 0.0002214800000000, 0.0000474400000000, -0.0000096700000000 ] - [ 0.0004402200000000, -0.0000230500000000, 0.0004730300000000 ] - [ -0.0009467300000000, 0.0001343600000000, 0.0006037500000000 ] - [ -0.0000510600000000, -0.0000402000000000, 0.0001364600000000 ] - [ -0.0002023100000000, -0.0002071500000000, -0.0001445700000000 ] - [ -0.0003137900000000, -0.0000843500000000, -0.0001913500000000 ] - [ -0.0002861600000000, 0.0000733000000000, 0.0002310500000000 ] - [ 0.0002388600000000, -0.0007531400000000, -0.0005087000000000 ] - [ 0.0004362600000000, 0.0000372700000000, -0.0002197700000000 ] - [ 0.0002689800000000, 0.0000154700000000, 0.0000469100000000 ] - [ 0.0003608900000000, -0.0001803800000000, -0.0004553600000000 ] - [ 0.0002248600000000, 0.0000798900000000, 0.0000610100000000 ] - [ -0.0043896200000000, 0.0015671800000000, -0.0045295700000000 ] - [ -0.0010619500000000, 0.0007965000000000, 0.0007364100000000 ] - [ 0.0006106200000000, 0.0001568600000000, 0.0007766000000000 ] - [ 0.0000958900000000, -0.0000928300000000, 0.0000160100000000 ] - [ -0.0000943500000000, 0.0006991300000000, -0.0003786900000000 ] - [ 0.0002866700000000, 0.0002167900000000, -0.0000791300000000 ] - [ 0.0001505800000000, 0.0000816600000000, -0.0000971400000000 ] - [ -0.0024729100000000, -0.0016747000000000, 0.0015944600000000 ] - [ 0.0005974000000000, 0.0021089800000000, -0.0010288600000000 ] - [ -0.0003027700000000, -0.0000278500000000, -0.0001022000000000 ] - [ 0.0003308100000000, -0.0005754400000000, 0.0006549300000000 ] - [ -0.0004146800000000, 0.0000356300000000, -0.0003432200000000 ] - [ 0.0006566200000000, 0.0000919500000000, 0.0000009900000000 ] - [ -0.0024604600000000, 0.0040472200000000, 0.0004885600000000 ] - [ -0.0003124900000000, 0.0002354600000000, 0.0002718600000000 ] - [ 0.0000154700000000, -0.0002558100000000, 0.0005395800000000 ] - [ 0.0000088700000000, 0.0001026600000000, -0.0001684100000000 ] - [ -0.0006045900000000, -0.0050065200000000, -0.0029893700000000 ] - [ 0.0003088400000000, 0.0000418200000000, -0.0000893200000000 ] - [ -0.0002953500000000, -0.0000430000000000, -0.0000981900000000 ] - [ -0.0005714700000000, 0.0005485500000000, 0.0000782800000000 ] - [ -0.0004778000000000, 0.0000360800000000, -0.0000349400000000 ] - [ 0.0002509000000000, 0.0000844900000000, -0.0001737300000000 ] - [ 0.0000839800000000, -0.0002397400000000, 0.0003976900000000 ] - [ -0.0002856700000000, -0.0004288500000000, -0.0007069500000000 ] - [ -0.0007257200000000, -0.0004043800000000, -0.0007064000000000 ] - [ 0.0010062400000000, -0.0002539700000000, -0.0007025300000000 ] - [ -0.0005535000000000, -0.0003668200000000, 0.0000726500000000 ] - [ -0.0004571300000000, -0.0003626500000000, -0.0001481500000000 ] - [ -0.0008279300000000, 0.0000534400000000, 0.0004012200000000 ] - [ -0.0007961800000000, -0.0002353100000000, 0.0000281700000000 ] - [ -0.0004324300000000, 0.0001443000000000, 0.0001842400000000 ] - [ -0.0002367900000000, 0.0002824200000000, -0.0003178700000000 ] - [ -0.0001105800000000, -0.0000375300000000, -0.0002296300000000 ] - [ -0.0003232400000000, 0.0000355800000000, 0.0004590500000000 ] - [ -0.0007840100000000, -0.0000899600000000, 0.0004684300000000 ] - [ -0.0005237800000000, 0.0004357200000000, -0.0002281700000000 ] - [ -0.0006946700000000, -0.0000516900000000, -0.0001229100000000 ] - [ -0.0004351900000000, -0.0002942400000000, -0.0006498300000000 ] - [ -0.0006308500000000, 0.0002139400000000, -0.0001681700000000 ] - [ -0.0240493900000000, 0.0200291500000000, -0.0167289300000000 ] - [ 0.0007970900000000, 0.0005753900000000, 0.0004068600000000 ] - [ -0.0006478200000000, -0.0004950200000000, 0.0001680800000000 ] - [ 0.0008859600000000, -0.0002515200000000, 0.0005058800000000 ] - [ 0.0002439900000000, -0.0000474100000000, 0.0005045500000000 ] - [ -0.0007179800000000, 0.0002930100000000, 0.0000090700000000 ] - [ 0.0012399000000000, 0.0000838500000000, -0.0004839400000000 ] - [ 0.0005287600000000, 0.0018324000000000, -0.0016424400000000 ] - [ 0.0005384100000000, -0.0004333800000000, -0.0000119900000000 ] - [ -0.0005524700000000, 0.0003404100000000, -0.0001506800000000 ] - [ 0.0005265100000000, -0.0007103300000000, -0.0003438300000000 ] - [ -0.0012758400000000, -0.0016285000000000, 0.0023447800000000 ] - [ 0.0015269000000000, 0.0006171700000000, 0.0011052300000000 ] - [ 0.0016296700000000, 0.0000638500000000, -0.0006519400000000 ] - [ 0.0003638200000000, -0.0000392200000000, -0.0000740900000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000349900000000, -0.0002784500000000, 0.0000291700000000 ] - [ 0.0005788600000000, -0.0000619400000000, -0.0000668700000000 ] - [ -0.0001749800000000, 0.0005521700000000, -0.0002385100000000 ] - [ -0.0002461600000000, 0.0000075200000000, 0.0000271000000000 ] - [ -0.0003069900000000, -0.0005835800000000, 0.0002085500000000 ] - [ 0.0003285400000000, 0.0000206100000000, -0.0000283300000000 ] - [ -0.0000500200000000, 0.0002286100000000, 0.0000140300000000 ] - [ -0.0000995500000000, -0.0006707400000000, -0.0001112100000000 ] - [ -0.0006007900000000, 0.0013397300000000, 0.0005469100000000 ] - [ 0.0000729700000000, -0.0000466500000000, -0.0000241500000000 ] - [ -0.0005795600000000, -0.0010202300000000, -0.0000668800000000 ] - [ 0.0004233300000000, -0.0007019900000000, -0.0007183700000000 ] - [ -0.0001908300000000, -0.0000597400000000, -0.0000789800000000 ] - [ -0.0000942400000000, -0.0005660900000000, 0.0000136500000000 ] - [ 0.0000423200000000, -0.0001802500000000, 0.0001960000000000 ] - [ 0.0000550700000000, 0.0004829700000000, -0.0001205300000000 ] - [ -0.0000315700000000, 0.0003875800000000, -0.0001850400000000 ] - [ -0.0002053400000000, -0.0000898700000000, -0.0001079000000000 ] - [ 0.0000394300000000, -0.0005499400000000, -0.0000218700000000 ] - [ 0.0007692100000000, -0.0007712000000000, 0.0007545000000000 ] - [ 0.0000242000000000, -0.0004998800000000, 0.0000689800000000 ] - [ -0.0022867700000000, 0.0041457300000000, 0.0025647100000000 ] - [ 0.0003035800000000, 0.0000650300000000, 0.0000311800000000 ] - [ 0.0002148600000000, 0.0001241800000000, -0.0000267600000000 ] - [ 0.0003221500000000, 0.0000249800000000, 0.0003650300000000 ] - [ 0.0000745800000000, 0.0006306600000000, -0.0000950100000000 ] - [ -0.0001832400000000, 0.0000294500000000, 0.0000444700000000 ] - [ -0.0000031600000000, -0.0007932400000000, -0.0000943900000000 ] - [ 0.0000469300000000, -0.0010046000000000, 0.0001187300000000 ] - [ 0.0030935200000000, 0.0040559500000000, 0.0009204300000000 ] - [ 0.0004970400000000, 0.0010721100000000, 0.0003785500000000 ] - [ 0.0004101300000000, -0.0002745000000000, 0.0002002800000000 ] - [ 0.0000313700000000, -0.0006604700000000, -0.0001985200000000 ] - [ 0.0176961100000000, 0.0125222200000000, 0.0043806700000000 ] - [ 0.0002051100000000, 0.0003888300000000, 0.0000357300000000 ] - [ 0.0000372300000000, -0.0002793700000000, -0.0000055200000000 ] - [ 0.0000545200000000, 0.0001334200000000, -0.0002106600000000 ] - [ -0.0001639000000000, -0.0000270200000000, -0.0003675800000000 ] - [ 0.0069125000000000, -0.0714585200000000, 0.0113163700000000 ] - [ 0.0000590900000000, -0.0004399800000000, 0.0001441000000000 ] - [ -0.0008188800000000, 0.0029621500000000, -0.0040676200000000 ] - [ -0.0001446900000000, -0.0001543500000000, 0.0000057200000000 ] - [ -0.0000855800000000, 0.0002651300000000, 0.0002801600000000 ] - [ -0.0001285900000000, 0.0004622000000000, 0.0004927300000000 ] - [ 0.0002730100000000, 0.0000190700000000, 0.0001010000000000 ] - [ -0.0023167300000000, 0.0004745800000000, -0.0015807100000000 ] - [ 0.0000738300000000, 0.0001410900000000, 0.0001753300000000 ] - [ 0.0007574700000000, -0.0003207300000000, 0.0004047900000000 ] - [ -0.0000083400000000, -0.0003598200000000, 0.0000025900000000 ] - [ -0.0000117800000000, -0.0002663300000000, 0.0001318400000000 ] - [ -0.0001912400000000, 0.0007450300000000, 0.0000591500000000 ] - [ -0.0003540500000000, -0.0006007800000000, -0.0000372300000000 ] - [ 0.0001096500000000, 0.0003127000000000, -0.0000225200000000 ] - [ 0.0004730800000000, 0.0005157000000000, -0.0002413900000000 ] - [ 0.0003794400000000, -0.0001077400000000, 0.0004895000000000 ] - [ -0.0000235800000000, 0.0001296900000000, 0.0001359200000000 ] - [ 0.0004718500000000, 0.0010645500000000, 0.0009637300000000 ] - [ 0.0004699900000000, 0.0001839600000000, -0.0006585900000000 ] - [ -0.0000373000000000, 0.0003702400000000, 0.0001709800000000 ] - [ 0.0000358200000000, 0.0001895100000000, -0.0003854300000000 ] - [ 0.0001184100000000, -0.0001953000000000, 0.0002937500000000 ] - [ 0.0011690100000000, -0.0017275200000000, 0.0008305000000000 ] - [ -0.0009814500000000, 0.0008817100000000, 0.0005281500000000 ] - [ -0.0011694200000000, 0.0008212700000000, 0.0023506400000000 ] - [ 0.0000914600000000, 0.0006336200000000, -0.0000231800000000 ] - [ -0.0003475500000000, 0.0002575100000000, -0.0000818700000000 ] - [ 0.0001247300000000, 0.0005816500000000, 0.0003119300000000 ] - [ 0.0000424300000000, 0.0004979300000000, -0.0000423100000000 ] - [ 0.0012742500000000, -0.0001852400000000, -0.0010640000000000 ] - [ -0.0006909500000000, 0.0029153600000000, -0.0023107800000000 ] - [ -0.0001216500000000, 0.0001274400000000, 0.0000227700000000 ] - [ 0.0001823900000000, 0.0007127400000000, 0.0000130200000000 ] - [ -0.0001221800000000, 0.0001401200000000, -0.0002256700000000 ] - [ -0.0000548700000000, 0.0010823500000000, 0.0001768400000000 ] - [ -0.0042362500000000, 0.0023530200000000, 0.0000923900000000 ] - [ -0.0001279300000000, -0.0000498300000000, 0.0003388800000000 ] - [ 0.0000461900000000, 0.0001199400000000, 0.0001280400000000 ] - [ -0.0000747400000000, 0.0002406300000000, -0.0000835000000000 ] - [ 0.0023185000000000, 0.0054858600000000, 0.0040820400000000 ] - [ 0.0001063200000000, 0.0003275000000000, 0.0000209900000000 ] - [ -0.0000692900000000, 0.0001943100000000, -0.0002278000000000 ] - [ -0.0004334100000000, 0.0006472000000000, -0.0001376200000000 ] - [ -0.0001287000000000, -0.0000767000000000, 0.0001518700000000 ] - [ 0.0000586000000000, 0.0003441000000000, -0.0000296600000000 ] - [ -0.0000923500000000, -0.0005262800000000, 0.0003484700000000 ] - [ -0.0000151200000000, -0.0001458000000000, -0.0001483200000000 ] - [ 0.0007913400000000, 0.0005613300000000, 0.0013255900000000 ] - [ 0.0002840000000000, -0.0003500600000000, -0.0006312000000000 ] - [ 0.0002287300000000, -0.0001884500000000, 0.0001479600000000 ] - [ 0.0002499000000000, 0.0002360400000000, -0.0001912800000000 ] - [ -0.0001214500000000, -0.0003413300000000, 0.0003776500000000 ] - [ -0.0000631300000000, -0.0004596500000000, -0.0002393000000000 ] - [ -0.0000524300000000, 0.0005588300000000, 0.0000632800000000 ] - [ 0.0000276300000000, 0.0004418800000000, -0.0001264100000000 ] - [ -0.0006079500000000, -0.0002968900000000, 0.0000726400000000 ] - [ -0.0001839400000000, 0.0000779300000000, 0.0003878300000000 ] - [ 0.0000900000000000, -0.0002452600000000, -0.0003225100000000 ] - [ -0.0004810200000000, 0.0002261300000000, -0.0000922700000000 ] - [ -0.0001695300000000, -0.0000139800000000, -0.0000781200000000 ] - [ -0.0001431600000000, -0.0004237100000000, -0.0003063300000000 ] - [ -0.0006807200000000, -0.0001449800000000, -0.0000264200000000 ] - [ -0.0214301100000000, 0.0369568400000000, -0.0217704100000000 ] - [ 0.0003112700000000, 0.0008452000000000, 0.0002232800000000 ] - [ -0.0003750600000000, 0.0001051400000000, -0.0000999800000000 ] - [ 0.0006480600000000, -0.0001914100000000, 0.0003083700000000 ] - [ -0.0007728000000000, 0.0003340000000000, -0.0001952900000000 ] - [ -0.0003443700000000, -0.0001400700000000, -0.0001053200000000 ] - [ 0.0009800100000000, -0.0000991300000000, -0.0006333100000000 ] - [ -0.0006653800000000, -0.0004728900000000, 0.0005066200000000 ] - [ 0.0002098300000000, -0.0007314500000000, -0.0002187600000000 ] - [ 0.0001766800000000, -0.0007692300000000, 0.0001187900000000 ] - [ 0.0001602600000000, -0.0010581100000000, -0.0001041100000000 ] - [ 0.0009724700000000, -0.0003353500000000, 0.0018072800000000 ] - [ -0.0030143700000000, -0.0010039400000000, -0.0010664500000000 ] - [ -0.0002011000000000, 0.0012801300000000, 0.0002358000000000 ] - [ 0.0013459500000000, -0.0010344800000000, -0.0006952000000000 ]- atom: 39 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000345100000000, -0.0004564400000000, -0.0000295600000000 ] - [ 0.0001575400000000, 0.0000622900000000, 0.0000678900000000 ] - [ 0.0001738600000000, 0.0001821000000000, 0.0002391900000000 ] - [ -0.0004885100000000, -0.0000068600000000, -0.0000255900000000 ] - [ 0.0003082300000000, -0.0001533100000000, -0.0002087300000000 ] - [ 0.0004064200000000, -0.0000204000000000, 0.0000278700000000 ] - [ 0.0000502000000000, 0.0005073300000000, -0.0000145300000000 ] - [ -0.0006374100000000, 0.0006668600000000, 0.0001205300000000 ] - [ 0.0005953300000000, -0.0013357100000000, -0.0003203000000000 ] - [ -0.0000737200000000, 0.0005389400000000, 0.0000254500000000 ] - [ 0.0010685900000000, 0.0010212700000000, 0.0000593000000000 ] - [ -0.0004249600000000, 0.0009004800000000, 0.0007185800000000 ] - [ -0.0003005300000000, 0.0000587400000000, 0.0000796600000000 ] - [ 0.0000967800000000, 0.0005690700000000, -0.0002426600000000 ] - [ 0.0001552600000000, 0.0001826300000000, -0.0001967900000000 ] - [ -0.0000511300000000, -0.0009742000000000, 0.0001230600000000 ] - [ 0.0000308200000000, -0.0003870800000000, -0.0000442600000000 ] - [ 0.0000081600000000, 0.0000905500000000, 0.0001087000000000 ] - [ -0.0000395800000000, 0.0005489600000000, 0.0002519600000000 ] - [ -0.0007637400000000, 0.0005705100000000, -0.0007507500000000 ] - [ -0.0000237400000000, 0.0005012100000000, 0.0001585800000000 ] - [ 0.0022675700000000, -0.0036721800000000, -0.0025429000000000 ] - [ 0.0001875900000000, -0.0000656800000000, -0.0000310900000000 ] - [ -0.0002161800000000, 0.0000715200000000, 0.0000262900000000 ] - [ -0.0007509200000000, -0.0000848800000000, -0.0003996100000000 ] - [ -0.0000740700000000, -0.0006304700000000, -0.0001286000000000 ] - [ 0.0003804800000000, -0.0000311100000000, -0.0000420800000000 ] - [ 0.0000030500000000, 0.0003038000000000, 0.0000966800000000 ] - [ -0.0000463100000000, 0.0010010900000000, -0.0003471800000000 ] - [ -0.0034634000000000, -0.0042122300000000, -0.0010014500000000 ] - [ -0.0004955400000000, -0.0010698000000000, -0.0001473100000000 ] - [ -0.0004048900000000, 0.0000748800000000, -0.0001991200000000 ] - [ -0.0000337600000000, 0.0006628500000000, 0.0001984100000000 ] - [ -0.0172723200000000, -0.0124739400000000, -0.0042220500000000 ] - [ -0.0002056900000000, -0.0003887800000000, -0.0000357500000000 ] - [ -0.0000366100000000, 0.0002793000000000, 0.0000067900000000 ] - [ -0.0001657000000000, -0.0002561800000000, -0.0001287900000000 ] - [ 0.0001471100000000, -0.0000092400000000, -0.0000802100000000 ] - [ -0.0064885200000000, 0.0706879400000000, -0.0105130700000000 ] - [ 0.0000059700000000, 0.0000545700000000, 0.0002558300000000 ] - [ 0.0007028800000000, -0.0030265900000000, 0.0036592500000000 ] - [ -0.0000020100000000, 0.0003033600000000, -0.0000105500000000 ] - [ 0.0000491900000000, -0.0002482400000000, 0.0001666800000000 ] - [ 0.0002796300000000, -0.0003161000000000, -0.0004936700000000 ] - [ -0.0002542200000000, -0.0000553900000000, 0.0003478000000000 ] - [ 0.0024547000000000, -0.0005688200000000, 0.0015607200000000 ] - [ -0.0002257000000000, 0.0000062400000000, -0.0001813000000000 ] - [ -0.0006074800000000, 0.0004716000000000, -0.0004001100000000 ] - [ 0.0000431100000000, 0.0003760900000000, -0.0004548000000000 ] - [ 0.0001353200000000, 0.0001537000000000, 0.0002060300000000 ] - [ 0.0000688200000000, -0.0006365300000000, 0.0002823100000000 ] - [ 0.0004781300000000, 0.0007181400000000, -0.0002978100000000 ] - [ 0.0000388400000000, -0.0004628700000000, 0.0000189000000000 ] - [ -0.0004550500000000, -0.0004804900000000, -0.0002064800000000 ] - [ -0.0004914700000000, 0.0002302300000000, -0.0001530300000000 ] - [ 0.0001357700000000, -0.0002540300000000, 0.0002026500000000 ] - [ -0.0000871200000000, -0.0011255100000000, -0.0005592700000000 ] - [ -0.0000846400000000, -0.0001193200000000, 0.0002524800000000 ] - [ 0.0000730600000000, -0.0003872900000000, 0.0002750300000000 ] - [ -0.0000992200000000, -0.0005736600000000, -0.0000175200000000 ] - [ -0.0001836000000000, 0.0005809500000000, 0.0001052300000000 ] - [ -0.0011018600000000, 0.0021116700000000, -0.0012315400000000 ] - [ 0.0006005800000000, -0.0009469000000000, -0.0009322000000000 ] - [ 0.0011565600000000, -0.0007841700000000, -0.0019092300000000 ] - [ -0.0002397800000000, -0.0007805000000000, 0.0000275400000000 ] - [ -0.0000365600000000, -0.0001882500000000, 0.0004783300000000 ] - [ -0.0000135800000000, -0.0004601300000000, -0.0006532000000000 ] - [ -0.0000807800000000, -0.0005174600000000, -0.0004051900000000 ] - [ -0.0013902100000000, 0.0000677000000000, 0.0007298300000000 ] - [ 0.0006801200000000, -0.0029818200000000, 0.0018832200000000 ] - [ -0.0000262100000000, -0.0002782000000000, -0.0000192200000000 ] - [ -0.0001184600000000, -0.0011030900000000, 0.0003921500000000 ] - [ -0.0000015300000000, -0.0002513600000000, -0.0001143200000000 ] - [ -0.0000910400000000, -0.0009372900000000, -0.0001813500000000 ] - [ 0.0041302400000000, -0.0022913400000000, 0.0003571800000000 ] - [ 0.0002801600000000, 0.0001942800000000, -0.0003338700000000 ] - [ -0.0000280800000000, -0.0001566700000000, 0.0003202200000000 ] - [ 0.0002247600000000, -0.0003871500000000, 0.0000795100000000 ] - [ -0.0024533500000000, -0.0053216800000000, -0.0040590100000000 ] - [ 0.0000411800000000, -0.0001778600000000, -0.0000180800000000 ] - [ 0.0001059200000000, -0.0001773600000000, -0.0002197900000000 ] - [ 0.0005580100000000, -0.0007606000000000, 0.0004830400000000 ] - [ 0.0000049900000000, 0.0001890100000000, 0.0001866000000000 ] - [ 0.0000654300000000, -0.0002325500000000, -0.0003104600000000 ] - [ 0.0002391700000000, 0.0003776600000000, -0.0003543300000000 ] - [ 0.0000320600000000, 0.0001838600000000, -0.0003003000000000 ] - [ -0.0009130300000000, -0.0004430100000000, -0.0010007500000000 ] - [ -0.0001699900000000, 0.0002293900000000, 0.0009667400000000 ] - [ 0.0001574800000000, 0.0001270600000000, 0.0002544200000000 ] - [ 0.0001330200000000, -0.0001719200000000, -0.0002096000000000 ] - [ 0.0001555500000000, 0.0003243900000000, 0.0000709600000000 ] - [ -0.0000023900000000, 0.0000740700000000, -0.0001601700000000 ] - [ -0.0000112800000000, -0.0001742800000000, 0.0003391200000000 ] - [ 0.0000362700000000, -0.0000568200000000, -0.0002752200000000 ] - [ 0.0002275400000000, 0.0002339900000000, -0.0004774400000000 ] - [ 0.0001680500000000, -0.0000415900000000, 0.0000589000000000 ] - [ -0.0002412400000000, 0.0000987600000000, 0.0003278300000000 ] - [ 0.0000960800000000, -0.0001614000000000, 0.0004940400000000 ] - [ 0.0002798300000000, 0.0001371000000000, -0.0002597200000000 ] - [ 0.0001072800000000, 0.0004060700000000, -0.0001436900000000 ] - [ -0.0000699000000000, 0.0005492000000000, -0.0002377300000000 ] - [ 0.0210237400000000, -0.0370293400000000, 0.0206819500000000 ] - [ 0.0000904500000000, -0.0000962200000000, 0.0000430200000000 ] - [ -0.0000324400000000, -0.0008511100000000, 0.0003711500000000 ] - [ 0.0000997000000000, 0.0005952000000000, -0.0000424000000000 ] - [ 0.0000339800000000, -0.0007514000000000, 0.0004689400000000 ] - [ -0.0000609800000000, 0.0008858000000000, -0.0001603800000000 ] - [ -0.0002356100000000, -0.0003106700000000, 0.0003638800000000 ] - [ -0.0000758800000000, 0.0008852200000000, -0.0007795700000000 ] - [ 0.0001958600000000, -0.0000151300000000, -0.0000471900000000 ] - [ 0.0002259600000000, 0.0015215000000000, 0.0001446400000000 ] - [ -0.0005697800000000, 0.0003150300000000, 0.0003725300000000 ] - [ -0.0002420500000000, 0.0007414700000000, -0.0015339600000000 ] - [ 0.0022692200000000, 0.0006057500000000, 0.0013415100000000 ] - [ -0.0001982200000000, -0.0005391700000000, -0.0005089000000000 ] - [ -0.0006041600000000, 0.0006284200000000, 0.0004265900000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000337800000000, -0.0004540900000000, -0.0000510700000000 ] - [ 0.0002490000000000, -0.0001053200000000, -0.0003498100000000 ] - [ -0.0002436900000000, 0.0002334400000000, -0.0008466600000000 ] - [ -0.0003434400000000, 0.0000343100000000, -0.0002803500000000 ] - [ 0.0002184800000000, -0.0001789300000000, -0.0000310700000000 ] - [ 0.0003198300000000, -0.0000223700000000, 0.0001708700000000 ] - [ -0.0000698800000000, 0.0002956100000000, 0.0000191500000000 ] - [ -0.0002515900000000, -0.0001830400000000, 0.0003106100000000 ] - [ 0.0009520800000000, -0.0000325300000000, -0.0010555200000000 ] - [ 0.0000490900000000, 0.0002034000000000, -0.0000690000000000 ] - [ 0.0008224200000000, 0.0004644900000000, 0.0016339300000000 ] - [ 0.0007015100000000, -0.0004139500000000, -0.0000920800000000 ] - [ -0.0002353500000000, -0.0000286200000000, -0.0002749600000000 ] - [ -0.0001061100000000, -0.0000707400000000, 0.0001291700000000 ] - [ 0.0000369100000000, 0.0000176300000000, 0.0002851700000000 ] - [ -0.0004805600000000, -0.0005006100000000, 0.0000303900000000 ] - [ -0.0007006800000000, 0.0003575800000000, -0.0009026500000000 ] - [ -0.0001683200000000, -0.0000823700000000, -0.0002958300000000 ] - [ 0.0000731600000000, -0.0001665300000000, -0.0004297600000000 ] - [ -0.0008370700000000, 0.0005705300000000, -0.0008905800000000 ] - [ -0.0000582200000000, 0.0000168200000000, 0.0001436700000000 ] - [ -0.0025434700000000, 0.0024309800000000, 0.0052954700000000 ] - [ 0.0002687100000000, 0.0000541200000000, -0.0003107500000000 ] - [ 0.0000597900000000, 0.0000296100000000, -0.0001285500000000 ] - [ -0.0007031500000000, 0.0006467700000000, 0.0027013700000000 ] - [ -0.0002082100000000, -0.0001019500000000, -0.0008781000000000 ] - [ 0.0002124500000000, 0.0003884000000000, -0.0007705900000000 ] - [ -0.0001355600000000, -0.0004155300000000, -0.0000292400000000 ] - [ -0.0000901000000000, 0.0000334900000000, -0.0000340100000000 ] - [ 0.0024033000000000, 0.0019263200000000, 0.0020855900000000 ] - [ -0.0006083400000000, 0.0003384200000000, 0.0010551900000000 ] - [ -0.0005709800000000, 0.0002868000000000, -0.0001553500000000 ] - [ 0.0001336600000000, -0.0000057200000000, 0.0002758100000000 ] - [ 0.0094171900000000, 0.0057398700000000, 0.0033107600000000 ] - [ 0.0002770800000000, -0.0000389800000000, -0.0000177100000000 ] - [ -0.0000209700000000, -0.0000119700000000, -0.0001455600000000 ] - [ -0.0001572400000000, -0.0001131800000000, 0.0000037200000000 ] - [ 0.0000466900000000, -0.0000926400000000, -0.0001275600000000 ] - [ -0.0302546000000000, 0.0104900600000000, -0.0476496900000000 ] - [ -0.0000416100000000, -0.0001990200000000, 0.0005183000000000 ] - [ 0.0003170800000000, -0.0049872200000000, 0.0023721600000000 ] - [ -0.0001114900000000, 0.0000828800000000, 0.0001597100000000 ] - [ 0.0000065500000000, 0.0000695400000000, 0.0004683900000000 ] - [ -0.0002604700000000, 0.0003445400000000, -0.0001217700000000 ] - [ -0.0002522700000000, -0.0001470400000000, 0.0003052300000000 ] - [ 0.0041624600000000, -0.0030670000000000, 0.0022215600000000 ] - [ 0.0000062400000000, 0.0002414300000000, 0.0001590800000000 ] - [ -0.0004897000000000, -0.0003314700000000, -0.0000307500000000 ] - [ 0.0002662400000000, 0.0003129400000000, 0.0007541900000000 ] - [ 0.0000268700000000, 0.0000197700000000, 0.0006922000000000 ] - [ -0.0002566700000000, 0.0002077600000000, -0.0002796100000000 ] - [ -0.0003114000000000, 0.0000751600000000, -0.0004175500000000 ] - [ -0.0000642700000000, -0.0000541800000000, -0.0002483200000000 ] - [ 0.0004200700000000, 0.0002735200000000, -0.0005426800000000 ] - [ 0.0002790400000000, 0.0000908000000000, 0.0004663600000000 ] - [ 0.0001533500000000, -0.0001465900000000, 0.0001225300000000 ] - [ 0.0003511800000000, 0.0007678200000000, 0.0008688800000000 ] - [ 0.0000525700000000, -0.0000075900000000, 0.0004200000000000 ] - [ -0.0000087400000000, 0.0000226700000000, 0.0005627000000000 ] - [ -0.0001704700000000, -0.0001850100000000, 0.0001537400000000 ] - [ 0.0001441400000000, 0.0001146400000000, 0.0008258400000000 ] - [ 0.0048000700000000, -0.0009560000000000, 0.0020531000000000 ] - [ -0.0002843900000000, 0.0001483900000000, -0.0003077900000000 ] - [ -0.0021293800000000, 0.0021402300000000, 0.0030448100000000 ] - [ -0.0003998900000000, -0.0005369800000000, 0.0000553500000000 ] - [ -0.0000918600000000, -0.0004526900000000, 0.0005037600000000 ] - [ 0.0001236900000000, 0.0007745100000000, 0.0006853600000000 ] - [ -0.0000029800000000, -0.0000906300000000, -0.0004471900000000 ] - [ -0.0008096300000000, -0.0005589700000000, -0.0007167100000000 ] - [ 0.0001395900000000, -0.0021145400000000, 0.0002725900000000 ] - [ 0.0000294500000000, -0.0000543900000000, 0.0001867200000000 ] - [ 0.0000192500000000, 0.0000742900000000, -0.0002259000000000 ] - [ 0.0000071900000000, -0.0001424200000000, 0.0000582100000000 ] - [ -0.0000703600000000, 0.0002549100000000, -0.0003139800000000 ] - [ -0.0011901000000000, 0.0011215400000000, -0.0017302000000000 ] - [ -0.0004206600000000, 0.0005397000000000, -0.0001258700000000 ] - [ -0.0000335000000000, -0.0000918000000000, 0.0002002400000000 ] - [ 0.0002541200000000, -0.0002382000000000, 0.0001594200000000 ] - [ 0.0014953400000000, 0.0050503100000000, 0.0022185100000000 ] - [ -0.0000174500000000, 0.0000552300000000, 0.0001954000000000 ] - [ 0.0000247000000000, 0.0000962300000000, -0.0004503100000000 ] - [ 0.0001287000000000, -0.0001304000000000, -0.0002119000000000 ] - [ 0.0000484600000000, 0.0000483700000000, 0.0004478400000000 ] - [ 0.0000116200000000, 0.0001545000000000, 0.0000335500000000 ] - [ -0.0003285400000000, -0.0004279700000000, 0.0009976800000000 ] - [ 0.0000946200000000, 0.0002103800000000, 0.0001773800000000 ] - [ 0.0001847500000000, 0.0002819400000000, 0.0004202200000000 ] - [ 0.0003125000000000, -0.0006950100000000, 0.0014392100000000 ] - [ 0.0007450200000000, 0.0003484300000000, 0.0003233100000000 ] - [ 0.0002164800000000, -0.0001515900000000, -0.0003466100000000 ] - [ 0.0002146500000000, 0.0001002900000000, -0.0001917300000000 ] - [ 0.0000719200000000, -0.0002348300000000, -0.0004050900000000 ] - [ 0.0000579800000000, 0.0002418500000000, -0.0000288400000000 ] - [ 0.0001208000000000, 0.0001877000000000, 0.0000189100000000 ] - [ -0.0007085800000000, -0.0001203900000000, 0.0003558200000000 ] - [ -0.0000580700000000, 0.0000918700000000, 0.0002118100000000 ] - [ -0.0001003600000000, -0.0000883700000000, 0.0000544000000000 ] - [ -0.0000532300000000, -0.0000892700000000, 0.0002094400000000 ] - [ 0.0000718500000000, -0.0000172500000000, -0.0003984700000000 ] - [ 0.0000360800000000, 0.0000178300000000, 0.0001926100000000 ] - [ 0.0000077400000000, 0.0003155700000000, -0.0004686300000000 ] - [ 0.0161265100000000, -0.0202419700000000, 0.0241831300000000 ] - [ 0.0001306600000000, 0.0003743400000000, -0.0002759500000000 ] - [ -0.0002799900000000, -0.0003313600000000, -0.0009313100000000 ] - [ 0.0001898700000000, 0.0002780200000000, -0.0000898900000000 ] - [ -0.0005862200000000, -0.0005051200000000, -0.0001681900000000 ] - [ -0.0001268800000000, 0.0003497400000000, -0.0005206500000000 ] - [ 0.0006092700000000, -0.0003632900000000, 0.0001924600000000 ] - [ -0.0002923000000000, 0.0004515100000000, -0.0003140200000000 ] - [ 0.0001558500000000, -0.0003735300000000, -0.0004797100000000 ] - [ 0.0003677700000000, 0.0001879000000000, 0.0006494200000000 ] - [ -0.0002949600000000, -0.0003132500000000, 0.0006130700000000 ] - [ 0.0003508100000000, 0.0019357300000000, -0.0006591700000000 ] - [ -0.0024798900000000, -0.0009081100000000, -0.0010682400000000 ] - [ -0.0001335000000000, 0.0005429000000000, 0.0004935800000000 ] - [ 0.0020390400000000, -0.0011838100000000, -0.0008356000000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000340800000000, -0.0002810800000000, 0.0000504400000000 ] - [ 0.0004848300000000, 0.0001039400000000, 0.0003487600000000 ] - [ 0.0002418900000000, 0.0005035600000000, 0.0008529000000000 ] - [ -0.0003918800000000, -0.0000341000000000, 0.0002799300000000 ] - [ -0.0002173300000000, -0.0005558000000000, 0.0000299900000000 ] - [ 0.0004155700000000, 0.0000227100000000, -0.0001713400000000 ] - [ 0.0000695400000000, 0.0004396400000000, -0.0000189000000000 ] - [ -0.0004843200000000, 0.0001834800000000, -0.0003076100000000 ] - [ -0.0009541900000000, 0.0000323200000000, 0.0012828400000000 ] - [ -0.0000493400000000, 0.0002885100000000, 0.0000691200000000 ] - [ -0.0003321400000000, -0.0004620600000000, -0.0016331900000000 ] - [ -0.0006998900000000, 0.0006095400000000, 0.0000951300000000 ] - [ -0.0002554800000000, 0.0000273300000000, 0.0002739000000000 ] - [ 0.0001066600000000, 0.0000716900000000, -0.0003567800000000 ] - [ 0.0001592400000000, -0.0000149100000000, -0.0002853500000000 ] - [ 0.0004814200000000, 0.0000064400000000, -0.0000268500000000 ] - [ 0.0007012000000000, -0.0003584500000000, 0.0006734100000000 ] - [ -0.0000277600000000, 0.0000826500000000, 0.0002954200000000 ] - [ -0.0000739800000000, 0.0001678500000000, 0.0006585800000000 ] - [ 0.0008369700000000, -0.0007661400000000, 0.0008893000000000 ] - [ 0.0000586800000000, -0.0000165700000000, 0.0000852000000000 ] - [ 0.0023808200000000, -0.0018260200000000, -0.0050604600000000 ] - [ 0.0002236500000000, -0.0000538800000000, 0.0003100200000000 ] - [ -0.0000599300000000, 0.0001662500000000, 0.0001262700000000 ] - [ 0.0002223800000000, -0.0006617500000000, -0.0026826600000000 ] - [ 0.0002064700000000, 0.0000999900000000, 0.0006489200000000 ] - [ -0.0000137100000000, -0.0003877300000000, 0.0007693300000000 ] - [ 0.0001372700000000, -0.0000754500000000, 0.0000269300000000 ] - [ 0.0000878700000000, -0.0000334800000000, -0.0001930100000000 ] - [ -0.0026239100000000, -0.0019507700000000, -0.0020682100000000 ] - [ 0.0006068100000000, -0.0003404500000000, -0.0008294700000000 ] - [ 0.0005697300000000, -0.0004805000000000, 0.0001561800000000 ] - [ -0.0001343000000000, 0.0000055900000000, -0.0002767100000000 ] - [ -0.0093244000000000, -0.0056926700000000, -0.0033512800000000 ] - [ -0.0002736900000000, 0.0000394500000000, 0.0000185200000000 ] - [ 0.0000215900000000, 0.0000116800000000, 0.0001450900000000 ] - [ 0.0000450000000000, -0.0000102500000000, -0.0003424300000000 ] - [ -0.0000636300000000, 0.0000566100000000, -0.0003195700000000 ] - [ 0.0307176500000000, -0.0113357100000000, 0.0476654100000000 ] - [ 0.0001059900000000, -0.0001858800000000, -0.0001164400000000 ] - [ -0.0004321300000000, 0.0049178100000000, -0.0027240800000000 ] - [ -0.0000353100000000, 0.0000660600000000, -0.0001639400000000 ] - [ -0.0000426000000000, -0.0000523200000000, -0.0000200100000000 ] - [ 0.0004117400000000, -0.0001971400000000, 0.0001307400000000 ] - [ 0.0002697000000000, 0.0001103100000000, 0.0001436400000000 ] - [ -0.0039793400000000, 0.0029057200000000, -0.0022230500000000 ] - [ -0.0001559400000000, -0.0000942400000000, -0.0001623000000000 ] - [ 0.0006196500000000, 0.0004730400000000, 0.0000358900000000 ] - [ -0.0002279800000000, -0.0002926700000000, -0.0011976400000000 ] - [ 0.0000960000000000, -0.0001312200000000, -0.0003512800000000 ] - [ 0.0001316600000000, -0.0000960200000000, 0.0006178700000000 ] - [ 0.0004319300000000, 0.0000367700000000, 0.0000814500000000 ] - [ 0.0002114000000000, -0.0000950000000000, 0.0002444000000000 ] - [ -0.0004004200000000, -0.0002364100000000, 0.0000934700000000 ] - [ -0.0003901600000000, 0.0000321400000000, -0.0001279600000000 ] - [ -0.0000408800000000, 0.0000230400000000, 0.0002170400000000 ] - [ 0.0000340500000000, -0.0008295600000000, -0.0004657800000000 ] - [ 0.0003313800000000, 0.0000713900000000, -0.0008190600000000 ] - [ 0.0000443600000000, -0.0000407000000000, -0.0001149100000000 ] - [ 0.0001057900000000, -0.0002015100000000, -0.0005555700000000 ] - [ -0.0002072900000000, 0.0002695200000000, -0.0004222700000000 ] - [ -0.0047781700000000, 0.0013395900000000, -0.0024794700000000 ] - [ -0.0000979300000000, -0.0002140600000000, -0.0000975100000000 ] - [ 0.0021283500000000, -0.0021271900000000, -0.0026262000000000 ] - [ 0.0002508100000000, 0.0003913300000000, -0.0000512600000000 ] - [ -0.0002917300000000, 0.0005160300000000, -0.0001026300000000 ] - [ -0.0000117800000000, -0.0006588000000000, -0.0010300200000000 ] - [ -0.0000334600000000, 0.0000737600000000, -0.0000009300000000 ] - [ 0.0007046900000000, 0.0004375800000000, 0.0003689500000000 ] - [ -0.0001536800000000, 0.0020546200000000, -0.0007187400000000 ] - [ -0.0001764900000000, -0.0000956900000000, -0.0001825500000000 ] - [ 0.0000438600000000, -0.0004602000000000, 0.0006268400000000 ] - [ -0.0001299300000000, 0.0000296200000000, -0.0003970500000000 ] - [ -0.0000758100000000, -0.0001036600000000, 0.0003095700000000 ] - [ 0.0011556900000000, -0.0011012500000000, 0.0021700200000000 ] - [ 0.0005652000000000, -0.0003878900000000, 0.0001263800000000 ] - [ 0.0000502500000000, 0.0000554800000000, 0.0002462200000000 ] - [ -0.0001034300000000, 0.0000916500000000, -0.0001620700000000 ] - [ -0.0016457100000000, -0.0048852400000000, -0.0022262500000000 ] - [ 0.0001627800000000, 0.0000939300000000, -0.0001909500000000 ] - [ 0.0000115900000000, -0.0000794800000000, 0.0000029500000000 ] - [ -0.0000077700000000, 0.0000215500000000, 0.0005464100000000 ] - [ -0.0001719200000000, 0.0000638200000000, -0.0001079700000000 ] - [ 0.0001118200000000, -0.0000418600000000, -0.0003731600000000 ] - [ 0.0004709600000000, 0.0002754700000000, -0.0009947600000000 ] - [ -0.0000772900000000, -0.0001742100000000, -0.0006238500000000 ] - [ -0.0002963500000000, -0.0001567900000000, -0.0000793800000000 ] - [ -0.0001981900000000, 0.0005679700000000, -0.0010910000000000 ] - [ -0.0003603200000000, -0.0004123200000000, 0.0000792300000000 ] - [ 0.0001682700000000, 0.0002159100000000, -0.0000560600000000 ] - [ -0.0001786700000000, -0.0001157300000000, 0.0006379900000000 ] - [ -0.0001371800000000, -0.0001509700000000, 0.0000048000000000 ] - [ -0.0001219000000000, 0.0001440200000000, 0.0004299900000000 ] - [ -0.0000562100000000, 0.0001969500000000, -0.0004203400000000 ] - [ 0.0003284900000000, 0.0000576600000000, -0.0007582200000000 ] - [ 0.0000407100000000, -0.0000542200000000, 0.0002346000000000 ] - [ -0.0000490100000000, -0.0000582900000000, -0.0000524700000000 ] - [ -0.0003317600000000, 0.0001526600000000, 0.0001928600000000 ] - [ 0.0000395800000000, 0.0001397100000000, 0.0000569900000000 ] - [ -0.0000710700000000, -0.0000339600000000, -0.0006415000000000 ] - [ -0.0007535400000000, 0.0000910700000000, 0.0002011000000000 ] - [ -0.0162448700000000, 0.0200763700000000, -0.0246203100000000 ] - [ 0.0002738900000000, 0.0003720500000000, 0.0005423200000000 ] - [ -0.0001296000000000, -0.0004143400000000, 0.0011944200000000 ] - [ 0.0005550800000000, 0.0001286300000000, 0.0003566400000000 ] - [ -0.0001576300000000, 0.0000968500000000, 0.0004365100000000 ] - [ -0.0002738900000000, 0.0003975700000000, 0.0002536300000000 ] - [ 0.0001369300000000, -0.0000450300000000, -0.0004541200000000 ] - [ -0.0004531600000000, -0.0000469600000000, 0.0000508600000000 ] - [ 0.0002447200000000, -0.0003745200000000, 0.0002143200000000 ] - [ 0.0000375700000000, 0.0005594800000000, -0.0003807400000000 ] - [ -0.0001071900000000, -0.0004365700000000, -0.0003488800000000 ] - [ 0.0003881200000000, -0.0015216300000000, 0.0009279000000000 ] - [ 0.0017335000000000, 0.0005024000000000, 0.0013361500000000 ] - [ -0.0002674400000000, 0.0001989800000000, -0.0007633000000000 ] - [ -0.0013026400000000, 0.0007735000000000, 0.0005560800000000 ]- atom: 40 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0050116800000000, 0.0010538900000000, 0.0117385700000000 ] - [ 0.0001870000000000, 0.0001913800000000, -0.0002761800000000 ] - [ -0.0003183200000000, 0.0001915100000000, 0.0000746000000000 ] - [ -0.0000960000000000, -0.0000993100000000, -0.0001831500000000 ] - [ -0.0001322400000000, -0.0003210100000000, 0.0000149800000000 ] - [ 0.0004791100000000, 0.0000103300000000, -0.0000339600000000 ] - [ 0.0001670000000000, 0.0003846500000000, 0.0000818100000000 ] - [ -0.0004913000000000, 0.0000168400000000, -0.0000289700000000 ] - [ 0.0001802000000000, 0.0004403000000000, 0.0007062900000000 ] - [ 0.0005423400000000, 0.0003446000000000, 0.0000324900000000 ] - [ 0.0000973200000000, 0.0002399500000000, 0.0003971900000000 ] - [ -0.0005047700000000, 0.0000503600000000, 0.0000213900000000 ] - [ -0.0010107700000000, -0.0007177000000000, 0.0001636700000000 ] - [ -0.0000668000000000, -0.0000513200000000, -0.0001688500000000 ] - [ 0.0007098500000000, -0.0000220900000000, 0.0001866500000000 ] - [ 0.0010112200000000, -0.0001275200000000, 0.0007559400000000 ] - [ -0.0009569000000000, -0.0003484900000000, -0.0010312000000000 ] - [ 0.0035049700000000, 0.0023972900000000, -0.0024497600000000 ] - [ 0.0000686000000000, 0.0000720900000000, -0.0001672300000000 ] - [ -0.0008750000000000, 0.0001091700000000, 0.0000280100000000 ] - [ -0.0000725400000000, -0.0000516800000000, 0.0001913800000000 ] - [ -0.0005745600000000, 0.0003753800000000, -0.0001159200000000 ] - [ -0.0005406800000000, 0.0008244300000000, 0.0008724300000000 ] - [ 0.0013269000000000, 0.0006349200000000, -0.0007648800000000 ] - [ -0.0001972200000000, -0.0000312700000000, 0.0002266200000000 ] - [ 0.0060982600000000, 0.0014011900000000, 0.0042163100000000 ] - [ -0.0004648400000000, -0.0001417900000000, 0.0000169300000000 ] - [ -0.0005003200000000, -0.0003304800000000, 0.0000155600000000 ] - [ 0.0000966800000000, 0.0000624900000000, -0.0000199700000000 ] - [ -0.0003874700000000, -0.0000223500000000, 0.0000788300000000 ] - [ -0.0000697000000000, 0.0001185700000000, 0.0001259300000000 ] - [ 0.0003180900000000, -0.0000117400000000, 0.0001975400000000 ] - [ -0.0000144300000000, 0.0000601200000000, 0.0001831000000000 ] - [ 0.0000546300000000, -0.0001153100000000, -0.0000396100000000 ] - [ -0.0018966500000000, 0.0012238400000000, 0.0005918800000000 ] - [ -0.0000429200000000, -0.0001029900000000, 0.0002697600000000 ] - [ -0.0003484300000000, -0.0007499100000000, 0.0000884900000000 ] - [ 0.0049121700000000, 0.0035432100000000, 0.0014819800000000 ] - [ 0.0000853800000000, -0.0000476600000000, -0.0000715600000000 ] - [ -0.0694518500000000, 0.0200892000000000, 0.0173279300000000 ] - [ 0.0005974200000000, -0.0003228000000000, -0.0006086000000000 ] - [ 0.0043530300000000, -0.0010560800000000, -0.0048311400000000 ] - [ -0.0003760600000000, 0.0000628700000000, 0.0003710100000000 ] - [ -0.0000830200000000, 0.0004055400000000, -0.0003765800000000 ] - [ 0.0009180200000000, -0.0013769400000000, -0.0014594900000000 ] - [ -0.0001893600000000, -0.0000777300000000, -0.0000914200000000 ] - [ 0.0001299300000000, -0.0003219700000000, 0.0001818300000000 ] - [ -0.0001830800000000, 0.0002260900000000, -0.0001738900000000 ] - [ 0.0009811800000000, -0.0002459500000000, -0.0000285500000000 ] - [ 0.0006993200000000, -0.0001527600000000, 0.0001058700000000 ] - [ 0.0001332300000000, -0.0000164500000000, 0.0000954100000000 ] - [ -0.0005038200000000, 0.0002392400000000, -0.0004918000000000 ] - [ -0.0003201300000000, -0.0001430600000000, -0.0001405000000000 ] - [ -0.0000860100000000, -0.0002722600000000, -0.0000685400000000 ] - [ -0.0003709600000000, -0.0007286800000000, 0.0014696500000000 ] - [ -0.0001240500000000, 0.0001161100000000, 0.0004895400000000 ] - [ 0.0003049500000000, -0.0001293400000000, 0.0002152800000000 ] - [ 0.0026197100000000, -0.0017775300000000, -0.0008272900000000 ] - [ 0.0003476500000000, -0.0001849700000000, 0.0003063400000000 ] - [ 0.0001803800000000, -0.0001868100000000, -0.0001272800000000 ] - [ 0.0010650600000000, 0.0004030500000000, 0.0001581500000000 ] - [ 0.0003676700000000, 0.0002142600000000, -0.0001548700000000 ] - [ -0.0001068100000000, 0.0001065100000000, -0.0003697500000000 ] - [ 0.0002536400000000, 0.0005345100000000, 0.0000026700000000 ] - [ 0.0001220400000000, -0.0004801300000000, -0.0001189500000000 ] - [ -0.0005004200000000, 0.0000183400000000, 0.0001003900000000 ] - [ 0.0005254400000000, 0.0004956500000000, -0.0000864800000000 ] - [ 0.0002104700000000, 0.0000354600000000, -0.0002529400000000 ] - [ 0.0001614900000000, -0.0000448800000000, -0.0002986700000000 ] - [ -0.0000335700000000, 0.0001684800000000, -0.0000562400000000 ] - [ -0.0003737900000000, 0.0000735900000000, -0.0000104700000000 ] - [ 0.0002242200000000, -0.0001947600000000, 0.0001397800000000 ] - [ -0.0002560200000000, -0.0001535500000000, -0.0002385000000000 ] - [ 0.0001955800000000, 0.0000780400000000, -0.0000913300000000 ] - [ 0.0003116100000000, -0.0001234600000000, 0.0001641400000000 ] - [ 0.0011723300000000, 0.0007960500000000, -0.0007977800000000 ] - [ 0.0003125900000000, -0.0001073900000000, 0.0000212400000000 ] - [ 0.0009897000000000, 0.0007562300000000, 0.0001790700000000 ] - [ 0.0000781700000000, 0.0000791300000000, 0.0000367600000000 ] - [ 0.0004740500000000, 0.0000531800000000, -0.0000875100000000 ] - [ -0.0001965400000000, -0.0000678700000000, -0.0002006200000000 ] - [ -0.0000848100000000, -0.0000941400000000, 0.0000697800000000 ] - [ 0.0030034200000000, -0.0040636700000000, -0.0003223000000000 ] - [ 0.0003432100000000, 0.0001771300000000, -0.0001658000000000 ] - [ 0.0008372800000000, -0.0000440400000000, 0.0001020300000000 ] - [ 0.0007193500000000, -0.0001292800000000, -0.0000587400000000 ] - [ 0.0001237000000000, 0.0000011300000000, 0.0002851800000000 ] - [ 0.0005306700000000, 0.0012983300000000, 0.0011829600000000 ] - [ 0.0002311000000000, -0.0001293900000000, 0.0005192700000000 ] - [ 0.0001984100000000, -0.0001064700000000, -0.0003717300000000 ] - [ -0.0002026800000000, 0.0001002700000000, 0.0000052600000000 ] - [ -0.0000524300000000, 0.0003227100000000, 0.0005138300000000 ] - [ -0.0002422500000000, 0.0001767600000000, 0.0001457100000000 ] - [ -0.0004117000000000, 0.0006221400000000, -0.0003652700000000 ] - [ 0.0004928100000000, 0.0017807000000000, -0.0012458000000000 ] - [ -0.0000087600000000, 0.0003965600000000, 0.0000263600000000 ] - [ 0.0001486500000000, -0.0007419800000000, -0.0004834500000000 ] - [ 0.0001935400000000, 0.0000192500000000, 0.0006522500000000 ] - [ -0.0000244000000000, 0.0001717000000000, -0.0004843900000000 ] - [ -0.0017587600000000, 0.0001036900000000, -0.0002110200000000 ] - [ -0.0008741500000000, 0.0017596800000000, 0.0002219000000000 ] - [ -0.0004586100000000, -0.0006309800000000, 0.0002170100000000 ] - [ 0.0397177300000000, -0.0269211800000000, -0.0257940800000000 ] - [ -0.0014129100000000, -0.0003501500000000, 0.0000498200000000 ] - [ 0.0001343600000000, -0.0005807600000000, -0.0019974100000000 ] - [ -0.0006707200000000, -0.0000225700000000, -0.0002368000000000 ] - [ -0.0006957300000000, 0.0004335800000000, -0.0002736500000000 ] - [ 0.0004221400000000, -0.0007367400000000, 0.0005216000000000 ] - [ -0.0008519600000000, 0.0004262800000000, 0.0002286700000000 ] - [ 0.0006007200000000, -0.0005434900000000, -0.0003474800000000 ] - [ -0.0001553800000000, 0.0003204600000000, 0.0001593700000000 ] - [ 0.0002402700000000, -0.0002503300000000, 0.0002520000000000 ] - [ 0.0011596800000000, -0.0002184800000000, -0.0002506100000000 ] - [ -0.0009432800000000, 0.0003983300000000, -0.0000546400000000 ] - [ 0.0003074600000000, 0.0004752200000000, 0.0000471800000000 ] - [ -0.0004188800000000, -0.0006603700000000, 0.0006800600000000 ]- atom: 40 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0049573300000000, -0.0016699400000000, -0.0114425600000000 ] - [ 0.0005462400000000, -0.0001908300000000, 0.0002767400000000 ] - [ 0.0003188700000000, 0.0005440500000000, -0.0000753700000000 ] - [ -0.0006400000000000, 0.0000992900000000, 0.0001815500000000 ] - [ 0.0001321200000000, -0.0004142200000000, -0.0000149000000000 ] - [ 0.0002573400000000, -0.0000104600000000, 0.0000336300000000 ] - [ -0.0001665600000000, 0.0003510700000000, -0.0000818600000000 ] - [ -0.0002439000000000, -0.0000174400000000, 0.0000295200000000 ] - [ -0.0002383800000000, -0.0004719400000000, -0.0004120000000000 ] - [ -0.0005419100000000, 0.0001475200000000, -0.0000315700000000 ] - [ 0.0003892600000000, -0.0002394100000000, -0.0003937700000000 ] - [ 0.0005040900000000, 0.0001493000000000, -0.0000200900000000 ] - [ 0.0005222400000000, 0.0007130600000000, -0.0001694600000000 ] - [ 0.0000678200000000, 0.0000523900000000, -0.0000621600000000 ] - [ -0.0005093500000000, 0.0000247400000000, -0.0001800700000000 ] - [ -0.0010058800000000, -0.0003572800000000, -0.0007520700000000 ] - [ 0.0009584200000000, 0.0003385800000000, 0.0007947100000000 ] - [ -0.0037218000000000, -0.0023768900000000, 0.0024306800000000 ] - [ -0.0000686200000000, -0.0000700100000000, 0.0003980400000000 ] - [ 0.0008699900000000, -0.0003099900000000, -0.0000258900000000 ] - [ 0.0000731400000000, 0.0000523000000000, 0.0000402000000000 ] - [ 0.0005754900000000, 0.0001115500000000, 0.0001190100000000 ] - [ 0.0010240700000000, -0.0008182700000000, -0.0008675000000000 ] - [ -0.0013209400000000, -0.0004354500000000, 0.0007593600000000 ] - [ -0.0002923900000000, 0.0000310500000000, -0.0002273000000000 ] - [ -0.0063094300000000, -0.0015078100000000, -0.0046644900000000 ] - [ 0.0006665200000000, 0.0001442600000000, -0.0000184200000000 ] - [ 0.0004994000000000, -0.0001557500000000, -0.0000154500000000 ] - [ -0.0000976800000000, -0.0000611700000000, -0.0002111900000000 ] - [ 0.0001878400000000, 0.0000227200000000, -0.0000791500000000 ] - [ 0.0000724100000000, -0.0001198000000000, 0.0001074600000000 ] - [ -0.0003166600000000, -0.0001887100000000, -0.0001975900000000 ] - [ 0.0000161700000000, -0.0000559500000000, -0.0001823900000000 ] - [ -0.0000553600000000, 0.0001136700000000, 0.0000398900000000 ] - [ 0.0018876800000000, -0.0012161400000000, -0.0005907600000000 ] - [ 0.0000437800000000, 0.0001048600000000, -0.0002676700000000 ] - [ 0.0002362300000000, 0.0006254000000000, -0.0004243500000000 ] - [ -0.0049220500000000, -0.0035629200000000, -0.0019228500000000 ] - [ -0.0002300200000000, -0.0000987600000000, 0.0000755000000000 ] - [ 0.0688910100000000, -0.0194381900000000, -0.0161227400000000 ] - [ -0.0007220800000000, 0.0002151100000000, 0.0002718200000000 ] - [ -0.0044399000000000, 0.0012128800000000, 0.0047476400000000 ] - [ 0.0003390600000000, -0.0000474900000000, 0.0000771000000000 ] - [ 0.0002309500000000, -0.0002632900000000, 0.0003833000000000 ] - [ -0.0008626900000000, 0.0013281000000000, 0.0019041500000000 ] - [ 0.0003397000000000, -0.0000667500000000, 0.0000876700000000 ] - [ -0.0002758400000000, 0.0004618900000000, -0.0001847400000000 ] - [ 0.0003293000000000, -0.0000777100000000, 0.0001765800000000 ] - [ -0.0009474200000000, 0.0002674800000000, -0.0004195000000000 ] - [ -0.0005779100000000, 0.0000426900000000, 0.0002342500000000 ] - [ -0.0002547200000000, 0.0001281900000000, 0.0002417400000000 ] - [ 0.0006320800000000, -0.0001226100000000, 0.0001537100000000 ] - [ 0.0004648200000000, -0.0000057600000000, 0.0001361300000000 ] - [ 0.0001035200000000, 0.0003090200000000, -0.0003804300000000 ] - [ 0.0002672300000000, 0.0008519200000000, -0.0011326100000000 ] - [ 0.0002358100000000, -0.0002413500000000, -0.0001531300000000 ] - [ 0.0000791200000000, 0.0000667700000000, 0.0001879500000000 ] - [ -0.0022536500000000, 0.0018519400000000, 0.0004274200000000 ] - [ -0.0003079500000000, 0.0001638800000000, 0.0001437300000000 ] - [ -0.0002427700000000, -0.0001989400000000, -0.0002737600000000 ] - [ -0.0011324700000000, -0.0000183300000000, 0.0002454700000000 ] - [ -0.0003045600000000, 0.0001701800000000, -0.0002470600000000 ] - [ -0.0002765800000000, -0.0001683000000000, -0.0000322100000000 ] - [ -0.0002711300000000, -0.0005018500000000, 0.0004464500000000 ] - [ -0.0002637100000000, 0.0003267100000000, 0.0001219600000000 ] - [ 0.0001194700000000, 0.0000432600000000, 0.0003019200000000 ] - [ -0.0004126400000000, -0.0003743200000000, -0.0002518200000000 ] - [ -0.0002472200000000, -0.0000531800000000, -0.0001967500000000 ] - [ -0.0002746100000000, -0.0000780300000000, -0.0000396000000000 ] - [ 0.0000170900000000, -0.0002083200000000, -0.0003950700000000 ] - [ 0.0002258100000000, -0.0002248400000000, 0.0000136700000000 ] - [ -0.0001611200000000, -0.0001897500000000, 0.0002616300000000 ] - [ 0.0001322100000000, 0.0000384600000000, -0.0000988900000000 ] - [ -0.0003406900000000, 0.0000672200000000, 0.0000862400000000 ] - [ -0.0003492100000000, 0.0001414700000000, 0.0002842600000000 ] - [ -0.0010193100000000, -0.0006449600000000, 0.0007985300000000 ] - [ -0.0002944500000000, 0.0000688500000000, 0.0004262700000000 ] - [ -0.0008407800000000, -0.0009006200000000, -0.0001825500000000 ] - [ -0.0002232000000000, 0.0000673300000000, -0.0000410600000000 ] - [ -0.0003273000000000, 0.0000920000000000, 0.0000919800000000 ] - [ 0.0002341400000000, 0.0000838600000000, -0.0002478900000000 ] - [ 0.0002078000000000, -0.0000196200000000, 0.0002677700000000 ] - [ -0.0030728800000000, 0.0041022500000000, 0.0006714400000000 ] - [ -0.0002202900000000, -0.0000646900000000, -0.0001719100000000 ] - [ -0.0006918800000000, -0.0001025100000000, -0.0001065600000000 ] - [ -0.0007004800000000, 0.0001670300000000, -0.0003881700000000 ] - [ -0.0002367000000000, 0.0001207000000000, 0.0000523500000000 ] - [ -0.0004224200000000, -0.0014352600000000, -0.0008559300000000 ] - [ 0.0001526000000000, 0.0000666800000000, -0.0001143400000000 ] - [ 0.0001844000000000, 0.0001682500000000, -0.0000315700000000 ] - [ 0.0002406800000000, -0.0001148600000000, 0.0004395900000000 ] - [ -0.0000034700000000, -0.0007128300000000, -0.0009022800000000 ] - [ 0.0001791800000000, 0.0002063600000000, 0.0002560000000000 ] - [ 0.0004759400000000, -0.0002406600000000, -0.0000358700000000 ] - [ -0.0008741100000000, -0.0018488600000000, 0.0008459900000000 ] - [ -0.0000112900000000, -0.0003566300000000, 0.0004243800000000 ] - [ -0.0002948500000000, 0.0005929600000000, 0.0004845200000000 ] - [ -0.0005776800000000, 0.0000441900000000, -0.0002495000000000 ] - [ 0.0001364400000000, -0.0000482600000000, 0.0001435600000000 ] - [ 0.0017136900000000, -0.0001217300000000, -0.0002387700000000 ] - [ 0.0001355300000000, -0.0013473100000000, -0.0005009900000000 ] - [ 0.0008686400000000, -0.0001170500000000, -0.0004843800000000 ] - [ -0.0386251700000000, 0.0266962800000000, 0.0251855800000000 ] - [ 0.0010061100000000, -0.0003996600000000, 0.0002164500000000 ] - [ 0.0006218200000000, 0.0009989500000000, 0.0022712300000000 ] - [ -0.0000774900000000, -0.0003818300000000, 0.0004995000000000 ] - [ 0.0002860600000000, 0.0003137500000000, 0.0000027000000000 ] - [ 0.0003231000000000, 0.0003225900000000, -0.0007873800000000 ] - [ 0.0001048400000000, -0.0000168800000000, -0.0004936900000000 ] - [ -0.0001919100000000, -0.0001984100000000, 0.0000787400000000 ] - [ 0.0005613300000000, 0.0004284400000000, 0.0001070600000000 ] - [ -0.0006458100000000, -0.0004951400000000, 0.0000146600000000 ] - [ -0.0004225700000000, 0.0006317800000000, 0.0005241000000000 ] - [ 0.0001975900000000, -0.0008080600000000, 0.0003255100000000 ] - [ -0.0007208600000000, 0.0002656200000000, -0.0003090500000000 ] - [ 0.0011658300000000, 0.0002531300000000, -0.0009479200000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0028886300000000, 0.0000387300000000, 0.0060642200000000 ] - [ 0.0005673100000000, -0.0000344000000000, 0.0002047400000000 ] - [ -0.0000013100000000, 0.0005238500000000, 0.0000772900000000 ] - [ -0.0004882600000000, -0.0008963700000000, -0.0002497400000000 ] - [ 0.0000064400000000, -0.0004419600000000, -0.0000137000000000 ] - [ 0.0002871800000000, -0.0000560000000000, 0.0000427000000000 ] - [ -0.0000207300000000, 0.0003757800000000, 0.0001542500000000 ] - [ -0.0004412900000000, 0.0000157700000000, -0.0000470900000000 ] - [ 0.0007441200000000, 0.0026100600000000, -0.0004606100000000 ] - [ -0.0000609300000000, -0.0004101900000000, -0.0002107400000000 ] - [ 0.0004884100000000, -0.0000802800000000, -0.0001993900000000 ] - [ 0.0000278600000000, 0.0001180700000000, -0.0000401700000000 ] - [ -0.0007660300000000, -0.0001040100000000, 0.0005040200000000 ] - [ -0.0000659100000000, -0.0002693200000000, -0.0001577500000000 ] - [ -0.0000999600000000, 0.0001318800000000, -0.0002328200000000 ] - [ 0.0003272400000000, 0.0008174500000000, -0.0004747000000000 ] - [ 0.0004266100000000, 0.0014671900000000, 0.0003978800000000 ] - [ 0.0020797300000000, 0.0054073700000000, -0.0032010400000000 ] - [ 0.0003738200000000, -0.0007366100000000, 0.0001257000000000 ] - [ 0.0000335300000000, -0.0000112500000000, -0.0001125100000000 ] - [ -0.0000431200000000, -0.0003069100000000, 0.0001377700000000 ] - [ -0.0000628500000000, 0.0005154700000000, -0.0000916500000000 ] - [ 0.0008978800000000, -0.0008536800000000, -0.0008886500000000 ] - [ 0.0000285100000000, -0.0010324300000000, 0.0009790600000000 ] - [ -0.0002980900000000, -0.0001093900000000, 0.0000886800000000 ] - [ 0.0027277100000000, 0.0029558300000000, 0.0029416600000000 ] - [ -0.0000779600000000, -0.0000421900000000, -0.0001747100000000 ] - [ -0.0001936600000000, -0.0007689500000000, 0.0000562600000000 ] - [ 0.0000851200000000, -0.0003627000000000, -0.0000647100000000 ] - [ -0.0001490800000000, -0.0000764400000000, 0.0000744400000000 ] - [ 0.0000918100000000, 0.0002683700000000, 0.0001052100000000 ] - [ 0.0003543500000000, -0.0008991100000000, -0.0006988100000000 ] - [ -0.0001524300000000, -0.0005804900000000, 0.0000145100000000 ] - [ -0.0001097900000000, 0.0004675000000000, -0.0000093100000000 ] - [ -0.0002256700000000, 0.0006209400000000, 0.0000336000000000 ] - [ -0.0000853900000000, -0.0006552600000000, -0.0001178700000000 ] - [ -0.0005907200000000, 0.0008888100000000, 0.0003269800000000 ] - [ 0.0044440400000000, 0.0019138700000000, 0.0011346100000000 ] - [ 0.0000206300000000, -0.0003225700000000, -0.0000046200000000 ] - [ 0.0193557300000000, -0.0536773300000000, -0.0301656000000000 ] - [ -0.0000921000000000, -0.0003952300000000, -0.0001329600000000 ] - [ 0.0012981800000000, -0.0018435100000000, -0.0011497900000000 ] - [ -0.0001038400000000, 0.0006430400000000, 0.0004544800000000 ] - [ 0.0001115700000000, 0.0008201400000000, -0.0005485600000000 ] - [ -0.0024756900000000, 0.0018571100000000, 0.0036753600000000 ] - [ 0.0004932300000000, -0.0001582600000000, 0.0005158500000000 ] - [ -0.0001337000000000, 0.0007249400000000, 0.0000223200000000 ] - [ 0.0001888400000000, -0.0003134100000000, 0.0000795400000000 ] - [ 0.0003342800000000, -0.0004636800000000, -0.0001762700000000 ] - [ 0.0001611800000000, -0.0004724400000000, 0.0000317000000000 ] - [ -0.0001538800000000, 0.0002736800000000, 0.0001818600000000 ] - [ 0.0000615500000000, -0.0002095900000000, -0.0004537500000000 ] - [ 0.0000896200000000, 0.0003051900000000, -0.0000102000000000 ] - [ 0.0000052000000000, 0.0002172800000000, -0.0003675000000000 ] - [ -0.0007489300000000, -0.0003174300000000, -0.0009417300000000 ] - [ 0.0000374200000000, 0.0001564100000000, 0.0004537200000000 ] - [ 0.0000563500000000, 0.0000068100000000, 0.0001782800000000 ] - [ -0.0018992300000000, 0.0007171900000000, 0.0001293100000000 ] - [ 0.0000371200000000, 0.0003446500000000, 0.0001038900000000 ] - [ -0.0000374400000000, 0.0000189200000000, -0.0002323900000000 ] - [ 0.0001810900000000, -0.0001204400000000, 0.0001770800000000 ] - [ 0.0000096300000000, -0.0000369700000000, -0.0002827600000000 ] - [ -0.0001124200000000, -0.0000254000000000, -0.0003097700000000 ] - [ 0.0002481100000000, -0.0000727100000000, -0.0001861200000000 ] - [ -0.0003642300000000, 0.0002560500000000, 0.0001422500000000 ] - [ 0.0000037500000000, 0.0004185500000000, 0.0002734900000000 ] - [ 0.0008164100000000, 0.0009427600000000, -0.0001069800000000 ] - [ -0.0000110700000000, 0.0002085600000000, -0.0001515900000000 ] - [ -0.0001405300000000, -0.0001056700000000, -0.0001034400000000 ] - [ 0.0001209400000000, 0.0001236400000000, -0.0001335100000000 ] - [ 0.0003076700000000, 0.0008342900000000, 0.0002704900000000 ] - [ 0.0000287500000000, -0.0000066200000000, 0.0002530100000000 ] - [ 0.0000224100000000, 0.0004814100000000, -0.0001982500000000 ] - [ 0.0000145300000000, 0.0003249200000000, -0.0000069400000000 ] - [ -0.0000066600000000, -0.0002527400000000, 0.0002578300000000 ] - [ 0.0003548000000000, 0.0000272900000000, -0.0001563200000000 ] - [ -0.0001319200000000, 0.0001323400000000, 0.0004298900000000 ] - [ 0.0008681000000000, 0.0007963300000000, 0.0000914800000000 ] - [ -0.0003529300000000, -0.0001702100000000, -0.0001418500000000 ] - [ 0.0001228900000000, 0.0004418500000000, -0.0000468900000000 ] - [ -0.0000036900000000, 0.0003093500000000, -0.0003189200000000 ] - [ 0.0000588000000000, 0.0002151800000000, 0.0002582000000000 ] - [ -0.0045621300000000, 0.0024267700000000, 0.0006374400000000 ] - [ 0.0001681000000000, 0.0002617000000000, -0.0001989600000000 ] - [ 0.0000322900000000, -0.0003427800000000, 0.0000397200000000 ] - [ -0.0005065700000000, 0.0002348500000000, -0.0005162800000000 ] - [ -0.0000960500000000, 0.0002469000000000, 0.0000798800000000 ] - [ 0.0002305200000000, 0.0001269600000000, 0.0003858700000000 ] - [ 0.0000558500000000, 0.0000814300000000, -0.0000455500000000 ] - [ 0.0001129100000000, 0.0001169200000000, -0.0001629500000000 ] - [ -0.0000008600000000, -0.0001678100000000, 0.0003030000000000 ] - [ -0.0005533200000000, 0.0002412600000000, -0.0014251400000000 ] - [ -0.0000463000000000, 0.0003542500000000, 0.0001679800000000 ] - [ -0.0004020300000000, 0.0014386900000000, -0.0006180900000000 ] - [ 0.0018754300000000, 0.0023940400000000, -0.0022988100000000 ] - [ 0.0004780700000000, -0.0001122400000000, -0.0003541100000000 ] - [ -0.0002310100000000, -0.0001730400000000, 0.0001022000000000 ] - [ 0.0000039000000000, -0.0002786800000000, 0.0006335800000000 ] - [ -0.0000615400000000, -0.0001991300000000, -0.0002346000000000 ] - [ -0.0014266100000000, 0.0021232400000000, 0.0045663700000000 ] - [ 0.0007209800000000, -0.0002673700000000, -0.0005439400000000 ] - [ 0.0002651900000000, 0.0000968800000000, -0.0001682100000000 ] - [ -0.0260383400000000, 0.0325953200000000, 0.0214388800000000 ] - [ -0.0004061100000000, 0.0001291400000000, 0.0002334700000000 ] - [ 0.0000422200000000, -0.0007453000000000, -0.0017734500000000 ] - [ -0.0003483000000000, -0.0006239200000000, 0.0004796200000000 ] - [ -0.0002464100000000, 0.0000007600000000, -0.0000771100000000 ] - [ 0.0002543600000000, 0.0001302600000000, 0.0002397800000000 ] - [ -0.0003348600000000, 0.0000158000000000, -0.0002724200000000 ] - [ 0.0001456700000000, -0.0015062400000000, -0.0003541200000000 ] - [ 0.0002089000000000, 0.0000259600000000, 0.0001318600000000 ] - [ -0.0001658300000000, -0.0007727500000000, 0.0001223300000000 ] - [ 0.0000884600000000, -0.0000488500000000, -0.0000798900000000 ] - [ 0.0001549900000000, -0.0006749000000000, 0.0003142200000000 ] - [ -0.0002866300000000, 0.0007324100000000, 0.0000381000000000 ] - [ -0.0007125600000000, -0.0009032100000000, 0.0015383900000000 ]- atom: 40 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0028573000000000, -0.0007803100000000, -0.0059997200000000 ] - [ 0.0001677500000000, 0.0000338300000000, -0.0002030200000000 ] - [ 0.0000002700000000, 0.0002110700000000, -0.0000763000000000 ] - [ -0.0002450600000000, 0.0009032700000000, 0.0002482000000000 ] - [ -0.0000070000000000, -0.0002938800000000, 0.0000135200000000 ] - [ 0.0004483000000000, 0.0000553500000000, -0.0000427700000000 ] - [ 0.0000210400000000, 0.0003604300000000, -0.0001525900000000 ] - [ -0.0002944200000000, -0.0000157900000000, 0.0000475900000000 ] - [ -0.0007645000000000, -0.0025922500000000, 0.0007034000000000 ] - [ 0.0000597600000000, 0.0009019500000000, 0.0002096800000000 ] - [ 0.0000047800000000, 0.0000819900000000, 0.0002010800000000 ] - [ -0.0000281100000000, 0.0000795900000000, 0.0000409200000000 ] - [ 0.0002709600000000, 0.0001048800000000, -0.0005041100000000 ] - [ 0.0000664700000000, 0.0002692900000000, -0.0000692300000000 ] - [ 0.0002941300000000, -0.0001272200000000, 0.0002367800000000 ] - [ -0.0003292100000000, -0.0013128500000000, 0.0004748600000000 ] - [ -0.0004234800000000, -0.0014687700000000, -0.0006272200000000 ] - [ -0.0021546400000000, -0.0051465800000000, 0.0030218500000000 ] - [ -0.0003718600000000, 0.0007353500000000, 0.0001025600000000 ] - [ -0.0000346100000000, -0.0001831400000000, 0.0001100700000000 ] - [ 0.0000429300000000, 0.0003057600000000, 0.0000900000000000 ] - [ 0.0000624200000000, -0.0000220900000000, 0.0000919600000000 ] - [ -0.0004060800000000, 0.0008530700000000, 0.0008885200000000 ] - [ -0.0000289100000000, 0.0012287400000000, -0.0009810500000000 ] - [ -0.0001950900000000, 0.0001073500000000, -0.0000884200000000 ] - [ -0.0027599900000000, -0.0029411000000000, -0.0031995000000000 ] - [ 0.0002744800000000, 0.0000388100000000, 0.0001766100000000 ] - [ 0.0001947000000000, 0.0002767200000000, -0.0000579800000000 ] - [ -0.0000844900000000, 0.0003622600000000, -0.0001610800000000 ] - [ -0.0000469200000000, 0.0000755700000000, -0.0000748900000000 ] - [ -0.0000889900000000, -0.0002689300000000, 0.0001224900000000 ] - [ -0.0003558200000000, 0.0007031400000000, 0.0007002000000000 ] - [ 0.0001529000000000, 0.0005813000000000, -0.0000154400000000 ] - [ 0.0001091700000000, -0.0004684500000000, 0.0000098900000000 ] - [ 0.0002279800000000, -0.0006220400000000, -0.0000343300000000 ] - [ 0.0000839500000000, 0.0006529700000000, 0.0001164300000000 ] - [ 0.0004752900000000, -0.0010071800000000, -0.0006627400000000 ] - [ -0.0044523200000000, -0.0019586700000000, -0.0015806800000000 ] - [ -0.0001682100000000, 0.0001728800000000, 0.0000077500000000 ] - [ -0.0201701000000000, 0.0533828100000000, 0.0314038900000000 ] - [ -0.0000277000000000, 0.0002776200000000, -0.0002087100000000 ] - [ -0.0014450400000000, 0.0019955100000000, 0.0011466300000000 ] - [ 0.0000661300000000, -0.0006240200000000, -0.0000060700000000 ] - [ 0.0000397100000000, -0.0006731200000000, 0.0005560900000000 ] - [ 0.0024836300000000, -0.0018962700000000, -0.0032068100000000 ] - [ -0.0003429200000000, 0.0000113600000000, -0.0005205700000000 ] - [ -0.0000164200000000, -0.0005738500000000, -0.0000249300000000 ] - [ -0.0000387700000000, 0.0004626900000000, -0.0000759100000000 ] - [ -0.0002972300000000, 0.0004795300000000, -0.0002708300000000 ] - [ -0.0000381700000000, 0.0003589900000000, 0.0003076800000000 ] - [ 0.0000304100000000, -0.0001621100000000, 0.0001583800000000 ] - [ 0.0000613500000000, 0.0003252600000000, 0.0001111400000000 ] - [ 0.0000595000000000, -0.0004567700000000, 0.0000074700000000 ] - [ 0.0000109900000000, -0.0001823000000000, -0.0000796500000000 ] - [ 0.0006401200000000, 0.0004286400000000, 0.0012896500000000 ] - [ 0.0000741400000000, -0.0002808900000000, -0.0001137900000000 ] - [ 0.0003291100000000, -0.0000719500000000, 0.0002217600000000 ] - [ 0.0022569700000000, -0.0006491900000000, -0.0005265900000000 ] - [ -0.0000015100000000, -0.0003621500000000, 0.0003420600000000 ] - [ -0.0000263200000000, -0.0004042700000000, -0.0001688600000000 ] - [ -0.0002413200000000, 0.0005055500000000, 0.0002236200000000 ] - [ 0.0000548100000000, 0.0004225800000000, -0.0001175800000000 ] - [ -0.0002714700000000, -0.0000395100000000, -0.0000918600000000 ] - [ -0.0002643800000000, 0.0001140900000000, 0.0006353000000000 ] - [ 0.0002136300000000, -0.0004058900000000, -0.0001371600000000 ] - [ -0.0003891800000000, -0.0003525800000000, 0.0001278100000000 ] - [ -0.0007110200000000, -0.0008241700000000, -0.0002330200000000 ] - [ -0.0000254400000000, -0.0002248100000000, -0.0002949100000000 ] - [ 0.0000284700000000, -0.0000179200000000, -0.0002363000000000 ] - [ -0.0001370100000000, -0.0001593100000000, -0.0003134300000000 ] - [ -0.0004531900000000, -0.0009809100000000, -0.0002645500000000 ] - [ 0.0000347200000000, -0.0003783800000000, 0.0001479100000000 ] - [ -0.0001451100000000, -0.0005923100000000, -0.0001418500000000 ] - [ -0.0001628200000000, -0.0001740600000000, 0.0000035000000000 ] - [ -0.0000290400000000, 0.0002681800000000, 0.0001886400000000 ] - [ -0.0002046300000000, 0.0001189900000000, 0.0001599700000000 ] - [ 0.0001486000000000, -0.0001680100000000, 0.0000172300000000 ] - [ -0.0007143900000000, -0.0009424200000000, -0.0000941200000000 ] - [ 0.0002023200000000, 0.0003172200000000, 0.0001376400000000 ] - [ 0.0000248900000000, -0.0002909600000000, 0.0000502500000000 ] - [ 0.0000405800000000, -0.0002924100000000, -0.0001279600000000 ] - [ 0.0000639300000000, -0.0003265700000000, 0.0000818900000000 ] - [ 0.0044855900000000, -0.0023276100000000, -0.0002907500000000 ] - [ -0.0000440600000000, -0.0001497600000000, -0.0001416400000000 ] - [ 0.0001157600000000, 0.0001921100000000, -0.0000432000000000 ] - [ 0.0005239600000000, -0.0001981200000000, 0.0000692800000000 ] - [ -0.0000166400000000, -0.0001231700000000, 0.0002596200000000 ] - [ -0.0001158800000000, -0.0002444000000000, -0.0000423800000000 ] - [ 0.0003286900000000, -0.0001445400000000, 0.0004477100000000 ] - [ 0.0002720900000000, -0.0000522700000000, -0.0002386000000000 ] - [ 0.0000370300000000, 0.0001525900000000, 0.0001418500000000 ] - [ 0.0004812800000000, -0.0006260700000000, 0.0010028300000000 ] - [ -0.0000176900000000, 0.0000312900000000, 0.0002325100000000 ] - [ 0.0004618100000000, -0.0010446200000000, 0.0002144600000000 ] - [ -0.0022807000000000, -0.0024794400000000, 0.0019118800000000 ] - [ -0.0004893000000000, 0.0001454100000000, 0.0007948200000000 ] - [ 0.0000805000000000, 0.0000258600000000, -0.0000984900000000 ] - [ -0.0003888700000000, 0.0003416900000000, -0.0002295600000000 ] - [ 0.0001725600000000, 0.0003195500000000, -0.0001067000000000 ] - [ 0.0013888700000000, -0.0021674600000000, -0.0050652100000000 ] - [ -0.0014639100000000, 0.0006762800000000, 0.0002670800000000 ] - [ 0.0001350200000000, -0.0008466700000000, -0.0000951100000000 ] - [ 0.0272295600000000, -0.0321551600000000, -0.0218578900000000 ] - [ -0.0000009900000000, -0.0008730000000000, 0.0000330500000000 ] - [ 0.0007077000000000, 0.0011513700000000, 0.0020407500000000 ] - [ -0.0003975200000000, 0.0002163800000000, -0.0002124700000000 ] - [ -0.0001547400000000, 0.0007471800000000, -0.0001869900000000 ] - [ 0.0004898500000000, -0.0005304300000000, -0.0005051300000000 ] - [ -0.0004109800000000, 0.0003888900000000, 0.0000055200000000 ] - [ 0.0002598100000000, 0.0007536100000000, 0.0000855300000000 ] - [ 0.0001914500000000, 0.0007244400000000, 0.0001305600000000 ] - [ -0.0002383600000000, 0.0000247700000000, 0.0001434600000000 ] - [ 0.0006596700000000, 0.0004534700000000, 0.0003472100000000 ] - [ -0.0009043700000000, 0.0002737600000000, -0.0000460300000000 ] - [ -0.0001242200000000, 0.0000090800000000, -0.0002998900000000 ] - [ 0.0014559500000000, 0.0004867400000000, -0.0018144100000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0090955300000000, 0.0000768900000000, 0.0142230900000000 ] - [ 0.0005226500000000, -0.0000408700000000, 0.0004336100000000 ] - [ 0.0000499000000000, 0.0002617400000000, 0.0000984600000000 ] - [ -0.0009204400000000, -0.0004989700000000, 0.0003798300000000 ] - [ -0.0000208300000000, -0.0004290100000000, -0.0000092000000000 ] - [ 0.0003428800000000, -0.0000030000000000, -0.0001022400000000 ] - [ 0.0000430400000000, 0.0004597800000000, -0.0001159600000000 ] - [ -0.0003841200000000, 0.0000057000000000, -0.0001497300000000 ] - [ 0.0007615600000000, -0.0003217100000000, 0.0005754300000000 ] - [ -0.0001050400000000, -0.0000009700000000, 0.0001114100000000 ] - [ 0.0004337100000000, -0.0002449300000000, -0.0009413100000000 ] - [ 0.0000565000000000, 0.0003116900000000, -0.0001570600000000 ] - [ 0.0000857000000000, 0.0004555100000000, 0.0010317300000000 ] - [ -0.0000218900000000, -0.0000841300000000, -0.0003522700000000 ] - [ -0.0001028500000000, -0.0002500700000000, -0.0008789100000000 ] - [ 0.0002794900000000, -0.0001744700000000, -0.0015454100000000 ] - [ -0.0005020400000000, 0.0003439000000000, -0.0000141100000000 ] - [ -0.0020141800000000, -0.0026886100000000, 0.0046819400000000 ] - [ -0.0001224900000000, -0.0001284200000000, 0.0005958200000000 ] - [ 0.0002419700000000, -0.0000818600000000, -0.0000349600000000 ] - [ 0.0000902500000000, 0.0000194700000000, 0.0000540800000000 ] - [ -0.0000622000000000, 0.0002215900000000, -0.0002393700000000 ] - [ 0.0003497900000000, -0.0000780000000000, 0.0003800700000000 ] - [ -0.0003883300000000, 0.0010064900000000, 0.0000783500000000 ] - [ -0.0001268800000000, 0.0001471800000000, -0.0005271900000000 ] - [ 0.0048219000000000, 0.0023804200000000, 0.0063405600000000 ] - [ 0.0000530800000000, -0.0002315200000000, 0.0003926600000000 ] - [ 0.0000623400000000, -0.0004141200000000, -0.0000581500000000 ] - [ -0.0001662600000000, -0.0000082100000000, -0.0002679200000000 ] - [ -0.0000383300000000, -0.0000288400000000, -0.0002529000000000 ] - [ -0.0001851600000000, 0.0001894600000000, -0.0002847700000000 ] - [ 0.0002922600000000, -0.0007756900000000, -0.0008505000000000 ] - [ -0.0000377100000000, -0.0001620300000000, -0.0001651300000000 ] - [ 0.0000004800000000, 0.0000453700000000, -0.0004436400000000 ] - [ 0.0013587500000000, -0.0009411900000000, -0.0004975400000000 ] - [ 0.0002948800000000, -0.0001849900000000, 0.0002489800000000 ] - [ 0.0001782400000000, 0.0005292000000000, -0.0007376800000000 ] - [ 0.0040721600000000, 0.0025918700000000, 0.0005519600000000 ] - [ 0.0000377900000000, -0.0001316300000000, 0.0003189400000000 ] - [ 0.0162539600000000, -0.0308253800000000, -0.0648648700000000 ] - [ -0.0005521400000000, 0.0001468500000000, 0.0003717100000000 ] - [ -0.0043375600000000, 0.0011084800000000, 0.0022509100000000 ] - [ 0.0000989900000000, 0.0000291000000000, -0.0000517000000000 ] - [ 0.0001298800000000, -0.0000539500000000, 0.0001236900000000 ] - [ -0.0037723500000000, 0.0041958100000000, 0.0050282100000000 ] - [ 0.0003496100000000, -0.0001036600000000, 0.0005533200000000 ] - [ -0.0000851900000000, 0.0000222500000000, -0.0001472700000000 ] - [ -0.0000633100000000, -0.0000174100000000, 0.0006246200000000 ] - [ 0.0003698900000000, -0.0003215900000000, -0.0004854900000000 ] - [ 0.0000465200000000, -0.0002693400000000, -0.0002061000000000 ] - [ -0.0001079100000000, 0.0001539500000000, 0.0004411400000000 ] - [ 0.0001052200000000, -0.0004438400000000, 0.0007499300000000 ] - [ 0.0003305000000000, 0.0001070900000000, 0.0003510600000000 ] - [ 0.0000974400000000, -0.0004826500000000, 0.0004863800000000 ] - [ 0.0015810700000000, -0.0018486700000000, 0.0025251900000000 ] - [ 0.0000860200000000, 0.0001223400000000, 0.0003570500000000 ] - [ 0.0004396400000000, -0.0003480600000000, 0.0001695100000000 ] - [ -0.0019205900000000, 0.0010831600000000, -0.0003790200000000 ] - [ 0.0000367600000000, 0.0001922900000000, -0.0001369800000000 ] - [ 0.0000414600000000, -0.0001612300000000, -0.0004250000000000 ] - [ 0.0000115900000000, 0.0002157400000000, -0.0004881900000000 ] - [ -0.0000151000000000, 0.0001103000000000, -0.0000371900000000 ] - [ -0.0002310200000000, -0.0002013900000000, 0.0000109400000000 ] - [ -0.0001876200000000, -0.0004123800000000, 0.0002528400000000 ] - [ -0.0003660500000000, 0.0003524200000000, 0.0000107300000000 ] - [ 0.0002364000000000, 0.0004807800000000, 0.0004459000000000 ] - [ -0.0002671600000000, -0.0002181600000000, -0.0004231800000000 ] - [ -0.0000767000000000, 0.0000695200000000, 0.0000115900000000 ] - [ -0.0001715100000000, -0.0000730100000000, 0.0000623700000000 ] - [ 0.0001213800000000, 0.0001044000000000, 0.0000937300000000 ] - [ -0.0005287800000000, -0.0002663300000000, -0.0004237800000000 ] - [ -0.0000297600000000, -0.0001403700000000, 0.0003556200000000 ] - [ -0.0001767500000000, 0.0000672100000000, -0.0003261000000000 ] - [ -0.0001922000000000, 0.0001493600000000, 0.0002170500000000 ] - [ 0.0000166200000000, 0.0000448500000000, 0.0005811600000000 ] - [ -0.0006832500000000, -0.0006319500000000, 0.0006672000000000 ] - [ -0.0001003300000000, 0.0001037800000000, 0.0002009500000000 ] - [ 0.0008056200000000, 0.0008637600000000, -0.0001070400000000 ] - [ 0.0003773600000000, 0.0000944700000000, 0.0006150100000000 ] - [ 0.0000573300000000, 0.0002136800000000, -0.0002269400000000 ] - [ 0.0000850500000000, 0.0000351600000000, -0.0000574200000000 ] - [ 0.0000876400000000, 0.0000883500000000, 0.0005136300000000 ] - [ 0.0011794500000000, -0.0008486900000000, -0.0013947600000000 ] - [ 0.0000351900000000, 0.0000224400000000, -0.0003310100000000 ] - [ -0.0001544600000000, -0.0000364700000000, -0.0002067800000000 ] - [ 0.0000921500000000, 0.0000153600000000, -0.0003141700000000 ] - [ -0.0000687000000000, 0.0000778200000000, 0.0002042400000000 ] - [ 0.0004118800000000, 0.0007083400000000, 0.0007798100000000 ] - [ 0.0002148200000000, -0.0000454700000000, 0.0001694500000000 ] - [ 0.0000843900000000, 0.0002003700000000, 0.0000103400000000 ] - [ 0.0000700100000000, -0.0000587900000000, 0.0007792200000000 ] - [ 0.0006929600000000, 0.0010270500000000, 0.0009586600000000 ] - [ 0.0000239800000000, 0.0002249600000000, 0.0004601200000000 ] - [ 0.0001972400000000, -0.0002251200000000, -0.0002033500000000 ] - [ -0.0005161700000000, -0.0006535400000000, -0.0003799000000000 ] - [ -0.0002005600000000, -0.0002060200000000, 0.0004714300000000 ] - [ -0.0003551000000000, 0.0005046200000000, 0.0003046400000000 ] - [ -0.0001223800000000, -0.0000687500000000, 0.0004455300000000 ] - [ 0.0000799300000000, -0.0000295600000000, 0.0003785800000000 ] - [ -0.0015159500000000, 0.0037206800000000, 0.0029352700000000 ] - [ 0.0005068200000000, -0.0013580200000000, 0.0004447000000000 ] - [ 0.0004907200000000, -0.0000234200000000, -0.0007509600000000 ] - [ -0.0256946700000000, 0.0220621300000000, 0.0284877900000000 ] - [ -0.0002099100000000, -0.0002328900000000, 0.0007862200000000 ] - [ 0.0001657900000000, -0.0003888900000000, -0.0014443600000000 ] - [ -0.0003819500000000, -0.0001673900000000, 0.0002352800000000 ] - [ -0.0001472600000000, 0.0003066400000000, 0.0003575200000000 ] - [ 0.0002452200000000, 0.0001363000000000, -0.0007360000000000 ] - [ 0.0000282700000000, -0.0001147700000000, -0.0004882800000000 ] - [ 0.0003314400000000, -0.0003417100000000, 0.0003041200000000 ] - [ 0.0002471400000000, 0.0003344300000000, -0.0001609800000000 ] - [ -0.0003135300000000, -0.0005310200000000, -0.0003297900000000 ] - [ 0.0002816800000000, -0.0000972700000000, -0.0003992000000000 ] - [ -0.0019605900000000, 0.0013957500000000, -0.0006049600000000 ] - [ -0.0004044200000000, 0.0003342400000000, -0.0014495800000000 ] - [ 0.0004397800000000, -0.0001220900000000, -0.0004749400000000 ]- atom: 40 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0085984500000000, -0.0005001300000000, -0.0135551100000000 ] - [ 0.0002130100000000, 0.0000391700000000, -0.0004327300000000 ] - [ -0.0000488700000000, 0.0004744700000000, -0.0000978600000000 ] - [ 0.0001889200000000, 0.0005036700000000, -0.0003856600000000 ] - [ 0.0000211100000000, -0.0003064100000000, 0.0000089800000000 ] - [ 0.0003926600000000, 0.0000031500000000, 0.0001027200000000 ] - [ -0.0000440900000000, 0.0002748500000000, 0.0001158400000000 ] - [ -0.0003509200000000, -0.0000064500000000, 0.0001511800000000 ] - [ -0.0008287600000000, 0.0002901200000000, -0.0002980600000000 ] - [ 0.0001041000000000, 0.0004933600000000, -0.0001116000000000 ] - [ 0.0000493300000000, 0.0002477300000000, 0.0009523900000000 ] - [ -0.0000558800000000, -0.0001135900000000, 0.0001584900000000 ] - [ -0.0005721000000000, -0.0004582100000000, -0.0010392900000000 ] - [ 0.0000233000000000, 0.0000853700000000, 0.0001231500000000 ] - [ 0.0003044400000000, 0.0002524900000000, 0.0008919800000000 ] - [ -0.0002811000000000, -0.0003176300000000, 0.0015531900000000 ] - [ 0.0005084700000000, -0.0003477200000000, -0.0002165900000000 ] - [ 0.0018510500000000, 0.0027813400000000, -0.0047133000000000 ] - [ 0.0001215700000000, 0.0001298900000000, -0.0003661300000000 ] - [ -0.0002397500000000, -0.0001184900000000, 0.0000327200000000 ] - [ -0.0000898100000000, -0.0000192400000000, 0.0001774900000000 ] - [ 0.0000628700000000, 0.0002680800000000, 0.0002398100000000 ] - [ 0.0001402200000000, 0.0000769000000000, -0.0003852200000000 ] - [ 0.0003837500000000, -0.0008040100000000, -0.0000773000000000 ] - [ -0.0003617600000000, -0.0001453400000000, 0.0005277000000000 ] - [ -0.0049879300000000, -0.0024608000000000, -0.0066551900000000 ] - [ 0.0001472100000000, 0.0002318100000000, -0.0003934400000000 ] - [ -0.0000616300000000, -0.0000735200000000, 0.0000569600000000 ] - [ 0.0001665100000000, 0.0000078100000000, 0.0000370400000000 ] - [ -0.0001595800000000, 0.0000293400000000, 0.0002531900000000 ] - [ 0.0001867100000000, -0.0001887700000000, 0.0005184800000000 ] - [ -0.0002969400000000, 0.0005817000000000, 0.0008567700000000 ] - [ 0.0000373900000000, 0.0001645400000000, 0.0001654700000000 ] - [ -0.0000015200000000, -0.0000464200000000, 0.0004454300000000 ] - [ -0.0013637500000000, 0.0009486600000000, 0.0005002400000000 ] - [ -0.0002936700000000, 0.0001855600000000, -0.0002500500000000 ] - [ -0.0002902900000000, -0.0006538000000000, 0.0004020900000000 ] - [ -0.0040905900000000, -0.0026364000000000, -0.0010101200000000 ] - [ -0.0001856900000000, -0.0000167500000000, -0.0003165000000000 ] - [ -0.0171895800000000, 0.0307491500000000, 0.0649990700000000 ] - [ 0.0004277300000000, -0.0002556900000000, -0.0007074400000000 ] - [ 0.0042536600000000, -0.0009561900000000, -0.0022804500000000 ] - [ -0.0001361600000000, -0.0000131900000000, 0.0005004100000000 ] - [ 0.0000204600000000, 0.0002000100000000, -0.0001207400000000 ] - [ 0.0037739000000000, -0.0042209500000000, -0.0045498500000000 ] - [ -0.0002034700000000, -0.0000422500000000, -0.0005596300000000 ] - [ -0.0000640800000000, 0.0001257600000000, 0.0001439100000000 ] - [ 0.0002130700000000, 0.0001680000000000, -0.0006242200000000 ] - [ -0.0003329100000000, 0.0003394000000000, 0.0000377100000000 ] - [ 0.0000739400000000, 0.0001565900000000, 0.0005463700000000 ] - [ -0.0000153300000000, -0.0000410200000000, -0.0001042500000000 ] - [ 0.0000215000000000, 0.0005574500000000, -0.0010826900000000 ] - [ -0.0001836900000000, -0.0002577600000000, -0.0003572800000000 ] - [ -0.0000803700000000, 0.0005260900000000, -0.0009410800000000 ] - [ -0.0017155400000000, 0.0019968200000000, -0.0022100600000000 ] - [ 0.0000254400000000, -0.0002495700000000, -0.0000219500000000 ] - [ -0.0000552200000000, 0.0002861400000000, 0.0002325400000000 ] - [ 0.0022886500000000, -0.0010089000000000, -0.0000287700000000 ] - [ -0.0000013200000000, -0.0002079600000000, 0.0005844600000000 ] - [ -0.0001049700000000, -0.0002242400000000, 0.0000246000000000 ] - [ -0.0000761300000000, 0.0001689500000000, 0.0008904900000000 ] - [ 0.0000771400000000, 0.0002750200000000, -0.0003654700000000 ] - [ -0.0001541800000000, 0.0001390100000000, -0.0004128200000000 ] - [ 0.0001698200000000, 0.0004443100000000, 0.0001952000000000 ] - [ 0.0002228300000000, -0.0005038300000000, -0.0000066200000000 ] - [ -0.0006253000000000, -0.0004213800000000, -0.0000455800000000 ] - [ 0.0003809100000000, 0.0003402700000000, 0.0000846400000000 ] - [ 0.0000395600000000, -0.0000867500000000, -0.0004604300000000 ] - [ 0.0000573700000000, -0.0000512500000000, -0.0004006100000000 ] - [ -0.0001385700000000, -0.0001416800000000, -0.0005425400000000 ] - [ 0.0003823900000000, 0.0001159400000000, 0.0004283300000000 ] - [ 0.0000921900000000, -0.0002448800000000, 0.0000453200000000 ] - [ 0.0000542200000000, -0.0001829200000000, -0.0000096300000000 ] - [ 0.0000455700000000, -0.0000021100000000, -0.0002213400000000 ] - [ -0.0000554400000000, -0.0000282100000000, -0.0001348800000000 ] - [ 0.0008369800000000, 0.0007838600000000, -0.0006682100000000 ] - [ 0.0001169100000000, -0.0001410000000000, 0.0002479300000000 ] - [ -0.0006575500000000, -0.0010105500000000, 0.0001038400000000 ] - [ -0.0005308400000000, 0.0000511300000000, -0.0006231800000000 ] - [ 0.0000877200000000, -0.0000648900000000, 0.0002313000000000 ] - [ -0.0000479000000000, -0.0000194600000000, -0.0003911500000000 ] - [ 0.0000358100000000, -0.0002038600000000, -0.0001776800000000 ] - [ -0.0013094200000000, 0.0009774400000000, 0.0017368500000000 ] - [ 0.0000878300000000, 0.0000913400000000, -0.0000063800000000 ] - [ 0.0003008200000000, -0.0001127400000000, 0.0002039200000000 ] - [ -0.0000780100000000, 0.0000216000000000, -0.0001335900000000 ] - [ -0.0000467200000000, 0.0000455900000000, 0.0001325300000000 ] - [ -0.0002959300000000, -0.0008298900000000, -0.0004414200000000 ] - [ 0.0001698400000000, -0.0000174900000000, 0.0002324200000000 ] - [ 0.0003010300000000, -0.0001377000000000, -0.0004134000000000 ] - [ -0.0000313700000000, 0.0000460900000000, -0.0003377500000000 ] - [ -0.0007231600000000, -0.0014001700000000, -0.0013277200000000 ] - [ -0.0000866400000000, 0.0001598400000000, -0.0000600000000000 ] - [ -0.0001323900000000, 0.0006068400000000, -0.0001960500000000 ] - [ 0.0001410600000000, 0.0006016800000000, -0.0000297100000000 ] - [ 0.0001813100000000, 0.0002443100000000, -0.0000212000000000 ] - [ 0.0002078700000000, -0.0006532600000000, -0.0003021600000000 ] - [ -0.0002663100000000, 0.0001324100000000, -0.0000459000000000 ] - [ 0.0000342100000000, 0.0001539600000000, -0.0007183800000000 ] - [ 0.0014814800000000, -0.0038190600000000, -0.0034472800000000 ] - [ -0.0012617400000000, 0.0017644700000000, -0.0007407000000000 ] - [ -0.0000808300000000, -0.0007232500000000, 0.0004851300000000 ] - [ 0.0267601800000000, -0.0219314800000000, -0.0284740200000000 ] - [ -0.0001962600000000, -0.0005142000000000, -0.0005202300000000 ] - [ 0.0005922200000000, 0.0008060600000000, 0.0017241800000000 ] - [ -0.0003623300000000, -0.0002399100000000, 0.0000327700000000 ] - [ -0.0002558000000000, 0.0004398800000000, -0.0006253400000000 ] - [ 0.0005024000000000, -0.0005473900000000, 0.0004707200000000 ] - [ -0.0007759200000000, 0.0005242700000000, 0.0002225300000000 ] - [ 0.0000763200000000, -0.0004015200000000, -0.0005735000000000 ] - [ 0.0001555700000000, 0.0004148100000000, 0.0004269700000000 ] - [ -0.0000933400000000, -0.0002147000000000, 0.0005995100000000 ] - [ 0.0004682600000000, 0.0005062100000000, 0.0006693100000000 ] - [ 0.0012229200000000, -0.0018126000000000, 0.0008707200000000 ] - [ -0.0000147200000000, 0.0004025800000000, 0.0011821900000000 ] - [ 0.0002987700000000, -0.0002837400000000, 0.0002102600000000 ]- atom: 101 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0030531000000000, -0.0024769400000000, -0.0008944000000000 ] - [ 0.0022266500000000, -0.0011446800000000, 0.0027995300000000 ] - [ 0.0001199600000000, 0.0005488300000000, -0.0001391700000000 ] - [ -0.0007858700000000, 0.0002309500000000, -0.0001020900000000 ] - [ -0.0000123000000000, -0.0004163600000000, -0.0001163200000000 ] - [ 0.0005193200000000, 0.0000000200000000, 0.0000211300000000 ] - [ 0.0001069100000000, -0.0000485700000000, -0.0002876800000000 ] - [ -0.0001686800000000, 0.0001637000000000, -0.0000844500000000 ] - [ -0.0041981500000000, 0.0002801000000000, -0.0029207600000000 ] - [ 0.0033740600000000, 0.0039892500000000, 0.0022117600000000 ] - [ -0.0041677300000000, 0.0034203500000000, -0.0009228400000000 ] - [ 0.0001954200000000, 0.0002158900000000, 0.0002446800000000 ] - [ 0.0007581000000000, 0.0000269000000000, -0.0001727000000000 ] - [ 0.0007997900000000, 0.0000925900000000, -0.0000355000000000 ] - [ 0.0017310200000000, 0.0007693100000000, 0.0018801100000000 ] - [ 0.0001337800000000, -0.0002850000000000, 0.0001974100000000 ] - [ 0.0009217400000000, -0.0001682200000000, -0.0001590900000000 ] - [ 0.0027274300000000, -0.0020650600000000, -0.0038969000000000 ] - [ -0.0045660200000000, 0.0018631200000000, -0.0015425300000000 ] - [ 0.0081858600000000, 0.0013162500000000, -0.0005452300000000 ] - [ 0.0005975400000000, -0.0001269100000000, 0.0000163500000000 ] - [ 0.0001522600000000, 0.0003724600000000, 0.0002278500000000 ] - [ 0.0008491500000000, 0.0000175200000000, 0.0000214600000000 ] - [ -0.0000502900000000, 0.0000587900000000, 0.0002634700000000 ] - [ -0.0010603900000000, -0.0005250200000000, -0.0001281300000000 ] - [ -0.0019911500000000, 0.0021151100000000, 0.0017253700000000 ] - [ 0.0001234300000000, 0.0001389300000000, 0.0001491800000000 ] - [ 0.0023013400000000, -0.0018927800000000, 0.0006486500000000 ] - [ -0.0008567700000000, -0.0001842300000000, -0.0005371600000000 ] - [ 0.0002933700000000, -0.0005280000000000, -0.0002587800000000 ] - [ 0.0006791000000000, -0.0000876300000000, 0.0001938500000000 ] - [ 0.0000909900000000, -0.0000379800000000, -0.0001167500000000 ] - [ -0.0058060500000000, -0.0050078300000000, -0.0024970200000000 ] - [ -0.0010218700000000, -0.0002828600000000, 0.0001912700000000 ] - [ 0.0006307500000000, -0.0001521500000000, -0.0000423700000000 ] - [ 0.0009713500000000, 0.0001987700000000, 0.0001864000000000 ] - [ 0.0367258600000000, 0.0321629500000000, -0.0308732200000000 ] - [ -0.0013518400000000, 0.0001760600000000, -0.0004353100000000 ] - [ 0.0001890100000000, -0.0003760200000000, 0.0003818200000000 ] - [ -0.0004786200000000, 0.0009058100000000, 0.0010893600000000 ] - [ -0.0002766600000000, -0.0011072100000000, 0.0008602100000000 ] - [ -0.0006861800000000, 0.0004755000000000, 0.0002124500000000 ] - [ -0.0004708700000000, -0.0015232200000000, 0.0007950600000000 ] - [ 0.0009818300000000, 0.0003784800000000, -0.0001702400000000 ] - [ 0.0282521000000000, -0.0207970500000000, 0.0272922700000000 ] - [ 0.0005419200000000, 0.0001312600000000, -0.0000005400000000 ] - [ -0.0007577800000000, -0.0002693700000000, -0.0000634900000000 ] - [ 0.0000838200000000, 0.0010442400000000, -0.0016651600000000 ] - [ -0.0009377000000000, -0.0005684800000000, -0.0010637300000000 ] - [ -0.0008043400000000, -0.0003554100000000, -0.0001124600000000 ] - [ 0.0001027200000000, -0.0003521400000000, 0.0010118900000000 ] - [ 0.0004579700000000, 0.0008278100000000, -0.0000888900000000 ] - [ 0.0017122600000000, -0.0006847200000000, -0.0000278700000000 ] - [ 0.0006638100000000, 0.0000710400000000, -0.0003655100000000 ] - [ 0.0007929500000000, 0.0002297700000000, 0.0002036300000000 ] - [ -0.0011130800000000, -0.0001397600000000, -0.0001706900000000 ] - [ 0.0005525000000000, 0.0000735800000000, 0.0002368300000000 ] - [ 0.0323967700000000, 0.0264611000000000, 0.0214727200000000 ] - [ -0.0004267000000000, 0.0015581400000000, -0.0013777300000000 ] - [ 0.0007594700000000, 0.0000929900000000, -0.0002941500000000 ] - [ -0.0008260300000000, -0.0008975400000000, 0.0001298300000000 ] - [ -0.0002643100000000, 0.0001671100000000, -0.0001921100000000 ] - [ -0.0005897700000000, -0.0001544000000000, -0.0000430600000000 ] - [ 0.0004041100000000, 0.0001923400000000, 0.0000029100000000 ] - [ 0.0365796700000000, -0.0197599400000000, -0.0197733500000000 ] - [ 0.0002810700000000, -0.0002253400000000, 0.0005517100000000 ] - [ 0.0006872600000000, 0.0002363900000000, -0.0006973300000000 ] - [ -0.0008818800000000, 0.0000656300000000, 0.0003176600000000 ] - [ -0.0004039700000000, -0.0000393900000000, -0.0000715700000000 ] - [ 0.0005285800000000, 0.0000632800000000, -0.0000120400000000 ] - [ -0.0009715100000000, -0.0003663600000000, 0.0000829200000000 ] - [ -0.0004473400000000, -0.0001531800000000, 0.0006041500000000 ] - [ -0.0005305700000000, -0.0003375200000000, 0.0001144000000000 ] - [ -0.0019642100000000, 0.0027161200000000, 0.0021054000000000 ] - [ -0.0003730300000000, -0.0000325700000000, 0.0003425000000000 ] - [ -0.0004408000000000, 0.0001513700000000, 0.0000258500000000 ] - [ -0.0002983900000000, -0.0000213700000000, 0.0001897600000000 ] - [ -0.0010737000000000, -0.0001061100000000, -0.0001876600000000 ] - [ 0.0004069800000000, -0.0000512900000000, -0.0000432300000000 ] - [ -0.0007961500000000, 0.0006789900000000, -0.0002349300000000 ] - [ -0.0002096300000000, -0.0003093000000000, -0.0006297000000000 ] - [ 0.0003330100000000, -0.0003933800000000, -0.0000426500000000 ] - [ -0.0003691000000000, 0.0002323100000000, 0.0002107200000000 ] - [ -0.0006244000000000, 0.0000615000000000, -0.0007029700000000 ] - [ -0.0004430700000000, -0.0003453500000000, -0.0001852200000000 ] - [ -0.0004628300000000, 0.0000156600000000, -0.0000970000000000 ] - [ -0.0007016800000000, 0.0003798500000000, 0.0001572000000000 ] - [ 0.0002147100000000, -0.0003342100000000, -0.0000347100000000 ] - [ -0.0001810200000000, 0.0000277600000000, 0.0002689600000000 ] - [ -0.0001581500000000, 0.0000867700000000, -0.0002426100000000 ] - [ -0.0001527600000000, 0.0003186300000000, -0.0000093300000000 ] - [ -0.0002723800000000, 0.0001405100000000, -0.0004169100000000 ] - [ 0.0000176200000000, 0.0000740200000000, 0.0003301100000000 ] - [ -0.0005381800000000, -0.0003383300000000, 0.0013877700000000 ] - [ 0.0003106000000000, -0.0000560100000000, -0.0003425200000000 ] - [ -0.0006489600000000, 0.0000455300000000, 0.0006112800000000 ] - [ -0.0004290700000000, -0.0000097400000000, 0.0000023600000000 ] - [ -0.0013203200000000, -0.0001402900000000, 0.0002307400000000 ] - [ -0.0003919300000000, 0.0000762900000000, -0.0003590700000000 ] - [ 0.0002723700000000, 0.0003462100000000, 0.0003094100000000 ] - [ -0.1376220500000000, -0.0192969600000000, 0.0042106000000000 ] - [ 0.0014527500000000, 0.0003011200000000, -0.0008027600000000 ] - [ 0.0015648300000000, -0.0003072700000000, -0.0005016200000000 ] - [ 0.0009678100000000, 0.0003055500000000, 0.0002999000000000 ] - [ 0.0021884100000000, 0.0003884300000000, 0.0005131700000000 ] - [ 0.0004266100000000, -0.0002962000000000, 0.0003406500000000 ] - [ 0.0008603600000000, -0.0011109200000000, 0.0015753400000000 ] - [ 0.0011398000000000, -0.0001318700000000, -0.0002319500000000 ] - [ 0.0001569100000000, 0.0002508600000000, -0.0001798100000000 ] - [ 0.0014374900000000, 0.0003014200000000, -0.0008300900000000 ] - [ 0.0017280300000000, 0.0005605300000000, -0.0017078600000000 ] - [ 0.0003842500000000, -0.0005604300000000, 0.0002017100000000 ] - [ -0.0007281700000000, 0.0003683300000000, 0.0000601200000000 ] - [ -0.0012112700000000, 0.0000743300000000, 0.0003852300000000 ] - [ 0.0004054500000000, -0.0011120300000000, 0.0004390700000000 ] - [ -0.0001884300000000, -0.0005435000000000, 0.0001447900000000 ]- atom: 101 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0030466800000000, 0.0017400900000000, 0.0009008700000000 ] - [ -0.0014892600000000, 0.0011354000000000, -0.0028022700000000 ] - [ -0.0001189100000000, 0.0001874600000000, 0.0001376700000000 ] - [ 0.0000516400000000, -0.0002314900000000, 0.0001018900000000 ] - [ 0.0000140600000000, -0.0003173500000000, 0.0001151900000000 ] - [ 0.0002164200000000, 0.0000004800000000, -0.0000212800000000 ] - [ -0.0001072200000000, 0.0007852900000000, 0.0002886500000000 ] - [ -0.0005652200000000, -0.0001614700000000, 0.0000840200000000 ] - [ 0.0042024500000000, -0.0002525900000000, 0.0031442400000000 ] - [ -0.0033696700000000, -0.0034814000000000, -0.0022230300000000 ] - [ 0.0046663400000000, -0.0034123900000000, 0.0008948500000000 ] - [ -0.0001944800000000, -0.0000177900000000, -0.0002457700000000 ] - [ -0.0012488600000000, -0.0000268100000000, 0.0001703000000000 ] - [ -0.0007968300000000, -0.0000922200000000, -0.0001936100000000 ] - [ -0.0015364900000000, -0.0007777200000000, -0.0018782900000000 ] - [ -0.0001339400000000, -0.0002055200000000, -0.0001990600000000 ] - [ -0.0009192900000000, 0.0001662600000000, -0.0000698300000000 ] - [ -0.0029228900000000, 0.0020760600000000, 0.0038829900000000 ] - [ 0.0045756500000000, -0.0018693600000000, 0.0017769300000000 ] - [ -0.0082714700000000, -0.0015223200000000, 0.0005552700000000 ] - [ -0.0005974800000000, 0.0001277900000000, 0.0002117400000000 ] - [ -0.0001520900000000, 0.0001198000000000, -0.0002270000000000 ] - [ -0.0003573100000000, -0.0000173700000000, -0.0000225300000000 ] - [ 0.0000497200000000, 0.0001382600000000, -0.0002637500000000 ] - [ 0.0005691100000000, 0.0005256600000000, 0.0001269900000000 ] - [ 0.0019831800000000, -0.0021157400000000, -0.0019549800000000 ] - [ 0.0000754200000000, -0.0001370200000000, -0.0001485100000000 ] - [ -0.0022964800000000, 0.0013966600000000, -0.0006364600000000 ] - [ 0.0008575600000000, 0.0001843600000000, 0.0003080800000000 ] - [ -0.0004903500000000, 0.0005272500000000, 0.0002578600000000 ] - [ -0.0006784300000000, 0.0000873800000000, 0.0000356200000000 ] - [ -0.0000905800000000, -0.0001592500000000, 0.0001167300000000 ] - [ 0.0058089600000000, 0.0050137800000000, 0.0024979600000000 ] - [ 0.0010255000000000, 0.0002840000000000, -0.0001912200000000 ] - [ -0.0006297400000000, 0.0001523700000000, 0.0000420100000000 ] - [ -0.0009725700000000, -0.0001986800000000, -0.0001879500000000 ] - [ -0.0364609500000000, -0.0314169000000000, 0.0297225100000000 ] - [ 0.0013287700000000, -0.0002147100000000, -0.0000135300000000 ] - [ -0.0003319000000000, 0.0002313200000000, -0.0003802800000000 ] - [ 0.0005300400000000, -0.0012787800000000, -0.0006792500000000 ] - [ 0.0001664200000000, 0.0010040300000000, -0.0012096700000000 ] - [ 0.0005423400000000, -0.0003275100000000, -0.0002154900000000 ] - [ 0.0004327500000000, 0.0015472400000000, -0.0003475800000000 ] - [ -0.0008330300000000, -0.0002329500000000, 0.0001737300000000 ] - [ -0.0280026200000000, 0.0202188400000000, -0.0261484000000000 ] - [ -0.0003950100000000, -0.0002755600000000, -0.0000031200000000 ] - [ 0.0006115600000000, 0.0004130000000000, 0.0000594600000000 ] - [ 0.0000597000000000, -0.0009019600000000, 0.0016756700000000 ] - [ 0.0009742400000000, 0.0005884600000000, 0.0006097700000000 ] - [ 0.0009248200000000, 0.0002458300000000, 0.0004530300000000 ] - [ -0.0002234100000000, 0.0004636600000000, -0.0006710000000000 ] - [ -0.0003352300000000, -0.0007154600000000, -0.0002510000000000 ] - [ -0.0015785800000000, 0.0005261900000000, 0.0000091100000000 ] - [ -0.0006464300000000, -0.0000324900000000, -0.0000827700000000 ] - [ -0.0009042500000000, -0.0001068900000000, 0.0001356100000000 ] - [ 0.0012225900000000, 0.0000165900000000, 0.0005056100000000 ] - [ -0.0001705000000000, -0.0001362300000000, 0.0001687600000000 ] - [ -0.0323534000000000, -0.0271534500000000, -0.0225210400000000 ] - [ 0.0004713200000000, -0.0015857400000000, 0.0018351700000000 ] - [ -0.0008222200000000, -0.0004787900000000, -0.0001067500000000 ] - [ 0.0007586400000000, 0.0012716300000000, 0.0002710700000000 ] - [ 0.0003287900000000, 0.0002173400000000, -0.0002117100000000 ] - [ 0.0002068600000000, 0.0000910300000000, -0.0003587900000000 ] - [ -0.0004213400000000, -0.0001535400000000, 0.0004447500000000 ] - [ -0.0374099000000000, 0.0204190700000000, 0.0205474700000000 ] - [ -0.0006639200000000, 0.0002889700000000, -0.0001482300000000 ] - [ -0.0005735100000000, -0.0001140600000000, 0.0003575500000000 ] - [ 0.0008302200000000, -0.0000833900000000, -0.0007596400000000 ] - [ 0.0002915400000000, -0.0000825400000000, -0.0002667900000000 ] - [ -0.0005472100000000, -0.0001014900000000, -0.0004359300000000 ] - [ 0.0008321700000000, 0.0002195900000000, -0.0000774900000000 ] - [ 0.0005108400000000, -0.0002289500000000, -0.0002003600000000 ] - [ 0.0004094500000000, 0.0002251700000000, -0.0004531600000000 ] - [ 0.0018221100000000, -0.0025642800000000, -0.0021082800000000 ] - [ 0.0003359900000000, 0.0000518600000000, 0.0001042400000000 ] - [ 0.0005882000000000, -0.0000068500000000, -0.0000223400000000 ] - [ 0.0003170900000000, -0.0000161300000000, 0.0002578100000000 ] - [ 0.0012216500000000, -0.0000405500000000, 0.0001840700000000 ] - [ -0.0005534000000000, 0.0001960400000000, 0.0000394200000000 ] - [ 0.0009414900000000, -0.0005334400000000, 0.0002380900000000 ] - [ 0.0002475700000000, 0.0003279900000000, 0.0001812700000000 ] - [ -0.0002110200000000, 0.0002800300000000, 0.0003800400000000 ] - [ 0.0002466900000000, -0.0001180000000000, 0.0001287400000000 ] - [ 0.0007489900000000, 0.0000507400000000, 0.0003660000000000 ] - [ 0.0005863100000000, 0.0001992400000000, 0.0001808200000000 ] - [ 0.0004805700000000, 0.0000225700000000, -0.0003511100000000 ] - [ 0.0005887200000000, -0.0002568700000000, 0.0001813900000000 ] - [ -0.0001024100000000, 0.0002126900000000, 0.0003731500000000 ] - [ 0.0005643800000000, -0.0000908800000000, 0.0001340900000000 ] - [ 0.0005416200000000, -0.0000224800000000, -0.0001608000000000 ] - [ 0.0001918900000000, -0.0003362700000000, 0.0004560800000000 ] - [ 0.0002155100000000, -0.0005242000000000, 0.0000097500000000 ] - [ -0.0000816200000000, 0.0003098700000000, 0.0000720400000000 ] - [ 0.0006020500000000, 0.0007211600000000, -0.0017956900000000 ] - [ -0.0006932000000000, -0.0000067600000000, -0.0000603400000000 ] - [ 0.0006313700000000, -0.0000070500000000, -0.0001631800000000 ] - [ 0.0002831200000000, -0.0001338700000000, 0.0000005700000000 ] - [ 0.0009390400000000, 0.0002048600000000, 0.0001697600000000 ] - [ 0.0005048800000000, 0.0000453700000000, 0.0000202300000000 ] - [ -0.0003104400000000, -0.0003630000000000, -0.0007560400000000 ] - [ 0.1373178900000000, 0.0192755900000000, -0.0044231500000000 ] - [ -0.0010512900000000, -0.0010522000000000, 0.0005407700000000 ] - [ -0.0011479500000000, 0.0010484400000000, 0.0007604000000000 ] - [ -0.0013675400000000, -0.0010490800000000, -0.0000266100000000 ] - [ -0.0014376100000000, 0.0000236000000000, -0.0002420400000000 ] - [ -0.0011716900000000, -0.0001132500000000, -0.0000730500000000 ] - [ -0.0012768100000000, 0.0018652600000000, -0.0018522500000000 ] - [ -0.0003935900000000, -0.0002760600000000, -0.0000363900000000 ] - [ -0.0009074600000000, 0.0001538500000000, -0.0000836600000000 ] - [ -0.0010348600000000, -0.0010520800000000, 0.0005681100000000 ] - [ -0.0013157700000000, 0.0001790500000000, 0.0019653700000000 ] - [ -0.0007869700000000, -0.0001788000000000, 0.0000693800000000 ] - [ 0.0014805500000000, 0.0000370700000000, 0.0002028600000000 ] - [ 0.0004649300000000, -0.0004823900000000, -0.0001208700000000 ] - [ -0.0008221700000000, 0.0018648600000000, -0.0007073700000000 ] - [ 0.0009337800000000, 0.0001359400000000, -0.0004128800000000 ]- atom: 101 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0027326700000000, 0.0013805100000000, 0.0010258900000000 ] - [ 0.0026576700000000, -0.0023547500000000, 0.0026204700000000 ] - [ 0.0000774600000000, 0.0005641600000000, -0.0001352200000000 ] - [ -0.0005421200000000, 0.0005018000000000, -0.0000085500000000 ] - [ -0.0000217200000000, -0.0002141900000000, 0.0000030800000000 ] - [ 0.0004381400000000, 0.0003245800000000, 0.0000289300000000 ] - [ 0.0001029200000000, -0.0000765800000000, -0.0002454700000000 ] - [ -0.0004844600000000, -0.0004545100000000, 0.0000816000000000 ] - [ 0.0004848800000000, 0.0089887200000000, -0.0014858500000000 ] - [ 0.0038008600000000, 0.0032268000000000, 0.0022186100000000 ] - [ 0.0032343600000000, -0.0043911200000000, -0.0001927400000000 ] - [ 0.0001305500000000, -0.0006990500000000, 0.0005427100000000 ] - [ 0.0001612600000000, -0.0008543300000000, 0.0001932900000000 ] - [ -0.0001841800000000, 0.0001228700000000, -0.0000475100000000 ] - [ -0.0016419400000000, -0.0020820800000000, -0.0020290300000000 ] - [ -0.0001413100000000, -0.0002658100000000, -0.0001073600000000 ] - [ -0.0002473800000000, 0.0001796900000000, -0.0002012300000000 ] - [ 0.0015159800000000, -0.0046493200000000, -0.0020164400000000 ] - [ -0.0022339200000000, 0.0032963600000000, -0.0035896200000000 ] - [ 0.0010395800000000, -0.0044536600000000, -0.0032029300000000 ] - [ 0.0001210700000000, 0.0000808500000000, 0.0000667100000000 ] - [ 0.0002280700000000, 0.0005680300000000, 0.0003515100000000 ] - [ 0.0003269600000000, 0.0006076000000000, 0.0001501300000000 ] - [ 0.0001854500000000, 0.0011685600000000, -0.0000690400000000 ] - [ -0.0002005700000000, 0.0009305500000000, 0.0001626100000000 ] - [ -0.0004576500000000, 0.0022849700000000, 0.0016097700000000 ] - [ 0.0000113800000000, 0.0007729300000000, -0.0000883500000000 ] - [ -0.0019599300000000, 0.0014106700000000, -0.0008640400000000 ] - [ -0.0002547300000000, -0.0000294400000000, -0.0000894800000000 ] - [ -0.0002054100000000, 0.0007743500000000, 0.0000989500000000 ] - [ -0.0002167500000000, 0.0001572500000000, -0.0000165900000000 ] - [ -0.0000245400000000, 0.0005532800000000, 0.0000036000000000 ] - [ 0.0010708000000000, 0.0061777700000000, 0.0040898100000000 ] - [ 0.0003019900000000, 0.0002584100000000, -0.0003434900000000 ] - [ 0.0001493100000000, 0.0000556900000000, 0.0001167100000000 ] - [ 0.0006194300000000, 0.0002803000000000, 0.0005966500000000 ] - [ 0.0323050200000000, 0.0414433500000000, -0.0329983800000000 ] - [ -0.0000535600000000, 0.0003820900000000, -0.0003726700000000 ] - [ -0.0000859800000000, -0.0004228800000000, 0.0001154800000000 ] - [ 0.0015802400000000, -0.0006612800000000, -0.0013571400000000 ] - [ -0.0010718300000000, -0.0001704400000000, 0.0008710300000000 ] - [ 0.0000794600000000, 0.0006202300000000, -0.0003026100000000 ] - [ -0.0001991300000000, -0.0007599700000000, 0.0004673100000000 ] - [ 0.0000755900000000, -0.0017628700000000, -0.0000653700000000 ] - [ -0.0204650900000000, 0.0299061600000000, -0.0259248800000000 ] - [ -0.0000337600000000, -0.0006685900000000, 0.0000695500000000 ] - [ -0.0004417500000000, -0.0006551800000000, -0.0000955700000000 ] - [ -0.0000916700000000, -0.0007568300000000, 0.0009854400000000 ] - [ -0.0017825100000000, -0.0015093800000000, -0.0022777700000000 ] - [ -0.0006743200000000, 0.0000724300000000, 0.0004007300000000 ] - [ -0.0001118800000000, 0.0005034200000000, -0.0006778700000000 ] - [ 0.0003197500000000, -0.0008351800000000, 0.0001363900000000 ] - [ -0.0017622100000000, -0.0006210500000000, -0.0017367700000000 ] - [ 0.0002082800000000, 0.0005504400000000, -0.0002498900000000 ] - [ 0.0004885700000000, 0.0007198900000000, 0.0000867600000000 ] - [ -0.0000542400000000, 0.0008532800000000, -0.0000480400000000 ] - [ 0.0001122200000000, 0.0004828500000000, 0.0003945200000000 ] - [ 0.0263699300000000, 0.0388738200000000, 0.0255927100000000 ] - [ 0.0003124400000000, 0.0007721400000000, 0.0006337400000000 ] - [ 0.0003926400000000, -0.0004447300000000, 0.0001023500000000 ] - [ -0.0004906300000000, -0.0005068900000000, 0.0001185300000000 ] - [ -0.0001472400000000, -0.0002264200000000, -0.0001640800000000 ] - [ -0.0002291900000000, 0.0004105300000000, -0.0003092100000000 ] - [ -0.0000644900000000, -0.0011014900000000, 0.0004250200000000 ] - [ -0.0216169100000000, 0.0241831500000000, 0.0164413900000000 ] - [ -0.0001288700000000, -0.0006311600000000, 0.0004852800000000 ] - [ 0.0003641400000000, -0.0011666500000000, -0.0000535900000000 ] - [ 0.0017765900000000, -0.0002618700000000, -0.0010929300000000 ] - [ -0.0001475100000000, -0.0004325400000000, -0.0001932000000000 ] - [ -0.0000859700000000, -0.0004205200000000, -0.0003015500000000 ] - [ -0.0016982500000000, -0.0007552400000000, 0.0002511900000000 ] - [ 0.0002517300000000, -0.0003798700000000, -0.0001192200000000 ] - [ -0.0003696000000000, -0.0005252300000000, 0.0000950500000000 ] - [ 0.0007415500000000, -0.0007204600000000, -0.0007038800000000 ] - [ -0.0003984700000000, 0.0001181600000000, 0.0006269800000000 ] - [ -0.0000646100000000, 0.0005913100000000, -0.0000714400000000 ] - [ 0.0000547800000000, -0.0003648200000000, 0.0001608100000000 ] - [ 0.0001012900000000, 0.0006810200000000, -0.0001674800000000 ] - [ 0.0000944400000000, 0.0005193800000000, -0.0000771900000000 ] - [ -0.0002115000000000, 0.0001820600000000, 0.0001606800000000 ] - [ -0.0002498100000000, -0.0005435000000000, -0.0007001300000000 ] - [ 0.0000562200000000, -0.0004188400000000, -0.0000588000000000 ] - [ 0.0005224900000000, -0.0006830800000000, 0.0001904400000000 ] - [ 0.0002772100000000, 0.0003317400000000, 0.0001577500000000 ] - [ -0.0003791900000000, -0.0004692200000000, -0.0000785000000000 ] - [ -0.0001365600000000, -0.0003655800000000, -0.0001060000000000 ] - [ 0.0001623900000000, -0.0004146700000000, 0.0001483400000000 ] - [ 0.0000474600000000, -0.0006810800000000, -0.0001037800000000 ] - [ 0.0001476900000000, -0.0005229400000000, 0.0001455100000000 ] - [ 0.0001839000000000, -0.0003244700000000, -0.0002456300000000 ] - [ 0.0001486300000000, -0.0003980100000000, 0.0005987900000000 ] - [ 0.0007598500000000, -0.0011424700000000, 0.0003970300000000 ] - [ -0.0005628300000000, 0.0005243300000000, -0.0001420100000000 ] - [ -0.0005708900000000, -0.0002807900000000, 0.0014019600000000 ] - [ 0.0000094100000000, -0.0012395000000000, -0.0002052000000000 ] - [ -0.0003734300000000, 0.0004733500000000, 0.0005012600000000 ] - [ -0.0000695100000000, -0.0004107200000000, -0.0000418100000000 ] - [ -0.0002507800000000, 0.0004291600000000, 0.0003268500000000 ] - [ 0.0002687800000000, 0.0002292000000000, 0.0001178200000000 ] - [ 0.0003097100000000, -0.0007210000000000, -0.0009800900000000 ] - [ -0.0196661100000000, -0.1427555800000000, 0.0186146500000000 ] - [ 0.0010269800000000, 0.0008596700000000, -0.0008758800000000 ] - [ -0.0014552900000000, 0.0015353800000000, 0.0016050000000000 ] - [ 0.0014633800000000, 0.0009853500000000, 0.0001164100000000 ] - [ 0.0001928900000000, -0.0007132800000000, -0.0001220000000000 ] - [ -0.0002814200000000, 0.0005987000000000, 0.0000527300000000 ] - [ -0.0002896000000000, 0.0009898100000000, -0.0000191300000000 ] - [ 0.0004475300000000, -0.0013045500000000, -0.0003459800000000 ] - [ -0.0003277300000000, 0.0007765200000000, -0.0001740300000000 ] - [ 0.0010262100000000, 0.0008757300000000, -0.0008092700000000 ] - [ -0.0005678400000000, 0.0009580900000000, 0.0017658300000000 ] - [ 0.0005735300000000, 0.0011527100000000, 0.0009590700000000 ] - [ 0.0002096500000000, 0.0010443800000000, 0.0002009400000000 ] - [ -0.0006522400000000, -0.0007862600000000, 0.0004104400000000 ] - [ -0.0002896400000000, 0.0014452000000000, -0.0007838800000000 ] - [ 0.0000325900000000, 0.0017202300000000, -0.0004069900000000 ]- atom: 101 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0027337800000000, -0.0021108100000000, -0.0010153900000000 ] - [ -0.0019293400000000, 0.0023591500000000, -0.0026226200000000 ] - [ -0.0000770500000000, 0.0001723400000000, 0.0001342900000000 ] - [ -0.0001922800000000, -0.0005027800000000, 0.0000084200000000 ] - [ 0.0000211300000000, -0.0005224100000000, -0.0000025700000000 ] - [ 0.0002976800000000, -0.0003238000000000, -0.0000294300000000 ] - [ -0.0001030100000000, 0.0008136100000000, 0.0002466100000000 ] - [ -0.0002500200000000, 0.0004567600000000, -0.0000827100000000 ] - [ -0.0004994100000000, -0.0090979900000000, 0.0017275100000000 ] - [ -0.0037918200000000, -0.0027309700000000, -0.0022296000000000 ] - [ -0.0027370200000000, 0.0043998100000000, 0.0001646100000000 ] - [ -0.0001305100000000, 0.0008958900000000, -0.0005441100000000 ] - [ -0.0006553200000000, 0.0008550500000000, -0.0001936100000000 ] - [ 0.0001861900000000, -0.0001224900000000, -0.0001791400000000 ] - [ 0.0018383000000000, 0.0020762000000000, 0.0020305700000000 ] - [ 0.0001410300000000, -0.0002269500000000, 0.0001050700000000 ] - [ 0.0002487800000000, -0.0001792400000000, -0.0000244100000000 ] - [ -0.0017184500000000, 0.0046596600000000, 0.0020245000000000 ] - [ 0.0022468100000000, -0.0032890900000000, 0.0038019100000000 ] - [ -0.0010167300000000, 0.0042661000000000, 0.0031991800000000 ] - [ -0.0001207400000000, -0.0000800100000000, 0.0001595500000000 ] - [ -0.0002276100000000, -0.0000744900000000, -0.0003514700000000 ] - [ 0.0001673400000000, -0.0006086200000000, -0.0001513100000000 ] - [ -0.0001842900000000, -0.0009734300000000, 0.0000687300000000 ] - [ -0.0002943200000000, -0.0009307000000000, -0.0001616100000000 ] - [ 0.0004480200000000, -0.0022851900000000, -0.0018358400000000 ] - [ 0.0001850000000000, -0.0007717900000000, 0.0000883800000000 ] - [ 0.0019632600000000, -0.0019068700000000, 0.0008769300000000 ] - [ 0.0002548200000000, 0.0000297100000000, -0.0001370600000000 ] - [ 0.0000109800000000, -0.0007763500000000, -0.0000992200000000 ] - [ 0.0002161700000000, -0.0001567300000000, 0.0002425400000000 ] - [ 0.0000244600000000, -0.0007484400000000, -0.0000039900000000 ] - [ -0.0010961000000000, -0.0061548300000000, -0.0040638500000000 ] - [ -0.0002991800000000, -0.0002570500000000, 0.0003432400000000 ] - [ -0.0001476900000000, -0.0000558100000000, -0.0001172800000000 ] - [ -0.0006205500000000, -0.0002814500000000, -0.0005983100000000 ] - [ -0.0314458700000000, -0.0409830100000000, 0.0316751700000000 ] - [ 0.0000367600000000, -0.0004193300000000, -0.0000777200000000 ] - [ -0.0000618200000000, 0.0002730600000000, -0.0001124500000000 ] - [ -0.0015292800000000, 0.0002832700000000, 0.0017654300000000 ] - [ 0.0009588000000000, 0.0000676400000000, -0.0012213900000000 ] - [ -0.0002309300000000, -0.0004668300000000, 0.0003007700000000 ] - [ 0.0001614100000000, 0.0007815000000000, -0.0000176600000000 ] - [ 0.0000769600000000, 0.0019094300000000, 0.0000679500000000 ] - [ 0.0210353100000000, -0.0301711400000000, 0.0270567000000000 ] - [ 0.0001857500000000, 0.0005200300000000, -0.0000732000000000 ] - [ 0.0002900100000000, 0.0008046000000000, 0.0000915500000000 ] - [ 0.0002403900000000, 0.0009040200000000, -0.0009737400000000 ] - [ 0.0018205300000000, 0.0015273400000000, 0.0018271400000000 ] - [ 0.0007953600000000, -0.0001823800000000, -0.0000593600000000 ] - [ -0.0000098600000000, -0.0003933700000000, 0.0010219800000000 ] - [ -0.0001992300000000, 0.0009476800000000, -0.0004801300000000 ] - [ 0.0019040100000000, 0.0004574100000000, 0.0017202500000000 ] - [ -0.0001944700000000, -0.0005136000000000, -0.0001988400000000 ] - [ -0.0005993800000000, -0.0005964700000000, 0.0002550900000000 ] - [ 0.0001654000000000, -0.0009750700000000, 0.0003876400000000 ] - [ 0.0002729900000000, -0.0005439400000000, 0.0000052000000000 ] - [ -0.0269011500000000, -0.0394718800000000, -0.0268645000000000 ] - [ -0.0002559900000000, -0.0008059500000000, -0.0001741900000000 ] - [ -0.0004549900000000, 0.0000584700000000, -0.0005004900000000 ] - [ 0.0004258400000000, 0.0008819400000000, 0.0002803500000000 ] - [ 0.0002112100000000, 0.0006125900000000, -0.0002357500000000 ] - [ -0.0001553200000000, -0.0004730300000000, -0.0000884400000000 ] - [ 0.0000524300000000, 0.0011416400000000, 0.0000217200000000 ] - [ 0.0208356200000000, -0.0240234200000000, -0.0159319400000000 ] - [ -0.0002557500000000, 0.0006939500000000, -0.0000859500000000 ] - [ -0.0002497700000000, 0.0012874900000000, -0.0002872300000000 ] - [ -0.0018194800000000, 0.0002470800000000, 0.0006476600000000 ] - [ 0.0000359400000000, 0.0003102700000000, -0.0001467000000000 ] - [ 0.0000721000000000, 0.0003851800000000, -0.0001466800000000 ] - [ 0.0015532900000000, 0.0006043900000000, -0.0002458800000000 ] - [ -0.0001901600000000, -0.0000044300000000, 0.0005187600000000 ] - [ 0.0002476700000000, 0.0004144000000000, -0.0004364100000000 ] - [ -0.0008943600000000, 0.0008869100000000, 0.0007068200000000 ] - [ 0.0003642500000000, -0.0001024600000000, -0.0001802500000000 ] - [ 0.0002163300000000, -0.0004431600000000, 0.0000758500000000 ] - [ -0.0000401300000000, 0.0003295400000000, 0.0002875800000000 ] - [ 0.0000508700000000, -0.0008297900000000, 0.0001635100000000 ] - [ -0.0002463000000000, -0.0003702200000000, 0.0000733900000000 ] - [ 0.0003616100000000, -0.0000316400000000, -0.0001574300000000 ] - [ 0.0002856200000000, 0.0005583800000000, 0.0002508200000000 ] - [ 0.0000658500000000, 0.0003072300000000, 0.0003989200000000 ] - [ -0.0006472900000000, 0.0007976000000000, 0.0001513800000000 ] - [ -0.0001527400000000, -0.0002204300000000, -0.0004976500000000 ] - [ 0.0005269800000000, 0.0003186000000000, 0.0000736800000000 ] - [ 0.0001504300000000, 0.0004021800000000, -0.0003430900000000 ] - [ -0.0002746700000000, 0.0005385300000000, 0.0001920400000000 ] - [ 0.0000638700000000, 0.0005598400000000, 0.0004447800000000 ] - [ 0.0002371600000000, 0.0004611400000000, 0.0002530700000000 ] - [ 0.0002008200000000, 0.0003880900000000, -0.0001534100000000 ] - [ -0.0001119500000000, 0.0003836800000000, -0.0001506400000000 ] - [ -0.0008172200000000, 0.0007560200000000, -0.0007980400000000 ] - [ 0.0004993300000000, -0.0001387900000000, 0.0005398400000000 ] - [ 0.0006335900000000, 0.0006657300000000, -0.0018064100000000 ] - [ -0.0003942800000000, 0.0011804300000000, -0.0001912500000000 ] - [ 0.0003587400000000, -0.0004362100000000, -0.0000524900000000 ] - [ -0.0000817400000000, 0.0002633200000000, 0.0000456000000000 ] - [ -0.0001344000000000, -0.0003660600000000, 0.0000709500000000 ] - [ -0.0001577300000000, -0.0001072100000000, -0.0004590000000000 ] - [ -0.0003462700000000, 0.0007090000000000, 0.0005334000000000 ] - [ 0.0189122300000000, 0.1431792000000000, -0.0182254500000000 ] - [ -0.0006239000000000, -0.0016118500000000, 0.0006125300000000 ] - [ 0.0018721600000000, -0.0008009600000000, -0.0013467100000000 ] - [ -0.0018637000000000, -0.0017259100000000, 0.0001595700000000 ] - [ 0.0005570100000000, 0.0011191300000000, 0.0003893900000000 ] - [ -0.0004626000000000, -0.0010070800000000, 0.0002163100000000 ] - [ -0.0001215200000000, -0.0002380100000000, -0.0002591500000000 ] - [ 0.0003018500000000, 0.0009069900000000, 0.0000821800000000 ] - [ -0.0004214300000000, -0.0003761400000000, -0.0000892100000000 ] - [ -0.0006245500000000, -0.0016272000000000, 0.0005470300000000 ] - [ 0.0009813900000000, -0.0002151200000000, -0.0015074300000000 ] - [ -0.0009743400000000, -0.0018898300000000, -0.0006862400000000 ] - [ 0.0005383100000000, -0.0006393800000000, 0.0000642100000000 ] - [ -0.0000923000000000, 0.0003789700000000, -0.0001443700000000 ] - [ -0.0001217100000000, -0.0006930100000000, 0.0005142500000000 ] - [ 0.0007101000000000, -0.0021254900000000, 0.0001378900000000 ]- atom: 101 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0028140600000000, -0.0027895200000000, -0.0023639800000000 ] - [ 0.0024818100000000, -0.0008788600000000, 0.0030300500000000 ] - [ 0.0000715200000000, 0.0004839500000000, -0.0004253600000000 ] - [ 0.0000447600000000, -0.0002888000000000, 0.0001186400000000 ] - [ 0.0000150300000000, -0.0004230600000000, 0.0003025200000000 ] - [ 0.0004024800000000, -0.0001203300000000, -0.0000306200000000 ] - [ 0.0000180400000000, 0.0005534000000000, 0.0004816100000000 ] - [ -0.0005589300000000, -0.0001416600000000, 0.0000980600000000 ] - [ -0.0033006900000000, -0.0009556400000000, -0.0043747100000000 ] - [ -0.0020863600000000, -0.0014264500000000, -0.0046219200000000 ] - [ -0.0014934900000000, -0.0002682600000000, 0.0089143900000000 ] - [ 0.0001297200000000, 0.0000555000000000, 0.0009455400000000 ] - [ -0.0001967600000000, 0.0002293900000000, -0.0000113400000000 ] - [ -0.0001331000000000, 0.0001401900000000, -0.0001073700000000 ] - [ 0.0019380600000000, 0.0005361500000000, 0.0023835100000000 ] - [ -0.0000985800000000, -0.0001584600000000, 0.0007638800000000 ] - [ 0.0005565400000000, -0.0001114600000000, -0.0008888500000000 ] - [ -0.0039232900000000, 0.0020471300000000, 0.0035247700000000 ] - [ 0.0021166500000000, -0.0035748700000000, 0.0029357800000000 ] - [ 0.0001911500000000, -0.0029373300000000, -0.0040856700000000 ] - [ -0.0000057100000000, 0.0000172800000000, 0.0007238900000000 ] - [ 0.0000927300000000, 0.0003036500000000, 0.0006473000000000 ] - [ 0.0001718300000000, -0.0001076200000000, 0.0000930600000000 ] - [ 0.0002125300000000, -0.0003013300000000, -0.0008822300000000 ] - [ -0.0003260400000000, 0.0002234400000000, 0.0001670300000000 ] - [ -0.0006736500000000, 0.0018613700000000, 0.0015589200000000 ] - [ 0.0001463500000000, 0.0001952100000000, 0.0001238200000000 ] - [ -0.0020050500000000, 0.0014066500000000, -0.0019964400000000 ] - [ -0.0000226600000000, -0.0001288800000000, 0.0008947300000000 ] - [ -0.0002694400000000, 0.0002933100000000, 0.0001653400000000 ] - [ 0.0004168200000000, -0.0002088700000000, 0.0004124400000000 ] - [ 0.0001387400000000, -0.0001872600000000, 0.0006097300000000 ] - [ 0.0020960600000000, 0.0047450100000000, 0.0022273000000000 ] - [ -0.0003205100000000, -0.0002411300000000, 0.0004415600000000 ] - [ 0.0000097400000000, -0.0000081900000000, 0.0002801000000000 ] - [ -0.0005017800000000, -0.0001908700000000, -0.0006587000000000 ] - [ -0.0296585000000000, -0.0317276000000000, 0.0370667100000000 ] - [ 0.0001486100000000, 0.0000238800000000, 0.0003040200000000 ] - [ -0.0000367700000000, 0.0000318000000000, -0.0003341100000000 ] - [ 0.0003858000000000, -0.0005870100000000, 0.0008026700000000 ] - [ 0.0010671700000000, 0.0009577200000000, -0.0002551300000000 ] - [ 0.0002973000000000, -0.0002571000000000, -0.0003042700000000 ] - [ 0.0005031600000000, 0.0016071600000000, -0.0003689500000000 ] - [ -0.0002964200000000, -0.0004444900000000, 0.0006300000000000 ] - [ 0.0280523800000000, -0.0271695100000000, 0.0427893600000000 ] - [ 0.0001653300000000, 0.0002007400000000, -0.0004116200000000 ] - [ 0.0001634000000000, 0.0005516000000000, 0.0004781600000000 ] - [ 0.0001307900000000, 0.0006327900000000, -0.0006886400000000 ] - [ -0.0002411100000000, -0.0001319100000000, -0.0004747700000000 ] - [ -0.0006713000000000, -0.0000441300000000, 0.0004256000000000 ] - [ 0.0003319000000000, -0.0002415100000000, -0.0007077600000000 ] - [ 0.0003641900000000, 0.0008072200000000, 0.0000033300000000 ] - [ -0.0021461500000000, -0.0017518300000000, -0.0007997800000000 ] - [ 0.0000290300000000, -0.0002024500000000, -0.0015024900000000 ] - [ -0.0000172300000000, -0.0002617200000000, -0.0010222700000000 ] - [ -0.0001031400000000, -0.0006097700000000, 0.0008403600000000 ] - [ 0.0000233100000000, -0.0002092300000000, -0.0011131800000000 ] - [ 0.0215492300000000, 0.0251839000000000, 0.0281589200000000 ] - [ -0.0009817600000000, 0.0009224200000000, -0.0001398600000000 ] - [ -0.0004174900000000, 0.0000207400000000, -0.0007350700000000 ] - [ -0.0008464000000000, -0.0014876400000000, -0.0001426700000000 ] - [ 0.0004004700000000, 0.0005392700000000, -0.0001005200000000 ] - [ -0.0001815700000000, 0.0000877400000000, -0.0006654000000000 ] - [ 0.0000621600000000, -0.0000225400000000, 0.0006485600000000 ] - [ -0.0215756800000000, 0.0165022700000000, 0.0245085800000000 ] - [ -0.0002285200000000, 0.0003816200000000, -0.0004175400000000 ] - [ -0.0001329900000000, 0.0000672100000000, 0.0006619300000000 ] - [ 0.0011303700000000, -0.0000223800000000, -0.0009498800000000 ] - [ -0.0000662300000000, 0.0000152100000000, -0.0005142500000000 ] - [ -0.0001030300000000, -0.0000108700000000, -0.0007517700000000 ] - [ 0.0014338500000000, 0.0005685800000000, -0.0001799900000000 ] - [ 0.0003928800000000, -0.0003304600000000, -0.0001548600000000 ] - [ 0.0002163500000000, 0.0002256900000000, -0.0006187200000000 ] - [ 0.0008939000000000, -0.0011236600000000, -0.0012015900000000 ] - [ 0.0000287900000000, 0.0000251000000000, -0.0000863200000000 ] - [ 0.0000469700000000, 0.0002154900000000, -0.0003855800000000 ] - [ -0.0000280200000000, -0.0000185800000000, -0.0001196100000000 ] - [ 0.0000622600000000, -0.0003579900000000, 0.0005127100000000 ] - [ 0.0001608400000000, 0.0000395400000000, -0.0010659800000000 ] - [ -0.0002767700000000, 0.0005724700000000, 0.0003252200000000 ] - [ -0.0002634500000000, -0.0000177500000000, 0.0006378400000000 ] - [ 0.0000502300000000, -0.0006321500000000, -0.0004970500000000 ] - [ 0.0002853300000000, -0.0001983400000000, 0.0004281600000000 ] - [ -0.0001284400000000, 0.0000569900000000, -0.0005011800000000 ] - [ -0.0002999500000000, -0.0002494300000000, -0.0002258300000000 ] - [ -0.0001129400000000, 0.0000580600000000, 0.0002126500000000 ] - [ 0.0002282400000000, -0.0001597200000000, 0.0003319100000000 ] - [ 0.0000301300000000, -0.0002495900000000, -0.0002821000000000 ] - [ 0.0001368100000000, 0.0001073400000000, 0.0006916600000000 ] - [ 0.0001931200000000, 0.0000042600000000, -0.0004956200000000 ] - [ -0.0000017000000000, 0.0004004400000000, -0.0002783300000000 ] - [ -0.0021637600000000, 0.0017158800000000, -0.0017874700000000 ] - [ -0.0006858500000000, -0.0001802800000000, -0.0004041100000000 ] - [ 0.0002206700000000, 0.0003710200000000, -0.0009418800000000 ] - [ -0.0002923400000000, -0.0001143100000000, 0.0004522200000000 ] - [ 0.0003025300000000, -0.0000398500000000, -0.0004549200000000 ] - [ -0.0001604700000000, -0.0001939500000000, -0.0003462700000000 ] - [ -0.0004118700000000, -0.0001821600000000, 0.0006385600000000 ] - [ -0.0002444900000000, 0.0000864800000000, -0.0007947100000000 ] - [ 0.0001278200000000, 0.0001959500000000, -0.0001326800000000 ] - [ 0.0036001600000000, 0.0187446500000000, -0.1399458600000000 ] - [ -0.0004765600000000, -0.0010744200000000, 0.0010834800000000 ] - [ 0.0002301200000000, 0.0005331400000000, 0.0009185500000000 ] - [ 0.0012740100000000, 0.0002601900000000, 0.0009276500000000 ] - [ 0.0007517100000000, 0.0004597500000000, -0.0003967200000000 ] - [ -0.0005818000000000, -0.0002826900000000, -0.0009418700000000 ] - [ 0.0004429600000000, -0.0001974600000000, 0.0011599500000000 ] - [ 0.0004704700000000, 0.0000107800000000, 0.0006652300000000 ] - [ -0.0004220500000000, 0.0001583200000000, 0.0004038500000000 ] - [ -0.0005427900000000, -0.0010468000000000, 0.0010833700000000 ] - [ -0.0006159900000000, 0.0004372600000000, 0.0012291800000000 ] - [ 0.0014369900000000, 0.0014680500000000, 0.0012390300000000 ] - [ 0.0003005800000000, 0.0001352200000000, 0.0008899500000000 ] - [ -0.0006237900000000, 0.0000718300000000, 0.0019445400000000 ] - [ -0.0003275900000000, -0.0013373300000000, 0.0011620100000000 ] - [ 0.0000940400000000, 0.0000700800000000, -0.0010134900000000 ]- atom: 101 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0028111600000000, 0.0020474400000000, 0.0023594700000000 ] - [ -0.0017515400000000, 0.0008721000000000, -0.0030398100000000 ] - [ -0.0000712000000000, 0.0002513700000000, 0.0004231500000000 ] - [ -0.0007792100000000, 0.0002879900000000, -0.0001193100000000 ] - [ -0.0000151200000000, -0.0003136600000000, -0.0003039000000000 ] - [ 0.0003333400000000, 0.0001207200000000, 0.0000288300000000 ] - [ -0.0000177400000000, 0.0001831100000000, -0.0004816900000000 ] - [ -0.0001757800000000, 0.0001430200000000, -0.0000999900000000 ] - [ 0.0033054800000000, 0.0009814100000000, 0.0045998100000000 ] - [ 0.0020793000000000, 0.0019093500000000, 0.0046136700000000 ] - [ 0.0019681600000000, 0.0002618000000000, -0.0088169700000000 ] - [ -0.0001314600000000, 0.0001440000000000, -0.0009489800000000 ] - [ -0.0002923700000000, -0.0002296800000000, 0.0000100000000000 ] - [ 0.0001361000000000, -0.0001407000000000, -0.0001265600000000 ] - [ -0.0017416600000000, -0.0005461900000000, -0.0023861300000000 ] - [ 0.0000987000000000, -0.0003302500000000, -0.0007678200000000 ] - [ -0.0005554200000000, 0.0001113600000000, 0.0006555900000000 ] - [ 0.0037449100000000, -0.0020359100000000, -0.0035356400000000 ] - [ -0.0021066700000000, 0.0035867100000000, -0.0027060100000000 ] - [ -0.0001669000000000, 0.0027446600000000, 0.0040819700000000 ] - [ 0.0000064100000000, -0.0000170800000000, -0.0004931600000000 ] - [ -0.0000935100000000, 0.0001841600000000, -0.0006492200000000 ] - [ 0.0003167400000000, 0.0001069000000000, -0.0000949500000000 ] - [ -0.0002133200000000, 0.0004998700000000, 0.0008809700000000 ] - [ -0.0001635500000000, -0.0002240900000000, -0.0001696300000000 ] - [ 0.0006639500000000, -0.0018643300000000, -0.0017909100000000 ] - [ 0.0000540300000000, -0.0001951000000000, -0.0001243800000000 ] - [ 0.0020071400000000, -0.0018957400000000, 0.0020048300000000 ] - [ 0.0000226100000000, 0.0001304800000000, -0.0011291600000000 ] - [ 0.0000715700000000, -0.0002959700000000, -0.0001674700000000 ] - [ -0.0004172200000000, 0.0002093900000000, -0.0001811800000000 ] - [ -0.0001383300000000, -0.0000116800000000, -0.0006107600000000 ] - [ -0.0021128500000000, -0.0047411500000000, -0.0022307700000000 ] - [ 0.0003248200000000, 0.0002411800000000, -0.0004442300000000 ] - [ -0.0000091600000000, 0.0000080800000000, -0.0002814700000000 ] - [ 0.0005009700000000, 0.0001894400000000, 0.0006563300000000 ] - [ 0.0303796000000000, 0.0324904200000000, -0.0378091200000000 ] - [ -0.0001683200000000, -0.0000623100000000, -0.0007559500000000 ] - [ -0.0001060700000000, -0.0001775100000000, 0.0003367500000000 ] - [ -0.0003358000000000, 0.0002249700000000, -0.0003821000000000 ] - [ -0.0011792300000000, -0.0010627600000000, -0.0000938200000000 ] - [ -0.0004412900000000, 0.0004045000000000, 0.0002994200000000 ] - [ -0.0005413900000000, -0.0015844800000000, 0.0008168600000000 ] - [ 0.0004449300000000, 0.0005885400000000, -0.0006264900000000 ] - [ -0.0270646400000000, 0.0261628800000000, -0.0415207400000000 ] - [ -0.0000182800000000, -0.0003450800000000, 0.0004068600000000 ] - [ -0.0003103400000000, -0.0004083500000000, -0.0004836100000000 ] - [ 0.0000110900000000, -0.0004916700000000, 0.0007041400000000 ] - [ 0.0002790700000000, 0.0001530900000000, 0.0000178500000000 ] - [ 0.0007932200000000, -0.0000692400000000, -0.0000906300000000 ] - [ -0.0004527000000000, 0.0003518500000000, 0.0010460800000000 ] - [ -0.0002415200000000, -0.0006947200000000, -0.0003424200000000 ] - [ 0.0022815700000000, 0.0015920500000000, 0.0007874300000000 ] - [ -0.0000139100000000, 0.0002402000000000, 0.0010516500000000 ] - [ -0.0000973600000000, 0.0003874600000000, 0.0013612700000000 ] - [ 0.0002159200000000, 0.0004869800000000, -0.0005063100000000 ] - [ 0.0003591900000000, 0.0001460900000000, 0.0015194600000000 ] - [ -0.0217479700000000, -0.0257904200000000, -0.0288033000000000 ] - [ 0.0010295700000000, -0.0009484300000000, 0.0005986000000000 ] - [ 0.0003554100000000, -0.0004048700000000, 0.0003314800000000 ] - [ 0.0007799700000000, 0.0018636700000000, 0.0005431900000000 ] - [ -0.0003357100000000, -0.0001549000000000, -0.0003043200000000 ] - [ -0.0002015300000000, -0.0001510700000000, 0.0002629800000000 ] - [ -0.0000796800000000, 0.0000614200000000, -0.0002016600000000 ] - [ 0.0208742200000000, -0.0161639900000000, -0.0242931500000000 ] - [ -0.0001543100000000, -0.0003191600000000, 0.0008191500000000 ] - [ 0.0002474600000000, 0.0000552500000000, -0.0010011400000000 ] - [ -0.0011772700000000, 0.0000055100000000, 0.0005038300000000 ] - [ -0.0000479700000000, -0.0001383300000000, 0.0001769500000000 ] - [ 0.0000852200000000, -0.0000270600000000, 0.0003018900000000 ] - [ -0.0015748100000000, -0.0007153700000000, 0.0001844200000000 ] - [ -0.0003309400000000, -0.0000520000000000, 0.0005576500000000 ] - [ -0.0003392200000000, -0.0003395500000000, 0.0002805700000000 ] - [ -0.0010422900000000, 0.0012821900000000, 0.0012025900000000 ] - [ -0.0000656200000000, -0.0000069300000000, 0.0005342500000000 ] - [ 0.0001000000000000, -0.0000722500000000, 0.0003886700000000 ] - [ 0.0000459500000000, -0.0000192200000000, 0.0005671800000000 ] - [ 0.0000850600000000, 0.0002140900000000, -0.0005180400000000 ] - [ -0.0003077300000000, 0.0001061800000000, 0.0010597900000000 ] - [ 0.0004215600000000, -0.0004267900000000, -0.0003219800000000 ] - [ 0.0002995100000000, 0.0000336300000000, -0.0010893800000000 ] - [ 0.0000726700000000, 0.0005165700000000, 0.0008314200000000 ] - [ -0.0004103300000000, 0.0003139100000000, -0.0000922200000000 ] - [ 0.0002533400000000, 0.0000560500000000, 0.0001635800000000 ] - [ 0.0004433900000000, 0.0001034600000000, 0.0002192300000000 ] - [ 0.0001303800000000, -0.0000204200000000, -0.0006628300000000 ] - [ -0.0003426400000000, 0.0002829200000000, 0.0000029100000000 ] - [ 0.0000833000000000, 0.0001269500000000, 0.0006173700000000 ] - [ 0.0002458200000000, -0.0001706300000000, -0.0002897700000000 ] - [ 0.0001895200000000, 0.0000587900000000, 0.0000915300000000 ] - [ 0.0000404000000000, -0.0004189200000000, 0.0007263800000000 ] - [ 0.0021036500000000, -0.0020977600000000, 0.0013802100000000 ] - [ 0.0006214700000000, 0.0005632300000000, 0.0008048900000000 ] - [ -0.0001590800000000, 0.0000094800000000, 0.0005326200000000 ] - [ -0.0000905800000000, 0.0000521100000000, -0.0008557600000000 ] - [ -0.0003213300000000, 0.0000780100000000, 0.0009030100000000 ] - [ 0.0000139400000000, 0.0000507300000000, 0.0003493000000000 ] - [ 0.0000283800000000, 0.0002448100000000, -0.0002378500000000 ] - [ 0.0003582600000000, 0.0000358200000000, 0.0004571500000000 ] - [ -0.0001658500000000, -0.0002124600000000, -0.0003162600000000 ] - [ -0.0050159900000000, -0.0180980100000000, 0.1393500500000000 ] - [ 0.0008811900000000, 0.0003241900000000, -0.0013455100000000 ] - [ 0.0001882500000000, 0.0002065100000000, -0.0006600000000000 ] - [ -0.0016785400000000, -0.0010028900000000, -0.0006512900000000 ] - [ -0.0000043000000000, -0.0000498700000000, 0.0006659300000000 ] - [ -0.0001661400000000, -0.0001223600000000, 0.0012052900000000 ] - [ -0.0008570800000000, 0.0009484600000000, -0.0014379200000000 ] - [ 0.0002743000000000, -0.0004196700000000, -0.0009364300000000 ] - [ -0.0003261900000000, 0.0002451700000000, -0.0006694300000000 ] - [ 0.0009476500000000, 0.0002971500000000, -0.0013459500000000 ] - [ 0.0010303100000000, 0.0003050200000000, -0.0009729200000000 ] - [ -0.0018384200000000, -0.0022051500000000, -0.0009630500000000 ] - [ 0.0004446700000000, 0.0002735800000000, -0.0006231900000000 ] - [ -0.0001190000000000, -0.0004844300000000, -0.0016810100000000 ] - [ -0.0000893100000000, 0.0020897200000000, -0.0014358200000000 ] - [ 0.0006512300000000, -0.0004776200000000, 0.0007450500000000 ]