# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/5c5c5b66-a0a1-4b26-831c-f61223b10d35/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 NaLi2AsO4 / Pmn2_1 (31) / materials id 9066](https://mdr.nims.go.jp/datasets/140af6aa-382e-4050-bdcc-2e925cd2c09a) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Pmn2_1" number: 31 Hall_symbol: "P 2ac -2"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 7.001979170000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.184558050000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.036119740000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.250583070000000, 0.320265330000000, 0.508532840000000 ] mass: 6.941000 - symbol: Li # 2 coordinates: [ 0.750583070000000, 0.679734670000000, 0.008532840000000 ] mass: 6.941000 - symbol: Li # 3 coordinates: [ 0.749416930000000, 0.320265330000000, 0.508532840000000 ] mass: 6.941000 - symbol: Li # 4 coordinates: [ 0.249416930000000, 0.679734670000000, 0.008532840000000 ] mass: 6.941000 - symbol: O # 5 coordinates: [ 0.000000000000000, 0.866580080000000, 0.061947890000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.000000000000000, 0.231716970000000, 0.662942510000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.500000000000000, 0.133419920000000, 0.561947890000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.500000000000000, 0.768283030000000, 0.162942510000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.198277180000000, 0.328694820000000, 0.128605410000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.301722820000000, 0.671305180000000, 0.628605410000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.698277180000000, 0.671305180000000, 0.628605410000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.801722820000000, 0.328694820000000, 0.128605410000000 ] mass: 15.999400 - symbol: Na # 13 coordinates: [ 0.000000000000000, 0.787039550000000, 0.522084290000000 ] mass: 22.989769 - symbol: Na # 14 coordinates: [ 0.500000000000000, 0.212960450000000, 0.022084290000000 ] mass: 22.989769 - symbol: As # 15 coordinates: [ 0.500000000000000, 0.809899710000000, 0.498848820000000 ] mass: 74.921600 - symbol: As # 16 coordinates: [ 0.000000000000000, 0.190100290000000, 0.998848820000000 ] mass: 74.921600 reciprocal_lattice: # without 2pi - [ 0.142816763049582, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.192880471267942, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.198565572628740 ] # c*unit_cell: lattice: - [ 7.001979170000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 5.184558050000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.036119740000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.250583070000000, 0.320265330000000, 0.508532840000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.750583070000000, 0.679734670000000, 0.008532840000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.749416930000000, 0.320265330000000, 0.508532840000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.249416930000000, 0.679734670000000, 0.008532840000000 ] mass: 6.941000 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.000000000000000, 0.866580080000000, 0.061947890000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.000000000000000, 0.231716970000000, 0.662942510000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.500000000000000, 0.133419920000000, 0.561947890000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.500000000000000, 0.768283030000000, 0.162942510000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.198277180000000, 0.328694820000000, 0.128605410000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.301722820000000, 0.671305180000000, 0.628605410000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.698277180000000, 0.671305180000000, 0.628605410000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.801722820000000, 0.328694820000000, 0.128605410000000 ] mass: 15.999400 reduced_to: 12 - symbol: Na # 13 coordinates: [ 0.000000000000000, 0.787039550000000, 0.522084290000000 ] mass: 22.989769 reduced_to: 13 - symbol: Na # 14 coordinates: [ 0.500000000000000, 0.212960450000000, 0.022084290000000 ] mass: 22.989769 reduced_to: 14 - symbol: As # 15 coordinates: [ 0.500000000000000, 0.809899710000000, 0.498848820000000 ] mass: 74.921600 reduced_to: 15 - symbol: As # 16 coordinates: [ 0.000000000000000, 0.190100290000000, 0.998848820000000 ] mass: 74.921600 reduced_to: 16supercell: lattice: - [ 14.003958340000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.369116099999999, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.072239480000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.125291535000000, 0.160132665000000, 0.254266420000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.625291535000000, 0.160132665000000, 0.254266420000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 3 coordinates: [ 0.125291535000000, 0.660132665000000, 0.254266420000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 4 coordinates: [ 0.625291535000000, 0.660132665000000, 0.254266420000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 5 coordinates: [ 0.125291535000000, 0.160132665000000, 0.754266420000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 6 coordinates: [ 0.625291535000000, 0.160132665000000, 0.754266420000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 7 coordinates: [ 0.125291535000000, 0.660132665000000, 0.754266420000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 8 coordinates: [ 0.625291535000000, 0.660132665000000, 0.754266420000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 9 coordinates: [ 0.375291535000000, 0.339867335000000, 0.004266420000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 10 coordinates: [ 0.875291535000000, 0.339867335000000, 0.004266420000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 11 coordinates: [ 0.375291535000000, 0.839867335000000, 0.004266420000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 12 coordinates: [ 0.875291535000000, 0.839867335000000, 0.004266420000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 13 coordinates: [ 0.375291535000000, 0.339867335000000, 0.504266420000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 14 coordinates: [ 0.875291535000000, 0.339867335000000, 0.504266420000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 15 coordinates: [ 0.375291535000000, 0.839867335000000, 0.504266420000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 16 coordinates: [ 0.875291535000000, 0.839867335000000, 0.504266420000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 17 coordinates: [ 0.374708465000000, 0.160132665000000, 0.254266420000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 18 coordinates: [ 0.874708465000000, 0.160132665000000, 0.254266420000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 19 coordinates: [ 0.374708465000000, 0.660132665000000, 0.254266420000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 20 coordinates: [ 0.874708465000000, 0.660132665000000, 0.254266420000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 21 coordinates: [ 0.374708465000000, 0.160132665000000, 0.754266420000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 22 coordinates: [ 0.874708465000000, 0.160132665000000, 0.754266420000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 23 coordinates: [ 0.374708465000000, 0.660132665000000, 0.754266420000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 24 coordinates: [ 0.874708465000000, 0.660132665000000, 0.754266420000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 25 coordinates: [ 0.124708465000000, 0.339867335000000, 0.004266420000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 26 coordinates: [ 0.624708465000000, 0.339867335000000, 0.004266420000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 27 coordinates: [ 0.124708465000000, 0.839867335000000, 0.004266420000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 28 coordinates: [ 0.624708465000000, 0.839867335000000, 0.004266420000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 29 coordinates: [ 0.124708465000000, 0.339867335000000, 0.504266420000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 30 coordinates: [ 0.624708465000000, 0.339867335000000, 0.504266420000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 31 coordinates: [ 0.124708465000000, 0.839867335000000, 0.504266420000000 ] mass: 6.941000 reduced_to: 25 - symbol: Li # 32 coordinates: [ 0.624708465000000, 0.839867335000000, 0.504266420000000 ] mass: 6.941000 reduced_to: 25 - symbol: O # 33 coordinates: [ 0.000000000000000, 0.433290040000000, 0.030973945000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.500000000000000, 0.433290040000000, 0.030973945000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.000000000000000, 0.933290040000000, 0.030973945000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 36 coordinates: [ 0.500000000000000, 0.933290040000000, 0.030973945000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 37 coordinates: [ 0.000000000000000, 0.433290040000000, 0.530973945000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 38 coordinates: [ 0.500000000000000, 0.433290040000000, 0.530973945000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 39 coordinates: [ 0.000000000000000, 0.933290040000000, 0.530973945000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 40 coordinates: [ 0.500000000000000, 0.933290040000000, 0.530973945000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 41 coordinates: [ 0.000000000000000, 0.115858485000000, 0.331471255000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.500000000000000, 0.115858485000000, 0.331471255000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.000000000000000, 0.615858485000000, 0.331471255000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 44 coordinates: [ 0.500000000000000, 0.615858485000000, 0.331471255000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 45 coordinates: [ 0.000000000000000, 0.115858485000000, 0.831471255000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 46 coordinates: [ 0.500000000000000, 0.115858485000000, 0.831471255000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 47 coordinates: [ 0.000000000000000, 0.615858485000000, 0.831471255000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 48 coordinates: [ 0.500000000000000, 0.615858485000000, 0.831471255000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 49 coordinates: [ 0.250000000000000, 0.066709960000000, 0.280973945000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.750000000000000, 0.066709960000000, 0.280973945000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.250000000000000, 0.566709960000000, 0.280973945000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.750000000000000, 0.566709960000000, 0.280973945000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.250000000000000, 0.066709960000000, 0.780973945000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 54 coordinates: [ 0.750000000000000, 0.066709960000000, 0.780973945000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 55 coordinates: [ 0.250000000000000, 0.566709960000000, 0.780973945000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 56 coordinates: [ 0.750000000000000, 0.566709960000000, 0.780973945000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 57 coordinates: [ 0.250000000000000, 0.384141515000000, 0.081471255000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.750000000000000, 0.384141515000000, 0.081471255000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.250000000000000, 0.884141515000000, 0.081471255000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.750000000000000, 0.884141515000000, 0.081471255000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.250000000000000, 0.384141515000000, 0.581471255000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 62 coordinates: [ 0.750000000000000, 0.384141515000000, 0.581471255000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 63 coordinates: [ 0.250000000000000, 0.884141515000000, 0.581471255000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 64 coordinates: [ 0.750000000000000, 0.884141515000000, 0.581471255000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 65 coordinates: [ 0.099138590000000, 0.164347410000000, 0.064302705000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.599138590000000, 0.164347410000000, 0.064302705000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.099138590000000, 0.664347410000000, 0.064302705000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.599138590000000, 0.664347410000000, 0.064302705000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.099138590000000, 0.164347410000000, 0.564302705000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 70 coordinates: [ 0.599138590000000, 0.164347410000000, 0.564302705000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 71 coordinates: [ 0.099138590000000, 0.664347410000000, 0.564302705000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 72 coordinates: [ 0.599138590000000, 0.664347410000000, 0.564302705000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 73 coordinates: [ 0.150861410000000, 0.335652590000000, 0.314302705000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.650861410000000, 0.335652590000000, 0.314302705000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.150861410000000, 0.835652590000000, 0.314302705000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.650861410000000, 0.835652590000000, 0.314302705000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.150861410000000, 0.335652590000000, 0.814302705000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 78 coordinates: [ 0.650861410000000, 0.335652590000000, 0.814302705000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 79 coordinates: [ 0.150861410000000, 0.835652590000000, 0.814302705000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 80 coordinates: [ 0.650861410000000, 0.835652590000000, 0.814302705000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 81 coordinates: [ 0.349138590000000, 0.335652590000000, 0.314302705000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.849138590000000, 0.335652590000000, 0.314302705000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.349138590000000, 0.835652590000000, 0.314302705000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.849138590000000, 0.835652590000000, 0.314302705000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.349138590000000, 0.335652590000000, 0.814302705000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 86 coordinates: [ 0.849138590000000, 0.335652590000000, 0.814302705000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 87 coordinates: [ 0.349138590000000, 0.835652590000000, 0.814302705000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 88 coordinates: [ 0.849138590000000, 0.835652590000000, 0.814302705000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 89 coordinates: [ 0.400861410000000, 0.164347410000000, 0.064302705000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.900861410000000, 0.164347410000000, 0.064302705000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.400861410000000, 0.664347410000000, 0.064302705000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.900861410000000, 0.664347410000000, 0.064302705000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.400861410000000, 0.164347410000000, 0.564302705000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 94 coordinates: [ 0.900861410000000, 0.164347410000000, 0.564302705000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 95 coordinates: [ 0.400861410000000, 0.664347410000000, 0.564302705000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 96 coordinates: [ 0.900861410000000, 0.664347410000000, 0.564302705000000 ] mass: 15.999400 reduced_to: 89 - symbol: Na # 97 coordinates: [ 0.000000000000000, 0.393519775000000, 0.261042145000000 ] mass: 22.989769 reduced_to: 97 - symbol: Na # 98 coordinates: [ 0.500000000000000, 0.393519775000000, 0.261042145000000 ] mass: 22.989769 reduced_to: 97 - symbol: Na # 99 coordinates: [ 0.000000000000000, 0.893519775000000, 0.261042145000000 ] mass: 22.989769 reduced_to: 97 - symbol: Na # 100 coordinates: [ 0.500000000000000, 0.893519775000000, 0.261042145000000 ] mass: 22.989769 reduced_to: 97 - symbol: Na # 101 coordinates: [ 0.000000000000000, 0.393519775000000, 0.761042145000000 ] mass: 22.989769 reduced_to: 97 - symbol: Na # 102 coordinates: [ 0.500000000000000, 0.393519775000000, 0.761042145000000 ] mass: 22.989769 reduced_to: 97 - symbol: Na # 103 coordinates: [ 0.000000000000000, 0.893519775000000, 0.761042145000000 ] mass: 22.989769 reduced_to: 97 - symbol: Na # 104 coordinates: [ 0.500000000000000, 0.893519775000000, 0.761042145000000 ] mass: 22.989769 reduced_to: 97 - symbol: Na # 105 coordinates: [ 0.250000000000000, 0.106480225000000, 0.011042145000000 ] mass: 22.989769 reduced_to: 105 - symbol: Na # 106 coordinates: [ 0.750000000000000, 0.106480225000000, 0.011042145000000 ] mass: 22.989769 reduced_to: 105 - symbol: Na # 107 coordinates: [ 0.250000000000000, 0.606480225000000, 0.011042145000000 ] mass: 22.989769 reduced_to: 105 - symbol: Na # 108 coordinates: [ 0.750000000000000, 0.606480225000000, 0.011042145000000 ] mass: 22.989769 reduced_to: 105 - symbol: Na # 109 coordinates: [ 0.250000000000000, 0.106480225000000, 0.511042145000000 ] mass: 22.989769 reduced_to: 105 - symbol: Na # 110 coordinates: [ 0.750000000000000, 0.106480225000000, 0.511042145000000 ] mass: 22.989769 reduced_to: 105 - symbol: Na # 111 coordinates: [ 0.250000000000000, 0.606480225000000, 0.511042145000000 ] mass: 22.989769 reduced_to: 105 - symbol: Na # 112 coordinates: [ 0.750000000000000, 0.606480225000000, 0.511042145000000 ] mass: 22.989769 reduced_to: 105 - symbol: As # 113 coordinates: [ 0.250000000000000, 0.404949855000000, 0.249424410000000 ] mass: 74.921600 reduced_to: 113 - symbol: As # 114 coordinates: [ 0.750000000000000, 0.404949855000000, 0.249424410000000 ] mass: 74.921600 reduced_to: 113 - symbol: As # 115 coordinates: [ 0.250000000000000, 0.904949855000000, 0.249424410000000 ] mass: 74.921600 reduced_to: 113 - symbol: As # 116 coordinates: [ 0.750000000000000, 0.904949855000000, 0.249424410000000 ] mass: 74.921600 reduced_to: 113 - symbol: As # 117 coordinates: [ 0.250000000000000, 0.404949855000000, 0.749424410000000 ] mass: 74.921600 reduced_to: 113 - symbol: As # 118 coordinates: [ 0.750000000000000, 0.404949855000000, 0.749424410000000 ] mass: 74.921600 reduced_to: 113 - symbol: As # 119 coordinates: [ 0.250000000000000, 0.904949855000000, 0.749424410000000 ] mass: 74.921600 reduced_to: 113 - symbol: As # 120 coordinates: [ 0.750000000000000, 0.904949855000000, 0.749424410000000 ] mass: 74.921600 reduced_to: 113 - symbol: As # 121 coordinates: [ 0.000000000000000, 0.095050145000000, 0.499424410000000 ] mass: 74.921600 reduced_to: 121 - symbol: As # 122 coordinates: [ 0.500000000000000, 0.095050145000000, 0.499424410000000 ] mass: 74.921600 reduced_to: 121 - symbol: As # 123 coordinates: [ 0.000000000000000, 0.595050145000000, 0.499424410000000 ] mass: 74.921600 reduced_to: 121 - symbol: As # 124 coordinates: [ 0.500000000000000, 0.595050145000000, 0.499424410000000 ] mass: 74.921600 reduced_to: 121 - symbol: As # 125 coordinates: [ 0.000000000000000, 0.095050145000000, 0.999424410000000 ] mass: 74.921600 reduced_to: 121 - symbol: As # 126 coordinates: [ 0.500000000000000, 0.095050145000000, 0.999424410000000 ] mass: 74.921600 reduced_to: 121 - symbol: As # 127 coordinates: [ 0.000000000000000, 0.595050145000000, 0.999424410000000 ] mass: 74.921600 reduced_to: 121 - symbol: As # 128 coordinates: [ 0.500000000000000, 0.595050145000000, 0.999424410000000 ] mass: 74.921600 reduced_to: 121born_effective_charge:- # 1 (Li) - [ 1.010150390000000, 0.081884570000000, 0.106095580000000 ] - [ -0.086337500000000, 1.035534000000000, 0.048731760000000 ] - [ -0.116620240000000, -0.044192730000000, 1.015871470000000 ]- # 2 (Li) - [ 1.010150390000000, -0.081884570000000, 0.106095580000000 ] - [ 0.086337500000000, 1.035534000000000, -0.048731760000000 ] - [ -0.116620240000000, 0.044192730000000, 1.015871470000000 ]- # 3 (Li) - [ 1.010150390000000, -0.081884570000000, -0.106095580000000 ] - [ 0.086337500000000, 1.035534000000000, 0.048731760000000 ] - [ 0.116620240000000, -0.044192730000000, 1.015871470000000 ]- # 4 (Li) - [ 1.010150390000000, 0.081884570000000, -0.106095580000000 ] - [ -0.086337500000000, 1.035534000000000, -0.048731760000000 ] - [ 0.116620240000000, 0.044192730000000, 1.015871470000000 ]- # 5 (O) - [ -1.304925320000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.031422670000000, 0.140570240000000 ] - [ 0.000000000000000, 0.125377370000000, -1.251697650000000 ]- # 6 (O) - [ -1.313815310000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.202822600000000, 0.118396870000000 ] - [ 0.000000000000000, 0.120029970000000, -2.063231420000000 ]- # 7 (O) - [ -1.304925320000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.031422670000000, -0.140570240000000 ] - [ 0.000000000000000, -0.125377370000000, -1.251697650000000 ]- # 8 (O) - [ -1.313815310000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.202822600000000, -0.118396870000000 ] - [ 0.000000000000000, -0.120029970000000, -2.063231420000000 ]- # 9 (O) - [ -1.763237240000000, -0.351283350000000, -0.302506140000000 ] - [ -0.261952570000000, -1.442558520000000, -0.090207320000000 ] - [ -0.306569720000000, -0.105293630000000, -1.467636800000000 ]- # 10 (O) - [ -1.763237240000000, -0.351283350000000, 0.302506140000000 ] - [ -0.261952570000000, -1.442558520000000, 0.090207320000000 ] - [ 0.306569720000000, 0.105293630000000, -1.467636800000000 ]- # 11 (O) - [ -1.763237240000000, 0.351283350000000, -0.302506140000000 ] - [ 0.261952570000000, -1.442558520000000, 0.090207320000000 ] - [ -0.306569720000000, 0.105293630000000, -1.467636800000000 ]- # 12 (O) - [ -1.763237240000000, 0.351283350000000, 0.302506140000000 ] - [ 0.261952570000000, -1.442558520000000, -0.090207320000000 ] - [ 0.306569720000000, -0.105293630000000, -1.467636800000000 ]- # 13 (Na) - [ 1.108930930000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.077009840000000, 0.022027150000000 ] - [ 0.000000000000000, 0.053208900000000, 1.098994710000000 ]- # 14 (Na) - [ 1.108930930000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 1.077009840000000, -0.022027150000000 ] - [ 0.000000000000000, -0.053208900000000, 1.098994710000000 ]- # 15 (As) - [ 3.015983400000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.971284460000000, 0.010470070000000 ] - [ 0.000000000000000, -0.018501100000000, 3.119465020000000 ]- # 16 (As) - [ 3.015983400000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.971284460000000, -0.010470070000000 ] - [ 0.000000000000000, 0.018501100000000, 3.119465020000000 ]dielectric_constant: - [ 2.700079270000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.752987450000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.755791050000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0458621400000000, -0.0016836700000000, 0.0009305000000000 ] - [ 0.0006035900000000, 0.0002487600000000, 0.0000854200000000 ] - [ -0.0008270200000000, -0.0000117400000000, -0.0001496000000000 ] - [ 0.0004016000000000, 0.0002643500000000, 0.0000787500000000 ] - [ -0.0008249400000000, 0.0001180700000000, -0.0001953700000000 ] - [ 0.0004067600000000, 0.0002332400000000, 0.0000872300000000 ] - [ -0.0004480600000000, 0.0002056800000000, -0.0000460500000000 ] - [ 0.0002716700000000, 0.0002679200000000, 0.0000749300000000 ] - [ 0.0003585700000000, -0.0000746600000000, -0.0004320200000000 ] - [ 0.0001670000000000, -0.0007302800000000, 0.0003005900000000 ] - [ 0.0004664600000000, -0.0004256500000000, -0.0004539700000000 ] - [ 0.0002053000000000, 0.0001174200000000, 0.0001271800000000 ] - [ 0.0001663500000000, 0.0000139600000000, 0.0006121500000000 ] - [ 0.0003593500000000, -0.0010917100000000, -0.0002187100000000 ] - [ 0.0002065900000000, -0.0004087700000000, 0.0007963700000000 ] - [ 0.0004695900000000, 0.0003743700000000, -0.0000548500000000 ] - [ 0.0029707600000000, 0.0008239900000000, -0.0000946400000000 ] - [ 0.0029071700000000, -0.0000875800000000, 0.0005697700000000 ] - [ 0.0004332400000000, -0.0002124600000000, -0.0001315300000000 ] - [ -0.0000073200000000, 0.0003357600000000, 0.0000603700000000 ] - [ -0.0000057000000000, 0.0002198900000000, 0.0000781400000000 ] - [ 0.0004302800000000, 0.0001430000000000, -0.0004125700000000 ] - [ 0.0000755400000000, 0.0001536100000000, 0.0000481100000000 ] - [ 0.0000895500000000, 0.0003032800000000, -0.0000056400000000 ] - [ -0.0014694300000000, -0.0009057000000000, -0.0001641700000000 ] - [ 0.0005287600000000, -0.0001373100000000, -0.0000033900000000 ] - [ -0.0012343100000000, -0.0000267500000000, -0.0002712400000000 ] - [ 0.0005477000000000, -0.0002000100000000, -0.0000080300000000 ] - [ -0.0014643900000000, -0.0009226900000000, 0.0006838300000000 ] - [ 0.0005300900000000, -0.0001628500000000, -0.0000405200000000 ] - [ -0.0012350000000000, 0.0001204500000000, 0.0007125800000000 ] - [ 0.0005489800000000, -0.0001951800000000, -0.0000194100000000 ] - [ 0.0004735000000000, 0.0009349800000000, -0.0002622700000000 ] - [ -0.0005523800000000, -0.0000609300000000, 0.0001525300000000 ] - [ 0.0002257600000000, -0.0011258200000000, -0.0008523600000000 ] - [ -0.0007321900000000, 0.0001327100000000, 0.0002403500000000 ] - [ 0.0005675800000000, 0.0008207400000000, -0.0000096900000000 ] - [ -0.0004649000000000, -0.0000499300000000, -0.0001769400000000 ] - [ 0.0007772300000000, -0.0029675000000000, 0.0026623400000000 ] - [ -0.0005995200000000, 0.0000808600000000, -0.0002606900000000 ] - [ 0.0140812000000000, 0.0019304600000000, -0.0010643900000000 ] - [ -0.0011460600000000, -0.0002370800000000, -0.0003755000000000 ] - [ 0.0007230900000000, 0.0000145900000000, -0.0001809100000000 ] - [ -0.0006564000000000, -0.0000654200000000, -0.0001841100000000 ] - [ 0.0001822000000000, -0.0000583800000000, -0.0003160600000000 ] - [ -0.0005070500000000, -0.0001519200000000, 0.0003535000000000 ] - [ 0.0003570600000000, -0.0000080500000000, 0.0000088000000000 ] - [ -0.0003593800000000, -0.0001834000000000, 0.0001780000000000 ] - [ 0.0106447100000000, -0.0000073800000000, 0.0012618600000000 ] - [ -0.0011665100000000, -0.0003678000000000, -0.0001706600000000 ] - [ 0.0002574500000000, -0.0003743800000000, -0.0002613900000000 ] - [ -0.0005148800000000, 0.0003547200000000, -0.0000477900000000 ] - [ 0.0007043300000000, -0.0002581500000000, 0.0000669100000000 ] - [ -0.0006444500000000, -0.0001872800000000, 0.0000864800000000 ] - [ 0.0003602600000000, 0.0000477700000000, 0.0000326300000000 ] - [ -0.0003272600000000, 0.0001541200000000, 0.0000362500000000 ] - [ 0.0000349200000000, -0.0013155000000000, 0.0009306600000000 ] - [ -0.0006323500000000, 0.0003347500000000, -0.0002174200000000 ] - [ 0.0006597900000000, 0.0025764000000000, 0.0025800100000000 ] - [ -0.0005508700000000, -0.0000554800000000, -0.0001771400000000 ] - [ 0.0005139700000000, 0.0001651300000000, -0.0006199100000000 ] - [ -0.0005610500000000, 0.0003781600000000, 0.0001618100000000 ] - [ 0.0005769600000000, 0.0002985700000000, -0.0008754600000000 ] - [ -0.0005802100000000, -0.0000418000000000, 0.0001505200000000 ] - [ 0.0056763200000000, -0.0001280200000000, 0.0007925100000000 ] - [ -0.0013196500000000, -0.0003707400000000, -0.0002225900000000 ] - [ 0.0008454400000000, 0.0000720000000000, 0.0002984600000000 ] - [ -0.0009600200000000, -0.0003303000000000, -0.0001878800000000 ] - [ 0.0032520100000000, 0.0006242100000000, 0.0022759100000000 ] - [ -0.0011876100000000, -0.0004199500000000, -0.0003575200000000 ] - [ 0.0005928400000000, -0.0001208300000000, -0.0002428600000000 ] - [ -0.0008974500000000, -0.0003542600000000, -0.0002695300000000 ] - [ 0.0065983100000000, 0.0015915900000000, -0.0001678600000000 ] - [ -0.0007732400000000, 0.0000818300000000, -0.0000120900000000 ] - [ 0.0036802300000000, 0.0025378400000000, -0.0007941500000000 ] - [ -0.0006837000000000, -0.0000621200000000, 0.0000435600000000 ] - [ 0.0012730900000000, 0.0007724300000000, -0.0001976500000000 ] - [ -0.0003888200000000, 0.0000967500000000, 0.0000125000000000 ] - [ 0.0012412800000000, 0.0001823400000000, -0.0000969900000000 ] - [ -0.0004198600000000, 0.0000175800000000, 0.0000524900000000 ] - [ -0.0007427000000000, -0.0014113800000000, -0.0004314600000000 ] - [ -0.0017949800000000, 0.0013075900000000, -0.0003768100000000 ] - [ -0.0020134100000000, 0.0035756900000000, -0.0006374800000000 ] - [ -0.0011243800000000, -0.0003195100000000, -0.0003394000000000 ] - [ 0.0000062200000000, 0.0001050900000000, 0.0000909200000000 ] - [ -0.0007903100000000, 0.0006623700000000, -0.0001266200000000 ] - [ -0.0001073800000000, 0.0001532800000000, 0.0001010900000000 ] - [ -0.0007036500000000, 0.0000539600000000, -0.0001353300000000 ] - [ -0.0012710700000000, -0.0001332700000000, 0.0009123300000000 ] - [ -0.0003102400000000, -0.0003049700000000, -0.0017678500000000 ] - [ -0.0004204900000000, 0.0000564500000000, 0.0002880300000000 ] - [ 0.0005201400000000, -0.0002820100000000, -0.0001772900000000 ] - [ -0.0004616000000000, -0.0001892300000000, -0.0006030000000000 ] - [ -0.0014523900000000, 0.0006682200000000, 0.0031828200000000 ] - [ -0.0001117100000000, 0.0000045200000000, -0.0003475800000000 ] - [ 0.0004263900000000, -0.0004435800000000, -0.0001688500000000 ] - [ 0.0007532500000000, -0.0046833000000000, -0.0002118400000000 ] - [ 0.0006565000000000, -0.0000154600000000, -0.0000421100000000 ] - [ -0.0001701300000000, 0.0028318300000000, 0.0001924600000000 ] - [ 0.0009221800000000, -0.0002320400000000, -0.0000634700000000 ] - [ -0.0002344600000000, -0.0004599600000000, -0.0001256700000000 ] - [ 0.0002476400000000, -0.0000862600000000, -0.0000216800000000 ] - [ -0.0002663100000000, 0.0002764900000000, -0.0002756300000000 ] - [ 0.0002710500000000, -0.0001810000000000, -0.0000234900000000 ] - [ 0.0003482000000000, -0.0003170700000000, -0.0040954100000000 ] - [ 0.0006459600000000, 0.0001364800000000, 0.0000641700000000 ] - [ -0.0002482700000000, 0.0001118700000000, -0.0003927500000000 ] - [ 0.0002417400000000, 0.0000881900000000, -0.0000018500000000 ] - [ 0.0000423000000000, -0.0001398700000000, 0.0033658400000000 ] - [ 0.0009404200000000, 0.0001561700000000, -0.0001551600000000 ] - [ -0.0002432000000000, 0.0000688600000000, 0.0003837600000000 ] - [ 0.0002695100000000, 0.0000966900000000, -0.0000950900000000 ] - [ 0.0020512500000000, 0.0072882100000000, 0.0008630400000000 ] - [ 0.0018827700000000, -0.0011636100000000, 0.0005688400000000 ] - [ -0.0012431500000000, -0.0134687300000000, -0.0017235400000000 ] - [ 0.0016765600000000, 0.0001101800000000, 0.0004473700000000 ] - [ -0.0012026700000000, -0.0008167900000000, 0.0004079000000000 ] - [ 0.0010759600000000, -0.0008708100000000, 0.0000090000000000 ] - [ -0.0010742000000000, -0.0002939400000000, 0.0005052200000000 ] - [ 0.0010613800000000, -0.0002007100000000, -0.0000253900000000 ] - [ -0.0008734500000000, 0.0023863500000000, -0.0134836400000000 ] - [ 0.0016227400000000, 0.0005849000000000, 0.0009157400000000 ] - [ -0.0010596900000000, 0.0001825600000000, 0.0005908300000000 ] - [ 0.0010011700000000, 0.0005891900000000, 0.0005819000000000 ] - [ 0.0018871300000000, 0.0022044700000000, 0.0066384200000000 ] - [ 0.0019506000000000, 0.0003238200000000, -0.0004538500000000 ] - [ -0.0011855300000000, -0.0001697800000000, 0.0000142100000000 ] - [ 0.0011640300000000, 0.0005950000000000, -0.0001421200000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0460858000000000, 0.0028699500000000, -0.0014857000000000 ] - [ -0.0007420400000000, 0.0001885100000000, -0.0000236500000000 ] - [ 0.0006962900000000, 0.0004325700000000, 0.0002170600000000 ] - [ -0.0005413000000000, 0.0001711800000000, -0.0000151200000000 ] - [ 0.0006885100000000, 0.0003177500000000, 0.0002624200000000 ] - [ -0.0005422800000000, 0.0001999900000000, -0.0000218300000000 ] - [ 0.0003127600000000, 0.0002302700000000, 0.0001083400000000 ] - [ -0.0004069400000000, 0.0001690700000000, -0.0000129400000000 ] - [ -0.0004941000000000, -0.0003662700000000, 0.0004928300000000 ] - [ -0.0002991300000000, 0.0002997800000000, -0.0002353700000000 ] - [ -0.0006024700000000, -0.0000093400000000, 0.0005208000000000 ] - [ -0.0003379300000000, -0.0005424800000000, -0.0000543700000000 ] - [ -0.0002991100000000, -0.0004470500000000, -0.0005418500000000 ] - [ -0.0004948600000000, 0.0006599600000000, 0.0002880300000000 ] - [ -0.0003382800000000, -0.0000115500000000, -0.0007256400000000 ] - [ -0.0006045900000000, -0.0008148100000000, 0.0001193300000000 ] - [ -0.0028162700000000, -0.0003958700000000, 0.0001640000000000 ] - [ -0.0028070400000000, 0.0005117700000000, -0.0004950900000000 ] - [ -0.0003110900000000, 0.0006512100000000, 0.0002007900000000 ] - [ 0.0001325700000000, 0.0000947200000000, 0.0000130800000000 ] - [ 0.0001322900000000, 0.0002165900000000, -0.0000116900000000 ] - [ -0.0003018900000000, 0.0002900000000000, 0.0004819500000000 ] - [ 0.0000488900000000, 0.0002721200000000, 0.0000239500000000 ] - [ 0.0000395600000000, 0.0001316700000000, 0.0000713100000000 ] - [ 0.0015938100000000, 0.0004650200000000, 0.0002500400000000 ] - [ -0.0004040800000000, -0.0002970400000000, 0.0000742600000000 ] - [ 0.0013619200000000, -0.0004098200000000, 0.0003394400000000 ] - [ -0.0004253200000000, -0.0002281400000000, 0.0000816200000000 ] - [ 0.0015966400000000, 0.0004837000000000, -0.0006278300000000 ] - [ -0.0004027400000000, -0.0002768000000000, 0.0001101800000000 ] - [ 0.0013627100000000, -0.0005550000000000, -0.0006437300000000 ] - [ -0.0004248400000000, -0.0002391500000000, 0.0000910400000000 ] - [ -0.0004744000000000, -0.0009323100000000, 0.0002577700000000 ] - [ 0.0005504600000000, 0.0000686600000000, -0.0001569600000000 ] - [ -0.0002430900000000, 0.0011105600000000, 0.0008513900000000 ] - [ 0.0007298600000000, -0.0001310600000000, -0.0002454600000000 ] - [ -0.0005698500000000, -0.0008244700000000, 0.0000033500000000 ] - [ 0.0004661000000000, 0.0000470500000000, 0.0001695100000000 ] - [ -0.0007745800000000, 0.0029776700000000, -0.0026790300000000 ] - [ 0.0005966300000000, -0.0000765100000000, 0.0002542200000000 ] - [ -0.0150140100000000, -0.0025231200000000, 0.0015634400000000 ] - [ 0.0011436100000000, -0.0000815700000000, 0.0003885300000000 ] - [ -0.0007258500000000, -0.0003306200000000, 0.0001894300000000 ] - [ 0.0006594700000000, -0.0002543100000000, 0.0001952700000000 ] - [ -0.0002019500000000, -0.0002656300000000, 0.0003102200000000 ] - [ 0.0005037200000000, -0.0001671000000000, -0.0003404000000000 ] - [ -0.0003587000000000, -0.0003106600000000, 0.0000041300000000 ] - [ 0.0003564300000000, -0.0001354400000000, -0.0001604300000000 ] - [ -0.0099283800000000, -0.0004456300000000, -0.0011619800000000 ] - [ 0.0011672600000000, 0.0003687600000000, 0.0001661500000000 ] - [ -0.0002451600000000, 0.0003871900000000, 0.0002513400000000 ] - [ 0.0005176400000000, -0.0003564100000000, 0.0000434700000000 ] - [ -0.0006978200000000, 0.0002533900000000, -0.0000718300000000 ] - [ 0.0006460600000000, 0.0001876900000000, -0.0000908600000000 ] - [ -0.0003561400000000, -0.0000457000000000, -0.0000367100000000 ] - [ 0.0003294500000000, -0.0001587500000000, -0.0000410500000000 ] - [ -0.0000224200000000, 0.0016218600000000, -0.0009257400000000 ] - [ 0.0006360800000000, -0.0000156800000000, 0.0002331400000000 ] - [ -0.0006524200000000, -0.0022473500000000, -0.0025615600000000 ] - [ 0.0005554600000000, 0.0003727400000000, 0.0001840200000000 ] - [ -0.0005093800000000, 0.0001516600000000, 0.0006322500000000 ] - [ 0.0005595100000000, -0.0000598700000000, -0.0001480100000000 ] - [ -0.0005710600000000, 0.0000211300000000, 0.0008865100000000 ] - [ 0.0005804900000000, 0.0003620400000000, -0.0001376700000000 ] - [ -0.0062038500000000, -0.0002987200000000, -0.0009637900000000 ] - [ 0.0007901900000000, -0.0000462200000000, 0.0000029700000000 ] - [ -0.0013724300000000, -0.0004861800000000, -0.0005178300000000 ] - [ 0.0004277800000000, -0.0000839000000000, -0.0000349800000000 ] - [ -0.0037924400000000, -0.0010410100000000, -0.0024983800000000 ] - [ 0.0006581000000000, 0.0000080400000000, 0.0001330200000000 ] - [ -0.0011195100000000, -0.0002909900000000, 0.0000222900000000 ] - [ 0.0003709400000000, -0.0000597800000000, 0.0000467300000000 ] - [ -0.0060770300000000, -0.0012141300000000, -0.0000554000000000 ] - [ 0.0013047400000000, 0.0003329400000000, -0.0002064500000000 ] - [ -0.0031392700000000, -0.0021202500000000, 0.0005721100000000 ] - [ 0.0012099800000000, 0.0004761200000000, -0.0002653400000000 ] - [ -0.0007414100000000, -0.0003547300000000, -0.0000224400000000 ] - [ 0.0009177800000000, 0.0003177300000000, -0.0002374000000000 ] - [ -0.0007105300000000, 0.0002324800000000, -0.0001260900000000 ] - [ 0.0009462300000000, 0.0003989800000000, -0.0002710800000000 ] - [ 0.0002246600000000, 0.0018031700000000, 0.0002098800000000 ] - [ 0.0012734900000000, -0.0008979700000000, 0.0001572200000000 ] - [ 0.0014863600000000, -0.0031636500000000, 0.0004219000000000 ] - [ 0.0005984300000000, 0.0007301900000000, 0.0001182600000000 ] - [ -0.0005318100000000, 0.0003047000000000, -0.0003124400000000 ] - [ 0.0002581300000000, -0.0002482000000000, -0.0000965600000000 ] - [ -0.0004196000000000, 0.0002606100000000, -0.0003192900000000 ] - [ 0.0001778700000000, 0.0003587900000000, -0.0000795700000000 ] - [ 0.0017914600000000, -0.0002804800000000, -0.0011274600000000 ] - [ 0.0008257900000000, -0.0001017400000000, 0.0015703800000000 ] - [ 0.0009559600000000, -0.0004692900000000, -0.0005156100000000 ] - [ 0.0000044200000000, -0.0001248700000000, -0.0000412400000000 ] - [ 0.0009918800000000, -0.0002244000000000, 0.0003793800000000 ] - [ 0.0019791400000000, -0.0010756700000000, -0.0034023900000000 ] - [ 0.0006370800000000, -0.0004125500000000, 0.0001277200000000 ] - [ 0.0001002200000000, 0.0000309800000000, -0.0000517900000000 ] - [ -0.0007474100000000, 0.0044854700000000, 0.0001476900000000 ] - [ -0.0006564800000000, -0.0002177000000000, -0.0000204400000000 ] - [ 0.0001750500000000, -0.0030743800000000, -0.0002567700000000 ] - [ -0.0009243000000000, -0.0000017900000000, 0.0000000100000000 ] - [ 0.0002349200000000, 0.0002243100000000, 0.0000611200000000 ] - [ -0.0002491700000000, -0.0001476500000000, -0.0000439100000000 ] - [ 0.0002668500000000, -0.0005086200000000, 0.0002121800000000 ] - [ -0.0002724300000000, -0.0000533800000000, -0.0000407100000000 ] - [ -0.0003545400000000, 0.0005423400000000, 0.0040046000000000 ] - [ -0.0006475900000000, 0.0000952400000000, -0.0001279300000000 ] - [ 0.0002473900000000, 0.0001203000000000, 0.0003303600000000 ] - [ -0.0002418100000000, 0.0001451100000000, -0.0000621200000000 ] - [ -0.0000489700000000, 0.0003698500000000, -0.0034178400000000 ] - [ -0.0009410600000000, 0.0000765600000000, 0.0000897000000000 ] - [ 0.0002414900000000, 0.0001622300000000, -0.0004485100000000 ] - [ -0.0002703400000000, 0.0001359900000000, 0.0000322900000000 ] - [ -0.0021147700000000, -0.0083687600000000, -0.0004768700000000 ] - [ -0.0018895400000000, 0.0000258000000000, -0.0002091400000000 ] - [ 0.0012518300000000, 0.0123116700000000, 0.0020904900000000 ] - [ -0.0016767900000000, -0.0012516300000000, -0.0000831500000000 ] - [ 0.0011980500000000, -0.0003254700000000, -0.0000462000000000 ] - [ -0.0010754400000000, -0.0002702500000000, 0.0003530100000000 ] - [ 0.0010714800000000, -0.0008452900000000, -0.0001409600000000 ] - [ -0.0010632800000000, -0.0009407500000000, 0.0003864700000000 ] - [ 0.0008638600000000, -0.0012532100000000, 0.0138668200000000 ] - [ -0.0016220200000000, 0.0005547700000000, -0.0005524800000000 ] - [ 0.0010641400000000, 0.0009583200000000, -0.0002290600000000 ] - [ -0.0010019200000000, 0.0005531100000000, -0.0002192900000000 ] - [ -0.0018219400000000, -0.0010630900000000, -0.0063240100000000 ] - [ -0.0019466500000000, 0.0008136400000000, 0.0008143500000000 ] - [ 0.0011866800000000, 0.0013093800000000, 0.0003487000000000 ] - [ -0.0011665300000000, 0.0005471800000000, 0.0005031700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0026279700000000, -0.0475472700000000, -0.0028779300000000 ] - [ -0.0000352500000000, 0.0000726100000000, 0.0000494900000000 ] - [ -0.0002816600000000, 0.0022550700000000, 0.0001724000000000 ] - [ -0.0000168100000000, 0.0003411100000000, 0.0000439600000000 ] - [ -0.0001712400000000, -0.0001144100000000, -0.0001127900000000 ] - [ -0.0000396200000000, 0.0001420100000000, 0.0000160500000000 ] - [ -0.0000820300000000, 0.0005741500000000, 0.0000460700000000 ] - [ -0.0000172900000000, 0.0002962600000000, 0.0000440400000000 ] - [ 0.0008131700000000, -0.0006718400000000, -0.0003883200000000 ] - [ -0.0002929100000000, -0.0004883500000000, -0.0000795800000000 ] - [ -0.0006553600000000, 0.0001267000000000, 0.0003348200000000 ] - [ 0.0001415300000000, 0.0000950300000000, 0.0000663200000000 ] - [ 0.0004524900000000, -0.0004867700000000, 0.0007358100000000 ] - [ -0.0002091100000000, -0.0006695800000000, 0.0001348100000000 ] - [ -0.0003899100000000, 0.0000924300000000, -0.0004047100000000 ] - [ 0.0001405200000000, 0.0001236600000000, -0.0000270500000000 ] - [ -0.0005520000000000, -0.0018488800000000, 0.0000683300000000 ] - [ 0.0003708000000000, -0.0003852500000000, 0.0003316500000000 ] - [ 0.0004919000000000, 0.0013393100000000, 0.0000690600000000 ] - [ -0.0000569700000000, 0.0004867700000000, 0.0000435200000000 ] - [ 0.0000597600000000, -0.0001245500000000, 0.0000027400000000 ] - [ 0.0001381900000000, 0.0000950300000000, -0.0001441700000000 ] - [ 0.0001159500000000, 0.0005287400000000, 0.0000382800000000 ] - [ -0.0000259600000000, 0.0003572700000000, 0.0000543500000000 ] - [ -0.0006430800000000, -0.0001776200000000, -0.0028480900000000 ] - [ 0.0001222100000000, -0.0003216400000000, 0.0000154900000000 ] - [ 0.0003988400000000, 0.0005911800000000, 0.0007721000000000 ] - [ 0.0000812800000000, -0.0001146600000000, 0.0000379500000000 ] - [ -0.0006238800000000, -0.0001804800000000, 0.0033220400000000 ] - [ 0.0001383200000000, -0.0003242800000000, 0.0000660500000000 ] - [ 0.0002526100000000, 0.0005856000000000, -0.0010486000000000 ] - [ 0.0000749100000000, -0.0001066500000000, 0.0000094900000000 ] - [ 0.0007304700000000, -0.0009690600000000, 0.0008944400000000 ] - [ -0.0003592700000000, -0.0002370700000000, 0.0001602100000000 ] - [ -0.0006128000000000, 0.0006154100000000, -0.0013908700000000 ] - [ 0.0002018400000000, 0.0001886500000000, -0.0001329000000000 ] - [ 0.0007799200000000, -0.0006408200000000, -0.0007044700000000 ] - [ -0.0003033500000000, -0.0002356400000000, -0.0001674300000000 ] - [ -0.0004700200000000, -0.0000125700000000, 0.0007143500000000 ] - [ 0.0001686000000000, 0.0001631100000000, 0.0001110800000000 ] - [ 0.0023063400000000, 0.0060077400000000, -0.0003476500000000 ] - [ 0.0002168700000000, 0.0003258000000000, 0.0000918300000000 ] - [ 0.0003123900000000, -0.0013059700000000, -0.0002189400000000 ] - [ -0.0001582200000000, -0.0005750700000000, -0.0000590800000000 ] - [ 0.0003143900000000, 0.0000840300000000, 0.0001083200000000 ] - [ -0.0000199900000000, -0.0000139400000000, -0.0000456800000000 ] - [ 0.0000267200000000, -0.0005948700000000, 0.0002056100000000 ] - [ -0.0000556200000000, -0.0003345600000000, 0.0000660700000000 ] - [ -0.0002270200000000, 0.0052579800000000, -0.0003939200000000 ] - [ -0.0002211700000000, 0.0000006300000000, -0.0000683000000000 ] - [ -0.0017762200000000, -0.0043696400000000, 0.0002424300000000 ] - [ 0.0000361400000000, -0.0000665700000000, -0.0000009000000000 ] - [ 0.0000679800000000, 0.0003585900000000, 0.0000535400000000 ] - [ -0.0001055700000000, -0.0000183400000000, 0.0000497700000000 ] - [ 0.0000070300000000, -0.0005147900000000, -0.0000564700000000 ] - [ 0.0000170700000000, -0.0000007000000000, 0.0000061700000000 ] - [ -0.0025673200000000, -0.0011448100000000, 0.0029037800000000 ] - [ 0.0000441100000000, 0.0002223200000000, 0.0000404400000000 ] - [ 0.0009322700000000, -0.0014670300000000, -0.0015414200000000 ] - [ -0.0001046800000000, 0.0000715600000000, -0.0000634100000000 ] - [ -0.0003021600000000, 0.0001556300000000, -0.0013193600000000 ] - [ -0.0000165500000000, 0.0002737900000000, -0.0000033800000000 ] - [ 0.0001978400000000, -0.0000697800000000, 0.0008311500000000 ] - [ -0.0000986700000000, 0.0000558900000000, 0.0000574900000000 ] - [ -0.0001632200000000, 0.0057815700000000, -0.0013979700000000 ] - [ -0.0002445800000000, -0.0000564800000000, -0.0000944400000000 ] - [ -0.0002881300000000, -0.0013387000000000, -0.0001177600000000 ] - [ -0.0003959200000000, -0.0003953600000000, -0.0001495900000000 ] - [ 0.0004802100000000, 0.0016633700000000, 0.0004697800000000 ] - [ -0.0002519400000000, -0.0000622000000000, -0.0000536500000000 ] - [ -0.0003972000000000, -0.0010588800000000, -0.0001230900000000 ] - [ -0.0003922100000000, -0.0003910000000000, -0.0001634600000000 ] - [ 0.0005780600000000, 0.0167809500000000, 0.0047365300000000 ] - [ 0.0002586500000000, 0.0002979800000000, -0.0001261600000000 ] - [ 0.0013466100000000, -0.0037612400000000, 0.0002978300000000 ] - [ 0.0001507600000000, 0.0000817900000000, -0.0000915400000000 ] - [ 0.0006082100000000, 0.0005841300000000, 0.0000158200000000 ] - [ 0.0002230100000000, 0.0002778000000000, -0.0000947600000000 ] - [ 0.0001760500000000, -0.0000604600000000, -0.0001967300000000 ] - [ 0.0001813400000000, 0.0001076900000000, -0.0000832200000000 ] - [ -0.0042244100000000, 0.0009387300000000, -0.0004378300000000 ] - [ 0.0000970400000000, 0.0005027100000000, -0.0002136700000000 ] - [ 0.0013467900000000, -0.0016876500000000, 0.0003516200000000 ] - [ -0.0006076500000000, -0.0000477600000000, -0.0001366800000000 ] - [ -0.0006226800000000, 0.0004889500000000, -0.0000713200000000 ] - [ -0.0002278800000000, 0.0003999100000000, -0.0000295400000000 ] - [ 0.0000060700000000, -0.0000123300000000, -0.0001246600000000 ] - [ -0.0003748200000000, 0.0000466700000000, -0.0001441200000000 ] - [ 0.0003801800000000, 0.0006259200000000, -0.0002970300000000 ] - [ 0.0001263900000000, 0.0004964200000000, -0.0000858500000000 ] - [ 0.0001507200000000, -0.0008667100000000, -0.0000406500000000 ] - [ 0.0004894000000000, -0.0007344300000000, -0.0001906200000000 ] - [ 0.0002593600000000, 0.0003482100000000, -0.0000196700000000 ] - [ -0.0005202700000000, 0.0003025800000000, 0.0012005100000000 ] - [ 0.0002515400000000, -0.0006449200000000, -0.0001176600000000 ] - [ 0.0005238400000000, -0.0006775800000000, -0.0002516300000000 ] - [ -0.0044731000000000, 0.0033360000000000, 0.0002305100000000 ] - [ 0.0005658700000000, -0.0001267700000000, -0.0000872100000000 ] - [ 0.0029731000000000, 0.0029477800000000, -0.0001482500000000 ] - [ -0.0004240000000000, -0.0000117000000000, 0.0000053700000000 ] - [ -0.0001544500000000, -0.0003301500000000, -0.0000749100000000 ] - [ 0.0001554300000000, -0.0001696400000000, -0.0000507800000000 ] - [ 0.0000494000000000, 0.0000648300000000, -0.0000475300000000 ] - [ -0.0000669900000000, -0.0000666200000000, -0.0000286800000000 ] - [ -0.0007134500000000, -0.0015916200000000, 0.0013144200000000 ] - [ 0.0000716900000000, 0.0000356800000000, -0.0000091600000000 ] - [ 0.0000238300000000, 0.0012004700000000, -0.0003880500000000 ] - [ -0.0000297900000000, 0.0001954300000000, -0.0000509800000000 ] - [ -0.0006034400000000, -0.0014934600000000, -0.0011539600000000 ] - [ 0.0002018600000000, 0.0000572300000000, -0.0000472500000000 ] - [ 0.0001088100000000, 0.0010968900000000, 0.0003500300000000 ] - [ -0.0000289900000000, 0.0001918700000000, -0.0000340000000000 ] - [ 0.0130475700000000, 0.0092469100000000, -0.0027224900000000 ] - [ -0.0001985500000000, -0.0004828500000000, 0.0000905400000000 ] - [ -0.0076454800000000, 0.0098512400000000, 0.0012560000000000 ] - [ 0.0003792500000000, -0.0004640700000000, 0.0003121000000000 ] - [ -0.0001009700000000, -0.0003946400000000, 0.0006951300000000 ] - [ 0.0000190700000000, -0.0006549100000000, 0.0001492500000000 ] - [ -0.0001269700000000, -0.0006818100000000, -0.0002425600000000 ] - [ 0.0001738300000000, -0.0004702700000000, 0.0001152800000000 ] - [ 0.0010969000000000, -0.0006049300000000, -0.0045147100000000 ] - [ -0.0001282200000000, 0.0000963800000000, -0.0000484000000000 ] - [ -0.0003365200000000, 0.0021914200000000, 0.0007264600000000 ] - [ 0.0002079400000000, 0.0011430400000000, 0.0003296900000000 ] - [ 0.0010269900000000, -0.0013297500000000, 0.0029875700000000 ] - [ -0.0001054100000000, 0.0002040900000000, 0.0002967700000000 ] - [ -0.0001945500000000, 0.0022531100000000, -0.0000749000000000 ] - [ 0.0002731800000000, 0.0010805100000000, 0.0000797900000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0019211100000000, 0.0465514000000000, 0.0023614100000000 ] - [ -0.0000950300000000, 0.0003578300000000, 0.0000173000000000 ] - [ 0.0001497000000000, -0.0018315600000000, -0.0001054700000000 ] - [ -0.0001135300000000, 0.0000897000000000, 0.0000240900000000 ] - [ 0.0000355100000000, 0.0005452800000000, 0.0001785900000000 ] - [ -0.0000915800000000, 0.0002923800000000, 0.0000504100000000 ] - [ -0.0000493100000000, -0.0001413900000000, 0.0000212400000000 ] - [ -0.0001137700000000, 0.0001330500000000, 0.0000247400000000 ] - [ -0.0009412500000000, 0.0002369700000000, 0.0004512000000000 ] - [ 0.0001615400000000, 0.0000540600000000, 0.0001472700000000 ] - [ 0.0005279900000000, -0.0005555400000000, -0.0002675800000000 ] - [ -0.0002738800000000, -0.0005226400000000, 0.0000000900000000 ] - [ -0.0005825100000000, 0.0000580800000000, -0.0006640900000000 ] - [ 0.0000782100000000, 0.0002356900000000, -0.0000666100000000 ] - [ 0.0002620100000000, -0.0005237500000000, 0.0004732400000000 ] - [ -0.0002721200000000, -0.0005549600000000, 0.0000938700000000 ] - [ 0.0006728300000000, 0.0022772500000000, -0.0000003100000000 ] - [ -0.0002347300000000, 0.0008169800000000, -0.0002617300000000 ] - [ -0.0003631300000000, -0.0009020000000000, 0.0000015200000000 ] - [ 0.0001771900000000, -0.0000580600000000, 0.0000285300000000 ] - [ 0.0000649200000000, 0.0005517800000000, 0.0000704200000000 ] - [ -0.0000134800000000, 0.0003334700000000, 0.0002149400000000 ] - [ 0.0000081200000000, -0.0000967400000000, 0.0000323700000000 ] - [ 0.0001508900000000, 0.0000799600000000, 0.0000139700000000 ] - [ 0.0007624500000000, -0.0002598200000000, 0.0028932700000000 ] - [ 0.0000033800000000, -0.0001072700000000, 0.0000559400000000 ] - [ -0.0002766800000000, -0.0010227400000000, -0.0007092900000000 ] - [ 0.0000439400000000, -0.0003218700000000, 0.0000315600000000 ] - [ 0.0007492600000000, -0.0002572200000000, -0.0032375100000000 ] - [ -0.0000134500000000, -0.0001098600000000, 0.0000043500000000 ] - [ -0.0001295200000000, -0.0010227200000000, 0.0011278200000000 ] - [ 0.0000495100000000, -0.0003211500000000, 0.0000620100000000 ] - [ -0.0007222500000000, 0.0009769500000000, -0.0008908500000000 ] - [ 0.0003548400000000, 0.0002452900000000, -0.0001639900000000 ] - [ 0.0006199900000000, -0.0006264600000000, 0.0014004600000000 ] - [ -0.0002026900000000, -0.0001795100000000, 0.0001284700000000 ] - [ -0.0007798500000000, 0.0006537200000000, 0.0006949800000000 ] - [ 0.0003028000000000, 0.0002414000000000, 0.0001623400000000 ] - [ 0.0004779400000000, -0.0000043500000000, -0.0007145100000000 ] - [ -0.0001661400000000, -0.0001502600000000, -0.0001152200000000 ] - [ -0.0023112700000000, -0.0063052400000000, 0.0003818500000000 ] - [ -0.0002163700000000, -0.0006443400000000, -0.0000796400000000 ] - [ -0.0003042500000000, 0.0009858800000000, 0.0002306500000000 ] - [ 0.0001551900000000, 0.0002531400000000, 0.0000758000000000 ] - [ -0.0003215200000000, -0.0004134600000000, -0.0001099800000000 ] - [ 0.0000226400000000, -0.0003092700000000, 0.0000659800000000 ] - [ -0.0000199800000000, 0.0002756900000000, -0.0001904300000000 ] - [ 0.0000620600000000, 0.0000137100000000, -0.0000475200000000 ] - [ 0.0004456500000000, -0.0053919700000000, 0.0004173500000000 ] - [ 0.0002184200000000, -0.0000084000000000, 0.0000632000000000 ] - [ 0.0017851600000000, 0.0043768400000000, -0.0002545500000000 ] - [ -0.0000332700000000, 0.0000565800000000, -0.0000035500000000 ] - [ -0.0000686700000000, -0.0003694800000000, -0.0000585100000000 ] - [ 0.0001050400000000, 0.0000055700000000, -0.0000542500000000 ] - [ -0.0000114100000000, 0.0005098300000000, 0.0000524400000000 ] - [ -0.0000164100000000, -0.0000023800000000, -0.0000105600000000 ] - [ 0.0025533100000000, 0.0014579800000000, -0.0028771700000000 ] - [ -0.0000445300000000, 0.0001013100000000, -0.0000267200000000 ] - [ -0.0009476100000000, 0.0017838600000000, 0.0015534100000000 ] - [ 0.0001104100000000, 0.0002492800000000, 0.0000756000000000 ] - [ 0.0003080000000000, 0.0001685000000000, 0.0013292100000000 ] - [ 0.0000192100000000, 0.0000486700000000, 0.0000118300000000 ] - [ -0.0002045800000000, 0.0003894700000000, -0.0008227500000000 ] - [ 0.0001040900000000, 0.0002640000000000, -0.0000484300000000 ] - [ -0.0003440300000000, -0.0062023600000000, 0.0012686700000000 ] - [ -0.0002829300000000, -0.0003586700000000, -0.0001254900000000 ] - [ -0.0002363300000000, 0.0009270600000000, -0.0000993400000000 ] - [ -0.0001407800000000, -0.0000226200000000, -0.0000775900000000 ] - [ -0.0010081100000000, -0.0020788900000000, -0.0006696100000000 ] - [ -0.0002798400000000, -0.0003531800000000, -0.0001715300000000 ] - [ -0.0001269500000000, 0.0006500500000000, -0.0000982100000000 ] - [ -0.0001338800000000, -0.0000232100000000, -0.0000550400000000 ] - [ 0.0002614000000000, -0.0151431100000000, -0.0045580500000000 ] - [ 0.0002707000000000, 0.0001198000000000, -0.0000945200000000 ] - [ -0.0008545600000000, 0.0042112300000000, -0.0005184500000000 ] - [ 0.0003808900000000, 0.0003378900000000, -0.0001301300000000 ] - [ -0.0000734800000000, -0.0001628100000000, -0.0002380600000000 ] - [ 0.0003077700000000, 0.0001420100000000, -0.0001264900000000 ] - [ 0.0003544600000000, 0.0004714100000000, -0.0000237800000000 ] - [ 0.0003488500000000, 0.0003090900000000, -0.0001396600000000 ] - [ 0.0036759100000000, -0.0005213300000000, 0.0002143900000000 ] - [ -0.0006225800000000, -0.0000817800000000, -0.0000039800000000 ] - [ -0.0018829900000000, 0.0020848500000000, -0.0005767700000000 ] - [ 0.0000841000000000, 0.0004638300000000, -0.0000788600000000 ] - [ 0.0000948900000000, -0.0000655100000000, -0.0001427400000000 ] - [ -0.0003039600000000, 0.0000228300000000, -0.0001923000000000 ] - [ -0.0005357400000000, 0.0004336700000000, -0.0000948300000000 ] - [ -0.0001531000000000, 0.0003692500000000, -0.0000733500000000 ] - [ 0.0001478700000000, -0.0010341700000000, 0.0000770900000000 ] - [ 0.0003912800000000, -0.0009145900000000, -0.0001386900000000 ] - [ 0.0003789700000000, 0.0004521100000000, -0.0001808400000000 ] - [ 0.0000444200000000, 0.0003213000000000, -0.0000343300000000 ] - [ 0.0002753500000000, -0.0007621300000000, -0.0002076900000000 ] - [ 0.0010399800000000, -0.0007085700000000, -0.0014082900000000 ] - [ 0.0002830400000000, 0.0002270900000000, -0.0001095400000000 ] - [ 0.0000110200000000, 0.0002651800000000, 0.0000265200000000 ] - [ 0.0044218100000000, -0.0035359900000000, -0.0002919200000000 ] - [ -0.0005633500000000, -0.0001059200000000, 0.0000201400000000 ] - [ -0.0030185600000000, -0.0032088100000000, 0.0000853000000000 ] - [ 0.0004238700000000, -0.0002213200000000, -0.0000722900000000 ] - [ 0.0001543200000000, 0.0000928100000000, 0.0000063600000000 ] - [ -0.0001542600000000, -0.0000646000000000, -0.0000169300000000 ] - [ -0.0000495200000000, -0.0002949100000000, -0.0000219500000000 ] - [ 0.0000678100000000, -0.0001655500000000, -0.0000386000000000 ] - [ 0.0007033600000000, 0.0018367600000000, -0.0013699300000000 ] - [ -0.0000691400000000, 0.0001997900000000, -0.0000585500000000 ] - [ -0.0000224000000000, -0.0009629900000000, 0.0003188200000000 ] - [ 0.0000284800000000, 0.0000406000000000, -0.0000163500000000 ] - [ 0.0005940000000000, 0.0017358400000000, 0.0010754900000000 ] - [ -0.0001989700000000, 0.0001787500000000, -0.0000207600000000 ] - [ -0.0001058200000000, -0.0008629400000000, -0.0004140600000000 ] - [ 0.0000293800000000, 0.0000431600000000, -0.0000331300000000 ] - [ -0.0129881600000000, -0.0102901800000000, 0.0031253300000000 ] - [ 0.0001992600000000, -0.0006525000000000, 0.0002729700000000 ] - [ 0.0077990500000000, -0.0109906800000000, -0.0008885700000000 ] - [ -0.0003795900000000, -0.0006666100000000, 0.0000523000000000 ] - [ 0.0000973100000000, -0.0007444900000000, -0.0003327000000000 ] - [ -0.0000176900000000, -0.0004848800000000, 0.0002169500000000 ] - [ 0.0001272200000000, -0.0004469000000000, 0.0006082600000000 ] - [ -0.0001722600000000, -0.0006604800000000, 0.0002499600000000 ] - [ -0.0010914700000000, 0.0017792800000000, 0.0048308700000000 ] - [ 0.0001283500000000, 0.0010463500000000, 0.0004119400000000 ] - [ 0.0003292600000000, -0.0010518100000000, -0.0003579000000000 ] - [ -0.0002087500000000, -0.0000000300000000, 0.0000313500000000 ] - [ -0.0009942800000000, 0.0025333200000000, -0.0026080600000000 ] - [ 0.0001075600000000, 0.0009377100000000, 0.0000617300000000 ] - [ 0.0001898900000000, -0.0011085200000000, 0.0004323600000000 ] - [ -0.0002668800000000, 0.0000628000000000, 0.0002805600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0014167800000000, -0.0024070900000000, -0.0458627300000000 ] - [ -0.0000142100000000, 0.0002301300000000, -0.0000805200000000 ] - [ -0.0002524900000000, 0.0003496300000000, -0.0003658800000000 ] - [ -0.0000187300000000, 0.0002226600000000, -0.0000264400000000 ] - [ -0.0002912400000000, 0.0000704100000000, 0.0024866400000000 ] - [ -0.0000161300000000, 0.0001965800000000, 0.0001394300000000 ] - [ -0.0001397000000000, 0.0002267300000000, 0.0003386900000000 ] - [ -0.0000241700000000, 0.0002246300000000, 0.0000913100000000 ] - [ -0.0003222200000000, -0.0003185900000000, 0.0000813300000000 ] - [ 0.0005101200000000, -0.0009121200000000, 0.0002108700000000 ] - [ -0.0001598300000000, -0.0001594300000000, 0.0000343500000000 ] - [ 0.0006903900000000, 0.0002215400000000, 0.0000997800000000 ] - [ 0.0001990900000000, -0.0001059400000000, 0.0002054800000000 ] - [ -0.0005276900000000, 0.0002062200000000, 0.0000822000000000 ] - [ 0.0000244600000000, -0.0002515300000000, 0.0000955200000000 ] - [ -0.0005538600000000, -0.0005112900000000, 0.0000377700000000 ] - [ 0.0001893800000000, 0.0002454200000000, -0.0004719600000000 ] - [ -0.0004670600000000, 0.0005157200000000, -0.0017070500000000 ] - [ 0.0002301900000000, 0.0002499000000000, -0.0001266300000000 ] - [ 0.0000340800000000, 0.0002192800000000, -0.0002781300000000 ] - [ 0.0000214200000000, 0.0001782300000000, 0.0002781000000000 ] - [ 0.0005053700000000, 0.0000361500000000, 0.0010547700000000 ] - [ 0.0000535100000000, 0.0002140900000000, 0.0001272200000000 ] - [ 0.0001055000000000, 0.0002392700000000, 0.0003093500000000 ] - [ -0.0005939600000000, -0.0034797900000000, 0.0020800900000000 ] - [ 0.0001372400000000, -0.0002495100000000, 0.0000298000000000 ] - [ -0.0006139700000000, 0.0008715700000000, 0.0002685200000000 ] - [ 0.0001205900000000, -0.0001938600000000, 0.0000299200000000 ] - [ 0.0002705900000000, 0.0026786500000000, 0.0020928800000000 ] - [ 0.0001039300000000, -0.0001944200000000, 0.0000352800000000 ] - [ 0.0003684000000000, -0.0009624000000000, 0.0002617200000000 ] - [ 0.0001097200000000, -0.0002178100000000, 0.0000315800000000 ] - [ -0.0003233800000000, 0.0014596200000000, -0.0001173900000000 ] - [ 0.0000026400000000, 0.0000202000000000, 0.0000336300000000 ] - [ -0.0022559700000000, -0.0032431100000000, -0.0005983100000000 ] - [ 0.0000099800000000, -0.0000945800000000, 0.0000211500000000 ] - [ 0.0003572600000000, -0.0008731500000000, -0.0002557300000000 ] - [ -0.0001214900000000, -0.0000498800000000, -0.0000677500000000 ] - [ 0.0008360100000000, 0.0015682700000000, -0.0009824700000000 ] - [ -0.0001164600000000, 0.0000779900000000, -0.0000438700000000 ] - [ -0.0021634600000000, -0.0008394300000000, 0.0065207800000000 ] - [ -0.0001603000000000, -0.0001287800000000, 0.0000864400000000 ] - [ 0.0002076000000000, -0.0003393400000000, 0.0003530600000000 ] - [ -0.0001335500000000, -0.0001875400000000, 0.0000349400000000 ] - [ -0.0019656000000000, -0.0006933100000000, -0.0047868300000000 ] - [ 0.0000132200000000, -0.0001762000000000, -0.0001105300000000 ] - [ 0.0000289200000000, 0.0000029000000000, -0.0005199600000000 ] - [ -0.0000167400000000, -0.0001607900000000, -0.0000309400000000 ] - [ 0.0010253400000000, -0.0000435400000000, 0.0060479700000000 ] - [ 0.0001796100000000, 0.0000170600000000, 0.0004809700000000 ] - [ -0.0009494700000000, -0.0011039000000000, 0.0006582600000000 ] - [ 0.0000444400000000, -0.0000570300000000, 0.0001917200000000 ] - [ 0.0002599000000000, -0.0002267600000000, -0.0011780400000000 ] - [ -0.0002014200000000, -0.0000613300000000, -0.0004072600000000 ] - [ 0.0001853200000000, 0.0000123000000000, -0.0003887300000000 ] - [ -0.0001053100000000, 0.0000509500000000, -0.0001730000000000 ] - [ 0.0006934900000000, 0.0019569300000000, 0.0021094000000000 ] - [ -0.0002547700000000, 0.0003688800000000, 0.0004022500000000 ] - [ 0.0010473100000000, -0.0001365400000000, 0.0016486400000000 ] - [ -0.0003054600000000, 0.0000518900000000, 0.0004188600000000 ] - [ -0.0002564500000000, -0.0003110000000000, -0.0011792400000000 ] - [ 0.0000726900000000, 0.0000599200000000, -0.0003092400000000 ] - [ -0.0002776800000000, 0.0004084900000000, -0.0008749700000000 ] - [ 0.0001181700000000, 0.0002076400000000, -0.0003407500000000 ] - [ 0.0000394300000000, -0.0014986600000000, 0.0168434900000000 ] - [ -0.0002779700000000, -0.0002056500000000, -0.0000733500000000 ] - [ 0.0000875900000000, -0.0002187100000000, 0.0001457600000000 ] - [ -0.0003300900000000, -0.0002126600000000, -0.0001008300000000 ] - [ 0.0020783200000000, 0.0003560700000000, -0.0053269100000000 ] - [ -0.0004129000000000, -0.0002312000000000, -0.0002000300000000 ] - [ -0.0003164600000000, -0.0002224200000000, -0.0003260100000000 ] - [ -0.0003621100000000, -0.0002509200000000, -0.0001725300000000 ] - [ 0.0002067400000000, 0.0047281600000000, 0.0075510800000000 ] - [ 0.0002525300000000, 0.0001733400000000, 0.0000353200000000 ] - [ 0.0000045800000000, 0.0009581500000000, 0.0009284600000000 ] - [ 0.0002483300000000, 0.0002066400000000, 0.0000141400000000 ] - [ 0.0009178300000000, 0.0007975600000000, -0.0016898700000000 ] - [ 0.0001428900000000, 0.0002377100000000, -0.0002211300000000 ] - [ 0.0007315400000000, 0.0000240300000000, -0.0008416900000000 ] - [ 0.0001311900000000, 0.0001718300000000, -0.0002051000000000 ] - [ -0.0012658900000000, -0.0000252700000000, 0.0006049600000000 ] - [ 0.0001063000000000, -0.0000318500000000, 0.0004925600000000 ] - [ -0.0004393800000000, 0.0005255300000000, -0.0000244400000000 ] - [ 0.0000271900000000, 0.0003984900000000, 0.0003609700000000 ] - [ -0.0001598400000000, 0.0003376500000000, -0.0005017200000000 ] - [ -0.0006321200000000, 0.0004605400000000, -0.0006906300000000 ] - [ -0.0002028200000000, 0.0001556500000000, -0.0003412100000000 ] - [ -0.0006465400000000, 0.0000867800000000, -0.0006268800000000 ] - [ 0.0006655300000000, -0.0002948200000000, 0.0000266300000000 ] - [ -0.0037226200000000, -0.0001007800000000, 0.0003898300000000 ] - [ 0.0002601800000000, -0.0001870800000000, -0.0000178300000000 ] - [ -0.0000102200000000, -0.0001778100000000, 0.0000422100000000 ] - [ -0.0001371100000000, -0.0001141500000000, -0.0002767400000000 ] - [ 0.0019632800000000, -0.0005075200000000, -0.0013842800000000 ] - [ 0.0001645900000000, -0.0002013400000000, -0.0002078400000000 ] - [ 0.0005459700000000, -0.0002951100000000, -0.0002831000000000 ] - [ -0.0001337200000000, -0.0001714300000000, -0.0020630500000000 ] - [ 0.0001234000000000, -0.0001082300000000, -0.0001453700000000 ] - [ 0.0000710200000000, -0.0002896000000000, -0.0018746900000000 ] - [ 0.0001020200000000, -0.0001298200000000, -0.0001248000000000 ] - [ -0.0000291700000000, -0.0002191900000000, 0.0007785800000000 ] - [ 0.0000257200000000, -0.0001220400000000, 0.0000478700000000 ] - [ -0.0000525500000000, 0.0001407100000000, 0.0010483400000000 ] - [ 0.0000240500000000, -0.0001085200000000, 0.0000457000000000 ] - [ -0.0038966800000000, 0.0012295100000000, 0.0028821500000000 ] - [ 0.0005590000000000, 0.0001947900000000, -0.0000239200000000 ] - [ -0.0001321200000000, 0.0000485400000000, -0.0001210500000000 ] - [ 0.0001456500000000, 0.0001243200000000, -0.0000476400000000 ] - [ 0.0034555900000000, -0.0009460000000000, 0.0031268200000000 ] - [ -0.0003554400000000, 0.0000749300000000, 0.0000262000000000 ] - [ 0.0000907200000000, 0.0002093100000000, 0.0001441900000000 ] - [ -0.0000673300000000, 0.0001116400000000, -0.0000211200000000 ] - [ 0.0023041600000000, -0.0009365700000000, -0.0050817300000000 ] - [ -0.0001011100000000, -0.0005428800000000, -0.0005532300000000 ] - [ -0.0005841800000000, -0.0014309100000000, -0.0027498700000000 ] - [ -0.0001444400000000, -0.0005861000000000, -0.0006243500000000 ] - [ -0.0006488700000000, -0.0007441300000000, 0.0018471300000000 ] - [ 0.0003275900000000, -0.0006591600000000, 0.0007524900000000 ] - [ -0.0003597500000000, -0.0003096900000000, 0.0016134600000000 ] - [ 0.0003482700000000, -0.0005305800000000, 0.0008246100000000 ] - [ -0.0097398500000000, -0.0033154500000000, 0.0085432600000000 ] - [ 0.0004016600000000, 0.0004292400000000, 0.0001527500000000 ] - [ -0.0002158900000000, 0.0012078700000000, 0.0000993300000000 ] - [ 0.0001956300000000, 0.0006385300000000, 0.0002374400000000 ] - [ 0.0123573300000000, 0.0058896100000000, 0.0081726200000000 ] - [ -0.0001653600000000, 0.0007408400000000, 0.0002982700000000 ] - [ -0.0001951200000000, -0.0002450300000000, 0.0004663200000000 ] - [ 0.0000619100000000, 0.0005434700000000, 0.0001736200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0009869000000000, 0.0028212300000000, 0.0476583600000000 ] - [ -0.0001205600000000, 0.0001956400000000, 0.0001501200000000 ] - [ 0.0001207700000000, 0.0000750400000000, 0.0004331900000000 ] - [ -0.0001136600000000, 0.0002046200000000, 0.0000980500000000 ] - [ 0.0001621800000000, 0.0003599500000000, -0.0024067900000000 ] - [ -0.0001172100000000, 0.0002287600000000, -0.0000740400000000 ] - [ 0.0000088800000000, 0.0002019500000000, -0.0002698200000000 ] - [ -0.0001127400000000, 0.0002053400000000, -0.0000327300000000 ] - [ 0.0001887700000000, -0.0001152200000000, -0.0000140400000000 ] - [ -0.0006436700000000, 0.0004844200000000, -0.0001482800000000 ] - [ 0.0000209800000000, -0.0002756500000000, 0.0000305400000000 ] - [ -0.0008236200000000, -0.0006559100000000, -0.0000337100000000 ] - [ -0.0003344300000000, -0.0003276300000000, -0.0001492800000000 ] - [ 0.0003966900000000, -0.0006345800000000, -0.0000162600000000 ] - [ -0.0001556700000000, -0.0001833400000000, -0.0000379200000000 ] - [ 0.0004172100000000, 0.0000833900000000, 0.0000269300000000 ] - [ -0.0000718800000000, 0.0001761500000000, 0.0005481400000000 ] - [ 0.0005986300000000, -0.0000860200000000, 0.0017856300000000 ] - [ -0.0001056700000000, 0.0001782400000000, 0.0002018400000000 ] - [ 0.0000907900000000, 0.0002069100000000, 0.0003517500000000 ] - [ 0.0001089500000000, 0.0002479700000000, -0.0002064000000000 ] - [ -0.0003829700000000, 0.0003925100000000, -0.0009875300000000 ] - [ 0.0000734600000000, 0.0002110000000000, -0.0000586300000000 ] - [ 0.0000224300000000, 0.0001916200000000, -0.0002434300000000 ] - [ 0.0007206300000000, 0.0030775000000000, -0.0020271100000000 ] - [ -0.0000103800000000, -0.0001858900000000, 0.0000355100000000 ] - [ 0.0007426800000000, -0.0013050000000000, -0.0001942700000000 ] - [ 0.0000056100000000, -0.0002435600000000, 0.0000407600000000 ] - [ -0.0001446100000000, -0.0030652200000000, -0.0020111200000000 ] - [ 0.0000237200000000, -0.0002387200000000, 0.0000355500000000 ] - [ -0.0002396100000000, 0.0005235300000000, -0.0001994300000000 ] - [ 0.0000180200000000, -0.0002102300000000, 0.0000368200000000 ] - [ 0.0003189800000000, -0.0014596400000000, 0.0001088900000000 ] - [ 0.0000046100000000, -0.0000282000000000, -0.0000410200000000 ] - [ 0.0022574700000000, 0.0032752500000000, 0.0005944700000000 ] - [ -0.0000112100000000, 0.0000831400000000, -0.0000285900000000 ] - [ -0.0003515500000000, 0.0008905600000000, 0.0002530300000000 ] - [ 0.0001160700000000, 0.0000424300000000, 0.0000632400000000 ] - [ -0.0008126800000000, -0.0015681600000000, 0.0009925100000000 ] - [ 0.0001111200000000, -0.0000629900000000, 0.0000402500000000 ] - [ 0.0020069700000000, 0.0004810000000000, -0.0064556600000000 ] - [ 0.0001707000000000, -0.0001981200000000, -0.0000512800000000 ] - [ -0.0002061500000000, 0.0000134500000000, -0.0003168000000000 ] - [ 0.0001303900000000, -0.0001401900000000, 0.0000044000000000 ] - [ 0.0019622400000000, 0.0003672900000000, 0.0047887100000000 ] - [ -0.0000155800000000, -0.0001502200000000, 0.0001399700000000 ] - [ -0.0000370000000000, -0.0003257000000000, 0.0005385800000000 ] - [ 0.0000306700000000, -0.0001586100000000, 0.0000403600000000 ] - [ -0.0010615700000000, 0.0000458600000000, -0.0060815500000000 ] - [ -0.0001760900000000, -0.0000246500000000, -0.0004895900000000 ] - [ 0.0009574500000000, 0.0011091500000000, -0.0006728700000000 ] - [ -0.0000386000000000, 0.0000341200000000, -0.0001985200000000 ] - [ -0.0002685600000000, 0.0002268000000000, 0.0011710400000000 ] - [ 0.0002096700000000, 0.0000458600000000, 0.0003999000000000 ] - [ -0.0001856100000000, -0.0000275900000000, 0.0003820300000000 ] - [ 0.0001051900000000, -0.0000403800000000, 0.0001656400000000 ] - [ -0.0006890800000000, -0.0016445200000000, -0.0021083500000000 ] - [ 0.0002472000000000, -0.0000524500000000, -0.0004004200000000 ] - [ -0.0010265200000000, 0.0004596700000000, -0.0016418100000000 ] - [ 0.0003053300000000, 0.0002677000000000, -0.0004106300000000 ] - [ 0.0002685200000000, 0.0006255300000000, 0.0011980600000000 ] - [ -0.0000820400000000, 0.0002645100000000, 0.0003374100000000 ] - [ 0.0002711800000000, -0.0000840600000000, 0.0008865300000000 ] - [ -0.0001125000000000, 0.0001195600000000, 0.0003739200000000 ] - [ -0.0009108600000000, 0.0010770300000000, -0.0184658500000000 ] - [ -0.0002437800000000, -0.0001970500000000, -0.0001582900000000 ] - [ -0.0006296800000000, -0.0002136200000000, -0.0003764400000000 ] - [ -0.0002028600000000, -0.0001989200000000, -0.0001395200000000 ] - [ -0.0025529800000000, -0.0007596400000000, 0.0050480100000000 ] - [ -0.0001268600000000, -0.0001884000000000, -0.0000350400000000 ] - [ -0.0002123200000000, -0.0001863800000000, 0.0000971600000000 ] - [ -0.0001623300000000, -0.0001701100000000, -0.0000396600000000 ] - [ 0.0003438800000000, -0.0042375200000000, -0.0078161600000000 ] - [ 0.0002804800000000, 0.0002471700000000, -0.0002575900000000 ] - [ 0.0005161400000000, -0.0005571100000000, -0.0011406400000000 ] - [ 0.0003009800000000, 0.0002285800000000, -0.0002477600000000 ] - [ -0.0003871000000000, -0.0003856500000000, 0.0014562400000000 ] - [ 0.0003866400000000, 0.0001849500000000, 0.0000115900000000 ] - [ -0.0001901300000000, 0.0004046200000000, 0.0006008400000000 ] - [ 0.0003892100000000, 0.0002334400000000, -0.0000159000000000 ] - [ 0.0007515700000000, 0.0004509700000000, -0.0008166100000000 ] - [ -0.0006454800000000, 0.0004520700000000, -0.0007308000000000 ] - [ -0.0000829200000000, -0.0001208500000000, -0.0001960500000000 ] - [ -0.0005660400000000, 0.0000273900000000, -0.0005896800000000 ] - [ -0.0003731800000000, 0.0000815600000000, 0.0002821600000000 ] - [ 0.0001049900000000, -0.0000419500000000, 0.0004682800000000 ] - [ -0.0003247100000000, 0.0002658000000000, 0.0001281500000000 ] - [ 0.0001251800000000, 0.0003244700000000, 0.0004040300000000 ] - [ -0.0001332200000000, -0.0001162400000000, -0.0002659100000000 ] - [ 0.0042749700000000, -0.0003112200000000, -0.0006166300000000 ] - [ 0.0002678300000000, -0.0002175100000000, -0.0002182500000000 ] - [ 0.0005491600000000, -0.0002360400000000, -0.0002770300000000 ] - [ 0.0006636500000000, -0.0002907200000000, 0.0000484600000000 ] - [ -0.0014115100000000, 0.0000853200000000, 0.0011777400000000 ] - [ 0.0003696100000000, -0.0002120400000000, -0.0000189000000000 ] - [ -0.0000141600000000, -0.0001256500000000, 0.0000629900000000 ] - [ 0.0001493200000000, -0.0000805500000000, 0.0019951200000000 ] - [ -0.0001250500000000, -0.0001254300000000, 0.0000767300000000 ] - [ -0.0000623200000000, 0.0000661300000000, 0.0018064500000000 ] - [ -0.0001036000000000, -0.0001049200000000, 0.0000587500000000 ] - [ 0.0000275700000000, -0.0000118200000000, -0.0008493400000000 ] - [ -0.0000254200000000, -0.0001132700000000, -0.0001182400000000 ] - [ 0.0000535400000000, -0.0003777300000000, -0.0011171500000000 ] - [ -0.0000242300000000, -0.0001236200000000, -0.0001179900000000 ] - [ 0.0039389600000000, -0.0010085900000000, -0.0029804800000000 ] - [ -0.0005609800000000, 0.0000392600000000, -0.0000484300000000 ] - [ 0.0001303500000000, 0.0001866400000000, 0.0000534700000000 ] - [ -0.0001460000000000, 0.0001119400000000, -0.0000197300000000 ] - [ -0.0034065800000000, 0.0011664900000000, -0.0031703700000000 ] - [ 0.0003553900000000, 0.0001592500000000, -0.0000957500000000 ] - [ -0.0000897400000000, 0.0000247600000000, -0.0002203000000000 ] - [ 0.0000675600000000, 0.0001223500000000, -0.0000533100000000 ] - [ -0.0023517200000000, -0.0002404700000000, 0.0054884700000000 ] - [ 0.0001045900000000, -0.0005906700000000, 0.0009264700000000 ] - [ 0.0005811600000000, 0.0003484500000000, 0.0031342000000000 ] - [ 0.0001403400000000, -0.0005573800000000, 0.0009978400000000 ] - [ 0.0006572100000000, -0.0003867000000000, -0.0014826900000000 ] - [ -0.0003288900000000, -0.0004845400000000, -0.0003962500000000 ] - [ 0.0003530800000000, -0.0008400100000000, -0.0012438900000000 ] - [ -0.0003465300000000, -0.0006025700000000, -0.0004735300000000 ] - [ 0.0095727200000000, 0.0044005100000000, -0.0082055000000000 ] - [ -0.0003946700000000, 0.0007119500000000, 0.0001912300000000 ] - [ 0.0002195800000000, -0.0000706800000000, 0.0002472700000000 ] - [ -0.0002029200000000, 0.0005095400000000, 0.0001070700000000 ] - [ -0.0123943500000000, -0.0047577100000000, -0.0078940000000000 ] - [ 0.0001564700000000, 0.0004087100000000, 0.0000527700000000 ] - [ 0.0002000300000000, 0.0013917800000000, -0.0001017500000000 ] - [ -0.0000548600000000, 0.0006069700000000, 0.0001857000000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004097600000000, 0.0009444300000000, -0.0002873100000000 ] - [ -0.0006186100000000, -0.0001396400000000, 0.0000324000000000 ] - [ 0.0001703700000000, -0.0004022100000000, -0.0022153300000000 ] - [ -0.0007980200000000, 0.0004151600000000, 0.0000441700000000 ] - [ 0.0005013900000000, 0.0009957400000000, 0.0003861800000000 ] - [ -0.0005299300000000, -0.0000866200000000, -0.0000790000000000 ] - [ 0.0007230800000000, -0.0002591600000000, 0.0008474700000000 ] - [ -0.0006651500000000, 0.0003813600000000, -0.0000733800000000 ] - [ -0.0012368500000000, 0.0000044000000000, 0.0002104600000000 ] - [ 0.0098788400000000, -0.0000921200000000, 0.0010210100000000 ] - [ -0.0005795400000000, -0.0002555900000000, 0.0000748500000000 ] - [ 0.0001836400000000, 0.0015787300000000, -0.0009215200000000 ] - [ -0.0007107500000000, -0.0001139100000000, -0.0001728800000000 ] - [ 0.0006341700000000, -0.0002852800000000, 0.0003012000000000 ] - [ -0.0003956500000000, -0.0002331600000000, -0.0000749800000000 ] - [ 0.0002915200000000, -0.0002226200000000, 0.0002203600000000 ] - [ -0.0004891600000000, 0.0005741200000000, 0.0000352000000000 ] - [ 0.0005379200000000, -0.0005094900000000, 0.0003532700000000 ] - [ -0.0006686200000000, 0.0000143900000000, 0.0000231800000000 ] - [ 0.0002922000000000, 0.0008302600000000, 0.0022952900000000 ] - [ -0.0003998100000000, 0.0005185900000000, 0.0001489900000000 ] - [ 0.0006308300000000, -0.0005602300000000, -0.0003166900000000 ] - [ -0.0005360200000000, 0.0000479000000000, 0.0001422400000000 ] - [ 0.0008253400000000, 0.0006876700000000, -0.0007856900000000 ] - [ 0.0106910500000000, -0.0007748100000000, -0.0010829200000000 ] - [ -0.0011016200000000, -0.0004354200000000, -0.0001404500000000 ] - [ 0.0003158200000000, -0.0019904300000000, 0.0009888400000000 ] - [ -0.0004536400000000, -0.0001798000000000, -0.0000049500000000 ] - [ 0.0007681800000000, -0.0001505400000000, -0.0002345400000000 ] - [ -0.0005813300000000, -0.0003189200000000, 0.0002409500000000 ] - [ 0.0004220800000000, -0.0002064500000000, -0.0001528400000000 ] - [ -0.0002665200000000, -0.0002007000000000, 0.0001436600000000 ] - [ -0.0676709700000000, 0.0009963500000000, 0.0000042400000000 ] - [ 0.0012021400000000, 0.0000053400000000, -0.0000038000000000 ] - [ -0.0020353500000000, -0.0000042400000000, -0.0000049000000000 ] - [ 0.0007170100000000, 0.0000053000000000, -0.0000039900000000 ] - [ -0.0010208100000000, 0.0000106100000000, -0.0000027500000000 ] - [ 0.0008391000000000, 0.0000072700000000, -0.0000037500000000 ] - [ -0.0006591600000000, 0.0000012600000000, -0.0000023700000000 ] - [ 0.0005440000000000, 0.0000026100000000, -0.0000035100000000 ] - [ -0.0010287500000000, -0.0001615400000000, 0.0000118700000000 ] - [ 0.0007361900000000, -0.0001605100000000, 0.0000087400000000 ] - [ -0.0017605200000000, -0.0001601100000000, 0.0000054000000000 ] - [ 0.0008156300000000, -0.0001590900000000, 0.0000095300000000 ] - [ -0.0015562300000000, -0.0001635500000000, 0.0000042500000000 ] - [ 0.0007394000000000, -0.0001618400000000, 0.0000093700000000 ] - [ -0.0094141000000000, -0.0002013300000000, 0.0000446900000000 ] - [ 0.0008148500000000, -0.0001575700000000, 0.0000063300000000 ] - [ 0.0001803600000000, -0.0001220300000000, 0.0002125800000000 ] - [ 0.0001785000000000, 0.0001067600000000, -0.0002195600000000 ] - [ 0.0007988400000000, 0.0005208400000000, 0.0010411500000000 ] - [ 0.0008011000000000, -0.0005214400000000, -0.0010442400000000 ] - [ 0.0001794600000000, -0.0003341600000000, -0.0001666400000000 ] - [ 0.0001844800000000, 0.0003187900000000, 0.0001588500000000 ] - [ 0.0007947300000000, 0.0006309400000000, -0.0007729200000000 ] - [ 0.0007973200000000, -0.0006281800000000, 0.0007636700000000 ] - [ 0.0040169300000000, -0.0007257100000000, 0.0019748400000000 ] - [ 0.0039820600000000, 0.0010401700000000, -0.0019409500000000 ] - [ 0.0007569400000000, 0.0007512700000000, 0.0003083800000000 ] - [ 0.0007642800000000, -0.0004360600000000, -0.0002902400000000 ] - [ 0.0005883800000000, 0.0002923300000000, -0.0008583100000000 ] - [ 0.0005851700000000, 0.0000331800000000, 0.0008752300000000 ] - [ 0.0001015100000000, 0.0001125800000000, -0.0001283800000000 ] - [ 0.0001027600000000, 0.0002059300000000, 0.0001451100000000 ] - [ -0.0024148000000000, -0.0035028300000000, -0.0003627500000000 ] - [ 0.0009332600000000, 0.0002607800000000, 0.0001098500000000 ] - [ -0.0022206800000000, 0.0172638100000000, -0.0000962600000000 ] - [ 0.0010581900000000, -0.0001609800000000, 0.0001279100000000 ] - [ -0.0013004100000000, -0.0007020000000000, -0.0003263300000000 ] - [ 0.0005617600000000, 0.0001159100000000, -0.0000017600000000 ] - [ -0.0012225300000000, -0.0003100600000000, -0.0002384700000000 ] - [ 0.0006030100000000, -0.0001384400000000, 0.0000421600000000 ] - [ 0.0006364800000000, -0.0005326400000000, 0.0019135900000000 ] - [ 0.0017046900000000, 0.0007099000000000, -0.0011026500000000 ] - [ 0.0002825800000000, 0.0007348800000000, 0.0006820300000000 ] - [ 0.0008874200000000, 0.0002343500000000, -0.0003656500000000 ] - [ 0.0032809600000000, -0.0010922700000000, -0.0042632000000000 ] - [ 0.0017562000000000, 0.0004282400000000, -0.0000268600000000 ] - [ 0.0001371700000000, 0.0005296700000000, -0.0007094500000000 ] - [ 0.0007297000000000, 0.0001831600000000, -0.0000578300000000 ] - [ 0.0011750600000000, -0.0002957000000000, 0.0008864400000000 ] - [ 0.0001042800000000, 0.0009487800000000, -0.0021234600000000 ] - [ 0.0003533000000000, 0.0001816100000000, 0.0001431600000000 ] - [ -0.0002466100000000, -0.0003220300000000, -0.0009069800000000 ] - [ 0.0012295300000000, -0.0000110700000000, -0.0001973800000000 ] - [ 0.0027387700000000, 0.0014937100000000, 0.0040108600000000 ] - [ 0.0001938100000000, 0.0002340300000000, -0.0001667100000000 ] - [ -0.0003809000000000, -0.0001247700000000, 0.0004908300000000 ] - [ 0.0014642500000000, -0.0006799400000000, -0.0003304600000000 ] - [ -0.0018831100000000, 0.0030677100000000, 0.0001410100000000 ] - [ 0.0015896200000000, -0.0002519400000000, -0.0003502200000000 ] - [ -0.0016461500000000, -0.0175619400000000, -0.0000982400000000 ] - [ 0.0010956300000000, -0.0005338500000000, -0.0002235200000000 ] - [ -0.0007676000000000, 0.0002823900000000, 0.0001073100000000 ] - [ 0.0011306300000000, -0.0002735100000000, -0.0002634600000000 ] - [ -0.0006873400000000, -0.0001029700000000, 0.0000252400000000 ] - [ 0.0040824100000000, -0.0001208100000000, -0.0000568000000000 ] - [ -0.0009643800000000, -0.0001174700000000, -0.0000334400000000 ] - [ 0.0011278000000000, -0.0001151900000000, -0.0000326900000000 ] - [ -0.0005100400000000, -0.0001172500000000, -0.0000342800000000 ] - [ 0.0033708800000000, -0.0001267000000000, -0.0000373300000000 ] - [ -0.0007831300000000, -0.0001179400000000, -0.0000339900000000 ] - [ 0.0005260700000000, -0.0001092500000000, -0.0000353800000000 ] - [ -0.0004173700000000, -0.0001169500000000, -0.0000331200000000 ] - [ -0.0003215100000000, 0.0006361600000000, 0.0000274700000000 ] - [ -0.0003198200000000, -0.0003957100000000, -0.0000944500000000 ] - [ -0.0023204700000000, -0.0008847900000000, 0.0003369000000000 ] - [ -0.0023181700000000, 0.0011005200000000, -0.0004051700000000 ] - [ -0.0000621900000000, 0.0003421500000000, -0.0001388900000000 ] - [ -0.0000629800000000, -0.0001044800000000, 0.0000710200000000 ] - [ -0.0000193600000000, -0.0001844000000000, -0.0001858300000000 ] - [ -0.0000225900000000, 0.0004150600000000, 0.0001166500000000 ] - [ -0.0027538600000000, -0.0004891900000000, -0.0040045400000000 ] - [ -0.0027415700000000, -0.0006590900000000, 0.0043311800000000 ] - [ -0.0007796700000000, -0.0008697900000000, -0.0006271600000000 ] - [ -0.0007853300000000, -0.0002626200000000, 0.0009949200000000 ] - [ -0.0033217500000000, -0.0017706400000000, 0.0020442500000000 ] - [ -0.0033129400000000, 0.0006186400000000, -0.0016718000000000 ] - [ -0.0004254100000000, -0.0005056400000000, 0.0005083400000000 ] - [ -0.0004380300000000, -0.0006259100000000, -0.0001464800000000 ] - [ 0.0019040100000000, 0.0005743100000000, 0.0001809800000000 ] - [ -0.0014776700000000, 0.0005736600000000, 0.0001827800000000 ] - [ 0.0014541200000000, 0.0005626200000000, 0.0001780300000000 ] - [ -0.0016011500000000, 0.0005675700000000, 0.0001815200000000 ] - [ 0.0058061800000000, 0.0005930600000000, 0.0001864900000000 ] - [ -0.0019367000000000, 0.0005718500000000, 0.0001836400000000 ] - [ 0.0474508800000000, -0.0000206000000000, 0.0002887500000000 ] - [ -0.0022227200000000, 0.0005670200000000, 0.0001844600000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008681700000000, -0.0007604700000000, 0.0014856000000000 ] - [ -0.0001287800000000, -0.0000289000000000, 0.0000637000000000 ] - [ -0.0011804700000000, 0.0008462500000000, -0.0032361700000000 ] - [ 0.0000672400000000, 0.0004011700000000, -0.0000462300000000 ] - [ 0.0007561200000000, -0.0004359800000000, -0.0008476100000000 ] - [ -0.0001143400000000, -0.0000252300000000, -0.0000120300000000 ] - [ -0.0030445100000000, 0.0002111100000000, 0.0016028600000000 ] - [ 0.0000135000000000, 0.0003725600000000, 0.0001029400000000 ] - [ 0.0003054600000000, -0.0002121600000000, 0.0000178600000000 ] - [ -0.0004214600000000, 0.0050423600000000, 0.0000591900000000 ] - [ -0.0004210900000000, -0.0002767700000000, 0.0000730000000000 ] - [ 0.0003145300000000, -0.0045989000000000, 0.0011481900000000 ] - [ 0.0001240000000000, -0.0002284700000000, 0.0000829100000000 ] - [ 0.0001911400000000, 0.0001470800000000, 0.0002620600000000 ] - [ -0.0002217800000000, -0.0002167300000000, -0.0000080700000000 ] - [ -0.0001115800000000, -0.0007291600000000, 0.0000056600000000 ] - [ 0.0001287800000000, -0.0000289000000000, 0.0000637000000000 ] - [ -0.0008681700000000, -0.0007604700000000, 0.0014856000000000 ] - [ -0.0000672400000000, 0.0004011700000000, -0.0000462300000000 ] - [ 0.0011804700000000, 0.0008462500000000, -0.0032361700000000 ] - [ 0.0001143400000000, -0.0000252300000000, -0.0000120300000000 ] - [ -0.0007561200000000, -0.0004359800000000, -0.0008476100000000 ] - [ -0.0000135000000000, 0.0003725600000000, 0.0001029400000000 ] - [ 0.0030445100000000, 0.0002111100000000, 0.0016028600000000 ] - [ 0.0004214600000000, 0.0050423600000000, 0.0000591900000000 ] - [ -0.0003054600000000, -0.0002121600000000, 0.0000178600000000 ] - [ -0.0003145300000000, -0.0045989000000000, 0.0011481900000000 ] - [ 0.0004210900000000, -0.0002767700000000, 0.0000730000000000 ] - [ -0.0001911400000000, 0.0001470800000000, 0.0002620600000000 ] - [ -0.0001240000000000, -0.0002284700000000, 0.0000829100000000 ] - [ 0.0001115800000000, -0.0007291600000000, 0.0000056600000000 ] - [ 0.0002217800000000, -0.0002167300000000, -0.0000080700000000 ] - [ 0.0000000000000000, -0.2919680000000000, 0.0483464800000000 ] - [ 0.0000000000000000, -0.0004876400000000, -0.0000031100000000 ] - [ 0.0000000000000000, 0.0063510000000000, -0.0003020600000000 ] - [ 0.0000000000000000, 0.0004161600000000, -0.0000283200000000 ] - [ 0.0000000000000000, -0.0019613400000000, -0.0000758700000000 ] - [ 0.0000000000000000, -0.0003148000000000, 0.0000101100000000 ] - [ 0.0000000000000000, 0.0014635000000000, -0.0002806800000000 ] - [ 0.0000000000000000, 0.0002853800000000, -0.0000123500000000 ] - [ 0.0000000000000000, 0.0009188300000000, -0.0013669100000000 ] - [ 0.0000000000000000, 0.0000523300000000, -0.0000155600000000 ] - [ 0.0000000000000000, -0.0014794000000000, 0.0017295900000000 ] - [ 0.0000000000000000, -0.0003718000000000, 0.0000520200000000 ] - [ 0.0000000000000000, 0.0030543200000000, 0.0014675300000000 ] - [ 0.0000000000000000, 0.0000907200000000, 0.0000206800000000 ] - [ 0.0000000000000000, 0.0057816800000000, -0.0139416400000000 ] - [ 0.0000000000000000, -0.0004128700000000, -0.0000693300000000 ] - [ -0.0003217600000000, 0.0013890300000000, -0.0000475300000000 ] - [ 0.0003217600000000, 0.0013890300000000, -0.0000475300000000 ] - [ 0.0006251200000000, -0.0019547000000000, 0.0003529700000000 ] - [ -0.0006251200000000, -0.0019547000000000, 0.0003529700000000 ] - [ -0.0001157800000000, 0.0013876300000000, 0.0002229000000000 ] - [ 0.0001157800000000, 0.0013876300000000, 0.0002229000000000 ] - [ 0.0005200700000000, -0.0019557200000000, -0.0004231100000000 ] - [ -0.0005200700000000, -0.0019557200000000, -0.0004231100000000 ] - [ -0.0019673800000000, -0.0012580000000000, -0.0007548500000000 ] - [ 0.0019673800000000, -0.0012580000000000, -0.0007548500000000 ] - [ 0.0010705500000000, 0.0019687600000000, 0.0005627400000000 ] - [ -0.0010705500000000, 0.0019687600000000, 0.0005627400000000 ] - [ -0.0005610500000000, -0.0005606500000000, 0.0006406800000000 ] - [ 0.0005610500000000, -0.0005606500000000, 0.0006406800000000 ] - [ 0.0004041900000000, 0.0005985700000000, -0.0002095400000000 ] - [ -0.0004041900000000, 0.0005985700000000, -0.0002095400000000 ] - [ -0.0024273100000000, 0.0079578000000000, -0.0001932100000000 ] - [ -0.0000711200000000, 0.0001101200000000, -0.0000906900000000 ] - [ 0.0109695700000000, 0.0143987800000000, 0.0019298600000000 ] - [ -0.0005835900000000, -0.0005138500000000, -0.0001408600000000 ] - [ -0.0003652200000000, 0.0001509400000000, -0.0000042000000000 ] - [ -0.0001796600000000, 0.0000079700000000, -0.0000874200000000 ] - [ 0.0003216200000000, -0.0004875900000000, -0.0010587300000000 ] - [ -0.0003675500000000, -0.0004005000000000, -0.0001336700000000 ] - [ -0.0017332100000000, -0.0006050000000000, -0.0016840300000000 ] - [ 0.0008948800000000, 0.0000174900000000, -0.0003826500000000 ] - [ 0.0011168000000000, 0.0015572800000000, 0.0008021800000000 ] - [ -0.0001372100000000, 0.0003418100000000, 0.0001151100000000 ] - [ -0.0034675800000000, -0.0012917400000000, 0.0031533000000000 ] - [ 0.0011789000000000, -0.0001165100000000, -0.0000404700000000 ] - [ 0.0017418900000000, 0.0022166500000000, -0.0012146100000000 ] - [ -0.0002219400000000, 0.0004206100000000, -0.0002425100000000 ] - [ -0.0008948800000000, 0.0000174900000000, -0.0003826500000000 ] - [ 0.0017332100000000, -0.0006050000000000, -0.0016840300000000 ] - [ 0.0001372100000000, 0.0003418100000000, 0.0001151100000000 ] - [ -0.0011168000000000, 0.0015572800000000, 0.0008021800000000 ] - [ -0.0011789000000000, -0.0001165100000000, -0.0000404700000000 ] - [ 0.0034675800000000, -0.0012917400000000, 0.0031533000000000 ] - [ 0.0002219400000000, 0.0004206100000000, -0.0002425100000000 ] - [ -0.0017418900000000, 0.0022166500000000, -0.0012146100000000 ] - [ 0.0000711200000000, 0.0001101200000000, -0.0000906900000000 ] - [ 0.0024273100000000, 0.0079578000000000, -0.0001932100000000 ] - [ 0.0005835900000000, -0.0005138500000000, -0.0001408600000000 ] - [ -0.0109695700000000, 0.0143987800000000, 0.0019298600000000 ] - [ 0.0001796600000000, 0.0000079700000000, -0.0000874200000000 ] - [ 0.0003652200000000, 0.0001509400000000, -0.0000042000000000 ] - [ 0.0003675500000000, -0.0004005000000000, -0.0001336700000000 ] - [ -0.0003216200000000, -0.0004875900000000, -0.0010587300000000 ] - [ 0.0000000000000000, 0.0030900000000000, 0.0003637300000000 ] - [ 0.0000000000000000, -0.0000079800000000, -0.0000331900000000 ] - [ 0.0000000000000000, -0.0020233000000000, -0.0006771100000000 ] - [ 0.0000000000000000, -0.0002174100000000, -0.0000490000000000 ] - [ 0.0000000000000000, 0.0033412900000000, -0.0040504800000000 ] - [ 0.0000000000000000, 0.0000003600000000, -0.0000642600000000 ] - [ 0.0000000000000000, -0.0025279300000000, 0.0002807600000000 ] - [ 0.0000000000000000, -0.0002149000000000, -0.0000078300000000 ] - [ 0.0010178700000000, -0.0007203200000000, -0.0001003900000000 ] - [ -0.0010178700000000, -0.0007203200000000, -0.0001003900000000 ] - [ -0.0021878400000000, 0.0015340300000000, 0.0003086900000000 ] - [ 0.0021878400000000, 0.0015340300000000, 0.0003086900000000 ] - [ 0.0001612300000000, -0.0002558700000000, -0.0000201200000000 ] - [ -0.0001612300000000, -0.0002558700000000, -0.0000201200000000 ] - [ -0.0003314000000000, 0.0004968500000000, -0.0000174100000000 ] - [ 0.0003314000000000, 0.0004968500000000, -0.0000174100000000 ] - [ 0.0022043900000000, 0.0025077200000000, 0.0012972200000000 ] - [ -0.0022043900000000, 0.0025077200000000, 0.0012972200000000 ] - [ -0.0012021700000000, -0.0027698600000000, -0.0008273700000000 ] - [ 0.0012021700000000, -0.0027698600000000, -0.0008273700000000 ] - [ 0.0024173400000000, 0.0029658800000000, -0.0007291300000000 ] - [ -0.0024173400000000, 0.0029658800000000, -0.0007291300000000 ] - [ -0.0015255500000000, -0.0024257600000000, 0.0007382200000000 ] - [ 0.0015255500000000, -0.0024257600000000, 0.0007382200000000 ] - [ 0.0000000000000000, -0.0009880300000000, 0.0010298600000000 ] - [ 0.0000000000000000, 0.0000990900000000, 0.0001765500000000 ] - [ 0.0000000000000000, 0.0031032000000000, 0.0006972000000000 ] - [ 0.0000000000000000, 0.0011001700000000, 0.0001686600000000 ] - [ 0.0000000000000000, -0.0124610400000000, -0.0016969400000000 ] - [ 0.0000000000000000, -0.0001089400000000, 0.0001231100000000 ] - [ 0.0000000000000000, 0.2365288200000000, -0.0371030300000000 ] - [ 0.0000000000000000, 0.0014293100000000, 0.0003608400000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009993200000000, 0.0011862500000000, -0.0014206900000000 ] - [ 0.0000005000000000, 0.0004532500000000, 0.0000052500000000 ] - [ 0.0010535800000000, -0.0003979200000000, 0.0032836000000000 ] - [ -0.0001962100000000, 0.0000317400000000, 0.0001139000000000 ] - [ -0.0008882500000000, 0.0008578800000000, 0.0009189100000000 ] - [ -0.0000137800000000, 0.0004515300000000, 0.0000812000000000 ] - [ 0.0029042700000000, 0.0002211400000000, -0.0015284200000000 ] - [ -0.0001424800000000, 0.0000582700000000, -0.0000336600000000 ] - [ -0.0004299700000000, -0.0002182500000000, 0.0000508600000000 ] - [ 0.0000265700000000, -0.0056072000000000, -0.0000267100000000 ] - [ 0.0002889300000000, -0.0001519900000000, -0.0000020800000000 ] - [ -0.0004446900000000, 0.0041494100000000, -0.0010699400000000 ] - [ -0.0002505700000000, -0.0002015000000000, -0.0000125200000000 ] - [ -0.0003182300000000, -0.0005763600000000, -0.0001895000000000 ] - [ 0.0000914400000000, -0.0002121500000000, 0.0000769400000000 ] - [ -0.0000180900000000, 0.0002986900000000, 0.0000622700000000 ] - [ -0.0000005000000000, 0.0004532500000000, 0.0000052500000000 ] - [ 0.0009993200000000, 0.0011862500000000, -0.0014206900000000 ] - [ 0.0001962100000000, 0.0000317400000000, 0.0001139000000000 ] - [ -0.0010535800000000, -0.0003979200000000, 0.0032836000000000 ] - [ 0.0000137800000000, 0.0004515300000000, 0.0000812000000000 ] - [ 0.0008882500000000, 0.0008578800000000, 0.0009189100000000 ] - [ 0.0001424800000000, 0.0000582700000000, -0.0000336600000000 ] - [ -0.0029042700000000, 0.0002211400000000, -0.0015284200000000 ] - [ -0.0000265700000000, -0.0056072000000000, -0.0000267100000000 ] - [ 0.0004299700000000, -0.0002182500000000, 0.0000508600000000 ] - [ 0.0004446900000000, 0.0041494100000000, -0.0010699400000000 ] - [ -0.0002889300000000, -0.0001519900000000, -0.0000020800000000 ] - [ 0.0003182300000000, -0.0005763600000000, -0.0001895000000000 ] - [ 0.0002505700000000, -0.0002015000000000, -0.0000125200000000 ] - [ 0.0000180900000000, 0.0002986900000000, 0.0000622700000000 ] - [ -0.0000914400000000, -0.0002121500000000, 0.0000769400000000 ] - [ 0.0000000000000000, 0.2775953100000000, -0.0451321400000000 ] - [ 0.0000000000000000, 0.0004974800000000, -0.0000044000000000 ] - [ 0.0000000000000000, -0.0063235500000000, 0.0002925100000000 ] - [ 0.0000000000000000, -0.0003990600000000, 0.0000192800000000 ] - [ 0.0000000000000000, 0.0019676500000000, 0.0000653000000000 ] - [ 0.0000000000000000, 0.0003263600000000, -0.0000175300000000 ] - [ 0.0000000000000000, -0.0014440200000000, 0.0002724400000000 ] - [ 0.0000000000000000, -0.0002715900000000, 0.0000048200000000 ] - [ 0.0000000000000000, -0.0012333000000000, 0.0013854800000000 ] - [ 0.0000000000000000, -0.0003694400000000, 0.0000321100000000 ] - [ 0.0000000000000000, 0.0011402000000000, -0.0017283100000000 ] - [ 0.0000000000000000, 0.0000504600000000, -0.0000351800000000 ] - [ 0.0000000000000000, -0.0033765200000000, -0.0014619600000000 ] - [ 0.0000000000000000, -0.0004082500000000, -0.0000058700000000 ] - [ 0.0000000000000000, -0.0060084200000000, 0.0136356400000000 ] - [ 0.0000000000000000, 0.0000910700000000, 0.0000847400000000 ] - [ 0.0003246500000000, -0.0013871700000000, 0.0000430800000000 ] - [ -0.0003246500000000, -0.0013871700000000, 0.0000430800000000 ] - [ -0.0006264400000000, 0.0019305000000000, -0.0003600400000000 ] - [ 0.0006264400000000, 0.0019305000000000, -0.0003600400000000 ] - [ 0.0001171900000000, -0.0013918300000000, -0.0002322300000000 ] - [ -0.0001171900000000, -0.0013918300000000, -0.0002322300000000 ] - [ -0.0005198200000000, 0.0019308000000000, 0.0004153700000000 ] - [ 0.0005198200000000, 0.0019308000000000, 0.0004153700000000 ] - [ 0.0019402600000000, 0.0015817800000000, 0.0007609600000000 ] - [ -0.0019402600000000, 0.0015817800000000, 0.0007609600000000 ] - [ -0.0010595500000000, -0.0016358400000000, -0.0005439400000000 ] - [ 0.0010595500000000, -0.0016358400000000, -0.0005439400000000 ] - [ 0.0005582800000000, 0.0008786300000000, -0.0006174000000000 ] - [ -0.0005582800000000, 0.0008786300000000, -0.0006174000000000 ] - [ -0.0003986100000000, -0.0002752400000000, 0.0002276900000000 ] - [ 0.0003986100000000, -0.0002752400000000, 0.0002276900000000 ] - [ 0.0019295300000000, -0.0084113000000000, -0.0000187600000000 ] - [ -0.0004635100000000, -0.0005248700000000, -0.0001292200000000 ] - [ -0.0111836800000000, -0.0144611500000000, -0.0020701300000000 ] - [ 0.0000463400000000, 0.0000931600000000, -0.0000808100000000 ] - [ -0.0001681400000000, -0.0005654600000000, -0.0002128500000000 ] - [ -0.0003559600000000, -0.0004251400000000, -0.0001322300000000 ] - [ -0.0008564700000000, 0.0000662100000000, 0.0008246300000000 ] - [ -0.0001678300000000, -0.0000162900000000, -0.0000894300000000 ] - [ 0.0022566500000000, 0.0010295000000000, 0.0014493500000000 ] - [ -0.0003538000000000, 0.0003979800000000, 0.0001530700000000 ] - [ -0.0005793400000000, -0.0011372200000000, -0.0010147400000000 ] - [ 0.0006648500000000, 0.0000733100000000, -0.0003314800000000 ] - [ 0.0039715100000000, 0.0017219100000000, -0.0033455000000000 ] - [ -0.0006368400000000, 0.0005313100000000, -0.0001822400000000 ] - [ -0.0011946700000000, -0.0017875000000000, 0.0009833800000000 ] - [ 0.0007553200000000, 0.0000002700000000, 0.0000173200000000 ] - [ 0.0003538000000000, 0.0003979800000000, 0.0001530700000000 ] - [ -0.0022566500000000, 0.0010295000000000, 0.0014493500000000 ] - [ -0.0006648500000000, 0.0000733100000000, -0.0003314800000000 ] - [ 0.0005793400000000, -0.0011372200000000, -0.0010147400000000 ] - [ 0.0006368400000000, 0.0005313100000000, -0.0001822400000000 ] - [ -0.0039715100000000, 0.0017219100000000, -0.0033455000000000 ] - [ -0.0007553200000000, 0.0000002700000000, 0.0000173200000000 ] - [ 0.0011946700000000, -0.0017875000000000, 0.0009833800000000 ] - [ 0.0004635100000000, -0.0005248700000000, -0.0001292200000000 ] - [ -0.0019295300000000, -0.0084113000000000, -0.0000187600000000 ] - [ -0.0000463400000000, 0.0000931600000000, -0.0000808100000000 ] - [ 0.0111836800000000, -0.0144611500000000, -0.0020701300000000 ] - [ 0.0003559600000000, -0.0004251400000000, -0.0001322300000000 ] - [ 0.0001681400000000, -0.0005654600000000, -0.0002128500000000 ] - [ 0.0001678300000000, -0.0000162900000000, -0.0000894300000000 ] - [ 0.0008564700000000, 0.0000662100000000, 0.0008246300000000 ] - [ 0.0000000000000000, -0.0033184800000000, -0.0004105200000000 ] - [ 0.0000000000000000, -0.0002267500000000, -0.0000322500000000 ] - [ 0.0000000000000000, 0.0017806700000000, 0.0006014200000000 ] - [ 0.0000000000000000, -0.0000176900000000, -0.0000161400000000 ] - [ 0.0000000000000000, -0.0035933700000000, 0.0039325300000000 ] - [ 0.0000000000000000, -0.0002348100000000, -0.0000016600000000 ] - [ 0.0000000000000000, 0.0022889100000000, -0.0003426300000000 ] - [ 0.0000000000000000, -0.0000201900000000, -0.0000570700000000 ] - [ -0.0010191100000000, 0.0009498200000000, 0.0000351400000000 ] - [ 0.0010191100000000, 0.0009498200000000, 0.0000351400000000 ] - [ 0.0021828600000000, -0.0012787900000000, -0.0003717900000000 ] - [ -0.0021828600000000, -0.0012787900000000, -0.0003717900000000 ] - [ -0.0001613700000000, 0.0004874500000000, -0.0000455300000000 ] - [ 0.0001613700000000, 0.0004874500000000, -0.0000455300000000 ] - [ 0.0003311400000000, -0.0002588000000000, -0.0000490200000000 ] - [ -0.0003311400000000, -0.0002588000000000, -0.0000490200000000 ] - [ -0.0021815300000000, -0.0036361100000000, -0.0009118400000000 ] - [ 0.0021815300000000, -0.0036361100000000, -0.0009118400000000 ] - [ 0.0011887100000000, 0.0016148400000000, 0.0011786900000000 ] - [ -0.0011887100000000, 0.0016148400000000, 0.0011786900000000 ] - [ -0.0023899200000000, -0.0040866100000000, 0.0010779000000000 ] - [ 0.0023899200000000, -0.0040866100000000, 0.0010779000000000 ] - [ 0.0015133800000000, 0.0012742400000000, -0.0003695700000000 ] - [ -0.0015133800000000, 0.0012742400000000, -0.0003695700000000 ] - [ 0.0000000000000000, 0.0021223100000000, -0.0006672100000000 ] - [ 0.0000000000000000, 0.0010418300000000, 0.0001847400000000 ] - [ 0.0000000000000000, -0.0019462000000000, -0.0003085600000000 ] - [ 0.0000000000000000, 0.0000484900000000, 0.0001937500000000 ] - [ 0.0000000000000000, 0.0136137000000000, 0.0020488100000000 ] - [ 0.0000000000000000, 0.0012490300000000, 0.0002409000000000 ] - [ 0.0000000000000000, -0.2215940900000000, 0.0344882300000000 ] - [ 0.0000000000000000, -0.0002781100000000, 0.0000041900000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003256900000000, 0.0011091200000000, -0.0000745400000000 ] - [ 0.0000893700000000, 0.0003780200000000, 0.0000733800000000 ] - [ -0.0009189300000000, -0.0011906600000000, -0.0005497600000000 ] - [ 0.0001771300000000, 0.0000849800000000, 0.0000615900000000 ] - [ -0.0000710100000000, -0.0004863800000000, -0.0002177500000000 ] - [ -0.0002399600000000, 0.0000522800000000, -0.0000297400000000 ] - [ 0.0026042000000000, 0.0009290100000000, -0.0009527100000000 ] - [ -0.0003214700000000, 0.0003226700000000, -0.0000047500000000 ] - [ -0.0002324400000000, -0.0001474000000000, 0.0005234500000000 ] - [ 0.0011599200000000, 0.0001874900000000, 0.0061183100000000 ] - [ -0.0001116100000000, -0.0002172900000000, 0.0002301100000000 ] - [ -0.0003228300000000, -0.0004567100000000, 0.0006944700000000 ] - [ 0.0000215800000000, -0.0002656900000000, -0.0003657200000000 ] - [ 0.0000038500000000, -0.0002724000000000, -0.0011391900000000 ] - [ -0.0000257400000000, -0.0002230900000000, -0.0001312500000000 ] - [ -0.0000288800000000, -0.0001594300000000, -0.0003464300000000 ] - [ -0.0000893700000000, 0.0003780200000000, 0.0000733800000000 ] - [ 0.0003256900000000, 0.0011091200000000, -0.0000745400000000 ] - [ -0.0001771300000000, 0.0000849800000000, 0.0000615900000000 ] - [ 0.0009189300000000, -0.0011906600000000, -0.0005497600000000 ] - [ 0.0002399600000000, 0.0000522800000000, -0.0000297400000000 ] - [ 0.0000710100000000, -0.0004863800000000, -0.0002177500000000 ] - [ 0.0003214700000000, 0.0003226700000000, -0.0000047500000000 ] - [ -0.0026042000000000, 0.0009290100000000, -0.0009527100000000 ] - [ -0.0011599200000000, 0.0001874900000000, 0.0061183100000000 ] - [ 0.0002324400000000, -0.0001474000000000, 0.0005234500000000 ] - [ 0.0003228300000000, -0.0004567100000000, 0.0006944700000000 ] - [ 0.0001116100000000, -0.0002172900000000, 0.0002301100000000 ] - [ -0.0000038500000000, -0.0002724000000000, -0.0011391900000000 ] - [ -0.0000215800000000, -0.0002656900000000, -0.0003657200000000 ] - [ 0.0000288800000000, -0.0001594300000000, -0.0003464300000000 ] - [ 0.0000257400000000, -0.0002230900000000, -0.0001312500000000 ] - [ 0.0000000000000000, 0.0469910300000000, -0.0662558800000000 ] - [ 0.0000000000000000, 0.0000048200000000, -0.0003178800000000 ] - [ 0.0000000000000000, -0.0002994400000000, -0.0007139200000000 ] - [ 0.0000000000000000, -0.0000224300000000, -0.0001628800000000 ] - [ 0.0000000000000000, -0.0000623800000000, 0.0024041000000000 ] - [ 0.0000000000000000, 0.0000162200000000, 0.0002803300000000 ] - [ 0.0000000000000000, -0.0002724100000000, 0.0005880800000000 ] - [ 0.0000000000000000, -0.0000017300000000, 0.0001448600000000 ] - [ 0.0000000000000000, -0.0008901500000000, 0.0010124400000000 ] - [ 0.0000000000000000, -0.0002622000000000, 0.0002333500000000 ] - [ 0.0000000000000000, 0.0016331500000000, 0.0047090900000000 ] - [ 0.0000000000000000, -0.0001087200000000, 0.0002781800000000 ] - [ 0.0000000000000000, 0.0008635400000000, -0.0010943000000000 ] - [ 0.0000000000000000, -0.0000642600000000, -0.0002401100000000 ] - [ 0.0000000000000000, -0.0205193400000000, 0.0077807000000000 ] - [ 0.0000000000000000, -0.0001960900000000, -0.0002910400000000 ] - [ 0.0001635500000000, -0.0002345300000000, 0.0000395400000000 ] - [ -0.0001635500000000, -0.0002345300000000, 0.0000395400000000 ] - [ 0.0007696000000000, 0.0004201600000000, 0.0001731400000000 ] - [ -0.0007696000000000, 0.0004201600000000, 0.0001731400000000 ] - [ -0.0002176000000000, 0.0000420600000000, 0.0000417200000000 ] - [ 0.0002176000000000, 0.0000420600000000, 0.0000417200000000 ] - [ -0.0010421700000000, -0.0003562000000000, 0.0001785800000000 ] - [ 0.0010421700000000, -0.0003562000000000, 0.0001785800000000 ] - [ 0.0012858100000000, -0.0000650400000000, -0.0009949100000000 ] - [ -0.0012858100000000, -0.0000650400000000, -0.0009949100000000 ] - [ 0.0002136300000000, 0.0002898800000000, -0.0001482400000000 ] - [ -0.0002136300000000, 0.0002898800000000, -0.0001482400000000 ] - [ -0.0004630700000000, 0.0000510400000000, 0.0014730600000000 ] - [ 0.0004630700000000, 0.0000510400000000, 0.0014730600000000 ] - [ -0.0001193700000000, 0.0001304000000000, 0.0003951400000000 ] - [ 0.0001193700000000, 0.0001304000000000, 0.0003951400000000 ] - [ -0.0000509000000000, -0.0016125000000000, -0.0016589000000000 ] - [ -0.0003759900000000, -0.0002856200000000, -0.0003663400000000 ] - [ 0.0010517400000000, 0.0055073000000000, -0.0081546000000000 ] - [ -0.0003956500000000, -0.0001832000000000, -0.0003647900000000 ] - [ -0.0001318800000000, -0.0000961300000000, 0.0006541000000000 ] - [ -0.0001926100000000, -0.0001659800000000, 0.0001329500000000 ] - [ 0.0000273600000000, -0.0000382200000000, 0.0023874300000000 ] - [ -0.0001554000000000, -0.0002105300000000, 0.0001451400000000 ] - [ 0.0029640800000000, -0.0003557000000000, 0.0013957500000000 ] - [ -0.0006410500000000, 0.0000667600000000, 0.0001372800000000 ] - [ 0.0004190700000000, 0.0003593000000000, 0.0000212000000000 ] - [ 0.0000979800000000, 0.0001990000000000, -0.0000020900000000 ] - [ -0.0043106700000000, 0.0013939100000000, 0.0023161800000000 ] - [ 0.0014213200000000, 0.0002980100000000, -0.0003412800000000 ] - [ -0.0006638000000000, -0.0004585400000000, -0.0002431600000000 ] - [ 0.0006180100000000, 0.0002240100000000, -0.0001880400000000 ] - [ 0.0006410500000000, 0.0000667600000000, 0.0001372800000000 ] - [ -0.0029640800000000, -0.0003557000000000, 0.0013957500000000 ] - [ -0.0000979800000000, 0.0001990000000000, -0.0000020900000000 ] - [ -0.0004190700000000, 0.0003593000000000, 0.0000212000000000 ] - [ -0.0014213200000000, 0.0002980100000000, -0.0003412800000000 ] - [ 0.0043106700000000, 0.0013939100000000, 0.0023161800000000 ] - [ -0.0006180100000000, 0.0002240100000000, -0.0001880400000000 ] - [ 0.0006638000000000, -0.0004585400000000, -0.0002431600000000 ] - [ 0.0003759900000000, -0.0002856200000000, -0.0003663400000000 ] - [ 0.0000509000000000, -0.0016125000000000, -0.0016589000000000 ] - [ 0.0003956500000000, -0.0001832000000000, -0.0003647900000000 ] - [ -0.0010517400000000, 0.0055073000000000, -0.0081546000000000 ] - [ 0.0001926100000000, -0.0001659800000000, 0.0001329500000000 ] - [ 0.0001318800000000, -0.0000961300000000, 0.0006541000000000 ] - [ 0.0001554000000000, -0.0002105300000000, 0.0001451400000000 ] - [ -0.0000273600000000, -0.0000382200000000, 0.0023874300000000 ] - [ 0.0000000000000000, -0.0007001700000000, 0.0102570300000000 ] - [ 0.0000000000000000, -0.0001458000000000, -0.0000280300000000 ] - [ 0.0000000000000000, -0.0003100500000000, -0.0000694100000000 ] - [ 0.0000000000000000, -0.0001272300000000, -0.0000354800000000 ] - [ 0.0000000000000000, -0.0023449900000000, -0.0047763700000000 ] - [ 0.0000000000000000, -0.0000861100000000, -0.0000615800000000 ] - [ 0.0000000000000000, 0.0012842700000000, -0.0002985700000000 ] - [ 0.0000000000000000, -0.0000979800000000, -0.0000417000000000 ] - [ -0.0000591100000000, 0.0001110800000000, 0.0003677300000000 ] - [ 0.0000591100000000, 0.0001110800000000, 0.0003677300000000 ] - [ -0.0001386400000000, 0.0001689700000000, 0.0007810600000000 ] - [ 0.0001386400000000, 0.0001689700000000, 0.0007810600000000 ] - [ -0.0000442700000000, 0.0001785600000000, -0.0003916000000000 ] - [ 0.0000442700000000, 0.0001785600000000, -0.0003916000000000 ] - [ 0.0000160900000000, 0.0001134400000000, -0.0005642700000000 ] - [ -0.0000160900000000, 0.0001134400000000, -0.0005642700000000 ] - [ -0.0035870000000000, -0.0011178800000000, 0.0002382200000000 ] - [ 0.0035870000000000, -0.0011178800000000, 0.0002382200000000 ] - [ -0.0002434100000000, -0.0004859400000000, 0.0001234400000000 ] - [ 0.0002434100000000, -0.0004859400000000, 0.0001234400000000 ] - [ 0.0032469700000000, 0.0006562200000000, -0.0013428400000000 ] - [ -0.0032469700000000, 0.0006562200000000, -0.0013428400000000 ] - [ 0.0006309000000000, -0.0003981800000000, -0.0002882600000000 ] - [ -0.0006309000000000, -0.0003981800000000, -0.0002882600000000 ] - [ 0.0000000000000000, 0.0008228900000000, -0.0014090600000000 ] - [ 0.0000000000000000, 0.0005822600000000, -0.0002396100000000 ] - [ 0.0000000000000000, 0.0005662700000000, -0.0062511200000000 ] - [ 0.0000000000000000, 0.0005039500000000, -0.0003357700000000 ] - [ 0.0000000000000000, 0.0011166600000000, 0.0031722000000000 ] - [ 0.0000000000000000, 0.0006075100000000, 0.0006623200000000 ] - [ 0.0000000000000000, -0.0366684700000000, 0.0506538900000000 ] - [ 0.0000000000000000, 0.0006064800000000, 0.0007624800000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001934000000000, -0.0006772400000000, 0.0001470000000000 ] - [ -0.0002216800000000, 0.0000532000000000, -0.0000054300000000 ] - [ 0.0007836300000000, 0.0015994700000000, 0.0006393000000000 ] - [ -0.0003084400000000, 0.0003454500000000, 0.0000082800000000 ] - [ -0.0000585300000000, 0.0009144100000000, 0.0002872400000000 ] - [ 0.0001073200000000, 0.0003851200000000, 0.0000953900000000 ] - [ -0.0027379700000000, -0.0004995100000000, 0.0010172600000000 ] - [ 0.0001935000000000, 0.0000960700000000, 0.0000772500000000 ] - [ 0.0001023700000000, -0.0002816100000000, -0.0004536000000000 ] - [ -0.0012610800000000, -0.0006183100000000, -0.0060123600000000 ] - [ -0.0000179400000000, -0.0002146100000000, -0.0001630000000000 ] - [ 0.0001872300000000, 0.0000386600000000, -0.0006419300000000 ] - [ -0.0001531300000000, -0.0001620400000000, 0.0004375400000000 ] - [ -0.0001329400000000, -0.0001595900000000, 0.0012047900000000 ] - [ -0.0001038800000000, -0.0002071500000000, 0.0002017300000000 ] - [ -0.0000976400000000, -0.0002690900000000, 0.0004190100000000 ] - [ 0.0002216800000000, 0.0000532000000000, -0.0000054300000000 ] - [ -0.0001934000000000, -0.0006772400000000, 0.0001470000000000 ] - [ 0.0003084400000000, 0.0003454500000000, 0.0000082800000000 ] - [ -0.0007836300000000, 0.0015994700000000, 0.0006393000000000 ] - [ -0.0001073200000000, 0.0003851200000000, 0.0000953900000000 ] - [ 0.0000585300000000, 0.0009144100000000, 0.0002872400000000 ] - [ -0.0001935000000000, 0.0000960700000000, 0.0000772500000000 ] - [ 0.0027379700000000, -0.0004995100000000, 0.0010172600000000 ] - [ 0.0012610800000000, -0.0006183100000000, -0.0060123600000000 ] - [ -0.0001023700000000, -0.0002816100000000, -0.0004536000000000 ] - [ -0.0001872300000000, 0.0000386600000000, -0.0006419300000000 ] - [ 0.0000179400000000, -0.0002146100000000, -0.0001630000000000 ] - [ 0.0001329400000000, -0.0001595900000000, 0.0012047900000000 ] - [ 0.0001531300000000, -0.0001620400000000, 0.0004375400000000 ] - [ 0.0000976400000000, -0.0002690900000000, 0.0004190100000000 ] - [ 0.0001038800000000, -0.0002071500000000, 0.0002017300000000 ] - [ 0.0000000000000000, -0.0464219100000000, 0.0651381400000000 ] - [ 0.0000000000000000, 0.0000052400000000, 0.0003092200000000 ] - [ 0.0000000000000000, 0.0002914400000000, 0.0007084500000000 ] - [ 0.0000000000000000, 0.0000274800000000, 0.0001565300000000 ] - [ 0.0000000000000000, 0.0000750200000000, -0.0024103400000000 ] - [ 0.0000000000000000, -0.0000077400000000, -0.0002869300000000 ] - [ 0.0000000000000000, 0.0002812900000000, -0.0005954200000000 ] - [ 0.0000000000000000, 0.0000123500000000, -0.0001522200000000 ] - [ 0.0000000000000000, 0.0005653700000000, -0.0009952600000000 ] - [ 0.0000000000000000, -0.0000583100000000, -0.0002171200000000 ] - [ 0.0000000000000000, -0.0019266900000000, -0.0046762700000000 ] - [ 0.0000000000000000, -0.0002071900000000, -0.0002663800000000 ] - [ 0.0000000000000000, -0.0011829000000000, 0.0011113800000000 ] - [ 0.0000000000000000, -0.0002555200000000, 0.0002556600000000 ] - [ 0.0000000000000000, 0.0205156500000000, -0.0079136200000000 ] - [ 0.0000000000000000, -0.0001214600000000, 0.0003079500000000 ] - [ -0.0001620200000000, 0.0002195500000000, -0.0000483300000000 ] - [ 0.0001620200000000, 0.0002195500000000, -0.0000483300000000 ] - [ -0.0007677300000000, -0.0004187700000000, -0.0001863200000000 ] - [ 0.0007677300000000, -0.0004187700000000, -0.0001863200000000 ] - [ 0.0002151900000000, -0.0000499100000000, -0.0000484300000000 ] - [ -0.0002151900000000, -0.0000499100000000, -0.0000484300000000 ] - [ 0.0010422100000000, 0.0003521800000000, -0.0001816000000000 ] - [ -0.0010422100000000, 0.0003521800000000, -0.0001816000000000 ] - [ -0.0012885400000000, 0.0003886800000000, 0.0010011300000000 ] - [ 0.0012885400000000, 0.0003886800000000, 0.0010011300000000 ] - [ -0.0002227400000000, 0.0000221200000000, 0.0001606700000000 ] - [ 0.0002227400000000, 0.0000221200000000, 0.0001606700000000 ] - [ 0.0004640000000000, 0.0002698000000000, -0.0014570300000000 ] - [ -0.0004640000000000, 0.0002698000000000, -0.0014570300000000 ] - [ 0.0001188800000000, 0.0001903400000000, -0.0003774200000000 ] - [ -0.0001188800000000, 0.0001903400000000, -0.0003774200000000 ] - [ -0.0004795200000000, 0.0011846400000000, 0.0014279900000000 ] - [ -0.0001560300000000, -0.0001310800000000, 0.0001443800000000 ] - [ -0.0015966900000000, -0.0059726300000000, 0.0079111100000000 ] - [ -0.0001351800000000, -0.0002313900000000, 0.0001426500000000 ] - [ -0.0004000300000000, -0.0003205700000000, -0.0008731100000000 ] - [ -0.0003424400000000, -0.0002523400000000, -0.0003555200000000 ] - [ -0.0005550100000000, -0.0003752600000000, -0.0026054900000000 ] - [ -0.0003771600000000, -0.0002027800000000, -0.0003686500000000 ] - [ -0.0024112000000000, 0.0007680600000000, -0.0016107900000000 ] - [ 0.0011704700000000, 0.0003502500000000, -0.0003626100000000 ] - [ 0.0001126200000000, 0.0000522300000000, -0.0002545000000000 ] - [ 0.0004381500000000, 0.0002159900000000, -0.0002252900000000 ] - [ 0.0048705700000000, -0.0009941700000000, -0.0025503200000000 ] - [ -0.0008925600000000, 0.0001174300000000, 0.0001187600000000 ] - [ 0.0011968300000000, 0.0008731900000000, 0.0000305200000000 ] - [ -0.0000839300000000, 0.0001945900000000, -0.0000331700000000 ] - [ -0.0011704700000000, 0.0003502500000000, -0.0003626100000000 ] - [ 0.0024112000000000, 0.0007680600000000, -0.0016107900000000 ] - [ -0.0004381500000000, 0.0002159900000000, -0.0002252900000000 ] - [ -0.0001126200000000, 0.0000522300000000, -0.0002545000000000 ] - [ 0.0008925600000000, 0.0001174300000000, 0.0001187600000000 ] - [ -0.0048705700000000, -0.0009941700000000, -0.0025503200000000 ] - [ 0.0000839300000000, 0.0001945900000000, -0.0000331700000000 ] - [ -0.0011968300000000, 0.0008731900000000, 0.0000305200000000 ] - [ 0.0001560300000000, -0.0001310800000000, 0.0001443800000000 ] - [ 0.0004795200000000, 0.0011846400000000, 0.0014279900000000 ] - [ 0.0001351800000000, -0.0002313900000000, 0.0001426500000000 ] - [ 0.0015966900000000, -0.0059726300000000, 0.0079111100000000 ] - [ 0.0003424400000000, -0.0002523400000000, -0.0003555200000000 ] - [ 0.0004000300000000, -0.0003205700000000, -0.0008731100000000 ] - [ 0.0003771600000000, -0.0002027800000000, -0.0003686500000000 ] - [ 0.0005550100000000, -0.0003752600000000, -0.0026054900000000 ] - [ 0.0000000000000000, 0.0003029700000000, -0.0095107700000000 ] - [ 0.0000000000000000, -0.0000878100000000, -0.0000382300000000 ] - [ 0.0000000000000000, 0.0000814600000000, 0.0000103100000000 ] - [ 0.0000000000000000, -0.0001068100000000, -0.0000293700000000 ] - [ 0.0000000000000000, 0.0021120000000000, 0.0046157000000000 ] - [ 0.0000000000000000, -0.0001492500000000, -0.0000042700000000 ] - [ 0.0000000000000000, -0.0015218000000000, 0.0002305600000000 ] - [ 0.0000000000000000, -0.0001341800000000, -0.0000247600000000 ] - [ 0.0000599000000000, 0.0001240300000000, -0.0004357500000000 ] - [ -0.0000599000000000, 0.0001240300000000, -0.0004357500000000 ] - [ 0.0001498000000000, 0.0000607400000000, -0.0008508900000000 ] - [ -0.0001498000000000, 0.0000607400000000, -0.0008508900000000 ] - [ 0.0000437600000000, 0.0000568300000000, 0.0003269200000000 ] - [ -0.0000437600000000, 0.0000568300000000, 0.0003269200000000 ] - [ -0.0000177800000000, 0.0001188000000000, 0.0004991300000000 ] - [ 0.0000177800000000, 0.0001188000000000, 0.0004991300000000 ] - [ 0.0035652900000000, -0.0000305800000000, 0.0001392700000000 ] - [ -0.0035652900000000, -0.0000305800000000, 0.0001392700000000 ] - [ 0.0002502400000000, -0.0006464100000000, 0.0002508200000000 ] - [ -0.0002502400000000, -0.0006464100000000, 0.0002508200000000 ] - [ -0.0032516300000000, -0.0018046900000000, 0.0017063900000000 ] - [ 0.0032516300000000, -0.0018046900000000, 0.0017063900000000 ] - [ -0.0006281300000000, -0.0007394900000000, 0.0006494200000000 ] - [ 0.0006281300000000, -0.0007394900000000, 0.0006494200000000 ] - [ 0.0000000000000000, 0.0003221000000000, 0.0017734800000000 ] - [ 0.0000000000000000, 0.0005616700000000, 0.0006047100000000 ] - [ 0.0000000000000000, 0.0005679200000000, 0.0066062100000000 ] - [ 0.0000000000000000, 0.0006381600000000, 0.0007020700000000 ] - [ 0.0000000000000000, 0.0000438700000000, -0.0028021100000000 ] - [ 0.0000000000000000, 0.0005391300000000, -0.0003009200000000 ] - [ 0.0000000000000000, 0.0372412900000000, -0.0497899900000000 ] - [ 0.0000000000000000, 0.0005319600000000, -0.0004012000000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0149335800000000, 0.0026703500000000, -0.0022930800000000 ] - [ -0.0012111200000000, 0.0004286100000000, -0.0001381800000000 ] - [ 0.0006563600000000, 0.0005331100000000, 0.0002313000000000 ] - [ -0.0007262200000000, 0.0000587300000000, -0.0000925800000000 ] - [ 0.0001254600000000, 0.0005304800000000, -0.0019244400000000 ] - [ -0.0005787600000000, 0.0001937000000000, 0.0000437800000000 ] - [ 0.0002893800000000, 0.0002432500000000, 0.0000733600000000 ] - [ -0.0004232800000000, 0.0001519300000000, 0.0000090800000000 ] - [ -0.0006306500000000, -0.0001966400000000, 0.0001130000000000 ] - [ 0.0004445000000000, 0.0000879400000000, -0.0002293800000000 ] - [ -0.0006475600000000, -0.0001130100000000, 0.0001512500000000 ] - [ 0.0005044300000000, -0.0004148200000000, -0.0002405100000000 ] - [ -0.0007025100000000, -0.0002664900000000, -0.0002172300000000 ] - [ -0.0000446500000000, 0.0023502600000000, 0.0007099800000000 ] - [ -0.0006199900000000, -0.0001074400000000, -0.0002681400000000 ] - [ 0.0005778400000000, -0.0011638400000000, 0.0010535400000000 ] - [ -0.0010868200000000, -0.0000057700000000, 0.0002091700000000 ] - [ 0.0141544300000000, -0.0019575000000000, 0.0018901900000000 ] - [ -0.0005992400000000, 0.0003663700000000, 0.0001646600000000 ] - [ 0.0007832800000000, -0.0001002100000000, -0.0001654100000000 ] - [ -0.0004447800000000, 0.0002358300000000, 0.0000237700000000 ] - [ 0.0002539400000000, -0.0001005400000000, 0.0020160000000000 ] - [ -0.0002938300000000, 0.0002708600000000, 0.0000626500000000 ] - [ 0.0004204100000000, 0.0001884200000000, -0.0000039900000000 ] - [ 0.0005766100000000, -0.0005191300000000, 0.0003033200000000 ] - [ -0.0004996600000000, -0.0002303400000000, -0.0000404900000000 ] - [ 0.0006361300000000, -0.0000137200000000, 0.0003116600000000 ] - [ -0.0005172800000000, -0.0003195300000000, -0.0000807800000000 ] - [ 0.0000940700000000, -0.0027709400000000, -0.0006508500000000 ] - [ -0.0005720700000000, -0.0001696300000000, 0.0002804500000000 ] - [ 0.0007334600000000, 0.0007216100000000, -0.0010035200000000 ] - [ -0.0004909100000000, -0.0003224800000000, 0.0003326300000000 ] - [ -0.0010267200000000, 0.0000127200000000, -0.0000073200000000 ] - [ 0.0007310800000000, 0.0000115300000000, -0.0000066600000000 ] - [ -0.0017620600000000, 0.0000124700000000, -0.0000127200000000 ] - [ 0.0008171700000000, 0.0000111400000000, -0.0000069200000000 ] - [ -0.0015528200000000, 0.0000096800000000, -0.0000044600000000 ] - [ 0.0007415600000000, 0.0000151500000000, -0.0000048000000000 ] - [ -0.0094205900000000, 0.0000528800000000, -0.0000530000000000 ] - [ 0.0008109500000000, 0.0000148500000000, -0.0000050800000000 ] - [ -0.0778974300000000, -0.0006528900000000, 0.0010441300000000 ] - [ 0.0011967600000000, -0.0001601000000000, 0.0000185900000000 ] - [ -0.0010799200000000, -0.0001594300000000, 0.0000177100000000 ] - [ 0.0008439700000000, -0.0001611900000000, 0.0000187600000000 ] - [ -0.0021580500000000, -0.0001611800000000, 0.0000031500000000 ] - [ 0.0007277100000000, -0.0001603300000000, 0.0000093000000000 ] - [ -0.0006388400000000, -0.0001586800000000, 0.0000084000000000 ] - [ 0.0005836000000000, -0.0001584000000000, 0.0000084500000000 ] - [ 0.0040150700000000, -0.0019770400000000, -0.0012989800000000 ] - [ 0.0039823000000000, 0.0019340100000000, 0.0012776200000000 ] - [ 0.0007601000000000, 0.0010514500000000, -0.0002207900000000 ] - [ 0.0007608400000000, -0.0010746000000000, 0.0002096400000000 ] - [ 0.0005826300000000, -0.0005740700000000, 0.0004580200000000 ] - [ 0.0005913700000000, 0.0005488500000000, -0.0004758800000000 ] - [ 0.0001031800000000, 0.0003896300000000, 0.0001118400000000 ] - [ 0.0001046800000000, -0.0004155600000000, -0.0001252800000000 ] - [ 0.0006534900000000, 0.0004138900000000, -0.0009603700000000 ] - [ 0.0006540300000000, -0.0000902700000000, 0.0009855600000000 ] - [ 0.0002839200000000, -0.0005590400000000, -0.0010820000000000 ] - [ 0.0002885700000000, 0.0008751700000000, 0.0011046200000000 ] - [ 0.0006500400000000, 0.0007889600000000, 0.0006157700000000 ] - [ 0.0006555700000000, -0.0004702600000000, -0.0005836100000000 ] - [ 0.0002827900000000, -0.0003906900000000, 0.0006530300000000 ] - [ 0.0002885200000000, 0.0007147000000000, -0.0006197100000000 ] - [ -0.0024509500000000, -0.0003054200000000, -0.0036211100000000 ] - [ 0.0009618400000000, -0.0000533800000000, 0.0003159000000000 ] - [ -0.0012702900000000, -0.0004835800000000, -0.0004835000000000 ] - [ 0.0006412700000000, 0.0000055500000000, 0.0001563700000000 ] - [ -0.0017811200000000, 0.0015085400000000, 0.0180998800000000 ] - [ 0.0009794500000000, 0.0000012100000000, -0.0000765700000000 ] - [ -0.0012124200000000, -0.0004177100000000, -0.0000792100000000 ] - [ 0.0005555800000000, -0.0000036900000000, -0.0000716100000000 ] - [ 0.0035962200000000, 0.0044765200000000, -0.0014099200000000 ] - [ 0.0018103000000000, 0.0001238500000000, -0.0001479800000000 ] - [ 0.0010366000000000, -0.0022864700000000, -0.0004459300000000 ] - [ 0.0016556900000000, 0.0011354200000000, -0.0003605700000000 ] - [ 0.0004156600000000, 0.0009244500000000, 0.0004963600000000 ] - [ 0.0009093400000000, 0.0002428200000000, -0.0002762400000000 ] - [ -0.0002193500000000, -0.0000809900000000, -0.0000330300000000 ] - [ 0.0008179200000000, 0.0005041000000000, -0.0002583800000000 ] - [ 0.0012649900000000, 0.0003011100000000, -0.0000794700000000 ] - [ 0.0030382900000000, -0.0040278800000000, 0.0011802000000000 ] - [ 0.0011093100000000, -0.0007134800000000, 0.0001380900000000 ] - [ 0.0004947200000000, 0.0026929700000000, 0.0002217600000000 ] - [ 0.0003579100000000, 0.0001809700000000, 0.0000439400000000 ] - [ -0.0001269400000000, -0.0005054800000000, -0.0007304700000000 ] - [ 0.0002646700000000, -0.0000781500000000, 0.0000246200000000 ] - [ -0.0007586800000000, 0.0005066200000000, -0.0001997000000000 ] - [ 0.0015035700000000, -0.0003675300000000, -0.0005442300000000 ] - [ -0.0019001700000000, -0.0001179000000000, 0.0033719400000000 ] - [ 0.0011821500000000, -0.0004255300000000, -0.0003876800000000 ] - [ -0.0007276200000000, 0.0000655500000000, 0.0002534700000000 ] - [ 0.0015273700000000, -0.0004257600000000, -0.0001488200000000 ] - [ -0.0011962700000000, -0.0018969900000000, -0.0182001300000000 ] - [ 0.0011006800000000, -0.0004171200000000, -0.0001529800000000 ] - [ -0.0006626400000000, 0.0000045800000000, -0.0001434800000000 ] - [ 0.0026753900000000, -0.0001125100000000, -0.0000364900000000 ] - [ -0.0007930200000000, -0.0001164200000000, -0.0000307200000000 ] - [ 0.0041316100000000, -0.0001006800000000, -0.0000351500000000 ] - [ -0.0009184500000000, -0.0001159500000000, -0.0000299400000000 ] - [ 0.0011024300000000, -0.0001149900000000, -0.0000274400000000 ] - [ -0.0005025000000000, -0.0001162800000000, -0.0000311000000000 ] - [ 0.0006132700000000, -0.0001176600000000, -0.0000193900000000 ] - [ -0.0004897500000000, -0.0001158100000000, -0.0000298300000000 ] - [ -0.0003374000000000, 0.0000736100000000, 0.0005330800000000 ] - [ -0.0003355500000000, 0.0001589000000000, -0.0005874500000000 ] - [ -0.0000257600000000, 0.0000512200000000, 0.0001613100000000 ] - [ -0.0000263300000000, 0.0001808000000000, -0.0002189300000000 ] - [ -0.0023089500000000, 0.0003567600000000, -0.0010325700000000 ] - [ -0.0023074100000000, -0.0001265700000000, 0.0009519100000000 ] - [ -0.0000634400000000, 0.0000337800000000, -0.0003328200000000 ] - [ -0.0000656400000000, 0.0001984800000000, 0.0002687500000000 ] - [ -0.0032149500000000, -0.0020032100000000, 0.0017544400000000 ] - [ -0.0032099300000000, 0.0008595700000000, -0.0013877900000000 ] - [ -0.0026232600000000, 0.0032808700000000, 0.0018533900000000 ] - [ -0.0026164700000000, -0.0043856400000000, -0.0014813300000000 ] - [ -0.0008779400000000, -0.0013104200000000, -0.0005350100000000 ] - [ -0.0008869500000000, 0.0001718500000000, 0.0009019000000000 ] - [ -0.0001572500000000, 0.0004649300000000, -0.0004621600000000 ] - [ -0.0001704200000000, -0.0016095000000000, 0.0008293300000000 ] - [ 0.0474120600000000, 0.0006517600000000, -0.0004277800000000 ] - [ -0.0021664700000000, 0.0005732100000000, 0.0001776700000000 ] - [ 0.0015911400000000, 0.0005688700000000, 0.0001750100000000 ] - [ -0.0015443600000000, 0.0005707800000000, 0.0001775100000000 ] - [ 0.0063563100000000, 0.0005755500000000, 0.0002096800000000 ] - [ -0.0020340500000000, 0.0005720200000000, 0.0001835500000000 ] - [ 0.0017743700000000, 0.0005713000000000, 0.0001852800000000 ] - [ -0.0015654300000000, 0.0005714500000000, 0.0001833900000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0021651700000000, 0.0063591100000000, -0.0006421700000000 ] - [ -0.0001418500000000, 0.0007014600000000, 0.0000704200000000 ] - [ 0.0001075500000000, -0.0009290100000000, -0.0001435400000000 ] - [ 0.0000302100000000, -0.0001982500000000, 0.0000101600000000 ] - [ 0.0000436700000000, 0.0004616400000000, -0.0004836700000000 ] - [ -0.0000564300000000, 0.0003618400000000, 0.0000230100000000 ] - [ 0.0000873600000000, -0.0002230500000000, 0.0001981700000000 ] - [ -0.0000868900000000, 0.0000369600000000, 0.0000365800000000 ] - [ -0.0002815600000000, -0.0001033000000000, 0.0001395900000000 ] - [ -0.0000709000000000, -0.0002192000000000, 0.0005031200000000 ] - [ 0.0001381800000000, -0.0003194100000000, -0.0000053000000000 ] - [ -0.0002022900000000, -0.0004456800000000, -0.0002119000000000 ] - [ -0.0002391900000000, -0.0001521900000000, -0.0001761500000000 ] - [ 0.0014130200000000, -0.0015101700000000, -0.0017770300000000 ] - [ 0.0001504700000000, -0.0003045300000000, 0.0001385400000000 ] - [ -0.0024750000000000, -0.0018383900000000, 0.0003297400000000 ] - [ 0.0001418500000000, 0.0007014600000000, 0.0000704200000000 ] - [ -0.0021651700000000, 0.0063591100000000, -0.0006421700000000 ] - [ -0.0000302100000000, -0.0001982500000000, 0.0000101600000000 ] - [ -0.0001075500000000, -0.0009290100000000, -0.0001435400000000 ] - [ 0.0000564300000000, 0.0003618400000000, 0.0000230100000000 ] - [ -0.0000436700000000, 0.0004616400000000, -0.0004836700000000 ] - [ 0.0000868900000000, 0.0000369600000000, 0.0000365800000000 ] - [ -0.0000873600000000, -0.0002230500000000, 0.0001981700000000 ] - [ 0.0000709000000000, -0.0002192000000000, 0.0005031200000000 ] - [ 0.0002815600000000, -0.0001033000000000, 0.0001395900000000 ] - [ 0.0002022900000000, -0.0004456800000000, -0.0002119000000000 ] - [ -0.0001381800000000, -0.0003194100000000, -0.0000053000000000 ] - [ -0.0014130200000000, -0.0015101700000000, -0.0017770300000000 ] - [ 0.0002391900000000, -0.0001521900000000, -0.0001761500000000 ] - [ 0.0024750000000000, -0.0018383900000000, 0.0003297400000000 ] - [ -0.0001504700000000, -0.0003045300000000, 0.0001385400000000 ] - [ 0.0000000000000000, 0.0010827400000000, -0.0007332100000000 ] - [ 0.0000000000000000, 0.0002128800000000, -0.0001037600000000 ] - [ 0.0000000000000000, -0.0013053300000000, 0.0017767800000000 ] - [ 0.0000000000000000, -0.0002105700000000, 0.0000480600000000 ] - [ 0.0000000000000000, 0.0032221100000000, 0.0010300800000000 ] - [ 0.0000000000000000, 0.0002565600000000, 0.0000954000000000 ] - [ 0.0000000000000000, 0.0058394600000000, -0.0203742700000000 ] - [ 0.0000000000000000, -0.0002490400000000, -0.0000402300000000 ] - [ 0.0000000000000000, -0.0567444000000000, 0.0340087500000000 ] - [ 0.0000000000000000, -0.0004886900000000, 0.0000118000000000 ] - [ 0.0000000000000000, 0.0017032700000000, 0.0000466200000000 ] - [ 0.0000000000000000, 0.0001366200000000, 0.0000561200000000 ] - [ 0.0000000000000000, -0.0011871200000000, -0.0002221400000000 ] - [ 0.0000000000000000, -0.0002990600000000, 0.0000059900000000 ] - [ 0.0000000000000000, 0.0004556000000000, -0.0002652400000000 ] - [ 0.0000000000000000, -0.0000117100000000, -0.0000406300000000 ] - [ -0.0008858200000000, -0.0014165800000000, 0.0002274100000000 ] - [ 0.0008858200000000, -0.0014165800000000, 0.0002274100000000 ] - [ 0.0005936400000000, 0.0018063500000000, -0.0001357300000000 ] - [ -0.0005936400000000, 0.0018063500000000, -0.0001357300000000 ] - [ 0.0001280300000000, -0.0007176300000000, 0.0001064600000000 ] - [ -0.0001280300000000, -0.0007176300000000, 0.0001064600000000 ] - [ -0.0000481700000000, 0.0004325200000000, 0.0000292900000000 ] - [ 0.0000481700000000, 0.0004325200000000, 0.0000292900000000 ] - [ 0.0006301200000000, 0.0003928200000000, -0.0009249400000000 ] - [ -0.0006301200000000, 0.0003928200000000, -0.0009249400000000 ] - [ -0.0005512800000000, -0.0000202300000000, 0.0006304700000000 ] - [ 0.0005512800000000, -0.0000202300000000, 0.0006304700000000 ] - [ 0.0002509500000000, 0.0003900900000000, 0.0004661500000000 ] - [ -0.0002509500000000, 0.0003900900000000, 0.0004661500000000 ] - [ -0.0007143100000000, -0.0000208400000000, -0.0004783600000000 ] - [ 0.0007143100000000, -0.0000208400000000, -0.0004783600000000 ] - [ -0.0000564500000000, -0.0018846900000000, -0.0016058800000000 ] - [ -0.0003015300000000, -0.0004864500000000, -0.0001292000000000 ] - [ -0.0001903100000000, 0.0005601500000000, 0.0000447300000000 ] - [ -0.0002366100000000, 0.0000616600000000, -0.0001251300000000 ] - [ 0.0020698400000000, -0.0076268300000000, 0.0070362500000000 ] - [ -0.0003469500000000, -0.0004563900000000, -0.0000998700000000 ] - [ -0.0001314200000000, 0.0018545300000000, 0.0000025700000000 ] - [ -0.0001771800000000, 0.0000455500000000, -0.0000785600000000 ] - [ 0.0056223100000000, 0.0034700600000000, -0.0015510500000000 ] - [ -0.0010542800000000, 0.0000418000000000, -0.0001076100000000 ] - [ -0.0031161800000000, 0.0018046500000000, 0.0009002400000000 ] - [ 0.0012382700000000, 0.0003219600000000, -0.0001520500000000 ] - [ 0.0003465200000000, 0.0003215200000000, -0.0000582400000000 ] - [ 0.0001169400000000, 0.0001676300000000, -0.0000817900000000 ] - [ -0.0004466200000000, 0.0002248600000000, -0.0004565800000000 ] - [ 0.0005915600000000, 0.0002289800000000, -0.0002314800000000 ] - [ 0.0010542800000000, 0.0000418000000000, -0.0001076100000000 ] - [ -0.0056223100000000, 0.0034700600000000, -0.0015510500000000 ] - [ -0.0012382700000000, 0.0003219600000000, -0.0001520500000000 ] - [ 0.0031161800000000, 0.0018046500000000, 0.0009002400000000 ] - [ -0.0001169400000000, 0.0001676300000000, -0.0000817900000000 ] - [ -0.0003465200000000, 0.0003215200000000, -0.0000582400000000 ] - [ -0.0005915600000000, 0.0002289800000000, -0.0002314800000000 ] - [ 0.0004466200000000, 0.0002248600000000, -0.0004565800000000 ] - [ 0.0003015300000000, -0.0004864500000000, -0.0001292000000000 ] - [ 0.0000564500000000, -0.0018846900000000, -0.0016058800000000 ] - [ 0.0002366100000000, 0.0000616600000000, -0.0001251300000000 ] - [ 0.0001903100000000, 0.0005601500000000, 0.0000447300000000 ] - [ 0.0003469500000000, -0.0004563900000000, -0.0000998700000000 ] - [ -0.0020698400000000, -0.0076268300000000, 0.0070362500000000 ] - [ 0.0001771800000000, 0.0000455500000000, -0.0000785600000000 ] - [ 0.0001314200000000, 0.0018545300000000, 0.0000025700000000 ] - [ 0.0000000000000000, -0.0051054500000000, 0.0020530900000000 ] - [ 0.0000000000000000, -0.0001625200000000, 0.0000079400000000 ] - [ 0.0000000000000000, 0.0056335000000000, -0.0004832300000000 ] - [ 0.0000000000000000, -0.0000943400000000, -0.0000663700000000 ] - [ 0.0000000000000000, -0.0002639500000000, -0.0002448300000000 ] - [ 0.0000000000000000, -0.0001238600000000, -0.0000301500000000 ] - [ 0.0000000000000000, -0.0000930600000000, 0.0015909100000000 ] - [ 0.0000000000000000, -0.0001012300000000, -0.0000351700000000 ] - [ -0.0000682900000000, 0.0005254200000000, -0.0000773500000000 ] - [ 0.0000682900000000, 0.0005254200000000, -0.0000773500000000 ] - [ 0.0000531800000000, -0.0002695900000000, 0.0000739500000000 ] - [ -0.0000531800000000, -0.0002695900000000, 0.0000739500000000 ] - [ -0.0001720500000000, 0.0009156500000000, 0.0001521600000000 ] - [ 0.0001720500000000, 0.0009156500000000, 0.0001521600000000 ] - [ 0.0001202900000000, -0.0003921000000000, -0.0001277300000000 ] - [ -0.0001202900000000, -0.0003921000000000, -0.0001277300000000 ] - [ -0.0031166800000000, -0.0022019500000000, 0.0018183600000000 ] - [ 0.0031166800000000, -0.0022019500000000, 0.0018183600000000 ] - [ 0.0035521200000000, 0.0006778900000000, -0.0011488200000000 ] - [ -0.0035521200000000, 0.0006778900000000, -0.0011488200000000 ] - [ -0.0002159600000000, -0.0010471000000000, -0.0001433600000000 ] - [ 0.0002159600000000, -0.0010471000000000, -0.0001433600000000 ] - [ 0.0008875500000000, 0.0003593800000000, 0.0006959200000000 ] - [ -0.0008875500000000, 0.0003593800000000, 0.0006959200000000 ] - [ 0.0000000000000000, 0.0469456600000000, -0.0248846700000000 ] - [ 0.0000000000000000, 0.0010812600000000, 0.0002034700000000 ] - [ 0.0000000000000000, -0.0041662100000000, 0.0000808700000000 ] - [ 0.0000000000000000, 0.0000816900000000, 0.0000615000000000 ] - [ 0.0000000000000000, 0.0044589200000000, 0.0006365100000000 ] - [ 0.0000000000000000, 0.0009574700000000, 0.0001962200000000 ] - [ 0.0000000000000000, -0.0011264800000000, 0.0004016700000000 ] - [ 0.0000000000000000, 0.0001834100000000, 0.0002526000000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0022832700000000, -0.0059566600000000, 0.0006839800000000 ] - [ 0.0000113300000000, -0.0002698100000000, -0.0000029900000000 ] - [ -0.0002403200000000, 0.0013602200000000, 0.0002084200000000 ] - [ -0.0001591600000000, 0.0006307800000000, 0.0000570500000000 ] - [ -0.0001685900000000, -0.0000347300000000, 0.0005751700000000 ] - [ -0.0000744100000000, 0.0000669900000000, 0.0000474200000000 ] - [ -0.0002180700000000, 0.0006505200000000, -0.0001305500000000 ] - [ -0.0000421300000000, 0.0003838200000000, 0.0000351400000000 ] - [ 0.0001520200000000, -0.0003323100000000, -0.0000699000000000 ] - [ -0.0000576400000000, -0.0002093200000000, -0.0004295100000000 ] - [ -0.0002686500000000, -0.0001124600000000, 0.0000753800000000 ] - [ 0.0000746100000000, 0.0000200200000000, 0.0002869100000000 ] - [ 0.0001121300000000, -0.0002732600000000, 0.0002457500000000 ] - [ -0.0015267500000000, 0.0010893200000000, 0.0018242800000000 ] - [ -0.0002815700000000, -0.0001284100000000, -0.0000724500000000 ] - [ 0.0023477200000000, 0.0014103200000000, -0.0002656600000000 ] - [ -0.0000113300000000, -0.0002698100000000, -0.0000029900000000 ] - [ 0.0022832700000000, -0.0059566600000000, 0.0006839800000000 ] - [ 0.0001591600000000, 0.0006307800000000, 0.0000570500000000 ] - [ 0.0002403200000000, 0.0013602200000000, 0.0002084200000000 ] - [ 0.0000744100000000, 0.0000669900000000, 0.0000474200000000 ] - [ 0.0001685900000000, -0.0000347300000000, 0.0005751700000000 ] - [ 0.0000421300000000, 0.0003838200000000, 0.0000351400000000 ] - [ 0.0002180700000000, 0.0006505200000000, -0.0001305500000000 ] - [ 0.0000576400000000, -0.0002093200000000, -0.0004295100000000 ] - [ -0.0001520200000000, -0.0003323100000000, -0.0000699000000000 ] - [ -0.0000746100000000, 0.0000200200000000, 0.0002869100000000 ] - [ 0.0002686500000000, -0.0001124600000000, 0.0000753800000000 ] - [ 0.0015267500000000, 0.0010893200000000, 0.0018242800000000 ] - [ -0.0001121300000000, -0.0002732600000000, 0.0002457500000000 ] - [ -0.0023477200000000, 0.0014103200000000, -0.0002656600000000 ] - [ 0.0002815700000000, -0.0001284100000000, -0.0000724500000000 ] - [ 0.0000000000000000, -0.0010686700000000, 0.0007188800000000 ] - [ 0.0000000000000000, -0.0002072800000000, 0.0000943900000000 ] - [ 0.0000000000000000, 0.0013214600000000, -0.0017882800000000 ] - [ 0.0000000000000000, 0.0002174000000000, -0.0000572500000000 ] - [ 0.0000000000000000, -0.0032021700000000, -0.0010214000000000 ] - [ 0.0000000000000000, -0.0002426500000000, -0.0001011400000000 ] - [ 0.0000000000000000, -0.0059441800000000, 0.0206547200000000 ] - [ 0.0000000000000000, 0.0002550300000000, 0.0000316700000000 ] - [ 0.0000000000000000, 0.0567478800000000, -0.0330201500000000 ] - [ 0.0000000000000000, 0.0001700200000000, 0.0000030800000000 ] - [ 0.0000000000000000, -0.0020152600000000, -0.0000316500000000 ] - [ 0.0000000000000000, -0.0004535800000000, -0.0000359200000000 ] - [ 0.0000000000000000, 0.0008720700000000, 0.0002223500000000 ] - [ 0.0000000000000000, -0.0000212400000000, 0.0000111700000000 ] - [ 0.0000000000000000, -0.0007728900000000, 0.0002837300000000 ] - [ 0.0000000000000000, -0.0003067500000000, 0.0000561400000000 ] - [ 0.0008798800000000, 0.0014199800000000, -0.0002314700000000 ] - [ -0.0008798800000000, 0.0014199800000000, -0.0002314700000000 ] - [ -0.0005937600000000, -0.0018025700000000, 0.0001260000000000 ] - [ 0.0005937600000000, -0.0018025700000000, 0.0001260000000000 ] - [ -0.0001339300000000, 0.0007153700000000, -0.0001181500000000 ] - [ 0.0001339300000000, 0.0007153700000000, -0.0001181500000000 ] - [ 0.0000447700000000, -0.0004426300000000, -0.0000368200000000 ] - [ -0.0000447700000000, -0.0004426300000000, -0.0000368200000000 ] - [ -0.0006259000000000, -0.0000739100000000, 0.0009342300000000 ] - [ 0.0006259000000000, -0.0000739100000000, 0.0009342300000000 ] - [ 0.0005559500000000, 0.0003437600000000, -0.0006169700000000 ] - [ -0.0005559500000000, 0.0003437600000000, -0.0006169700000000 ] - [ -0.0002559200000000, -0.0000767300000000, -0.0004468300000000 ] - [ 0.0002559200000000, -0.0000767300000000, -0.0004468300000000 ] - [ 0.0007205000000000, 0.0003451300000000, 0.0004945800000000 ] - [ -0.0007205000000000, 0.0003451300000000, 0.0004945800000000 ] - [ -0.0004685600000000, 0.0014644600000000, 0.0013764500000000 ] - [ -0.0002311300000000, 0.0000690300000000, -0.0000907000000000 ] - [ -0.0003448400000000, -0.0009760500000000, -0.0002660700000000 ] - [ -0.0002939200000000, -0.0004714700000000, -0.0000987400000000 ] - [ -0.0026145000000000, 0.0071710500000000, -0.0073058800000000 ] - [ -0.0001863000000000, 0.0000361200000000, -0.0001228000000000 ] - [ -0.0003982500000000, -0.0022667600000000, -0.0002210200000000 ] - [ -0.0003574000000000, -0.0004555500000000, -0.0001484100000000 ] - [ -0.0050458500000000, -0.0030389000000000, 0.0013193000000000 ] - [ 0.0015781800000000, 0.0003670100000000, -0.0001177100000000 ] - [ 0.0036670100000000, -0.0013971100000000, -0.0011293100000000 ] - [ -0.0007089900000000, 0.0001002300000000, -0.0000656900000000 ] - [ 0.0001818900000000, 0.0000868800000000, -0.0001716300000000 ] - [ 0.0004170600000000, 0.0002479800000000, -0.0001408700000000 ] - [ 0.0009822800000000, 0.0001953700000000, 0.0002324900000000 ] - [ -0.0000563200000000, 0.0001950900000000, 0.0000114300000000 ] - [ -0.0015781800000000, 0.0003670100000000, -0.0001177100000000 ] - [ 0.0050458500000000, -0.0030389000000000, 0.0013193000000000 ] - [ 0.0007089900000000, 0.0001002300000000, -0.0000656900000000 ] - [ -0.0036670100000000, -0.0013971100000000, -0.0011293100000000 ] - [ -0.0004170600000000, 0.0002479800000000, -0.0001408700000000 ] - [ -0.0001818900000000, 0.0000868800000000, -0.0001716300000000 ] - [ 0.0000563200000000, 0.0001950900000000, 0.0000114300000000 ] - [ -0.0009822800000000, 0.0001953700000000, 0.0002324900000000 ] - [ 0.0002311300000000, 0.0000690300000000, -0.0000907000000000 ] - [ 0.0004685600000000, 0.0014644600000000, 0.0013764500000000 ] - [ 0.0002939200000000, -0.0004714700000000, -0.0000987400000000 ] - [ 0.0003448400000000, -0.0009760500000000, -0.0002660700000000 ] - [ 0.0001863000000000, 0.0000361200000000, -0.0001228000000000 ] - [ 0.0026145000000000, 0.0071710500000000, -0.0073058800000000 ] - [ 0.0003574000000000, -0.0004555500000000, -0.0001484100000000 ] - [ 0.0003982500000000, -0.0022667600000000, -0.0002210200000000 ] - [ 0.0000000000000000, 0.0048863500000000, -0.0021068900000000 ] - [ 0.0000000000000000, -0.0000708400000000, -0.0000740800000000 ] - [ 0.0000000000000000, -0.0064290700000000, 0.0002379400000000 ] - [ 0.0000000000000000, -0.0001401500000000, 0.0000008300000000 ] - [ 0.0000000000000000, 0.0000388200000000, 0.0001830700000000 ] - [ 0.0000000000000000, -0.0001087900000000, -0.0000335500000000 ] - [ 0.0000000000000000, -0.0001463700000000, -0.0016520600000000 ] - [ 0.0000000000000000, -0.0001321000000000, -0.0000291000000000 ] - [ 0.0000692400000000, -0.0002912000000000, 0.0000135900000000 ] - [ -0.0000692400000000, -0.0002912000000000, 0.0000135900000000 ] - [ -0.0000534700000000, 0.0005032600000000, -0.0001371400000000 ] - [ 0.0000534700000000, 0.0005032600000000, -0.0001371400000000 ] - [ 0.0001835600000000, -0.0006855500000000, -0.0002217800000000 ] - [ -0.0001835600000000, -0.0006855500000000, -0.0002217800000000 ] - [ -0.0001220100000000, 0.0006267100000000, 0.0000597800000000 ] - [ 0.0001220100000000, 0.0006267100000000, 0.0000597800000000 ] - [ 0.0031106000000000, 0.0010633900000000, -0.0014499400000000 ] - [ -0.0031106000000000, 0.0010633900000000, -0.0014499400000000 ] - [ -0.0035636600000000, -0.0018372200000000, 0.0015155200000000 ] - [ 0.0035636600000000, -0.0018372200000000, 0.0015155200000000 ] - [ 0.0002234600000000, -0.0000855300000000, 0.0005093200000000 ] - [ -0.0002234600000000, -0.0000855300000000, 0.0005093200000000 ] - [ -0.0008869400000000, -0.0015085900000000, -0.0003309900000000 ] - [ 0.0008869400000000, -0.0015085900000000, -0.0003309900000000 ] - [ 0.0000000000000000, -0.0454346400000000, 0.0243323400000000 ] - [ 0.0000000000000000, 0.0000617900000000, 0.0001584800000000 ] - [ 0.0000000000000000, 0.0052982000000000, 0.0002782900000000 ] - [ 0.0000000000000000, 0.0010594800000000, 0.0002976600000000 ] - [ 0.0000000000000000, -0.0033135300000000, -0.0002462100000000 ] - [ 0.0000000000000000, 0.0001861000000000, 0.0001687400000000 ] - [ 0.0000000000000000, 0.0022646400000000, -0.0000330500000000 ] - [ 0.0000000000000000, 0.0009588300000000, 0.0001128200000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0012730000000000, -0.0001202100000000, 0.0064983800000000 ] - [ -0.0004497100000000, 0.0003017800000000, 0.0000971500000000 ] - [ -0.0002532800000000, -0.0000141800000000, 0.0003650400000000 ] - [ -0.0002572800000000, 0.0001505200000000, 0.0000452300000000 ] - [ -0.0003800400000000, 0.0003234400000000, -0.0047636100000000 ] - [ 0.0002825300000000, 0.0001617400000000, -0.0000948300000000 ] - [ -0.0000641500000000, 0.0004169800000000, -0.0004943700000000 ] - [ 0.0001050900000000, 0.0002722900000000, -0.0000055300000000 ] - [ 0.0000868700000000, -0.0002066000000000, -0.0002960300000000 ] - [ -0.0006914500000000, 0.0011067400000000, -0.0011539400000000 ] - [ 0.0000781700000000, -0.0002671100000000, -0.0003349900000000 ] - [ -0.0009452100000000, -0.0010391300000000, -0.0008462700000000 ] - [ -0.0002899000000000, -0.0002479100000000, 0.0004397800000000 ] - [ 0.0008565900000000, -0.0031094600000000, 0.0021606300000000 ] - [ -0.0002472700000000, -0.0001468100000000, 0.0004587600000000 ] - [ 0.0025134400000000, 0.0013310500000000, 0.0016902500000000 ] - [ 0.0004497100000000, 0.0003017800000000, 0.0000971500000000 ] - [ 0.0012730000000000, -0.0001202100000000, 0.0064983800000000 ] - [ 0.0002572800000000, 0.0001505200000000, 0.0000452300000000 ] - [ 0.0002532800000000, -0.0000141800000000, 0.0003650400000000 ] - [ -0.0002825300000000, 0.0001617400000000, -0.0000948300000000 ] - [ 0.0003800400000000, 0.0003234400000000, -0.0047636100000000 ] - [ -0.0001050900000000, 0.0002722900000000, -0.0000055300000000 ] - [ 0.0000641500000000, 0.0004169800000000, -0.0004943700000000 ] - [ 0.0006914500000000, 0.0011067400000000, -0.0011539400000000 ] - [ -0.0000868700000000, -0.0002066000000000, -0.0002960300000000 ] - [ 0.0009452100000000, -0.0010391300000000, -0.0008462700000000 ] - [ -0.0000781700000000, -0.0002671100000000, -0.0003349900000000 ] - [ -0.0008565900000000, -0.0031094600000000, 0.0021606300000000 ] - [ 0.0002899000000000, -0.0002479100000000, 0.0004397800000000 ] - [ -0.0025134400000000, 0.0013310500000000, 0.0016902500000000 ] - [ 0.0002472700000000, -0.0001468100000000, 0.0004587600000000 ] - [ 0.0000000000000000, -0.0013690500000000, 0.0010051200000000 ] - [ 0.0000000000000000, -0.0000149100000000, 0.0002237900000000 ] - [ 0.0000000000000000, 0.0017321400000000, 0.0046855700000000 ] - [ 0.0000000000000000, 0.0000480900000000, 0.0002695300000000 ] - [ 0.0000000000000000, 0.0014724600000000, -0.0011144100000000 ] - [ 0.0000000000000000, 0.0000185700000000, -0.0002542500000000 ] - [ 0.0000000000000000, -0.0139563800000000, 0.0079192500000000 ] - [ 0.0000000000000000, -0.0000708300000000, -0.0003009900000000 ] - [ 0.0000000000000000, 0.0344541400000000, -0.3000988400000000 ] - [ 0.0000000000000000, -0.0001562900000000, -0.0005168500000000 ] - [ 0.0000000000000000, -0.0001177900000000, -0.0017487800000000 ] - [ 0.0000000000000000, -0.0001101400000000, -0.0003379300000000 ] - [ 0.0000000000000000, -0.0003802400000000, 0.0068360500000000 ] - [ 0.0000000000000000, -0.0001583400000000, 0.0004588500000000 ] - [ 0.0000000000000000, -0.0004338500000000, 0.0013776600000000 ] - [ 0.0000000000000000, -0.0002077700000000, 0.0003244400000000 ] - [ -0.0019686500000000, 0.0007568500000000, -0.0009955400000000 ] - [ 0.0019686500000000, 0.0007568500000000, -0.0009955400000000 ] - [ -0.0002990100000000, -0.0005610300000000, -0.0001563000000000 ] - [ 0.0002990100000000, -0.0005610300000000, -0.0001563000000000 ] - [ 0.0008686500000000, -0.0006399600000000, 0.0014664600000000 ] - [ -0.0008686500000000, -0.0006399600000000, 0.0014664600000000 ] - [ 0.0001348000000000, 0.0002156500000000, 0.0003833600000000 ] - [ -0.0001348000000000, 0.0002156500000000, 0.0003833600000000 ] - [ -0.0006008000000000, -0.0002976900000000, 0.0002470500000000 ] - [ 0.0006008000000000, -0.0002976900000000, 0.0002470500000000 ] - [ -0.0006319900000000, 0.0006449500000000, 0.0002350200000000 ] - [ 0.0006319900000000, 0.0006449500000000, 0.0002350200000000 ] - [ 0.0009762200000000, 0.0010931900000000, 0.0002386800000000 ] - [ -0.0009762200000000, 0.0010931900000000, 0.0002386800000000 ] - [ 0.0010993000000000, -0.0004670600000000, 0.0002263500000000 ] - [ -0.0010993000000000, -0.0004670600000000, 0.0002263500000000 ] - [ -0.0029125800000000, -0.0012538400000000, 0.0087230400000000 ] - [ -0.0000095700000000, -0.0001785300000000, 0.0002214500000000 ] - [ -0.0004112600000000, -0.0000347300000000, 0.0002488200000000 ] - [ -0.0001379500000000, -0.0001755500000000, 0.0001325800000000 ] - [ 0.0113505900000000, 0.0037433400000000, 0.0145988600000000 ] - [ -0.0006270700000000, -0.0002532100000000, -0.0004427900000000 ] - [ 0.0002091100000000, -0.0011262800000000, -0.0005439100000000 ] - [ -0.0004228600000000, -0.0002421600000000, -0.0003624700000000 ] - [ -0.0018652900000000, -0.0016301100000000, -0.0018939000000000 ] - [ 0.0010139400000000, 0.0002618000000000, -0.0004466400000000 ] - [ -0.0005018400000000, 0.0015188900000000, -0.0016726400000000 ] - [ 0.0008592300000000, 0.0006200800000000, -0.0005032100000000 ] - [ 0.0006411100000000, 0.0008172500000000, 0.0018133500000000 ] - [ -0.0001018000000000, 0.0001706100000000, 0.0003313600000000 ] - [ 0.0003698300000000, -0.0000412700000000, 0.0012022700000000 ] - [ -0.0001737100000000, -0.0001203800000000, 0.0003457800000000 ] - [ -0.0010139400000000, 0.0002618000000000, -0.0004466400000000 ] - [ 0.0018652900000000, -0.0016301100000000, -0.0018939000000000 ] - [ -0.0008592300000000, 0.0006200800000000, -0.0005032100000000 ] - [ 0.0005018400000000, 0.0015188900000000, -0.0016726400000000 ] - [ 0.0001018000000000, 0.0001706100000000, 0.0003313600000000 ] - [ -0.0006411100000000, 0.0008172500000000, 0.0018133500000000 ] - [ 0.0001737100000000, -0.0001203800000000, 0.0003457800000000 ] - [ -0.0003698300000000, -0.0000412700000000, 0.0012022700000000 ] - [ 0.0000095700000000, -0.0001785300000000, 0.0002214500000000 ] - [ 0.0029125800000000, -0.0012538400000000, 0.0087230400000000 ] - [ 0.0001379500000000, -0.0001755500000000, 0.0001325800000000 ] - [ 0.0004112600000000, -0.0000347300000000, 0.0002488200000000 ] - [ 0.0006270700000000, -0.0002532100000000, -0.0004427900000000 ] - [ -0.0113505900000000, 0.0037433400000000, 0.0145988600000000 ] - [ 0.0004228600000000, -0.0002421600000000, -0.0003624700000000 ] - [ -0.0002091100000000, -0.0011262800000000, -0.0005439100000000 ] - [ 0.0000000000000000, 0.0039631300000000, 0.0012085500000000 ] - [ 0.0000000000000000, -0.0000733400000000, 0.0000160800000000 ] - [ 0.0000000000000000, -0.0014797700000000, 0.0037401600000000 ] - [ 0.0000000000000000, -0.0001191500000000, 0.0000203300000000 ] - [ 0.0000000000000000, -0.0010438700000000, -0.0015499100000000 ] - [ 0.0000000000000000, -0.0001540300000000, -0.0001051500000000 ] - [ 0.0000000000000000, 0.0003995400000000, -0.0033632900000000 ] - [ 0.0000000000000000, -0.0001197900000000, -0.0001038300000000 ] - [ 0.0010927000000000, -0.0000159000000000, -0.0009111700000000 ] - [ -0.0010927000000000, -0.0000159000000000, -0.0009111700000000 ] - [ 0.0001173300000000, 0.0001353600000000, -0.0004140300000000 ] - [ -0.0001173300000000, 0.0001353600000000, -0.0004140300000000 ] - [ -0.0021670500000000, 0.0005404800000000, 0.0013980000000000 ] - [ 0.0021670500000000, 0.0005404800000000, 0.0013980000000000 ] - [ -0.0002397300000000, 0.0001064400000000, 0.0004230000000000 ] - [ 0.0002397300000000, 0.0001064400000000, 0.0004230000000000 ] - [ 0.0015809800000000, 0.0003704000000000, 0.0000034000000000 ] - [ -0.0015809800000000, 0.0003704000000000, 0.0000034000000000 ] - [ 0.0018941900000000, -0.0023033900000000, 0.0005116000000000 ] - [ -0.0018941900000000, -0.0023033900000000, 0.0005116000000000 ] - [ -0.0009898100000000, -0.0013165600000000, -0.0011061700000000 ] - [ 0.0009898100000000, -0.0013165600000000, -0.0011061700000000 ] - [ -0.0009805000000000, 0.0005986800000000, -0.0012464100000000 ] - [ 0.0009805000000000, 0.0005986800000000, -0.0012464100000000 ] - [ 0.0000000000000000, -0.0255768300000000, 0.2426160200000000 ] - [ 0.0000000000000000, 0.0007837500000000, 0.0011201400000000 ] - [ 0.0000000000000000, 0.0008908600000000, 0.0025520800000000 ] - [ 0.0000000000000000, 0.0005780100000000, 0.0007893100000000 ] - [ 0.0000000000000000, -0.0007836800000000, -0.0150007300000000 ] - [ 0.0000000000000000, 0.0004235100000000, -0.0005832600000000 ] - [ 0.0000000000000000, 0.0012921100000000, -0.0013706300000000 ] - [ 0.0000000000000000, 0.0005708100000000, -0.0003559100000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0013449700000000, 0.0006078600000000, -0.0064911400000000 ] - [ 0.0003156500000000, 0.0001287700000000, -0.0000285800000000 ] - [ 0.0001187800000000, 0.0004457700000000, -0.0003004700000000 ] - [ 0.0001233900000000, 0.0002793500000000, 0.0000210600000000 ] - [ 0.0002480900000000, 0.0001171300000000, 0.0048110400000000 ] - [ -0.0004088700000000, 0.0002678100000000, 0.0001628400000000 ] - [ -0.0000664200000000, 0.0000118000000000, 0.0005647800000000 ] - [ -0.0002329400000000, 0.0001570300000000, 0.0000739000000000 ] - [ -0.0002169600000000, -0.0002314700000000, 0.0003599900000000 ] - [ 0.0005642700000000, -0.0015427800000000, 0.0012176400000000 ] - [ -0.0002082600000000, -0.0001647200000000, 0.0004009000000000 ] - [ 0.0008186300000000, 0.0006076600000000, 0.0009077300000000 ] - [ 0.0001580100000000, -0.0001858100000000, -0.0003670300000000 ] - [ -0.0009967000000000, 0.0026638000000000, -0.0020586100000000 ] - [ 0.0001168500000000, -0.0002798400000000, -0.0003830600000000 ] - [ -0.0026295100000000, -0.0017595800000000, -0.0016010800000000 ] - [ -0.0003156500000000, 0.0001287700000000, -0.0000285800000000 ] - [ -0.0013449700000000, 0.0006078600000000, -0.0064911400000000 ] - [ -0.0001233900000000, 0.0002793500000000, 0.0000210600000000 ] - [ -0.0001187800000000, 0.0004457700000000, -0.0003004700000000 ] - [ 0.0004088700000000, 0.0002678100000000, 0.0001628400000000 ] - [ -0.0002480900000000, 0.0001171300000000, 0.0048110400000000 ] - [ 0.0002329400000000, 0.0001570300000000, 0.0000739000000000 ] - [ 0.0000664200000000, 0.0000118000000000, 0.0005647800000000 ] - [ -0.0005642700000000, -0.0015427800000000, 0.0012176400000000 ] - [ 0.0002169600000000, -0.0002314700000000, 0.0003599900000000 ] - [ -0.0008186300000000, 0.0006076600000000, 0.0009077300000000 ] - [ 0.0002082600000000, -0.0001647200000000, 0.0004009000000000 ] - [ 0.0009967000000000, 0.0026638000000000, -0.0020586100000000 ] - [ -0.0001580100000000, -0.0001858100000000, -0.0003670300000000 ] - [ 0.0026295100000000, -0.0017595800000000, -0.0016010800000000 ] - [ -0.0001168500000000, -0.0002798400000000, -0.0003830600000000 ] - [ 0.0000000000000000, 0.0013821500000000, -0.0010058700000000 ] - [ 0.0000000000000000, 0.0000268700000000, -0.0002275900000000 ] - [ 0.0000000000000000, -0.0017335800000000, -0.0047014900000000 ] - [ 0.0000000000000000, -0.0000408500000000, -0.0002742600000000 ] - [ 0.0000000000000000, -0.0014666900000000, 0.0010906000000000 ] - [ 0.0000000000000000, -0.0000083300000000, 0.0002439400000000 ] - [ 0.0000000000000000, 0.0136119300000000, -0.0077783500000000 ] - [ 0.0000000000000000, 0.0000784700000000, 0.0002907500000000 ] - [ 0.0000000000000000, -0.0326327100000000, 0.2850916700000000 ] - [ 0.0000000000000000, -0.0001622100000000, 0.0005321100000000 ] - [ 0.0000000000000000, -0.0002003800000000, 0.0017544700000000 ] - [ 0.0000000000000000, -0.0002070000000000, 0.0003522500000000 ] - [ 0.0000000000000000, 0.0000622800000000, -0.0068027300000000 ] - [ 0.0000000000000000, -0.0001601800000000, -0.0004371000000000 ] - [ 0.0000000000000000, 0.0001148100000000, -0.0013538300000000 ] - [ 0.0000000000000000, -0.0001138300000000, -0.0002979800000000 ] - [ 0.0019425700000000, -0.0007572600000000, 0.0009974200000000 ] - [ -0.0019425700000000, -0.0007572600000000, 0.0009974200000000 ] - [ 0.0002917200000000, 0.0005479500000000, 0.0001508800000000 ] - [ -0.0002917200000000, 0.0005479500000000, 0.0001508800000000 ] - [ -0.0008595800000000, 0.0006233000000000, -0.0014657800000000 ] - [ 0.0008595800000000, 0.0006233000000000, -0.0014657800000000 ] - [ -0.0001385500000000, -0.0002221100000000, -0.0003876000000000 ] - [ 0.0001385500000000, -0.0002221100000000, -0.0003876000000000 ] - [ 0.0005963000000000, 0.0006181200000000, -0.0002156200000000 ] - [ -0.0005963000000000, 0.0006181200000000, -0.0002156200000000 ] - [ 0.0006376300000000, -0.0003227600000000, -0.0002020800000000 ] - [ -0.0006376300000000, -0.0003227600000000, -0.0002020800000000 ] - [ -0.0009673100000000, -0.0007638600000000, -0.0002233300000000 ] - [ 0.0009673100000000, -0.0007638600000000, -0.0002233300000000 ] - [ -0.0010923700000000, 0.0007802400000000, -0.0002141700000000 ] - [ 0.0010923700000000, 0.0007802400000000, -0.0002141700000000 ] - [ 0.0024246600000000, 0.0008578700000000, -0.0089947900000000 ] - [ -0.0005267700000000, -0.0002397900000000, -0.0004417600000000 ] - [ -0.0001242900000000, -0.0003873200000000, -0.0004634500000000 ] - [ -0.0003978300000000, -0.0002399300000000, -0.0003523300000000 ] - [ -0.0115617200000000, -0.0040389700000000, -0.0144773800000000 ] - [ 0.0000865900000000, -0.0001642100000000, 0.0002146800000000 ] - [ -0.0007427900000000, 0.0007000100000000, 0.0003158100000000 ] - [ -0.0001157200000000, -0.0001744200000000, 0.0001290400000000 ] - [ 0.0023597500000000, 0.0020154800000000, 0.0016815200000000 ] - [ -0.0004669300000000, 0.0001576500000000, 0.0002218200000000 ] - [ 0.0010227900000000, -0.0010840200000000, 0.0014505800000000 ] - [ -0.0003143300000000, -0.0002000900000000, 0.0002776300000000 ] - [ -0.0000975600000000, -0.0003896600000000, -0.0020291900000000 ] - [ 0.0006362000000000, 0.0002485300000000, -0.0005542000000000 ] - [ 0.0001722700000000, 0.0004536300000000, -0.0014286100000000 ] - [ 0.0007065200000000, 0.0005409600000000, -0.0005637400000000 ] - [ 0.0004669300000000, 0.0001576500000000, 0.0002218200000000 ] - [ -0.0023597500000000, 0.0020154800000000, 0.0016815200000000 ] - [ 0.0003143300000000, -0.0002000900000000, 0.0002776300000000 ] - [ -0.0010227900000000, -0.0010840200000000, 0.0014505800000000 ] - [ -0.0006362000000000, 0.0002485300000000, -0.0005542000000000 ] - [ 0.0000975600000000, -0.0003896600000000, -0.0020291900000000 ] - [ -0.0007065200000000, 0.0005409600000000, -0.0005637400000000 ] - [ -0.0001722700000000, 0.0004536300000000, -0.0014286100000000 ] - [ 0.0005267700000000, -0.0002397900000000, -0.0004417600000000 ] - [ -0.0024246600000000, 0.0008578700000000, -0.0089947900000000 ] - [ 0.0003978300000000, -0.0002399300000000, -0.0003523300000000 ] - [ 0.0001242900000000, -0.0003873200000000, -0.0004634500000000 ] - [ -0.0000865900000000, -0.0001642100000000, 0.0002146800000000 ] - [ 0.0115617200000000, -0.0040389700000000, -0.0144773800000000 ] - [ 0.0001157200000000, -0.0001744200000000, 0.0001290400000000 ] - [ 0.0007427900000000, 0.0007000100000000, 0.0003158100000000 ] - [ 0.0000000000000000, -0.0041611600000000, -0.0013024800000000 ] - [ 0.0000000000000000, -0.0001600700000000, -0.0000818800000000 ] - [ 0.0000000000000000, 0.0011633800000000, -0.0038201800000000 ] - [ 0.0000000000000000, -0.0001157300000000, -0.0000869000000000 ] - [ 0.0000000000000000, 0.0007996900000000, 0.0014787300000000 ] - [ 0.0000000000000000, -0.0000813700000000, 0.0000395500000000 ] - [ 0.0000000000000000, -0.0006283300000000, 0.0032855700000000 ] - [ 0.0000000000000000, -0.0001134200000000, 0.0000390600000000 ] - [ -0.0010943100000000, 0.0002502500000000, 0.0008377900000000 ] - [ 0.0010943100000000, 0.0002502500000000, 0.0008377900000000 ] - [ -0.0001175700000000, 0.0000997200000000, 0.0003445100000000 ] - [ 0.0001175700000000, 0.0000997200000000, 0.0003445100000000 ] - [ 0.0021615200000000, -0.0003014100000000, -0.0014441600000000 ] - [ -0.0021615200000000, -0.0003014100000000, -0.0014441600000000 ] - [ 0.0002388600000000, 0.0001275600000000, -0.0004846700000000 ] - [ -0.0002388600000000, 0.0001275600000000, -0.0004846700000000 ] - [ -0.0015561800000000, -0.0015049700000000, 0.0003455700000000 ] - [ 0.0015561800000000, -0.0015049700000000, 0.0003455700000000 ] - [ -0.0018747600000000, 0.0011474000000000, -0.0001662500000000 ] - [ 0.0018747600000000, 0.0011474000000000, -0.0001662500000000 ] - [ 0.0009767100000000, 0.0001645100000000, 0.0014646000000000 ] - [ -0.0009767100000000, 0.0001645100000000, 0.0014646000000000 ] - [ 0.0009686800000000, -0.0017276200000000, 0.0016082900000000 ] - [ -0.0009686800000000, -0.0017276200000000, 0.0016082900000000 ] - [ 0.0000000000000000, 0.0246206100000000, -0.2278842900000000 ] - [ 0.0000000000000000, 0.0003625900000000, -0.0007481200000000 ] - [ 0.0000000000000000, 0.0002679800000000, -0.0021717700000000 ] - [ 0.0000000000000000, 0.0005654000000000, -0.0004196900000000 ] - [ 0.0000000000000000, 0.0019111200000000, 0.0153763300000000 ] - [ 0.0000000000000000, 0.0007203800000000, 0.0009406500000000 ] - [ 0.0000000000000000, -0.0001488100000000, 0.0017229600000000 ] - [ 0.0000000000000000, 0.0005718500000000, 0.0007138900000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0058761400000000, 0.0003175000000000, 0.0005071300000000 ] - [ -0.0011200100000000, 0.0002368200000000, 0.0000130100000000 ] - [ 0.0010439000000000, 0.0001875000000000, 0.0003950200000000 ] - [ -0.0007597200000000, 0.0000870500000000, -0.0000309800000000 ] - [ 0.0034575600000000, 0.0009581900000000, 0.0023347700000000 ] - [ -0.0009891100000000, 0.0002300300000000, -0.0001048300000000 ] - [ 0.0007900400000000, 0.0000872400000000, -0.0000181200000000 ] - [ -0.0006999100000000, 0.0000861200000000, -0.0000606700000000 ] - [ -0.0015991700000000, -0.0005783800000000, 0.0004112800000000 ] - [ -0.0005540200000000, 0.0037159300000000, -0.0009673700000000 ] - [ -0.0009266000000000, 0.0001269800000000, 0.0003372100000000 ] - [ -0.0018187000000000, -0.0018308300000000, -0.0001453200000000 ] - [ -0.0005906700000000, -0.0002610300000000, -0.0003314500000000 ] - [ 0.0002028400000000, 0.0001437900000000, 0.0001403800000000 ] - [ -0.0005070400000000, -0.0001056100000000, -0.0003540600000000 ] - [ 0.0000879900000000, -0.0004870500000000, 0.0000952700000000 ] - [ -0.0014698500000000, 0.0001002400000000, -0.0003622300000000 ] - [ -0.0005102700000000, 0.0003486000000000, 0.0040144700000000 ] - [ -0.0006248900000000, 0.0003334600000000, 0.0000344900000000 ] - [ 0.0003194000000000, -0.0000039500000000, 0.0003170600000000 ] - [ -0.0006644600000000, 0.0002229600000000, 0.0004388300000000 ] - [ -0.0016579200000000, 0.0009995700000000, -0.0016421500000000 ] - [ -0.0003105900000000, 0.0002330800000000, 0.0001422100000000 ] - [ 0.0002228600000000, -0.0000408000000000, -0.0002419000000000 ] - [ 0.0063992000000000, -0.0000617100000000, 0.0001083800000000 ] - [ -0.0009755800000000, -0.0002241400000000, 0.0000526600000000 ] - [ 0.0034720200000000, 0.0008749900000000, 0.0002887900000000 ] - [ -0.0008844500000000, -0.0003366900000000, 0.0000668400000000 ] - [ 0.0010695400000000, 0.0001221300000000, -0.0006133900000000 ] - [ -0.0005906800000000, -0.0002590700000000, 0.0001565500000000 ] - [ 0.0010405300000000, -0.0003044400000000, -0.0004200900000000 ] - [ -0.0006214900000000, -0.0002995000000000, 0.0001624400000000 ] - [ -0.0021381100000000, -0.0021892200000000, 0.0002144400000000 ] - [ 0.0011953100000000, 0.0001983100000000, -0.0001119500000000 ] - [ -0.0019054100000000, 0.0109823600000000, 0.0013175900000000 ] - [ 0.0013247700000000, -0.0003179600000000, -0.0001341900000000 ] - [ -0.0010310500000000, -0.0001008800000000, 0.0001304800000000 ] - [ 0.0008271700000000, 0.0000859700000000, 0.0000709500000000 ] - [ -0.0009578800000000, 0.0005921200000000, 0.0002847700000000 ] - [ 0.0008640200000000, -0.0000995600000000, 0.0001087700000000 ] - [ -0.0021653700000000, 0.0000450800000000, -0.0026766800000000 ] - [ 0.0012330500000000, -0.0002001200000000, 0.0002642000000000 ] - [ -0.0009992600000000, -0.0000857100000000, -0.0001404600000000 ] - [ 0.0009107800000000, -0.0001342200000000, 0.0001330500000000 ] - [ -0.0014611500000000, 0.0021676600000000, 0.0113628400000000 ] - [ 0.0012533500000000, -0.0002404900000000, -0.0003542400000000 ] - [ -0.0009345000000000, -0.0000328000000000, 0.0004820100000000 ] - [ 0.0008271500000000, -0.0000727200000000, -0.0001490400000000 ] - [ 0.0030094000000000, -0.0037239200000000, 0.0046009700000000 ] - [ 0.0014900000000000, 0.0009029000000000, -0.0011536200000000 ] - [ -0.0001217400000000, 0.0014682500000000, 0.0009281700000000 ] - [ 0.0004633100000000, -0.0004857600000000, -0.0003536500000000 ] - [ 0.0003682100000000, -0.0019932900000000, -0.0026907700000000 ] - [ 0.0014398300000000, 0.0006232900000000, 0.0008988600000000 ] - [ 0.0000124600000000, 0.0008466400000000, -0.0001559000000000 ] - [ 0.0006207700000000, -0.0003999400000000, 0.0001675800000000 ] - [ 0.0033216100000000, 0.0055144700000000, 0.0021166300000000 ] - [ 0.0015345800000000, -0.0011444300000000, -0.0007324300000000 ] - [ 0.0007621300000000, -0.0032304300000000, 0.0007675600000000 ] - [ 0.0013815300000000, 0.0011321000000000, -0.0005840000000000 ] - [ 0.0001420400000000, 0.0002448600000000, -0.0003661000000000 ] - [ 0.0006331000000000, 0.0000145800000000, 0.0003707900000000 ] - [ -0.0004893900000000, -0.0005501500000000, -0.0000948300000000 ] - [ 0.0005425500000000, 0.0004863400000000, 0.0004440700000000 ] - [ -0.2368440300000000, -0.0874762100000000, -0.0795204100000000 ] - [ 0.0021340200000000, 0.0000811900000000, 0.0001507100000000 ] - [ -0.0024359900000000, -0.0000446400000000, -0.0006442400000000 ] - [ 0.0010654000000000, 0.0001071500000000, 0.0001046000000000 ] - [ -0.0025550200000000, -0.0009802200000000, 0.0001366100000000 ] - [ 0.0010261800000000, 0.0000164000000000, 0.0001579900000000 ] - [ -0.0014561700000000, -0.0003130400000000, -0.0001112100000000 ] - [ 0.0007612300000000, 0.0000671400000000, 0.0000941400000000 ] - [ -0.0004019900000000, 0.0022254100000000, 0.0032764100000000 ] - [ 0.0015235900000000, 0.0003489100000000, -0.0005427200000000 ] - [ -0.0017732400000000, -0.0010196600000000, 0.0005774100000000 ] - [ 0.0015618900000000, 0.0007796200000000, -0.0005590900000000 ] - [ -0.0004018200000000, 0.0024638100000000, -0.0034483700000000 ] - [ 0.0015243000000000, 0.0002369300000000, -0.0000899600000000 ] - [ -0.0017725000000000, -0.0004835300000000, 0.0000401300000000 ] - [ 0.0015629100000000, 0.0006432000000000, -0.0002361200000000 ] - [ 0.0009571900000000, 0.0003499600000000, 0.0010086800000000 ] - [ 0.0004037600000000, -0.0008765100000000, -0.0011075800000000 ] - [ 0.0008680000000000, -0.0010506000000000, 0.0006238000000000 ] - [ -0.0000615000000000, 0.0007206700000000, -0.0006462100000000 ] - [ 0.0003975700000000, 0.0006740900000000, -0.0007785000000000 ] - [ 0.0009621500000000, -0.0013233700000000, 0.0012238600000000 ] - [ -0.0000657600000000, -0.0003676100000000, -0.0003252900000000 ] - [ 0.0008715500000000, 0.0008826200000000, 0.0007732300000000 ] - [ 0.0036774000000000, -0.0006651400000000, -0.0006116500000000 ] - [ 0.0224636700000000, 0.0014130300000000, 0.0015820200000000 ] - [ 0.0015466100000000, -0.0003959300000000, -0.0004827800000000 ] - [ -0.0002491700000000, 0.0007133400000000, -0.0000608100000000 ] - [ 0.0013908700000000, -0.0004329300000000, -0.0001580000000000 ] - [ -0.0001722800000000, -0.0003154900000000, 0.0007666200000000 ] - [ 0.0010905100000000, -0.0003897100000000, -0.0001247400000000 ] - [ -0.0004817500000000, 0.0001580200000000, 0.0001449200000000 ] - [ 0.0018885100000000, 0.0007087500000000, 0.0007705700000000 ] - [ -0.0009723500000000, -0.0002009400000000, -0.0001152500000000 ] - [ 0.0015002800000000, -0.0006601600000000, 0.0012434700000000 ] - [ -0.0009761500000000, -0.0000394700000000, -0.0001000500000000 ] - [ 0.0011721000000000, 0.0007041000000000, -0.0004439100000000 ] - [ -0.0007297300000000, -0.0001651700000000, 0.0000165700000000 ] - [ 0.0009719400000000, -0.0015268900000000, -0.0012217300000000 ] - [ -0.0006862700000000, -0.0000360800000000, 0.0000111300000000 ] - [ 0.0171720200000000, -0.0046604400000000, -0.0041116700000000 ] - [ -0.0030064300000000, -0.0004045900000000, -0.0005378600000000 ] - [ 0.0003756000000000, -0.0003930900000000, 0.0003013300000000 ] - [ -0.0004487700000000, 0.0001665100000000, -0.0000719900000000 ] - [ 0.0003700600000000, 0.0000524500000000, -0.0006776900000000 ] - [ -0.0004921400000000, 0.0001819100000000, 0.0000409000000000 ] - [ 0.0001554600000000, -0.0000428300000000, -0.0003395200000000 ] - [ -0.0002149200000000, 0.0001345600000000, 0.0000269200000000 ] - [ -0.0017417600000000, -0.0036230100000000, -0.0047414900000000 ] - [ -0.0019771900000000, 0.0004380800000000, 0.0016831000000000 ] - [ 0.0001792500000000, 0.0055150100000000, -0.0023768400000000 ] - [ -0.0017452800000000, -0.0023075600000000, 0.0015273800000000 ] - [ -0.0013219000000000, -0.0020349400000000, 0.0015405200000000 ] - [ -0.0022127200000000, 0.0001862500000000, -0.0006052800000000 ] - [ 0.0013694700000000, 0.0025803100000000, 0.0008454400000000 ] - [ -0.0021021300000000, -0.0016476400000000, -0.0006755200000000 ] - [ 0.0027889100000000, 0.0006141200000000, -0.0002522400000000 ] - [ -0.0022011900000000, 0.0006710700000000, -0.0001578700000000 ] - [ 0.0018661100000000, 0.0004431200000000, 0.0000759300000000 ] - [ -0.0017188700000000, 0.0004431500000000, -0.0000277000000000 ] - [ 0.1813372200000000, 0.0724561800000000, 0.0663701200000000 ] - [ -0.0040829000000000, 0.0011778300000000, 0.0008444600000000 ] - [ 0.0025459500000000, 0.0002711700000000, -0.0001641300000000 ] - [ -0.0022399500000000, 0.0003290400000000, 0.0004193700000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0060058000000000, 0.0001313600000000, -0.0004414300000000 ] - [ 0.0009940500000000, 0.0001927300000000, 0.0000529900000000 ] - [ -0.0011736300000000, 0.0002417300000000, -0.0003263700000000 ] - [ 0.0006309200000000, 0.0003451500000000, 0.0000971200000000 ] - [ -0.0035856800000000, -0.0005316000000000, -0.0022914300000000 ] - [ 0.0008592900000000, 0.0002015000000000, 0.0001730400000000 ] - [ -0.0009214600000000, 0.0003491400000000, 0.0000838800000000 ] - [ 0.0005703900000000, 0.0003443100000000, 0.0001296000000000 ] - [ 0.0014705100000000, 0.0001395500000000, -0.0003438300000000 ] - [ 0.0004114000000000, -0.0041824600000000, 0.0010474100000000 ] - [ 0.0007991800000000, -0.0005578900000000, -0.0002698900000000 ] - [ 0.0016812800000000, 0.0014008100000000, 0.0002139700000000 ] - [ 0.0004617700000000, -0.0001756100000000, 0.0003973700000000 ] - [ -0.0003368900000000, -0.0005760400000000, -0.0000749700000000 ] - [ 0.0003774200000000, -0.0003279000000000, 0.0004221800000000 ] - [ -0.0002206800000000, 0.0000537200000000, -0.0000284700000000 ] - [ 0.0015943000000000, 0.0003293700000000, 0.0004315200000000 ] - [ 0.0006243800000000, 0.0000856800000000, -0.0039827100000000 ] - [ 0.0007519500000000, 0.0000976100000000, 0.0000363100000000 ] - [ -0.0001996400000000, 0.0004381000000000, -0.0002462900000000 ] - [ 0.0007896900000000, 0.0002074100000000, -0.0003651400000000 ] - [ 0.0017752400000000, -0.0005682100000000, 0.0017241200000000 ] - [ 0.0004368400000000, 0.0001983400000000, -0.0000704800000000 ] - [ -0.0001027900000000, 0.0004706600000000, 0.0003152200000000 ] - [ -0.0062774500000000, -0.0003708100000000, -0.0000221500000000 ] - [ 0.0011036800000000, -0.0002099100000000, 0.0000199800000000 ] - [ -0.0033497700000000, -0.0013189800000000, -0.0002204800000000 ] - [ 0.0010123000000000, -0.0001011300000000, 0.0000034200000000 ] - [ -0.0009454700000000, -0.0005571800000000, 0.0006855400000000 ] - [ 0.0007163600000000, -0.0001757100000000, -0.0000871600000000 ] - [ -0.0009162500000000, -0.0001274800000000, 0.0004944500000000 ] - [ 0.0007457000000000, -0.0001319700000000, -0.0000911100000000 ] - [ 0.0021602500000000, 0.0021780400000000, -0.0002149600000000 ] - [ -0.0011966200000000, -0.0001801700000000, 0.0001053800000000 ] - [ 0.0019635100000000, -0.0111534100000000, -0.0013323100000000 ] - [ -0.0013256500000000, 0.0003265100000000, 0.0001272200000000 ] - [ 0.0010346600000000, 0.0001092600000000, -0.0001373200000000 ] - [ -0.0008299100000000, -0.0000764400000000, -0.0000769300000000 ] - [ 0.0009582900000000, -0.0005742600000000, -0.0002972000000000 ] - [ -0.0008643500000000, 0.0001111200000000, -0.0001140500000000 ] - [ 0.0021917400000000, -0.0003631800000000, 0.0026724400000000 ] - [ -0.0012335300000000, -0.0001216100000000, -0.0002458600000000 ] - [ 0.0010036500000000, -0.0002341200000000, 0.0001491200000000 ] - [ -0.0009131900000000, -0.0001848600000000, -0.0001208100000000 ] - [ 0.0015194400000000, -0.0025108700000000, -0.0115420500000000 ] - [ -0.0012556400000000, -0.0000801900000000, 0.0003627700000000 ] - [ 0.0009401900000000, -0.0002929800000000, -0.0004616300000000 ] - [ -0.0008285700000000, -0.0002482900000000, 0.0001647500000000 ] - [ -0.0030079400000000, 0.0037030700000000, -0.0045785900000000 ] - [ -0.0014954300000000, -0.0009268400000000, 0.0011601400000000 ] - [ 0.0001191700000000, -0.0014744100000000, -0.0009321700000000 ] - [ -0.0004607900000000, 0.0004836900000000, 0.0003507700000000 ] - [ -0.0003716600000000, 0.0019875700000000, 0.0026833500000000 ] - [ -0.0014393700000000, -0.0006372400000000, -0.0009117700000000 ] - [ -0.0000186000000000, -0.0008610100000000, 0.0001511500000000 ] - [ -0.0006192700000000, 0.0003925000000000, -0.0001733300000000 ] - [ -0.0033120200000000, -0.0051576100000000, -0.0021007800000000 ] - [ -0.0015393500000000, 0.0014821400000000, 0.0007567500000000 ] - [ -0.0007656800000000, 0.0035473100000000, -0.0007527100000000 ] - [ -0.0013826100000000, -0.0008190400000000, 0.0006038900000000 ] - [ -0.0001452000000000, 0.0000754300000000, 0.0003818200000000 ] - [ -0.0006300900000000, 0.0003073400000000, -0.0003590200000000 ] - [ 0.0004904400000000, 0.0008736500000000, 0.0001125100000000 ] - [ -0.0005393800000000, -0.0001661900000000, -0.0004293400000000 ] - [ 0.2434215200000000, 0.0925268100000000, 0.0842642500000000 ] - [ -0.0026699200000000, -0.0005005500000000, -0.0003734800000000 ] - [ 0.0019093300000000, -0.0003775500000000, 0.0004266000000000 ] - [ -0.0015989200000000, -0.0005239000000000, -0.0003254300000000 ] - [ 0.0020275400000000, 0.0005663300000000, -0.0003634700000000 ] - [ -0.0015566200000000, -0.0004324500000000, -0.0003777800000000 ] - [ 0.0009274900000000, -0.0001060300000000, -0.0001075800000000 ] - [ -0.0012925500000000, -0.0004844700000000, -0.0003164000000000 ] - [ 0.0009076200000000, -0.0018179500000000, -0.0034983700000000 ] - [ -0.0009940900000000, 0.0000708900000000, 0.0003252100000000 ] - [ 0.0022979900000000, 0.0014364700000000, -0.0008023800000000 ] - [ -0.0010327600000000, -0.0003677800000000, 0.0003386000000000 ] - [ 0.0009077000000000, -0.0020569800000000, 0.0032427800000000 ] - [ -0.0009923600000000, 0.0001821900000000, -0.0001370000000000 ] - [ 0.0023030100000000, 0.0008992200000000, -0.0002615300000000 ] - [ -0.0010297100000000, -0.0002254500000000, 0.0000139800000000 ] - [ -0.0014945100000000, 0.0000726100000000, -0.0012264400000000 ] - [ -0.0009310400000000, 0.0013018900000000, 0.0008977700000000 ] - [ -0.0014001900000000, 0.0014648500000000, -0.0008481500000000 ] - [ -0.0004616400000000, -0.0003082900000000, 0.0004270400000000 ] - [ -0.0009364500000000, -0.0002550500000000, 0.0005512500000000 ] - [ -0.0014884400000000, 0.0017465300000000, -0.0014544300000000 ] - [ -0.0004669400000000, 0.0007864400000000, 0.0001039700000000 ] - [ -0.0013970600000000, -0.0004658400000000, -0.0009936300000000 ] - [ -0.0031392900000000, 0.0002476600000000, 0.0003887300000000 ] - [ -0.0225975400000000, -0.0018484500000000, -0.0018247700000000 ] - [ -0.0010209000000000, -0.0000190400000000, 0.0002654200000000 ] - [ 0.0007884300000000, -0.0011379100000000, -0.0001610800000000 ] - [ -0.0008648100000000, 0.0000200200000000, -0.0000607500000000 ] - [ 0.0007113700000000, -0.0001018100000000, -0.0009966600000000 ] - [ -0.0005608100000000, -0.0000271900000000, -0.0000976900000000 ] - [ 0.0010178400000000, -0.0005741800000000, -0.0003685600000000 ] - [ -0.0019077200000000, -0.0009314400000000, -0.0008284300000000 ] - [ 0.0009757000000000, -0.0000349900000000, 0.0000437600000000 ] - [ -0.0015117600000000, 0.0004172700000000, -0.0013101800000000 ] - [ 0.0009787300000000, -0.0001948300000000, 0.0000298500000000 ] - [ -0.0011792100000000, -0.0009375400000000, 0.0003689900000000 ] - [ 0.0007320900000000, -0.0000705200000000, -0.0000850900000000 ] - [ -0.0009732400000000, 0.0012915100000000, 0.0011522200000000 ] - [ 0.0006880000000000, -0.0001981500000000, -0.0000798700000000 ] - [ -0.0160644800000000, 0.0045422300000000, 0.0037280700000000 ] - [ 0.0030199100000000, 0.0006462100000000, 0.0004757600000000 ] - [ -0.0003726600000000, 0.0006302800000000, -0.0003714800000000 ] - [ 0.0004464400000000, 0.0000673800000000, 0.0000028200000000 ] - [ -0.0003680500000000, 0.0001812100000000, 0.0006090000000000 ] - [ 0.0004903000000000, 0.0000528100000000, -0.0001127700000000 ] - [ -0.0001542800000000, 0.0002797000000000, 0.0002713700000000 ] - [ 0.0002141500000000, 0.0000999800000000, -0.0000963300000000 ] - [ 0.0017604200000000, 0.0024800100000000, 0.0050989300000000 ] - [ 0.0019802800000000, -0.0015880400000000, -0.0013337200000000 ] - [ -0.0001673300000000, -0.0066521900000000, 0.0027407700000000 ] - [ 0.0017449800000000, 0.0011887600000000, -0.0011725400000000 ] - [ 0.0013456100000000, 0.0009005000000000, -0.0011788900000000 ] - [ 0.0022141900000000, -0.0013290700000000, 0.0009752400000000 ] - [ -0.0013619600000000, -0.0037209200000000, -0.0004830800000000 ] - [ 0.0020986400000000, 0.0005184100000000, 0.0010426700000000 ] - [ -0.0027891800000000, 0.0005214600000000, 0.0006424800000000 ] - [ 0.0022068300000000, 0.0004674000000000, 0.0005186400000000 ] - [ -0.0018717500000000, 0.0006979600000000, 0.0002917800000000 ] - [ 0.0017235300000000, 0.0006967900000000, 0.0003922200000000 ] - [ -0.1889569900000000, -0.0762068700000000, -0.0704468200000000 ] - [ 0.0040853900000000, -0.0000323900000000, -0.0004733000000000 ] - [ -0.0025447700000000, 0.0008917800000000, 0.0005248300000000 ] - [ 0.0022472800000000, 0.0008050900000000, -0.0000543500000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000257300000000, 0.0062280700000000, -0.0012978400000000 ] - [ -0.0002312000000000, 0.0003701600000000, 0.0000231000000000 ] - [ 0.0002107800000000, -0.0009174200000000, 0.0000289200000000 ] - [ -0.0001882200000000, 0.0000270900000000, 0.0000196700000000 ] - [ 0.0007736000000000, 0.0020872900000000, 0.0005815700000000 ] - [ -0.0002768400000000, 0.0003626800000000, 0.0000137600000000 ] - [ 0.0000193300000000, -0.0006386900000000, 0.0000139100000000 ] - [ -0.0002132000000000, 0.0000339000000000, -0.0000027600000000 ] - [ -0.0011692600000000, 0.0000775100000000, 0.0002708100000000 ] - [ 0.0015466300000000, 0.0005233800000000, 0.0002739400000000 ] - [ 0.0004594700000000, -0.0004726400000000, -0.0001458300000000 ] - [ -0.0034309400000000, -0.0021044500000000, -0.0002909100000000 ] - [ -0.0005215000000000, -0.0000294500000000, -0.0002159800000000 ] - [ 0.0000375900000000, 0.0000573900000000, -0.0000951300000000 ] - [ 0.0000854100000000, -0.0003688900000000, 0.0001489700000000 ] - [ -0.0000145000000000, -0.0004408700000000, 0.0000898400000000 ] - [ -0.0000110500000000, 0.0010457600000000, -0.0000551300000000 ] - [ 0.0001642400000000, 0.0009198500000000, 0.0001505400000000 ] - [ -0.0002039400000000, -0.0004392200000000, 0.0000414400000000 ] - [ 0.0001423000000000, -0.0003143300000000, 0.0000618900000000 ] - [ 0.0000451500000000, 0.0007742200000000, 0.0001172100000000 ] - [ -0.0008166600000000, 0.0007236700000000, -0.0002598600000000 ] - [ -0.0001460000000000, -0.0002197600000000, 0.0000374500000000 ] - [ 0.0003029400000000, -0.0002537400000000, -0.0000447700000000 ] - [ 0.0016090700000000, 0.0163666400000000, -0.0046994600000000 ] - [ -0.0000616000000000, -0.0001191400000000, 0.0000735000000000 ] - [ 0.0023849800000000, -0.0041932400000000, -0.0007198800000000 ] - [ -0.0002047700000000, -0.0003411000000000, 0.0000529400000000 ] - [ 0.0006262800000000, 0.0001654700000000, -0.0005564600000000 ] - [ -0.0000475100000000, -0.0001396000000000, 0.0000115900000000 ] - [ 0.0000379200000000, -0.0004773900000000, 0.0002292100000000 ] - [ -0.0001271800000000, -0.0003159700000000, 0.0000644000000000 ] - [ -0.0032979100000000, 0.0082108800000000, -0.0014075500000000 ] - [ 0.0004739600000000, 0.0003148800000000, -0.0000785600000000 ] - [ 0.0172506800000000, 0.0142637300000000, 0.0056957500000000 ] - [ 0.0000497200000000, -0.0003087000000000, 0.0000203400000000 ] - [ -0.0004885200000000, 0.0003520400000000, 0.0001134000000000 ] - [ 0.0003281700000000, 0.0002089000000000, 0.0000392600000000 ] - [ -0.0001031900000000, -0.0002802400000000, 0.0001681700000000 ] - [ 0.0000634300000000, -0.0001996300000000, -0.0000029900000000 ] - [ -0.0000967200000000, -0.0018304200000000, -0.0010640400000000 ] - [ 0.0001598000000000, -0.0004369000000000, 0.0000332600000000 ] - [ -0.0002729000000000, 0.0006096300000000, 0.0001845800000000 ] - [ 0.0002168300000000, 0.0001068300000000, 0.0000387600000000 ] - [ 0.0017218700000000, -0.0075273900000000, 0.0038971700000000 ] - [ 0.0002197700000000, -0.0004053400000000, -0.0000414500000000 ] - [ -0.0002056700000000, 0.0019036400000000, -0.0009146500000000 ] - [ 0.0002088300000000, 0.0000922400000000, -0.0000297600000000 ] - [ -0.0012951400000000, -0.0014957400000000, -0.0011968700000000 ] - [ 0.0002237400000000, -0.0003152700000000, -0.0000923300000000 ] - [ 0.0003299400000000, 0.0020073000000000, 0.0006672800000000 ] - [ -0.0000213100000000, 0.0002080500000000, -0.0000167900000000 ] - [ -0.0007442700000000, -0.0008122100000000, 0.0005643200000000 ] - [ 0.0005047300000000, -0.0001785400000000, 0.0001430500000000 ] - [ 0.0005303100000000, 0.0013531200000000, -0.0001546500000000 ] - [ 0.0000221300000000, 0.0001346100000000, 0.0000075200000000 ] - [ 0.0042648900000000, 0.0034229600000000, 0.0018297900000000 ] - [ -0.0000906700000000, -0.0000081100000000, -0.0000496600000000 ] - [ -0.0024812500000000, 0.0017580200000000, -0.0012955400000000 ] - [ 0.0009207300000000, 0.0002739000000000, -0.0004112500000000 ] - [ 0.0007138700000000, 0.0002747400000000, -0.0006036800000000 ] - [ 0.0000277700000000, 0.0001197500000000, 0.0000418300000000 ] - [ -0.0002904600000000, 0.0001726800000000, 0.0002443900000000 ] - [ 0.0002908500000000, 0.0001778000000000, 0.0003323600000000 ] - [ -0.0893737400000000, -0.1093724600000000, -0.0345317100000000 ] - [ 0.0000300200000000, -0.0003575500000000, -0.0001094800000000 ] - [ -0.0000897900000000, 0.0030458200000000, -0.0000337600000000 ] - [ 0.0000509300000000, 0.0000810400000000, -0.0000542900000000 ] - [ -0.0010395700000000, -0.0010120300000000, -0.0000250000000000 ] - [ -0.0000368800000000, -0.0003165600000000, -0.0000580900000000 ] - [ -0.0003658000000000, 0.0003591000000000, -0.0001224200000000 ] - [ 0.0000166100000000, 0.0000226600000000, -0.0000279700000000 ] - [ 0.0025299100000000, 0.0019638900000000, 0.0040716200000000 ] - [ 0.0002906300000000, 0.0001509500000000, -0.0001006100000000 ] - [ -0.0004243100000000, 0.0009526900000000, -0.0010476200000000 ] - [ 0.0007003500000000, 0.0003671500000000, -0.0003081300000000 ] - [ 0.0022858000000000, 0.0019552700000000, -0.0044369000000000 ] - [ 0.0004026400000000, 0.0001487300000000, -0.0001276900000000 ] - [ -0.0009633300000000, 0.0009539400000000, 0.0011654700000000 ] - [ 0.0008351100000000, 0.0003614600000000, -0.0001393100000000 ] - [ 0.0012772000000000, -0.0003075200000000, 0.0007973800000000 ] - [ -0.0007253500000000, 0.0000153800000000, -0.0000062700000000 ] - [ -0.0009348000000000, 0.0006145200000000, -0.0007564100000000 ] - [ 0.0003127600000000, 0.0004724500000000, -0.0005814500000000 ] - [ 0.0008271900000000, 0.0000233600000000, -0.0003450300000000 ] - [ -0.0003990700000000, -0.0003105800000000, -0.0002808900000000 ] - [ -0.0007769100000000, 0.0004726900000000, -0.0000118700000000 ] - [ 0.0009931300000000, 0.0006160600000000, 0.0009736500000000 ] - [ 0.0007250100000000, -0.0009754300000000, -0.0002256000000000 ] - [ -0.0013300900000000, -0.0093050500000000, -0.0014513600000000 ] - [ 0.0004549400000000, 0.0003827300000000, -0.0001606500000000 ] - [ -0.0006683900000000, 0.0036270500000000, 0.0002141900000000 ] - [ 0.0004899500000000, -0.0006555800000000, -0.0001174200000000 ] - [ 0.0003713000000000, -0.0004827800000000, 0.0001486200000000 ] - [ 0.0004464200000000, 0.0001179300000000, -0.0001425300000000 ] - [ -0.0001043900000000, 0.0002247300000000, 0.0000083700000000 ] - [ 0.0020750900000000, -0.0018427700000000, -0.0024982300000000 ] - [ -0.0004257900000000, -0.0001239500000000, -0.0000471000000000 ] - [ -0.0006124800000000, -0.0013350400000000, 0.0025982800000000 ] - [ 0.0000395700000000, -0.0001243500000000, -0.0000344100000000 ] - [ 0.0008661400000000, 0.0000819800000000, 0.0009902000000000 ] - [ -0.0003140000000000, -0.0001107100000000, 0.0000080800000000 ] - [ 0.0000477600000000, -0.0008438200000000, -0.0019441400000000 ] - [ -0.0000387100000000, -0.0001269600000000, -0.0000614800000000 ] - [ -0.0044757200000000, 0.0042908500000000, 0.0012724100000000 ] - [ -0.0005560300000000, 0.0003941100000000, 0.0000318100000000 ] - [ -0.0001330700000000, -0.0011989900000000, 0.0000910600000000 ] - [ 0.0000168800000000, -0.0001497800000000, 0.0000104400000000 ] - [ 0.0000321300000000, 0.0007422000000000, -0.0000629900000000 ] - [ -0.0001432800000000, 0.0002759500000000, -0.0000853800000000 ] - [ -0.0000190600000000, -0.0005141700000000, -0.0001283700000000 ] - [ -0.0000128200000000, -0.0000349800000000, -0.0000412200000000 ] - [ -0.0037404400000000, -0.0032950900000000, -0.0033762400000000 ] - [ 0.0002996700000000, -0.0007385900000000, 0.0002893800000000 ] - [ 0.0022909500000000, -0.0010762000000000, 0.0033469300000000 ] - [ -0.0010460900000000, -0.0003359400000000, 0.0008899300000000 ] - [ -0.0031503800000000, -0.0021015900000000, 0.0014825700000000 ] - [ -0.0000423800000000, -0.0006295700000000, 0.0001709700000000 ] - [ 0.0015916700000000, -0.0003958900000000, -0.0008058700000000 ] - [ -0.0013280400000000, -0.0002843600000000, -0.0003787600000000 ] - [ 0.0009080700000000, 0.0008837700000000, 0.0001788200000000 ] - [ -0.0003747300000000, 0.0009798200000000, 0.0001623500000000 ] - [ 0.0005019500000000, -0.0003328500000000, -0.0000150500000000 ] - [ -0.0004410800000000, 0.0001161300000000, 0.0001111200000000 ] - [ 0.0731652200000000, 0.0804033200000000, 0.0339220900000000 ] - [ -0.0005364900000000, 0.0011609700000000, 0.0002743600000000 ] - [ 0.0003498300000000, -0.0076776900000000, 0.0006596600000000 ] - [ -0.0005429200000000, -0.0000342000000000, 0.0002298600000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001464400000000, -0.0057664000000000, 0.0012708600000000 ] - [ 0.0000953800000000, 0.0000613300000000, 0.0000400100000000 ] - [ -0.0003426900000000, 0.0013456600000000, 0.0000329000000000 ] - [ 0.0000531400000000, 0.0004066600000000, 0.0000417900000000 ] - [ -0.0008904400000000, -0.0016497000000000, -0.0005299300000000 ] - [ 0.0001440100000000, 0.0000670200000000, 0.0000498100000000 ] - [ -0.0001515500000000, 0.0010597100000000, 0.0000582200000000 ] - [ 0.0000795500000000, 0.0003959900000000, 0.0000663800000000 ] - [ 0.0010348500000000, -0.0005086200000000, -0.0002062400000000 ] - [ -0.0016682700000000, -0.0009338300000000, -0.0002099300000000 ] - [ -0.0005953100000000, 0.0000341800000000, 0.0002097500000000 ] - [ 0.0033103200000000, 0.0016673700000000, 0.0003603500000000 ] - [ 0.0003873200000000, -0.0004015700000000, 0.0002805200000000 ] - [ -0.0001662700000000, -0.0004909800000000, 0.0001581400000000 ] - [ -0.0002190900000000, -0.0000615200000000, -0.0000847500000000 ] - [ -0.0001181800000000, -0.0000002700000000, -0.0000265200000000 ] - [ 0.0001366400000000, -0.0006117000000000, 0.0001241700000000 ] - [ -0.0000408300000000, -0.0004876200000000, -0.0000661800000000 ] - [ 0.0003254200000000, 0.0008677100000000, 0.0000277600000000 ] - [ -0.0000127700000000, 0.0007443300000000, 0.0000018600000000 ] - [ 0.0000789400000000, -0.0003418700000000, -0.0000484500000000 ] - [ 0.0009279200000000, -0.0002889500000000, 0.0003223700000000 ] - [ 0.0002700200000000, 0.0006475300000000, 0.0000322600000000 ] - [ -0.0001741900000000, 0.0006756400000000, 0.0001203800000000 ] - [ -0.0012050200000000, -0.0155548600000000, 0.0042873500000000 ] - [ 0.0001841800000000, -0.0003022000000000, 0.0000000500000000 ] - [ -0.0022711600000000, 0.0037800300000000, 0.0007948400000000 ] - [ 0.0003299400000000, -0.0000879400000000, 0.0000202000000000 ] - [ -0.0004969300000000, -0.0005863100000000, 0.0006264600000000 ] - [ 0.0001695500000000, -0.0002844900000000, 0.0000623800000000 ] - [ 0.0000872500000000, 0.0000515400000000, -0.0001594700000000 ] - [ 0.0002521500000000, -0.0001155500000000, 0.0000072100000000 ] - [ 0.0032698600000000, -0.0081326700000000, 0.0013872400000000 ] - [ -0.0004651700000000, -0.0002978200000000, 0.0000709500000000 ] - [ -0.0175811200000000, -0.0145686100000000, -0.0057937400000000 ] - [ -0.0000406400000000, 0.0003312600000000, -0.0000273800000000 ] - [ 0.0004921400000000, -0.0003396900000000, -0.0001179300000000 ] - [ -0.0003215100000000, -0.0001922200000000, -0.0000464800000000 ] - [ 0.0001091300000000, 0.0003057500000000, -0.0001749900000000 ] - [ -0.0000651900000000, 0.0002157400000000, -0.0000032500000000 ] - [ 0.0001000600000000, 0.0015161600000000, 0.0010603100000000 ] - [ -0.0001557700000000, 0.0001130400000000, -0.0000138000000000 ] - [ 0.0002705800000000, -0.0009308700000000, -0.0001605500000000 ] - [ -0.0002148700000000, -0.0004307800000000, -0.0000163600000000 ] - [ -0.0016852300000000, 0.0072650300000000, -0.0038683300000000 ] - [ -0.0002122100000000, 0.0000821900000000, 0.0000607300000000 ] - [ 0.0002084300000000, -0.0022182000000000, 0.0009148100000000 ] - [ -0.0002017900000000, -0.0004139600000000, 0.0000486300000000 ] - [ 0.0012858700000000, 0.0014897400000000, 0.0011853100000000 ] - [ -0.0002161400000000, 0.0003076100000000, 0.0000833800000000 ] - [ -0.0003288900000000, -0.0020213800000000, -0.0006686500000000 ] - [ 0.0000262300000000, -0.0002314900000000, 0.0000122600000000 ] - [ 0.0007390800000000, 0.0008010900000000, -0.0005660400000000 ] - [ -0.0004993400000000, 0.0001719600000000, -0.0001453600000000 ] - [ -0.0005282600000000, -0.0013686600000000, 0.0001464900000000 ] - [ -0.0000226300000000, -0.0001498900000000, -0.0000139200000000 ] - [ -0.0042380900000000, -0.0030828200000000, -0.0018047300000000 ] - [ 0.0000871100000000, 0.0003227900000000, 0.0000664900000000 ] - [ 0.0024973800000000, -0.0014366900000000, 0.0013250300000000 ] - [ -0.0009277800000000, 0.0000549800000000, 0.0004288300000000 ] - [ -0.0007138800000000, 0.0000459200000000, 0.0006166200000000 ] - [ -0.0000311200000000, 0.0002010200000000, -0.0000256400000000 ] - [ 0.0002903900000000, 0.0001508200000000, -0.0002321200000000 ] - [ -0.0002903900000000, 0.0001496300000000, -0.0003116700000000 ] - [ 0.0905461900000000, 0.1077298500000000, 0.0358433100000000 ] - [ -0.0005580000000000, -0.0000559900000000, -0.0001145100000000 ] - [ -0.0004378900000000, -0.0034625000000000, -0.0001864700000000 ] - [ -0.0005863300000000, -0.0004982700000000, -0.0001750400000000 ] - [ 0.0004987200000000, 0.0005922400000000, -0.0001993300000000 ] - [ -0.0004929500000000, -0.0000983200000000, -0.0001628500000000 ] - [ -0.0001675200000000, -0.0007714800000000, -0.0000994500000000 ] - [ -0.0005449500000000, -0.0004414600000000, -0.0001907300000000 ] - [ -0.0019844800000000, -0.0015406900000000, -0.0042572300000000 ] - [ 0.0002469300000000, 0.0002686600000000, -0.0001179200000000 ] - [ 0.0009635200000000, -0.0005306700000000, 0.0008370200000000 ] - [ -0.0001577300000000, 0.0000600900000000, 0.0000836300000000 ] - [ -0.0017490500000000, -0.0015423800000000, 0.0041969800000000 ] - [ 0.0001352900000000, 0.0002667900000000, -0.0000913600000000 ] - [ 0.0015016300000000, -0.0005332400000000, -0.0013987900000000 ] - [ -0.0003023700000000, 0.0000560900000000, -0.0000803300000000 ] - [ -0.0018072000000000, 0.0007267600000000, -0.0010157600000000 ] - [ 0.0001932900000000, 0.0003963900000000, -0.0002204400000000 ] - [ 0.0004023900000000, -0.0001890100000000, 0.0005415400000000 ] - [ -0.0008509100000000, -0.0000509400000000, 0.0003602800000000 ] - [ -0.0013571900000000, 0.0003971700000000, 0.0001233000000000 ] - [ -0.0001328600000000, 0.0007200500000000, 0.0000568600000000 ] - [ 0.0002406800000000, -0.0000489500000000, -0.0002200300000000 ] - [ -0.0015298200000000, -0.0001911500000000, -0.0012036800000000 ] - [ -0.0001825200000000, 0.0005512200000000, -0.0000030800000000 ] - [ 0.0019411100000000, 0.0089119600000000, 0.0012554000000000 ] - [ 0.0000894100000000, -0.0008077300000000, -0.0000649300000000 ] - [ 0.0011873200000000, -0.0040387500000000, -0.0004288500000000 ] - [ 0.0000477000000000, 0.0002352700000000, -0.0001081600000000 ] - [ 0.0001685300000000, 0.0000576400000000, -0.0003683900000000 ] - [ 0.0000916200000000, -0.0005320500000000, -0.0000820000000000 ] - [ 0.0006392500000000, -0.0006460900000000, -0.0002295800000000 ] - [ -0.0020616000000000, 0.0016128400000000, 0.0024163300000000 ] - [ 0.0004228100000000, -0.0001079100000000, -0.0000179200000000 ] - [ 0.0006172400000000, 0.0010974900000000, -0.0026801800000000 ] - [ -0.0000406000000000, -0.0001094800000000, -0.0000314000000000 ] - [ -0.0008604000000000, -0.0003069900000000, -0.0010484900000000 ] - [ 0.0003124300000000, -0.0001212000000000, -0.0000741400000000 ] - [ -0.0000448300000000, 0.0005956200000000, 0.0018873100000000 ] - [ 0.0000374800000000, -0.0001071000000000, -0.0000036800000000 ] - [ 0.0044817100000000, -0.0039985200000000, -0.0013328200000000 ] - [ 0.0005436100000000, -0.0001668600000000, -0.0000982400000000 ] - [ 0.0001290900000000, 0.0014288100000000, -0.0001562300000000 ] - [ -0.0000134100000000, 0.0003830500000000, -0.0000754200000000 ] - [ -0.0000287900000000, -0.0005080100000000, -0.0000020700000000 ] - [ 0.0001408400000000, -0.0000439700000000, 0.0000196600000000 ] - [ 0.0000194400000000, 0.0007443100000000, 0.0000616000000000 ] - [ 0.0000134600000000, 0.0002672300000000, -0.0000245500000000 ] - [ 0.0037328300000000, 0.0021561900000000, 0.0037246900000000 ] - [ -0.0003018900000000, -0.0003892700000000, 0.0000769500000000 ] - [ -0.0022974600000000, -0.0000795300000000, -0.0030000100000000 ] - [ 0.0010483500000000, -0.0008174300000000, -0.0005291500000000 ] - [ 0.0031451000000000, 0.0009676100000000, -0.0011138600000000 ] - [ 0.0000399100000000, -0.0005016200000000, 0.0001913500000000 ] - [ -0.0015909900000000, -0.0007549200000000, 0.0011776000000000 ] - [ 0.0013291200000000, -0.0008657600000000, 0.0007383600000000 ] - [ -0.0009001200000000, 0.0002517300000000, 0.0001885800000000 ] - [ 0.0003691500000000, 0.0001584200000000, 0.0002006700000000 ] - [ -0.0004990100000000, 0.0014696100000000, 0.0003739000000000 ] - [ 0.0004371400000000, 0.0010174000000000, 0.0002504400000000 ] - [ -0.0749526400000000, -0.0792450500000000, -0.0344162600000000 ] - [ 0.0005293900000000, -0.0000265700000000, 0.0000881200000000 ] - [ -0.0003480200000000, 0.0087983600000000, -0.0002871800000000 ] - [ 0.0005351900000000, 0.0011716500000000, 0.0001359400000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0009695500000000, -0.0011401700000000, 0.0184209600000000 ] - [ -0.0001798300000000, 0.0002315100000000, 0.0000761200000000 ] - [ 0.0003447900000000, 0.0002071500000000, 0.0002979400000000 ] - [ -0.0001438900000000, 0.0001760300000000, 0.0000623600000000 ] - [ 0.0023165800000000, 0.0007840800000000, -0.0051412100000000 ] - [ -0.0003141600000000, 0.0002698400000000, -0.0000458100000000 ] - [ -0.0001964800000000, 0.0002022500000000, -0.0001723200000000 ] - [ -0.0002239000000000, 0.0001600200000000, -0.0000298000000000 ] - [ -0.0003322600000000, -0.0001141500000000, 0.0006509600000000 ] - [ -0.0003879600000000, 0.0001189200000000, 0.0007367200000000 ] - [ -0.0002951200000000, -0.0001876900000000, 0.0005159300000000 ] - [ -0.0006054800000000, -0.0006882400000000, 0.0001159700000000 ] - [ -0.0000834300000000, -0.0002987400000000, -0.0005416400000000 ] - [ 0.0001372600000000, -0.0002541800000000, -0.0003599500000000 ] - [ -0.0000931800000000, -0.0001804400000000, -0.0004775600000000 ] - [ 0.0001484500000000, -0.0002001600000000, -0.0002022900000000 ] - [ -0.0009616100000000, 0.0000275100000000, 0.0001927600000000 ] - [ 0.0017342900000000, 0.0002368200000000, 0.0005523500000000 ] - [ -0.0003417500000000, 0.0002824000000000, 0.0001368700000000 ] - [ 0.0001286800000000, 0.0001358300000000, 0.0002040800000000 ] - [ 0.0005513200000000, 0.0003074700000000, -0.0001189400000000 ] - [ -0.0032268000000000, 0.0015198500000000, -0.0012450100000000 ] - [ 0.0003018700000000, 0.0002109400000000, -0.0000524600000000 ] - [ 0.0001213200000000, 0.0000744300000000, -0.0001424600000000 ] - [ 0.0001332200000000, -0.0048218400000000, 0.0077541400000000 ] - [ -0.0000397500000000, -0.0002029800000000, 0.0001863100000000 ] - [ 0.0007536300000000, -0.0006347400000000, 0.0010665500000000 ] - [ -0.0000946200000000, -0.0002356400000000, 0.0001743000000000 ] - [ 0.0001492600000000, -0.0003462800000000, -0.0015289000000000 ] - [ -0.0000621200000000, -0.0002336000000000, -0.0000803800000000 ] - [ 0.0000492000000000, -0.0001287300000000, -0.0006821100000000 ] - [ -0.0000999500000000, -0.0002423400000000, -0.0000638300000000 ] - [ -0.0002508600000000, -0.0000956700000000, -0.0015437400000000 ] - [ 0.0002218700000000, 0.0000235900000000, -0.0002583000000000 ] - [ 0.0000308300000000, 0.0020203100000000, -0.0080151700000000 ] - [ 0.0002390100000000, -0.0000287600000000, -0.0002557700000000 ] - [ -0.0002155700000000, 0.0001082700000000, 0.0007625400000000 ] - [ 0.0001123600000000, 0.0000247900000000, 0.0002451700000000 ] - [ -0.0001333400000000, -0.0009477800000000, 0.0024988000000000 ] - [ 0.0001552100000000, -0.0000200300000000, 0.0002544400000000 ] - [ -0.0035139800000000, -0.0016593000000000, 0.0088951700000000 ] - [ 0.0004300000000000, -0.0001818300000000, 0.0003371400000000 ] - [ -0.0003694900000000, -0.0000042100000000, 0.0003603100000000 ] - [ 0.0002758600000000, -0.0001758600000000, 0.0002449500000000 ] - [ 0.0179867100000000, 0.0069480900000000, 0.0143882400000000 ] - [ 0.0000364700000000, -0.0001492600000000, -0.0003251800000000 ] - [ 0.0000292600000000, -0.0000475900000000, -0.0004260500000000 ] - [ 0.0000423100000000, -0.0001259400000000, -0.0002383800000000 ] - [ 0.0041547800000000, -0.0032612400000000, 0.0024361200000000 ] - [ -0.0000828400000000, -0.0000691600000000, -0.0002366100000000 ] - [ 0.0005987500000000, 0.0011019000000000, -0.0001381700000000 ] - [ -0.0000531900000000, 0.0001311200000000, -0.0000829600000000 ] - [ -0.0020121300000000, 0.0015645600000000, 0.0015031900000000 ] - [ 0.0009947800000000, 0.0002696200000000, 0.0002490600000000 ] - [ -0.0007944300000000, -0.0009046100000000, 0.0001377700000000 ] - [ 0.0002603700000000, -0.0002212900000000, 0.0001124700000000 ] - [ 0.0012968900000000, 0.0016016400000000, -0.0017921300000000 ] - [ 0.0000383900000000, 0.0001537500000000, -0.0003350300000000 ] - [ 0.0003274400000000, -0.0008528500000000, -0.0015665200000000 ] - [ 0.0002555000000000, 0.0002075000000000, -0.0003882600000000 ] - [ -0.0006097400000000, 0.0001066700000000, 0.0019272200000000 ] - [ 0.0001596600000000, 0.0001324300000000, 0.0004497800000000 ] - [ -0.0000858400000000, 0.0005056100000000, 0.0013259200000000 ] - [ 0.0001388200000000, 0.0002819400000000, 0.0004619500000000 ] - [ -0.0815632800000000, -0.0350532900000000, -0.1095909400000000 ] - [ 0.0000018400000000, -0.0002058500000000, -0.0002544600000000 ] - [ -0.0008025400000000, -0.0001297800000000, -0.0006594800000000 ] - [ -0.0000513700000000, -0.0001510000000000, -0.0002182700000000 ] - [ -0.0000109300000000, -0.0001217400000000, 0.0033920400000000 ] - [ 0.0000039000000000, -0.0001605900000000, 0.0001430400000000 ] - [ -0.0002708800000000, -0.0002217000000000, 0.0004118900000000 ] - [ -0.0000550500000000, -0.0001252200000000, 0.0000685400000000 ] - [ 0.0036221900000000, 0.0045428300000000, 0.0032049700000000 ] - [ 0.0002433700000000, 0.0002282500000000, -0.0001356000000000 ] - [ 0.0001135900000000, -0.0010760100000000, 0.0001552700000000 ] - [ 0.0003939900000000, 0.0002405900000000, -0.0001633000000000 ] - [ -0.0031131700000000, -0.0039363800000000, 0.0031857700000000 ] - [ 0.0007010100000000, 0.0002012600000000, -0.0001314500000000 ] - [ -0.0004280600000000, 0.0011499100000000, 0.0001646400000000 ] - [ 0.0007153600000000, 0.0004081300000000, -0.0001646600000000 ] - [ 0.0010797500000000, 0.0003772200000000, 0.0001060000000000 ] - [ -0.0009314700000000, 0.0004439300000000, -0.0002116800000000 ] - [ 0.0006198700000000, -0.0008782900000000, 0.0001049300000000 ] - [ -0.0004800200000000, 0.0001071800000000, -0.0003123000000000 ] - [ -0.0012647200000000, 0.0000990900000000, -0.0002072100000000 ] - [ 0.0008523800000000, -0.0006968200000000, 0.0001110700000000 ] - [ -0.0008006000000000, 0.0006830800000000, -0.0003041400000000 ] - [ 0.0004744800000000, 0.0008589900000000, 0.0001098600000000 ] - [ 0.0007656800000000, -0.0003235600000000, -0.0007964100000000 ] - [ -0.0013905400000000, -0.0015548100000000, -0.0090566000000000 ] - [ 0.0006446000000000, -0.0002556700000000, -0.0005206300000000 ] - [ 0.0002163100000000, 0.0001153500000000, -0.0002672600000000 ] - [ 0.0003162400000000, -0.0002152400000000, 0.0004251500000000 ] - [ -0.0006246600000000, 0.0000505600000000, 0.0038751300000000 ] - [ 0.0002776300000000, -0.0002388400000000, 0.0002257700000000 ] - [ 0.0000096000000000, -0.0000893300000000, 0.0002147200000000 ] - [ 0.0017929800000000, -0.0026296700000000, -0.0009726500000000 ] - [ -0.0003116300000000, -0.0001678100000000, -0.0000068000000000 ] - [ 0.0012430200000000, 0.0016277300000000, 0.0000557100000000 ] - [ -0.0003569200000000, -0.0000924000000000, 0.0000011500000000 ] - [ -0.0004182100000000, 0.0014483900000000, -0.0008355700000000 ] - [ 0.0000416800000000, -0.0000846500000000, -0.0000695100000000 ] - [ 0.0000810800000000, -0.0023445300000000, -0.0008632900000000 ] - [ 0.0000105000000000, -0.0001184800000000, -0.0000720900000000 ] - [ -0.0039506400000000, 0.0013832500000000, 0.0038683000000000 ] - [ -0.0004936000000000, 0.0001941700000000, 0.0002314100000000 ] - [ 0.0001367000000000, 0.0000412100000000, 0.0006048200000000 ] - [ -0.0001056100000000, 0.0000645600000000, 0.0001235400000000 ] - [ -0.0001766600000000, 0.0001688400000000, -0.0014116900000000 ] - [ 0.0000163000000000, 0.0001708800000000, -0.0003050800000000 ] - [ -0.0000531300000000, 0.0001028300000000, -0.0006690500000000 ] - [ -0.0000004200000000, 0.0001034000000000, -0.0001740800000000 ] - [ -0.0044803900000000, -0.0035956100000000, 0.0012826400000000 ] - [ 0.0003413000000000, -0.0007593700000000, 0.0006526100000000 ] - [ -0.0015454400000000, 0.0046749100000000, 0.0009269600000000 ] - [ 0.0000184000000000, -0.0005315500000000, 0.0007226600000000 ] - [ 0.0037759600000000, 0.0007507300000000, -0.0015040400000000 ] - [ -0.0009713400000000, -0.0001903900000000, -0.0004585000000000 ] - [ 0.0011753100000000, -0.0028211300000000, -0.0011148500000000 ] - [ -0.0011991600000000, -0.0012005700000000, -0.0005048100000000 ] - [ 0.0002571600000000, 0.0009584300000000, -0.0089563400000000 ] - [ -0.0004079200000000, 0.0005440900000000, -0.0004931700000000 ] - [ 0.0003567700000000, 0.0003934300000000, -0.0006665700000000 ] - [ -0.0002663600000000, 0.0005191200000000, -0.0003030900000000 ] - [ 0.0669743200000000, 0.0342498900000000, 0.0746146400000000 ] - [ -0.0005500800000000, 0.0006677100000000, 0.0008302400000000 ] - [ 0.0004326200000000, 0.0003796200000000, 0.0006353700000000 ] - [ -0.0004521700000000, 0.0005491800000000, 0.0006791600000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0007928600000000, 0.0015252000000000, -0.0168921000000000 ] - [ 0.0000457100000000, 0.0002067400000000, -0.0000121000000000 ] - [ -0.0004723100000000, 0.0002251700000000, -0.0002287600000000 ] - [ 0.0000137500000000, 0.0002451500000000, 0.0000110100000000 ] - [ -0.0024558100000000, -0.0003579500000000, 0.0052364400000000 ] - [ 0.0001837600000000, 0.0001609100000000, 0.0001134600000000 ] - [ 0.0000694700000000, 0.0002316100000000, 0.0002341300000000 ] - [ 0.0000944800000000, 0.0002619200000000, 0.0000993600000000 ] - [ 0.0001993700000000, -0.0003193000000000, -0.0005854900000000 ] - [ 0.0002541500000000, -0.0005306700000000, -0.0006785000000000 ] - [ 0.0001668400000000, -0.0002440800000000, -0.0004478700000000 ] - [ 0.0004530000000000, 0.0002436000000000, -0.0000557000000000 ] - [ -0.0000473600000000, -0.0001308400000000, 0.0006089900000000 ] - [ -0.0002620900000000, -0.0001821800000000, 0.0004307100000000 ] - [ -0.0000397900000000, -0.0002572800000000, 0.0005416600000000 ] - [ -0.0002701400000000, -0.0002244000000000, 0.0002745100000000 ] - [ 0.0010805700000000, 0.0004043000000000, -0.0001218100000000 ] - [ -0.0015994600000000, 0.0001969800000000, -0.0004568500000000 ] - [ 0.0004647800000000, 0.0001453200000000, -0.0000659500000000 ] - [ -0.0000028700000000, 0.0002969100000000, -0.0001313900000000 ] - [ -0.0004314600000000, 0.0001181000000000, 0.0001910400000000 ] - [ 0.0033570100000000, -0.0010945700000000, 0.0013068600000000 ] - [ -0.0001800100000000, 0.0002149300000000, 0.0001260100000000 ] - [ 0.0000014000000000, 0.0003574300000000, 0.0002075900000000 ] - [ 0.0000205600000000, 0.0044564600000000, -0.0076189500000000 ] - [ 0.0001583300000000, -0.0002262500000000, -0.0001150100000000 ] - [ -0.0006124200000000, 0.0001925000000000, -0.0009987500000000 ] - [ 0.0002138200000000, -0.0002010800000000, -0.0001046700000000 ] - [ -0.0000237000000000, -0.0000923100000000, 0.0015942300000000 ] - [ 0.0001820900000000, -0.0001932900000000, 0.0001550500000000 ] - [ 0.0000716300000000, -0.0002999800000000, 0.0007521600000000 ] - [ 0.0002257800000000, -0.0001948600000000, 0.0001309700000000 ] - [ 0.0002534800000000, 0.0000959200000000, 0.0015397800000000 ] - [ -0.0002194300000000, -0.0000019400000000, 0.0002502300000000 ] - [ 0.0000249700000000, -0.0019559100000000, 0.0080486600000000 ] - [ -0.0002380300000000, 0.0000572200000000, 0.0002491000000000 ] - [ 0.0002179400000000, -0.0000799600000000, -0.0007688100000000 ] - [ -0.0001100400000000, -0.0000099000000000, -0.0002501500000000 ] - [ 0.0001371000000000, 0.0009563300000000, -0.0024985400000000 ] - [ -0.0001476500000000, 0.0000443200000000, -0.0002621700000000 ] - [ 0.0034777700000000, 0.0013223300000000, -0.0088114100000000 ] - [ -0.0004287900000000, -0.0001431500000000, -0.0003128200000000 ] - [ 0.0003651500000000, -0.0003139700000000, -0.0003482600000000 ] - [ -0.0002727600000000, -0.0001436300000000, -0.0002310200000000 ] - [ -0.0183185900000000, -0.0073955100000000, -0.0146762900000000 ] - [ -0.0000350200000000, -0.0001749900000000, 0.0003462300000000 ] - [ -0.0000278500000000, -0.0002733800000000, 0.0004533600000000 ] - [ -0.0000366300000000, -0.0001942200000000, 0.0002573900000000 ] - [ -0.0041193000000000, 0.0032175500000000, -0.0024288400000000 ] - [ 0.0000894300000000, 0.0000485800000000, 0.0002202400000000 ] - [ -0.0005954000000000, -0.0011160600000000, 0.0001278000000000 ] - [ 0.0000578200000000, -0.0001544800000000, 0.0000721400000000 ] - [ 0.0020234600000000, -0.0015950800000000, -0.0015117200000000 ] - [ -0.0009923000000000, -0.0002935400000000, -0.0002499800000000 ] - [ 0.0007939500000000, 0.0008888700000000, -0.0001431100000000 ] - [ -0.0002568600000000, 0.0002036900000000, -0.0001173200000000 ] - [ -0.0012896300000000, -0.0012692400000000, 0.0017969500000000 ] - [ -0.0000309400000000, 0.0001621800000000, 0.0003516700000000 ] - [ -0.0003393500000000, 0.0011778600000000, 0.0015700900000000 ] - [ -0.0002389900000000, 0.0001217400000000, 0.0004045800000000 ] - [ 0.0006138600000000, 0.0002158900000000, -0.0019094800000000 ] - [ -0.0001593500000000, 0.0001927800000000, -0.0004263000000000 ] - [ 0.0000844900000000, -0.0001841000000000, -0.0013011500000000 ] - [ -0.0001438900000000, 0.0000392500000000, -0.0004412700000000 ] - [ 0.0821421400000000, 0.0353268200000000, 0.1076367300000000 ] - [ -0.0005318600000000, -0.0002158300000000, 0.0000295400000000 ] - [ 0.0002556200000000, -0.0002867200000000, 0.0004310600000000 ] - [ -0.0004829100000000, -0.0002725100000000, -0.0000037000000000 ] - [ -0.0005218100000000, -0.0002955700000000, -0.0036119900000000 ] - [ -0.0005395400000000, -0.0002625800000000, -0.0003678800000000 ] - [ -0.0002652200000000, -0.0001979600000000, -0.0006306400000000 ] - [ -0.0004692500000000, -0.0002851500000000, -0.0002886300000000 ] - [ -0.0030621700000000, -0.0040883800000000, -0.0034049400000000 ] - [ 0.0003038100000000, 0.0001981800000000, -0.0000948800000000 ] - [ 0.0004253900000000, 0.0014892300000000, -0.0003842500000000 ] - [ 0.0001486300000000, 0.0001848300000000, -0.0000602200000000 ] - [ 0.0036682800000000, 0.0043906600000000, -0.0034248100000000 ] - [ -0.0001622200000000, 0.0002188400000000, -0.0000889300000000 ] - [ 0.0009588200000000, -0.0007338900000000, -0.0003790200000000 ] - [ -0.0001710200000000, 0.0000142400000000, -0.0000644200000000 ] - [ -0.0016084600000000, 0.0000436800000000, -0.0003301700000000 ] - [ 0.0003896200000000, -0.0000227000000000, -0.0000241400000000 ] - [ -0.0011541600000000, 0.0012949800000000, -0.0003335900000000 ] - [ -0.0000562800000000, 0.0003117900000000, 0.0000786200000000 ] - [ 0.0007297600000000, 0.0003221700000000, -0.0000145400000000 ] - [ -0.0013891300000000, 0.0011178000000000, -0.0003274000000000 ] - [ 0.0002639500000000, -0.0002607400000000, 0.0000808800000000 ] - [ -0.0010057500000000, -0.0004394600000000, -0.0003220900000000 ] - [ -0.0002274200000000, -0.0000967800000000, 0.0005712900000000 ] - [ 0.0020212100000000, 0.0011544500000000, 0.0088517600000000 ] - [ -0.0000994800000000, -0.0001672700000000, 0.0002939100000000 ] - [ 0.0003220800000000, -0.0005274300000000, 0.0000450700000000 ] - [ 0.0002329600000000, -0.0002115000000000, -0.0006523200000000 ] - [ 0.0011479800000000, -0.0004665700000000, -0.0040865300000000 ] - [ 0.0002582700000000, -0.0001794000000000, -0.0004479700000000 ] - [ 0.0005278500000000, -0.0003330900000000, -0.0004373200000000 ] - [ -0.0017812000000000, 0.0023846000000000, 0.0009135500000000 ] - [ 0.0003091200000000, -0.0000658700000000, -0.0000601900000000 ] - [ -0.0012320700000000, -0.0018510300000000, -0.0001069900000000 ] - [ 0.0003540900000000, -0.0001412300000000, -0.0000683200000000 ] - [ 0.0004213300000000, -0.0016895200000000, 0.0007642900000000 ] - [ -0.0000431400000000, -0.0001498500000000, 0.0000027900000000 ] - [ -0.0000791800000000, 0.0021187400000000, 0.0007825800000000 ] - [ -0.0000118100000000, -0.0001144400000000, 0.0000055500000000 ] - [ 0.0039400500000000, -0.0011390300000000, -0.0038749100000000 ] - [ 0.0004783900000000, 0.0000361900000000, -0.0003034900000000 ] - [ -0.0001335400000000, 0.0001905600000000, -0.0006717200000000 ] - [ 0.0001023300000000, 0.0001678600000000, -0.0001906800000000 ] - [ 0.0001723200000000, 0.0000655900000000, 0.0013414100000000 ] - [ -0.0000122100000000, 0.0000632500000000, 0.0002404200000000 ] - [ 0.0000531600000000, 0.0001291700000000, 0.0006010800000000 ] - [ 0.0000014500000000, 0.0001292300000000, 0.0001073400000000 ] - [ 0.0044620800000000, 0.0024399800000000, -0.0009059600000000 ] - [ -0.0003438800000000, -0.0003778400000000, -0.0002742700000000 ] - [ 0.0015374600000000, -0.0057835200000000, -0.0005435700000000 ] - [ -0.0000219900000000, -0.0006121800000000, -0.0003452100000000 ] - [ -0.0037828900000000, -0.0018868800000000, 0.0018635200000000 ] - [ 0.0009673300000000, -0.0009475600000000, 0.0008167700000000 ] - [ -0.0011676900000000, 0.0016936600000000, 0.0014734500000000 ] - [ 0.0011941900000000, 0.0000687400000000, 0.0008642200000000 ] - [ -0.0002588700000000, 0.0001837100000000, 0.0093088800000000 ] - [ 0.0004030400000000, 0.0006006000000000, 0.0008558300000000 ] - [ -0.0003524600000000, 0.0007395100000000, 0.0010320900000000 ] - [ 0.0002567900000000, 0.0006179500000000, 0.0006651800000000 ] - [ -0.0682615300000000, -0.0337914900000000, -0.0739731800000000 ] - [ 0.0005453000000000, 0.0004694500000000, -0.0004679900000000 ] - [ -0.0004183600000000, 0.0007593700000000, -0.0002781300000000 ] - [ 0.0004478600000000, 0.0005884600000000, -0.0003126900000000 ]- atom: 97 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006832700000000, -0.0042475100000000, -0.0001033600000000 ] - [ 0.0005878100000000, 0.0007825600000000, 0.0001556900000000 ] - [ -0.0002433900000000, 0.0032112000000000, 0.0001031600000000 ] - [ 0.0008527800000000, -0.0002059900000000, 0.0001339600000000 ] - [ -0.0003032600000000, 0.0000643000000000, 0.0000027700000000 ] - [ 0.0001796500000000, 0.0003732300000000, 0.0000567300000000 ] - [ -0.0003375700000000, 0.0002692200000000, -0.0000217700000000 ] - [ 0.0002035600000000, 0.0001488700000000, 0.0000576200000000 ] - [ 0.0008740300000000, -0.0004158200000000, -0.0003224100000000 ] - [ -0.0000172300000000, 0.0003789800000000, 0.0034504000000000 ] - [ 0.0002027800000000, -0.0001888700000000, -0.0000354700000000 ] - [ -0.0003084100000000, -0.0003225900000000, 0.0001249100000000 ] - [ 0.0005771400000000, -0.0002907600000000, 0.0005904900000000 ] - [ 0.0002863000000000, 0.0004864400000000, -0.0038740000000000 ] - [ 0.0001744300000000, -0.0001821100000000, 0.0001807800000000 ] - [ -0.0003118700000000, -0.0002371900000000, -0.0000949700000000 ] - [ 0.0007190000000000, -0.0003520900000000, -0.0000878100000000 ] - [ 0.0008147000000000, 0.0046527800000000, 0.0001751000000000 ] - [ 0.0009864800000000, 0.0006408200000000, -0.0000671200000000 ] - [ -0.0001047000000000, -0.0027648200000000, -0.0000362800000000 ] - [ 0.0003106900000000, 0.0000587200000000, 0.0000103900000000 ] - [ -0.0001743300000000, 0.0003639200000000, 0.0000652500000000 ] - [ 0.0003346200000000, 0.0002872700000000, 0.0000078500000000 ] - [ -0.0002026100000000, 0.0001633000000000, 0.0000901500000000 ] - [ 0.0001045100000000, -0.0008165800000000, -0.0034067500000000 ] - [ 0.0010005600000000, -0.0000135400000000, 0.0003917400000000 ] - [ -0.0001783800000000, -0.0001103500000000, -0.0000559000000000 ] - [ 0.0003303600000000, -0.0002386600000000, 0.0001052600000000 ] - [ 0.0004138100000000, -0.0009305800000000, 0.0039616200000000 ] - [ 0.0007087400000000, -0.0001470400000000, -0.0005253700000000 ] - [ -0.0001872600000000, -0.0001927200000000, 0.0001676900000000 ] - [ 0.0003040200000000, -0.0002436400000000, -0.0001089100000000 ] - [ 0.0040764500000000, 0.0000085200000000, 0.0000149000000000 ] - [ -0.0009635400000000, 0.0000113200000000, -0.0000045800000000 ] - [ 0.0011285100000000, 0.0000159000000000, -0.0000063800000000 ] - [ -0.0005070200000000, 0.0000164900000000, -0.0000050600000000 ] - [ 0.0033717800000000, 0.0000155900000000, -0.0000008000000000 ] - [ -0.0007832800000000, 0.0000133900000000, -0.0000054400000000 ] - [ 0.0005220700000000, 0.0000110600000000, -0.0000025900000000 ] - [ -0.0004138800000000, 0.0000164300000000, -0.0000053200000000 ] - [ 0.0026746700000000, -0.0001645700000000, 0.0000136700000000 ] - [ -0.0007920100000000, -0.0001612600000000, 0.0000157400000000 ] - [ 0.0041318000000000, -0.0001728900000000, 0.0000138800000000 ] - [ -0.0009118500000000, -0.0001607800000000, 0.0000114400000000 ] - [ 0.0011024700000000, -0.0001603900000000, 0.0000170700000000 ] - [ -0.0004994900000000, -0.0001599500000000, 0.0000144800000000 ] - [ 0.0006147900000000, -0.0001566700000000, 0.0000095900000000 ] - [ -0.0004883300000000, -0.0001605900000000, 0.0000123500000000 ] - [ -0.0003205100000000, 0.0010048200000000, 0.0000536700000000 ] - [ -0.0003198900000000, -0.0010329800000000, -0.0000654200000000 ] - [ -0.0023317300000000, -0.0022028400000000, 0.0001375500000000 ] - [ -0.0023114000000000, 0.0021684100000000, -0.0001506800000000 ] - [ -0.0000632200000000, 0.0001473400000000, 0.0000390000000000 ] - [ -0.0000645900000000, -0.0001743900000000, -0.0000487900000000 ] - [ -0.0000218800000000, -0.0003447600000000, -0.0000219000000000 ] - [ -0.0000235800000000, 0.0003153100000000, 0.0000128000000000 ] - [ -0.0023154800000000, -0.0000150600000000, 0.0021819100000000 ] - [ -0.0022935800000000, 0.0003398300000000, -0.0021480900000000 ] - [ -0.0000687800000000, 0.0002815800000000, 0.0002526900000000 ] - [ -0.0000653000000000, 0.0000396800000000, -0.0002237500000000 ] - [ -0.0003365700000000, 0.0000921700000000, -0.0010804500000000 ] - [ -0.0003361800000000, 0.0002306700000000, 0.0011062900000000 ] - [ -0.0000230300000000, 0.0002154500000000, -0.0000993600000000 ] - [ -0.0000256600000000, 0.0001067500000000, 0.0001303000000000 ] - [ 0.0016266400000000, 0.0018551300000000, 0.0016741600000000 ] - [ -0.0012462100000000, -0.0006358100000000, -0.0004252200000000 ] - [ 0.0012384800000000, -0.0008229900000000, 0.0011264200000000 ] - [ -0.0012463100000000, -0.0001716700000000, -0.0004651200000000 ] - [ 0.0009085300000000, 0.0006554700000000, -0.0005306600000000 ] - [ -0.0010047700000000, -0.0005260600000000, -0.0000710700000000 ] - [ 0.0007013700000000, -0.0001689800000000, -0.0000287000000000 ] - [ -0.0009582700000000, -0.0002505600000000, -0.0001033200000000 ] - [ 0.0174362700000000, -0.0044203700000000, 0.0039697700000000 ] - [ -0.0027459200000000, -0.0003309900000000, 0.0003665400000000 ] - [ 0.0006497900000000, 0.0000788900000000, -0.0002546000000000 ] - [ -0.0001742600000000, 0.0002231300000000, -0.0000113600000000 ] - [ 0.0006456100000000, 0.0002425700000000, 0.0000569000000000 ] - [ -0.0002181600000000, 0.0000687900000000, -0.0001288400000000 ] - [ 0.0004288300000000, 0.0001919100000000, -0.0000591200000000 ] - [ 0.0000573000000000, 0.0001975300000000, -0.0001130500000000 ] - [ -0.0032769200000000, 0.0007669000000000, -0.0006034100000000 ] - [ 0.0157971900000000, 0.0045456100000000, -0.0039304300000000 ] - [ -0.0007214100000000, 0.0001983500000000, -0.0002200900000000 ] - [ 0.0000971500000000, 0.0003441300000000, 0.0000210100000000 ] - [ -0.0007645700000000, 0.0003552700000000, -0.0000989100000000 ] - [ 0.0000936500000000, 0.0001826300000000, -0.0002838900000000 ] - [ -0.0004874800000000, 0.0002248100000000, -0.0001179800000000 ] - [ -0.0001203900000000, 0.0002325300000000, -0.0001670100000000 ] - [ -0.0006996100000000, 0.0002137400000000, 0.0001951000000000 ] - [ 0.0021655600000000, -0.0022749300000000, -0.0019019900000000 ] - [ -0.0007044900000000, -0.0002542400000000, 0.0002417600000000 ] - [ 0.0017714200000000, 0.0004045900000000, -0.0013493400000000 ] - [ -0.0004545500000000, 0.0001017700000000, -0.0001585400000000 ] - [ 0.0014432500000000, -0.0010722200000000, 0.0003077800000000 ] - [ -0.0004123100000000, -0.0001753200000000, -0.0001251500000000 ] - [ 0.0012430200000000, -0.0002573800000000, -0.0001948800000000 ] - [ -0.0579148400000000, 0.0002733700000000, -0.0003837100000000 ] - [ 0.0011702400000000, -0.0001161400000000, -0.0000291700000000 ] - [ -0.0004913400000000, -0.0001163600000000, -0.0000297100000000 ] - [ 0.0004277300000000, -0.0001155900000000, -0.0000303300000000 ] - [ -0.0004676600000000, -0.0001144400000000, -0.0000305900000000 ] - [ 0.0004482700000000, -0.0001159900000000, -0.0000311100000000 ] - [ -0.0002793400000000, -0.0001164600000000, -0.0000307200000000 ] - [ 0.0002386900000000, -0.0001156100000000, -0.0000296900000000 ] - [ 0.0002002700000000, -0.0002896000000000, -0.0003380900000000 ] - [ 0.0002005200000000, 0.0005188600000000, 0.0002753200000000 ] - [ 0.0002088300000000, 0.0006947800000000, -0.0006139400000000 ] - [ 0.0002105700000000, -0.0004601700000000, 0.0005486500000000 ] - [ 0.0001994600000000, -0.0003615100000000, 0.0004180700000000 ] - [ 0.0002007100000000, 0.0005929200000000, -0.0004795000000000 ] - [ 0.0002079900000000, 0.0006389800000000, 0.0006539100000000 ] - [ 0.0002095600000000, -0.0004060500000000, -0.0007092300000000 ] - [ 0.0117782300000000, 0.0009235500000000, -0.0012657300000000 ] - [ 0.0116796500000000, -0.0021188600000000, 0.0016828900000000 ] - [ 0.0000500900000000, -0.0011113400000000, 0.0000266200000000 ] - [ 0.0000544400000000, -0.0000253300000000, 0.0003387900000000 ] - [ 0.0000498000000000, -0.0003864400000000, 0.0006732500000000 ] - [ 0.0000546900000000, -0.0007503600000000, -0.0003085700000000 ] - [ 0.0000745300000000, -0.0007361800000000, 0.0002328800000000 ] - [ 0.0000771100000000, -0.0004017100000000, 0.0001305100000000 ] - [ -0.0026260700000000, 0.0005726100000000, 0.0001753500000000 ] - [ 0.0013293200000000, 0.0005698700000000, 0.0001838400000000 ] - [ -0.0034990400000000, 0.0005561200000000, 0.0001641600000000 ] - [ 0.0013915800000000, 0.0005692900000000, 0.0001848200000000 ] - [ -0.0049068200000000, 0.0005734600000000, 0.0001854900000000 ] - [ 0.0015554600000000, 0.0005682500000000, 0.0001835500000000 ] - [ -0.0041846700000000, 0.0005486800000000, 0.0001935000000000 ] - [ 0.0016615600000000, 0.0005708900000000, 0.0001815600000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0046189200000000, 0.0036377200000000, -0.0000122200000000 ] - [ 0.0000362800000000, 0.0002073600000000, 0.0000440600000000 ] - [ 0.0029010200000000, 0.0033084900000000, -0.0001390800000000 ] - [ -0.0001788200000000, 0.0003164600000000, 0.0000215800000000 ] - [ -0.0004064800000000, 0.0000074800000000, -0.0000687800000000 ] - [ -0.0000341700000000, 0.0001634100000000, 0.0000314600000000 ] - [ 0.0003267600000000, 0.0003955000000000, 0.0002937300000000 ] - [ -0.0001273100000000, 0.0002645200000000, 0.0000442800000000 ] - [ -0.0001054000000000, -0.0002755100000000, 0.0000780700000000 ] - [ 0.0001937100000000, -0.0018240000000000, 0.0010980400000000 ] - [ -0.0000452000000000, -0.0001422700000000, 0.0000395500000000 ] - [ -0.0000189800000000, 0.0007641100000000, -0.0000570300000000 ] - [ -0.0000862000000000, -0.0002979900000000, -0.0000418500000000 ] - [ 0.0003687600000000, -0.0019241900000000, -0.0010914000000000 ] - [ -0.0000361500000000, -0.0001361100000000, 0.0000306600000000 ] - [ -0.0000606100000000, 0.0008652700000000, 0.0001025600000000 ] - [ -0.0000362800000000, 0.0002073600000000, 0.0000440600000000 ] - [ 0.0046189200000000, 0.0036377200000000, -0.0000122200000000 ] - [ 0.0001788200000000, 0.0003164600000000, 0.0000215800000000 ] - [ -0.0029010200000000, 0.0033084900000000, -0.0001390800000000 ] - [ 0.0000341700000000, 0.0001634100000000, 0.0000314600000000 ] - [ 0.0004064800000000, 0.0000074800000000, -0.0000687800000000 ] - [ 0.0001273100000000, 0.0002645200000000, 0.0000442800000000 ] - [ -0.0003267600000000, 0.0003955000000000, 0.0002937300000000 ] - [ -0.0001937100000000, -0.0018240000000000, 0.0010980400000000 ] - [ 0.0001054000000000, -0.0002755100000000, 0.0000780700000000 ] - [ 0.0000189800000000, 0.0007641100000000, -0.0000570300000000 ] - [ 0.0000452000000000, -0.0001422700000000, 0.0000395500000000 ] - [ -0.0003687600000000, -0.0019241900000000, -0.0010914000000000 ] - [ 0.0000862000000000, -0.0002979900000000, -0.0000418500000000 ] - [ 0.0000606100000000, 0.0008652700000000, 0.0001025600000000 ] - [ 0.0000361500000000, -0.0001361100000000, 0.0000306600000000 ] - [ 0.0000000000000000, 0.0032099000000000, -0.0005029000000000 ] - [ 0.0000000000000000, 0.0001128300000000, -0.0000329900000000 ] - [ 0.0000000000000000, -0.0018935700000000, -0.0001969700000000 ] - [ 0.0000000000000000, -0.0000963200000000, -0.0000146100000000 ] - [ 0.0000000000000000, 0.0034860100000000, -0.0022266500000000 ] - [ 0.0000000000000000, 0.0001259900000000, 0.0000281900000000 ] - [ 0.0000000000000000, -0.0023976700000000, 0.0013939800000000 ] - [ 0.0000000000000000, -0.0000907200000000, 0.0000146800000000 ] - [ 0.0000000000000000, -0.0051542000000000, 0.0040587000000000 ] - [ 0.0000000000000000, -0.0002070000000000, 0.0000543800000000 ] - [ 0.0000000000000000, 0.0061621400000000, -0.0012003000000000 ] - [ 0.0000000000000000, -0.0001358600000000, 0.0000093100000000 ] - [ 0.0000000000000000, -0.0003125100000000, -0.0009092600000000 ] - [ 0.0000000000000000, -0.0001683400000000, -0.0000260400000000 ] - [ 0.0000000000000000, -0.0001259500000000, 0.0005217600000000 ] - [ 0.0000000000000000, -0.0001441800000000, 0.0000051600000000 ] - [ 0.0005123700000000, -0.0008380300000000, 0.0000036700000000 ] - [ -0.0005123700000000, -0.0008380300000000, 0.0000036700000000 ] - [ -0.0009944700000000, 0.0014081700000000, -0.0000582900000000 ] - [ 0.0009944700000000, 0.0014081700000000, -0.0000582900000000 ] - [ 0.0002220900000000, -0.0003786800000000, -0.0000639400000000 ] - [ -0.0002220900000000, -0.0003786800000000, -0.0000639400000000 ] - [ -0.0003024500000000, 0.0003749600000000, 0.0000002200000000 ] - [ 0.0003024500000000, 0.0003749600000000, 0.0000002200000000 ] - [ 0.0002449200000000, 0.0009610700000000, -0.0004159900000000 ] - [ -0.0002449200000000, 0.0009610700000000, -0.0004159900000000 ] - [ -0.0000804500000000, -0.0003483600000000, 0.0000178000000000 ] - [ 0.0000804500000000, -0.0003483600000000, 0.0000178000000000 ] - [ -0.0000424300000000, 0.0005681100000000, 0.0001426700000000 ] - [ 0.0000424300000000, 0.0005681100000000, 0.0001426700000000 ] - [ -0.0000681300000000, -0.0002241300000000, -0.0000067400000000 ] - [ 0.0000681300000000, -0.0002241300000000, -0.0000067400000000 ] - [ 0.0005489700000000, -0.0019341700000000, -0.0026082400000000 ] - [ -0.0003491200000000, -0.0002151700000000, -0.0001626600000000 ] - [ -0.0008041100000000, -0.0014231600000000, 0.0016403200000000 ] - [ -0.0001854400000000, -0.0002118100000000, -0.0000843900000000 ] - [ 0.0005504200000000, -0.0000170600000000, 0.0014519700000000 ] - [ -0.0003131900000000, -0.0002036500000000, -0.0000790300000000 ] - [ -0.0016758100000000, -0.0009255300000000, -0.0023435700000000 ] - [ -0.0001877700000000, -0.0002193500000000, -0.0001144200000000 ] - [ -0.0043215900000000, 0.0043750600000000, -0.0013718000000000 ] - [ -0.0002661400000000, 0.0004899800000000, -0.0001890900000000 ] - [ -0.0002503400000000, -0.0011068300000000, -0.0000346100000000 ] - [ 0.0003149000000000, -0.0000594300000000, -0.0000605500000000 ] - [ 0.0001997900000000, 0.0008319100000000, -0.0001598700000000 ] - [ 0.0003286500000000, 0.0003679900000000, -0.0001622000000000 ] - [ 0.0001057600000000, -0.0004209500000000, -0.0000997500000000 ] - [ 0.0002858300000000, 0.0000614700000000, -0.0000952300000000 ] - [ 0.0002661400000000, 0.0004899800000000, -0.0001890900000000 ] - [ 0.0043215900000000, 0.0043750600000000, -0.0013718000000000 ] - [ -0.0003149000000000, -0.0000594300000000, -0.0000605500000000 ] - [ 0.0002503400000000, -0.0011068300000000, -0.0000346100000000 ] - [ -0.0003286500000000, 0.0003679900000000, -0.0001622000000000 ] - [ -0.0001997900000000, 0.0008319100000000, -0.0001598700000000 ] - [ -0.0002858300000000, 0.0000614700000000, -0.0000952300000000 ] - [ -0.0001057600000000, -0.0004209500000000, -0.0000997500000000 ] - [ 0.0003491200000000, -0.0002151700000000, -0.0001626600000000 ] - [ -0.0005489700000000, -0.0019341700000000, -0.0026082400000000 ] - [ 0.0001854400000000, -0.0002118100000000, -0.0000843900000000 ] - [ 0.0008041100000000, -0.0014231600000000, 0.0016403200000000 ] - [ 0.0003131900000000, -0.0002036500000000, -0.0000790300000000 ] - [ -0.0005504200000000, -0.0000170600000000, 0.0014519700000000 ] - [ 0.0001877700000000, -0.0002193500000000, -0.0001144200000000 ] - [ 0.0016758100000000, -0.0009255300000000, -0.0023435700000000 ] - [ 0.0000000000000000, -0.0241398700000000, 0.0023560000000000 ] - [ 0.0000000000000000, -0.0002110000000000, -0.0000280000000000 ] - [ 0.0000000000000000, 0.0018477900000000, 0.0000139300000000 ] - [ 0.0000000000000000, -0.0000496000000000, -0.0000351800000000 ] - [ 0.0000000000000000, -0.0008616700000000, -0.0000016100000000 ] - [ 0.0000000000000000, -0.0001660800000000, -0.0000361800000000 ] - [ 0.0000000000000000, 0.0006154800000000, -0.0000337200000000 ] - [ 0.0000000000000000, -0.0000646100000000, -0.0000305600000000 ] - [ -0.0004753200000000, 0.0002197700000000, 0.0000969400000000 ] - [ 0.0004753200000000, 0.0002197700000000, 0.0000969400000000 ] - [ 0.0005230000000000, 0.0000663900000000, -0.0001713300000000 ] - [ -0.0005230000000000, 0.0000663900000000, -0.0001713300000000 ] - [ -0.0004026600000000, 0.0002200000000000, -0.0001359900000000 ] - [ 0.0004026600000000, 0.0002200000000000, -0.0001359900000000 ] - [ 0.0005769300000000, 0.0000667500000000, 0.0000551400000000 ] - [ -0.0005769300000000, 0.0000667500000000, 0.0000551400000000 ] - [ -0.0002936200000000, -0.0035050400000000, 0.0007903300000000 ] - [ 0.0002936200000000, -0.0035050400000000, 0.0007903300000000 ] - [ 0.0002898200000000, 0.0007296400000000, 0.0000851100000000 ] - [ -0.0002898200000000, 0.0007296400000000, 0.0000851100000000 ] - [ 0.0001352100000000, -0.0012374300000000, 0.0001842200000000 ] - [ -0.0001352100000000, -0.0012374300000000, 0.0001842200000000 ] - [ 0.0001341600000000, 0.0001447300000000, 0.0002059700000000 ] - [ -0.0001341600000000, 0.0001447300000000, 0.0002059700000000 ] - [ 0.0000000000000000, 0.0030193900000000, -0.0069588500000000 ] - [ 0.0000000000000000, 0.0006961700000000, 0.0001161100000000 ] - [ 0.0000000000000000, 0.0030083700000000, 0.0133514500000000 ] - [ 0.0000000000000000, 0.0004172900000000, 0.0001712000000000 ] - [ 0.0000000000000000, 0.0038496300000000, 0.0033607100000000 ] - [ 0.0000000000000000, 0.0007086200000000, 0.0002672700000000 ] - [ 0.0000000000000000, 0.0026477300000000, -0.0069168700000000 ] - [ 0.0000000000000000, 0.0004168900000000, 0.0001673200000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0045501300000000, -0.0032392800000000, 0.0000815200000000 ] - [ -0.0001660300000000, 0.0002276900000000, 0.0000240200000000 ] - [ -0.0030034900000000, -0.0028490200000000, 0.0002105600000000 ] - [ 0.0000509000000000, 0.0001079200000000, 0.0000472900000000 ] - [ 0.0002793700000000, 0.0004263500000000, 0.0001382800000000 ] - [ -0.0000954600000000, 0.0002663200000000, 0.0000395100000000 ] - [ -0.0004563700000000, 0.0000328400000000, -0.0002254300000000 ] - [ -0.0000005500000000, 0.0001622800000000, 0.0000278000000000 ] - [ -0.0000251200000000, -0.0001552300000000, -0.0000076800000000 ] - [ -0.0003154100000000, 0.0014037900000000, -0.0010155200000000 ] - [ -0.0000830800000000, -0.0002924900000000, 0.0000274500000000 ] - [ -0.0001118500000000, -0.0011929300000000, 0.0001266800000000 ] - [ -0.0000431200000000, -0.0001306000000000, 0.0001112000000000 ] - [ -0.0004914000000000, 0.0015048700000000, 0.0011443700000000 ] - [ -0.0000911900000000, -0.0002927000000000, 0.0000404500000000 ] - [ -0.0000681200000000, -0.0012948300000000, -0.0000332000000000 ] - [ 0.0001660300000000, 0.0002276900000000, 0.0000240200000000 ] - [ -0.0045501300000000, -0.0032392800000000, 0.0000815200000000 ] - [ -0.0000509000000000, 0.0001079200000000, 0.0000472900000000 ] - [ 0.0030034900000000, -0.0028490200000000, 0.0002105600000000 ] - [ 0.0000954600000000, 0.0002663200000000, 0.0000395100000000 ] - [ -0.0002793700000000, 0.0004263500000000, 0.0001382800000000 ] - [ 0.0000005500000000, 0.0001622800000000, 0.0000278000000000 ] - [ 0.0004563700000000, 0.0000328400000000, -0.0002254300000000 ] - [ 0.0003154100000000, 0.0014037900000000, -0.0010155200000000 ] - [ 0.0000251200000000, -0.0001552300000000, -0.0000076800000000 ] - [ 0.0001118500000000, -0.0011929300000000, 0.0001266800000000 ] - [ 0.0000830800000000, -0.0002924900000000, 0.0000274500000000 ] - [ 0.0004914000000000, 0.0015048700000000, 0.0011443700000000 ] - [ 0.0000431200000000, -0.0001306000000000, 0.0001112000000000 ] - [ 0.0000681200000000, -0.0012948300000000, -0.0000332000000000 ] - [ 0.0000911900000000, -0.0002927000000000, 0.0000404500000000 ] - [ 0.0000000000000000, -0.0031980100000000, 0.0004992600000000 ] - [ 0.0000000000000000, -0.0001144900000000, 0.0000259000000000 ] - [ 0.0000000000000000, 0.0019022400000000, 0.0001946600000000 ] - [ 0.0000000000000000, 0.0000993700000000, 0.0000084500000000 ] - [ 0.0000000000000000, -0.0034590800000000, 0.0022313500000000 ] - [ 0.0000000000000000, -0.0001117200000000, -0.0000344100000000 ] - [ 0.0000000000000000, 0.0024106800000000, -0.0014108100000000 ] - [ 0.0000000000000000, 0.0000997300000000, -0.0000201200000000 ] - [ 0.0000000000000000, 0.0048406800000000, -0.0040716900000000 ] - [ 0.0000000000000000, -0.0001146800000000, -0.0000349200000000 ] - [ 0.0000000000000000, -0.0059002200000000, 0.0014340000000000 ] - [ 0.0000000000000000, -0.0001812200000000, 0.0000081400000000 ] - [ 0.0000000000000000, -0.0000074900000000, 0.0009284800000000 ] - [ 0.0000000000000000, -0.0001510900000000, 0.0000402800000000 ] - [ 0.0000000000000000, -0.0001772600000000, -0.0005147900000000 ] - [ 0.0000000000000000, -0.0001738100000000, 0.0000040400000000 ] - [ -0.0005217500000000, 0.0008346300000000, -0.0000091600000000 ] - [ 0.0005217500000000, 0.0008346300000000, -0.0000091600000000 ] - [ 0.0009923900000000, -0.0013969700000000, 0.0000520100000000 ] - [ -0.0009923900000000, -0.0013969700000000, 0.0000520100000000 ] - [ -0.0002251200000000, 0.0003739700000000, 0.0000586000000000 ] - [ 0.0002251200000000, 0.0003739700000000, 0.0000586000000000 ] - [ 0.0002968600000000, -0.0003764000000000, -0.0000056200000000 ] - [ -0.0002968600000000, -0.0003764000000000, -0.0000056200000000 ] - [ -0.0002349200000000, -0.0006389900000000, 0.0004211100000000 ] - [ 0.0002349200000000, -0.0006389900000000, 0.0004211100000000 ] - [ 0.0000801000000000, 0.0006693900000000, -0.0000040600000000 ] - [ -0.0000801000000000, 0.0006693900000000, -0.0000040600000000 ] - [ 0.0000403600000000, -0.0002479800000000, -0.0001253000000000 ] - [ -0.0000403600000000, -0.0002479800000000, -0.0001253000000000 ] - [ 0.0000601500000000, 0.0005447900000000, 0.0000214800000000 ] - [ -0.0000601500000000, 0.0005447900000000, 0.0000214800000000 ] - [ -0.0010867000000000, 0.0015211400000000, 0.0024078500000000 ] - [ -0.0001769100000000, -0.0001961700000000, -0.0000617300000000 ] - [ 0.0002760300000000, 0.0010101200000000, -0.0018396100000000 ] - [ -0.0003365200000000, -0.0001984400000000, -0.0001304900000000 ] - [ -0.0010864000000000, -0.0003992200000000, -0.0016858100000000 ] - [ -0.0002179200000000, -0.0002134000000000, -0.0001439100000000 ] - [ 0.0011494400000000, 0.0005166400000000, 0.0021211000000000 ] - [ -0.0003481400000000, -0.0002002700000000, -0.0001103200000000 ] - [ 0.0048686200000000, -0.0039151900000000, 0.0011531100000000 ] - [ 0.0007815600000000, -0.0000708500000000, -0.0000304500000000 ] - [ 0.0007733200000000, 0.0015212400000000, -0.0001832300000000 ] - [ 0.0002153600000000, 0.0004722300000000, -0.0001652300000000 ] - [ 0.0003295500000000, -0.0004170900000000, -0.0000625800000000 ] - [ 0.0002009900000000, 0.0000499200000000, -0.0000562000000000 ] - [ 0.0004208800000000, 0.0008331000000000, -0.0001249100000000 ] - [ 0.0002462100000000, 0.0003581400000000, -0.0001251700000000 ] - [ -0.0007815600000000, -0.0000708500000000, -0.0000304500000000 ] - [ -0.0048686200000000, -0.0039151900000000, 0.0011531100000000 ] - [ -0.0002153600000000, 0.0004722300000000, -0.0001652300000000 ] - [ -0.0007733200000000, 0.0015212400000000, -0.0001832300000000 ] - [ -0.0002009900000000, 0.0000499200000000, -0.0000562000000000 ] - [ -0.0003295500000000, -0.0004170900000000, -0.0000625800000000 ] - [ -0.0002462100000000, 0.0003581400000000, -0.0001251700000000 ] - [ -0.0004208800000000, 0.0008331000000000, -0.0001249100000000 ] - [ 0.0001769100000000, -0.0001961700000000, -0.0000617300000000 ] - [ 0.0010867000000000, 0.0015211400000000, 0.0024078500000000 ] - [ 0.0003365200000000, -0.0001984400000000, -0.0001304900000000 ] - [ -0.0002760300000000, 0.0010101200000000, -0.0018396100000000 ] - [ 0.0002179200000000, -0.0002134000000000, -0.0001439100000000 ] - [ 0.0010864000000000, -0.0003992200000000, -0.0016858100000000 ] - [ 0.0003481400000000, -0.0002002700000000, -0.0001103200000000 ] - [ -0.0011494400000000, 0.0005166400000000, 0.0021211000000000 ] - [ 0.0000000000000000, 0.0231530100000000, -0.0027115100000000 ] - [ 0.0000000000000000, -0.0000233100000000, -0.0000410400000000 ] - [ 0.0000000000000000, -0.0020869000000000, -0.0000808300000000 ] - [ 0.0000000000000000, -0.0001849600000000, -0.0000342400000000 ] - [ 0.0000000000000000, 0.0006314000000000, -0.0000650300000000 ] - [ 0.0000000000000000, -0.0000678600000000, -0.0000323200000000 ] - [ 0.0000000000000000, -0.0008526700000000, -0.0000353600000000 ] - [ 0.0000000000000000, -0.0001695300000000, -0.0000373300000000 ] - [ 0.0004787100000000, 0.0000172000000000, -0.0001664700000000 ] - [ -0.0004787100000000, 0.0000172000000000, -0.0001664700000000 ] - [ -0.0005216900000000, 0.0001655200000000, 0.0001026400000000 ] - [ 0.0005216900000000, 0.0001655200000000, 0.0001026400000000 ] - [ 0.0004052400000000, 0.0000172500000000, 0.0000666300000000 ] - [ -0.0004052400000000, 0.0000172500000000, 0.0000666300000000 ] - [ -0.0005775600000000, 0.0001662200000000, -0.0001243800000000 ] - [ 0.0005775600000000, 0.0001662200000000, -0.0001243800000000 ] - [ 0.0002552300000000, 0.0023389300000000, -0.0004175200000000 ] - [ -0.0002552300000000, 0.0023389300000000, -0.0004175200000000 ] - [ -0.0002818800000000, -0.0018716300000000, 0.0002775500000000 ] - [ 0.0002818800000000, -0.0018716300000000, 0.0002775500000000 ] - [ -0.0001355400000000, 0.0000963400000000, 0.0001794300000000 ] - [ 0.0001355400000000, 0.0000963400000000, 0.0001794300000000 ] - [ -0.0001292000000000, -0.0012864700000000, 0.0001579500000000 ] - [ 0.0001292000000000, -0.0012864700000000, 0.0001579500000000 ] - [ 0.0000000000000000, -0.0018915100000000, 0.0073791600000000 ] - [ 0.0000000000000000, 0.0004483700000000, 0.0002464800000000 ] - [ 0.0000000000000000, -0.0018531800000000, -0.0129324700000000 ] - [ 0.0000000000000000, 0.0007251500000000, 0.0001964400000000 ] - [ 0.0000000000000000, -0.0027210900000000, -0.0030230500000000 ] - [ 0.0000000000000000, 0.0004338200000000, 0.0000971500000000 ] - [ 0.0000000000000000, -0.0015546300000000, 0.0072165500000000 ] - [ 0.0000000000000000, 0.0007249100000000, 0.0002003900000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002521500000000, 0.0004883400000000, -0.0019884100000000 ] - [ -0.0000755000000000, 0.0001621000000000, -0.0000730500000000 ] - [ 0.0001566200000000, 0.0000907200000000, -0.0018017200000000 ] - [ -0.0000956200000000, 0.0002543800000000, -0.0000550100000000 ] - [ -0.0001570800000000, 0.0001739000000000, 0.0008517100000000 ] - [ -0.0000550300000000, 0.0001990700000000, 0.0001205000000000 ] - [ -0.0003089000000000, 0.0002042100000000, 0.0011209800000000 ] - [ -0.0000569300000000, 0.0002216300000000, 0.0001191200000000 ] - [ -0.0001881700000000, -0.0002055700000000, 0.0000968100000000 ] - [ 0.0033106100000000, 0.0008933100000000, 0.0031694500000000 ] - [ -0.0001292300000000, -0.0002162300000000, 0.0000544100000000 ] - [ 0.0003496900000000, -0.0005984600000000, 0.0002196100000000 ] - [ 0.0000319800000000, -0.0002402400000000, 0.0000496200000000 ] - [ -0.0041394000000000, -0.0015657800000000, 0.0029810900000000 ] - [ -0.0000338200000000, -0.0001980500000000, 0.0000225200000000 ] - [ -0.0004267000000000, 0.0001374500000000, -0.0000508200000000 ] - [ 0.0000755000000000, 0.0001621000000000, -0.0000730500000000 ] - [ 0.0002521500000000, 0.0004883400000000, -0.0019884100000000 ] - [ 0.0000956200000000, 0.0002543800000000, -0.0000550100000000 ] - [ -0.0001566200000000, 0.0000907200000000, -0.0018017200000000 ] - [ 0.0000550300000000, 0.0001990700000000, 0.0001205000000000 ] - [ 0.0001570800000000, 0.0001739000000000, 0.0008517100000000 ] - [ 0.0000569300000000, 0.0002216300000000, 0.0001191200000000 ] - [ 0.0003089000000000, 0.0002042100000000, 0.0011209800000000 ] - [ -0.0033106100000000, 0.0008933100000000, 0.0031694500000000 ] - [ 0.0001881700000000, -0.0002055700000000, 0.0000968100000000 ] - [ -0.0003496900000000, -0.0005984600000000, 0.0002196100000000 ] - [ 0.0001292300000000, -0.0002162300000000, 0.0000544100000000 ] - [ 0.0041394000000000, -0.0015657800000000, 0.0029810900000000 ] - [ -0.0000319800000000, -0.0002402400000000, 0.0000496200000000 ] - [ 0.0004267000000000, 0.0001374500000000, -0.0000508200000000 ] - [ 0.0000338200000000, -0.0001980500000000, 0.0000225200000000 ] - [ 0.0000000000000000, 0.0004874100000000, 0.0094650800000000 ] - [ 0.0000000000000000, -0.0000014200000000, 0.0000033300000000 ] - [ 0.0000000000000000, -0.0006324400000000, -0.0000410100000000 ] - [ 0.0000000000000000, -0.0000112800000000, -0.0000042300000000 ] - [ 0.0000000000000000, -0.0039964300000000, -0.0046576000000000 ] - [ 0.0000000000000000, -0.0000325400000000, -0.0000288000000000 ] - [ 0.0000000000000000, 0.0003116100000000, -0.0002613600000000 ] - [ 0.0000000000000000, 0.0000294400000000, -0.0000087400000000 ] - [ 0.0000000000000000, 0.0019120900000000, 0.0012786200000000 ] - [ 0.0000000000000000, -0.0001192800000000, 0.0000594000000000 ] - [ 0.0000000000000000, -0.0005068100000000, 0.0037967100000000 ] - [ 0.0000000000000000, -0.0001917400000000, 0.0000611600000000 ] - [ 0.0000000000000000, -0.0003730500000000, -0.0015035200000000 ] - [ 0.0000000000000000, -0.0001586000000000, -0.0000593300000000 ] - [ 0.0000000000000000, 0.0014681800000000, -0.0033197900000000 ] - [ 0.0000000000000000, -0.0001599400000000, -0.0000668200000000 ] - [ -0.0000604200000000, 0.0000637800000000, 0.0003997700000000 ] - [ 0.0000604200000000, 0.0000637800000000, 0.0003997700000000 ] - [ -0.0003684700000000, -0.0003356800000000, 0.0008130500000000 ] - [ 0.0003684700000000, -0.0003356800000000, 0.0008130500000000 ] - [ 0.0001052300000000, -0.0000171400000000, -0.0003588100000000 ] - [ -0.0001052300000000, -0.0000171400000000, -0.0003588100000000 ] - [ 0.0001511700000000, -0.0000130100000000, -0.0005312900000000 ] - [ -0.0001511700000000, -0.0000130100000000, -0.0005312900000000 ] - [ 0.0009916600000000, -0.0000292900000000, 0.0014184000000000 ] - [ -0.0009916600000000, -0.0000292900000000, 0.0014184000000000 ] - [ 0.0003004600000000, 0.0002540400000000, 0.0004624000000000 ] - [ -0.0003004600000000, 0.0002540400000000, 0.0004624000000000 ] - [ -0.0005644500000000, 0.0002040100000000, -0.0008690100000000 ] - [ 0.0005644500000000, 0.0002040100000000, -0.0008690100000000 ] - [ -0.0001931100000000, 0.0000542500000000, -0.0003701300000000 ] - [ 0.0001931100000000, 0.0000542500000000, -0.0003701300000000 ] - [ 0.0005322800000000, -0.0026566600000000, -0.0010542200000000 ] - [ -0.0003437400000000, -0.0002198000000000, -0.0000840300000000 ] - [ 0.0010100300000000, 0.0024258900000000, -0.0000265900000000 ] - [ -0.0003310100000000, -0.0002093000000000, -0.0000747800000000 ] - [ -0.0006707000000000, 0.0008196800000000, -0.0009090500000000 ] - [ -0.0002126700000000, -0.0001658500000000, -0.0001446400000000 ] - [ -0.0014500100000000, -0.0021268200000000, -0.0009285400000000 ] - [ -0.0002156400000000, -0.0002353200000000, -0.0001438400000000 ] - [ 0.0041771800000000, -0.0010914300000000, 0.0037432600000000 ] - [ 0.0007632900000000, 0.0001416500000000, 0.0001592400000000 ] - [ -0.0000738600000000, 0.0000814200000000, 0.0005312800000000 ] - [ 0.0003020900000000, 0.0001636100000000, 0.0000467200000000 ] - [ 0.0009043000000000, 0.0002379400000000, -0.0014827100000000 ] - [ 0.0001861700000000, 0.0002584500000000, -0.0003779500000000 ] - [ 0.0005694200000000, 0.0003025300000000, -0.0007442200000000 ] - [ 0.0002028400000000, 0.0002157100000000, -0.0002498800000000 ] - [ -0.0007632900000000, 0.0001416500000000, 0.0001592400000000 ] - [ -0.0041771800000000, -0.0010914300000000, 0.0037432600000000 ] - [ -0.0003020900000000, 0.0001636100000000, 0.0000467200000000 ] - [ 0.0000738600000000, 0.0000814200000000, 0.0005312800000000 ] - [ -0.0001861700000000, 0.0002584500000000, -0.0003779500000000 ] - [ -0.0009043000000000, 0.0002379400000000, -0.0014827100000000 ] - [ -0.0002028400000000, 0.0002157100000000, -0.0002498800000000 ] - [ -0.0005694200000000, 0.0003025300000000, -0.0007442200000000 ] - [ 0.0003437400000000, -0.0002198000000000, -0.0000840300000000 ] - [ -0.0005322800000000, -0.0026566600000000, -0.0010542200000000 ] - [ 0.0003310100000000, -0.0002093000000000, -0.0000747800000000 ] - [ -0.0010100300000000, 0.0024258900000000, -0.0000265900000000 ] - [ 0.0002126700000000, -0.0001658500000000, -0.0001446400000000 ] - [ 0.0006707000000000, 0.0008196800000000, -0.0009090500000000 ] - [ 0.0002156400000000, -0.0002353200000000, -0.0001438400000000 ] - [ 0.0014500100000000, -0.0021268200000000, -0.0009285400000000 ] - [ 0.0000000000000000, 0.0022477500000000, -0.0301936600000000 ] - [ 0.0000000000000000, -0.0001103500000000, -0.0001244100000000 ] - [ 0.0000000000000000, -0.0000684600000000, -0.0008858300000000 ] - [ 0.0000000000000000, -0.0001163300000000, -0.0000897100000000 ] - [ 0.0000000000000000, -0.0000851600000000, 0.0023263900000000 ] - [ 0.0000000000000000, -0.0001192700000000, 0.0000378300000000 ] - [ 0.0000000000000000, -0.0001154800000000, 0.0006790400000000 ] - [ 0.0000000000000000, -0.0001126600000000, 0.0000217000000000 ] - [ -0.0004477100000000, 0.0002172300000000, 0.0000008400000000 ] - [ 0.0004477100000000, 0.0002172300000000, 0.0000008400000000 ] - [ -0.0006796700000000, 0.0000275900000000, 0.0000408100000000 ] - [ 0.0006796700000000, 0.0000275900000000, 0.0000408100000000 ] - [ 0.0003071900000000, -0.0000146800000000, -0.0000012400000000 ] - [ -0.0003071900000000, -0.0000146800000000, -0.0000012400000000 ] - [ 0.0005821600000000, 0.0002543300000000, 0.0000378200000000 ] - [ -0.0005821600000000, 0.0002543300000000, 0.0000378200000000 ] - [ 0.0003468800000000, 0.0000614400000000, -0.0026879700000000 ] - [ -0.0003468800000000, 0.0000614400000000, -0.0026879700000000 ] - [ 0.0001168200000000, -0.0005444700000000, -0.0006916500000000 ] - [ -0.0001168200000000, -0.0005444700000000, -0.0006916500000000 ] - [ -0.0003871100000000, -0.0007227900000000, 0.0016317500000000 ] - [ 0.0003871100000000, -0.0007227900000000, 0.0016317500000000 ] - [ -0.0002073500000000, -0.0005598500000000, 0.0009010300000000 ] - [ 0.0002073500000000, -0.0005598500000000, 0.0009010300000000 ] - [ 0.0000000000000000, -0.0022997400000000, 0.0016732300000000 ] - [ 0.0000000000000000, 0.0005091600000000, 0.0001527500000000 ] - [ 0.0000000000000000, 0.0138226400000000, 0.0053062200000000 ] - [ 0.0000000000000000, 0.0006207600000000, 0.0001492800000000 ] - [ 0.0000000000000000, 0.0035510600000000, 0.0025650400000000 ] - [ 0.0000000000000000, 0.0005938700000000, 0.0002550900000000 ] - [ 0.0000000000000000, -0.0102058000000000, 0.0065722000000000 ] - [ 0.0000000000000000, 0.0005783100000000, 0.0002564600000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001054200000000, -0.0000368100000000, 0.0020644100000000 ] - [ -0.0000544500000000, 0.0002657900000000, 0.0001451600000000 ] - [ -0.0002959200000000, 0.0003287200000000, 0.0018738700000000 ] - [ -0.0000342600000000, 0.0001760200000000, 0.0001248100000000 ] - [ 0.0000260000000000, 0.0002564600000000, -0.0007817900000000 ] - [ -0.0000766800000000, 0.0002289200000000, -0.0000494500000000 ] - [ 0.0001773300000000, 0.0002223400000000, -0.0010494800000000 ] - [ -0.0000757100000000, 0.0002085100000000, -0.0000501200000000 ] - [ 0.0000548000000000, -0.0002310000000000, -0.0000298700000000 ] - [ -0.0034739300000000, -0.0013338100000000, -0.0031317300000000 ] - [ -0.0000018200000000, -0.0002115600000000, 0.0000164500000000 ] - [ -0.0004830700000000, 0.0001689300000000, -0.0001460300000000 ] - [ -0.0001630100000000, -0.0001924900000000, 0.0000158400000000 ] - [ 0.0039577300000000, 0.0011185500000000, -0.0028856100000000 ] - [ -0.0000966600000000, -0.0002287000000000, 0.0000481600000000 ] - [ 0.0002943100000000, -0.0005721900000000, 0.0001137800000000 ] - [ 0.0000544500000000, 0.0002657900000000, 0.0001451600000000 ] - [ -0.0001054200000000, -0.0000368100000000, 0.0020644100000000 ] - [ 0.0000342600000000, 0.0001760200000000, 0.0001248100000000 ] - [ 0.0002959200000000, 0.0003287200000000, 0.0018738700000000 ] - [ 0.0000766800000000, 0.0002289200000000, -0.0000494500000000 ] - [ -0.0000260000000000, 0.0002564600000000, -0.0007817900000000 ] - [ 0.0000757100000000, 0.0002085100000000, -0.0000501200000000 ] - [ -0.0001773300000000, 0.0002223400000000, -0.0010494800000000 ] - [ 0.0034739300000000, -0.0013338100000000, -0.0031317300000000 ] - [ -0.0000548000000000, -0.0002310000000000, -0.0000298700000000 ] - [ 0.0004830700000000, 0.0001689300000000, -0.0001460300000000 ] - [ 0.0000018200000000, -0.0002115600000000, 0.0000164500000000 ] - [ -0.0039577300000000, 0.0011185500000000, -0.0028856100000000 ] - [ 0.0001630100000000, -0.0001924900000000, 0.0000158400000000 ] - [ -0.0002943100000000, -0.0005721900000000, 0.0001137800000000 ] - [ 0.0000966600000000, -0.0002287000000000, 0.0000481600000000 ] - [ 0.0000000000000000, -0.0002800700000000, -0.0103053700000000 ] - [ 0.0000000000000000, 0.0000043700000000, -0.0000088600000000 ] - [ 0.0000000000000000, 0.0006437700000000, 0.0000353700000000 ] - [ 0.0000000000000000, 0.0000143100000000, -0.0000016900000000 ] - [ 0.0000000000000000, 0.0039890800000000, 0.0047325300000000 ] - [ 0.0000000000000000, 0.0000323300000000, 0.0000253800000000 ] - [ 0.0000000000000000, -0.0003097900000000, 0.0002645300000000 ] - [ 0.0000000000000000, -0.0000236500000000, 0.0000053200000000 ] - [ 0.0000000000000000, -0.0022490000000000, -0.0012356700000000 ] - [ 0.0000000000000000, -0.0002016900000000, -0.0000434100000000 ] - [ 0.0000000000000000, 0.0002135000000000, -0.0037554500000000 ] - [ 0.0000000000000000, -0.0001281500000000, -0.0000441000000000 ] - [ 0.0000000000000000, 0.0000530500000000, 0.0015226500000000 ] - [ 0.0000000000000000, -0.0001633300000000, 0.0000799400000000 ] - [ 0.0000000000000000, -0.0017761300000000, 0.0033236000000000 ] - [ 0.0000000000000000, -0.0001586800000000, 0.0000767600000000 ] - [ 0.0000611700000000, -0.0000683700000000, -0.0004056100000000 ] - [ -0.0000611700000000, -0.0000683700000000, -0.0004056100000000 ] - [ 0.0003768200000000, 0.0003400200000000, -0.0008192900000000 ] - [ -0.0003768200000000, 0.0003400200000000, -0.0008192900000000 ] - [ -0.0001053700000000, 0.0000101800000000, 0.0003544200000000 ] - [ 0.0001053700000000, 0.0000101800000000, 0.0003544200000000 ] - [ -0.0001529000000000, 0.0000161500000000, 0.0005271300000000 ] - [ 0.0001529000000000, 0.0000161500000000, 0.0005271300000000 ] - [ -0.0009963300000000, 0.0003497700000000, -0.0014194900000000 ] - [ 0.0009963300000000, 0.0003497700000000, -0.0014194900000000 ] - [ -0.0002985300000000, 0.0000671700000000, -0.0004489900000000 ] - [ 0.0002985300000000, 0.0000671700000000, -0.0004489900000000 ] - [ 0.0005595200000000, 0.0001161200000000, 0.0008824300000000 ] - [ -0.0005595200000000, 0.0001161200000000, 0.0008824300000000 ] - [ 0.0001881000000000, 0.0002676300000000, 0.0003878900000000 ] - [ -0.0001881000000000, 0.0002676300000000, 0.0003878900000000 ] - [ -0.0010673600000000, 0.0022583900000000, 0.0008275400000000 ] - [ -0.0001870400000000, -0.0001943000000000, -0.0001401200000000 ] - [ -0.0015474700000000, -0.0028528100000000, -0.0001993900000000 ] - [ -0.0002005600000000, -0.0002043600000000, -0.0001490800000000 ] - [ 0.0001385800000000, -0.0012226900000000, 0.0006867700000000 ] - [ -0.0003162200000000, -0.0002466800000000, -0.0000781200000000 ] - [ 0.0009210300000000, 0.0017018800000000, 0.0007145300000000 ] - [ -0.0003125000000000, -0.0001808200000000, -0.0000750100000000 ] - [ -0.0036519000000000, 0.0015144400000000, -0.0040072400000000 ] - [ -0.0002482300000000, 0.0002718800000000, -0.0003804100000000 ] - [ 0.0006041000000000, 0.0003349000000000, -0.0007526200000000 ] - [ 0.0002285400000000, 0.0002505800000000, -0.0002719300000000 ] - [ -0.0003786100000000, 0.0001777300000000, 0.0012640900000000 ] - [ 0.0003443100000000, 0.0001577400000000, 0.0001568800000000 ] - [ -0.0000395100000000, 0.0001114300000000, 0.0005199600000000 ] - [ 0.0003275900000000, 0.0001991700000000, 0.0000281200000000 ] - [ 0.0002482300000000, 0.0002718800000000, -0.0003804100000000 ] - [ 0.0036519000000000, 0.0015144400000000, -0.0040072400000000 ] - [ -0.0002285400000000, 0.0002505800000000, -0.0002719300000000 ] - [ -0.0006041000000000, 0.0003349000000000, -0.0007526200000000 ] - [ -0.0003443100000000, 0.0001577400000000, 0.0001568800000000 ] - [ 0.0003786100000000, 0.0001777300000000, 0.0012640900000000 ] - [ -0.0003275900000000, 0.0001991700000000, 0.0000281200000000 ] - [ 0.0000395100000000, 0.0001114300000000, 0.0005199600000000 ] - [ 0.0001870400000000, -0.0001943000000000, -0.0001401200000000 ] - [ 0.0010673600000000, 0.0022583900000000, 0.0008275400000000 ] - [ 0.0002005600000000, -0.0002043600000000, -0.0001490800000000 ] - [ 0.0015474700000000, -0.0028528100000000, -0.0001993900000000 ] - [ 0.0003162200000000, -0.0002466800000000, -0.0000781200000000 ] - [ -0.0001385800000000, -0.0012226900000000, 0.0006867700000000 ] - [ 0.0003125000000000, -0.0001808200000000, -0.0000750100000000 ] - [ -0.0009210300000000, 0.0017018800000000, 0.0007145300000000 ] - [ 0.0000000000000000, -0.0028179900000000, 0.0309328100000000 ] - [ 0.0000000000000000, -0.0001230200000000, 0.0000593600000000 ] - [ 0.0000000000000000, -0.0001648000000000, 0.0008232000000000 ] - [ 0.0000000000000000, -0.0001169700000000, 0.0000254700000000 ] - [ 0.0000000000000000, -0.0001475700000000, -0.0023834800000000 ] - [ 0.0000000000000000, -0.0001148500000000, -0.0001039400000000 ] - [ 0.0000000000000000, -0.0001173600000000, -0.0007445500000000 ] - [ 0.0000000000000000, -0.0001198100000000, -0.0000871900000000 ] - [ 0.0004490300000000, 0.0000156700000000, -0.0000657300000000 ] - [ -0.0004490300000000, 0.0000156700000000, -0.0000657300000000 ] - [ 0.0006817000000000, 0.0002063100000000, -0.0001040400000000 ] - [ -0.0006817000000000, 0.0002063100000000, -0.0001040400000000 ] - [ -0.0003062700000000, 0.0002484500000000, -0.0000661400000000 ] - [ 0.0003062700000000, 0.0002484500000000, -0.0000661400000000 ] - [ -0.0005796700000000, -0.0000207500000000, -0.0001075800000000 ] - [ 0.0005796700000000, -0.0000207500000000, -0.0001075800000000 ] - [ -0.0003830900000000, -0.0012070800000000, 0.0030758500000000 ] - [ 0.0003830900000000, -0.0012070800000000, 0.0030758500000000 ] - [ -0.0001151400000000, -0.0005931900000000, 0.0010569300000000 ] - [ 0.0001151400000000, -0.0005931900000000, 0.0010569300000000 ] - [ 0.0003926900000000, -0.0004154700000000, -0.0012653000000000 ] - [ -0.0003926900000000, -0.0004154700000000, -0.0012653000000000 ] - [ 0.0002071600000000, -0.0005769700000000, -0.0005385600000000 ] - [ -0.0002071600000000, -0.0005769700000000, -0.0005385600000000 ] - [ 0.0000000000000000, 0.0034144700000000, -0.0013389700000000 ] - [ 0.0000000000000000, 0.0006293000000000, 0.0002072100000000 ] - [ 0.0000000000000000, -0.0125467300000000, -0.0049374600000000 ] - [ 0.0000000000000000, 0.0005173400000000, 0.0002094900000000 ] - [ 0.0000000000000000, -0.0024319300000000, -0.0022102600000000 ] - [ 0.0000000000000000, 0.0005475400000000, 0.0001061200000000 ] - [ 0.0000000000000000, 0.0113708400000000, -0.0062716200000000 ] - [ 0.0000000000000000, 0.0005620200000000, 0.0001097400000000 ]- atom: 113 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0020165500000000, 0.0132015900000000, 0.0023676200000000 ] - [ 0.0018179600000000, 0.0000140200000000, -0.0000679300000000 ] - [ -0.0013104300000000, -0.0074749800000000, -0.0005532600000000 ] - [ 0.0016124400000000, 0.0005967000000000, -0.0001102100000000 ] - [ -0.0012634400000000, 0.0001167500000000, -0.0006206200000000 ] - [ 0.0010104200000000, 0.0002306900000000, 0.0003570100000000 ] - [ -0.0011347600000000, 0.0000893600000000, -0.0003198000000000 ] - [ 0.0009971200000000, 0.0003865700000000, 0.0003811100000000 ] - [ -0.0009346900000000, -0.0013224700000000, -0.0096571500000000 ] - [ 0.0015542400000000, -0.0000895600000000, 0.0004286000000000 ] - [ -0.0011309900000000, 0.0001216800000000, -0.0001848600000000 ] - [ 0.0009341000000000, -0.0004252600000000, 0.0002324900000000 ] - [ 0.0017912000000000, -0.0012416400000000, 0.0124269000000000 ] - [ 0.0018835200000000, -0.0001125400000000, -0.0001241400000000 ] - [ -0.0012553000000000, -0.0000245600000000, -0.0001637300000000 ] - [ 0.0011003600000000, -0.0004849600000000, 0.0000902700000000 ] - [ 0.0021443600000000, -0.0128322200000000, -0.0022780600000000 ] - [ 0.0019497600000000, 0.0004111100000000, 0.0001381800000000 ] - [ -0.0011888000000000, 0.0079635500000000, 0.0006137200000000 ] - [ 0.0017375200000000, -0.0001627000000000, 0.0001761900000000 ] - [ -0.0011404000000000, 0.0003129400000000, 0.0006864100000000 ] - [ 0.0011401700000000, 0.0001978000000000, -0.0002915200000000 ] - [ -0.0010144300000000, 0.0003401700000000, 0.0003882600000000 ] - [ 0.0011252200000000, 0.0000415500000000, -0.0003115900000000 ] - [ -0.0008049700000000, 0.0008685600000000, 0.0096496500000000 ] - [ 0.0016863400000000, -0.0003463900000000, -0.0003611900000000 ] - [ -0.0009960000000000, -0.0005487200000000, 0.0002553700000000 ] - [ 0.0010632900000000, -0.0000075700000000, -0.0001658900000000 ] - [ 0.0019134400000000, 0.0007761600000000, -0.0123190600000000 ] - [ 0.0020108100000000, -0.0003239900000000, 0.0001947700000000 ] - [ -0.0011211900000000, -0.0004075000000000, 0.0002280800000000 ] - [ 0.0012267900000000, 0.0000578100000000, -0.0000199200000000 ] - [ -0.0027362500000000, 0.0021844300000000, -0.0035618300000000 ] - [ -0.0027582900000000, -0.0021992700000000, 0.0035873600000000 ] - [ -0.0007880000000000, -0.0011929900000000, -0.0002496700000000 ] - [ -0.0007787700000000, 0.0012011800000000, 0.0002439900000000 ] - [ -0.0033157200000000, 0.0024067100000000, 0.0032383800000000 ] - [ -0.0033137500000000, -0.0023953600000000, -0.0032586100000000 ] - [ -0.0004326400000000, -0.0015208100000000, 0.0006274200000000 ] - [ -0.0004315200000000, 0.0015206300000000, -0.0006352000000000 ] - [ -0.0032200400000000, -0.0032791100000000, 0.0015695900000000 ] - [ -0.0032019500000000, 0.0029495100000000, -0.0015674700000000 ] - [ -0.0026132200000000, 0.0033879100000000, 0.0018748500000000 ] - [ -0.0026216400000000, -0.0037276700000000, -0.0018932600000000 ] - [ -0.0008851800000000, -0.0003800100000000, -0.0009745600000000 ] - [ -0.0008782500000000, 0.0000586000000000, 0.0009946700000000 ] - [ -0.0001628100000000, 0.0007241800000000, -0.0009651100000000 ] - [ -0.0001613300000000, -0.0010521000000000, 0.0009894100000000 ] - [ 0.0058060300000000, -0.0000006900000000, -0.0000038400000000 ] - [ -0.0019343700000000, -0.0000055000000000, -0.0000045800000000 ] - [ 0.0474482500000000, -0.0004707500000000, -0.0000646900000000 ] - [ -0.0022248900000000, -0.0000050100000000, -0.0000051500000000 ] - [ 0.0019018900000000, -0.0000076900000000, -0.0000016800000000 ] - [ -0.0014756600000000, -0.0000008800000000, -0.0000025200000000 ] - [ 0.0014545100000000, 0.0000010000000000, -0.0000051500000000 ] - [ -0.0015945700000000, -0.0000076000000000, -0.0000024300000000 ] - [ 0.0474081600000000, 0.0001986700000000, 0.0004826200000000 ] - [ -0.0021644000000000, 0.0001619400000000, 0.0000111800000000 ] - [ 0.0015919200000000, 0.0001606900000000, 0.0000020100000000 ] - [ -0.0015396900000000, 0.0001586300000000, 0.0000064700000000 ] - [ 0.0063534800000000, 0.0001578900000000, 0.0000025700000000 ] - [ -0.0020303400000000, 0.0001608500000000, 0.0000073700000000 ] - [ 0.0017727000000000, 0.0001576000000000, 0.0000054200000000 ] - [ -0.0015656200000000, 0.0001594200000000, 0.0000042100000000 ] - [ -0.0020128100000000, -0.0039279200000000, -0.0045717700000000 ] - [ -0.0022413100000000, 0.0000928200000000, 0.0002362500000000 ] - [ -0.0001023200000000, 0.0020789200000000, -0.0016473700000000 ] - [ -0.0020087700000000, -0.0012597500000000, -0.0000855000000000 ] - [ -0.0016058900000000, -0.0033595600000000, 0.0036742300000000 ] - [ -0.0024745300000000, -0.0002502000000000, -0.0010802800000000 ] - [ 0.0010938000000000, 0.0013883100000000, 0.0010626500000000 ] - [ -0.0023649900000000, -0.0015384000000000, -0.0013155000000000 ] - [ 0.1815035100000000, 0.0718129400000000, -0.0654935300000000 ] - [ -0.0038169800000000, -0.0003256600000000, 0.0004314200000000 ] - [ 0.0027996500000000, 0.0005565700000000, -0.0005341600000000 ] - [ -0.0019738500000000, -0.0003366300000000, 0.0003367500000000 ] - [ 0.0030449000000000, 0.0011111500000000, -0.0003626800000000 ] - [ -0.0019351900000000, -0.0001635500000000, 0.0002950000000000 ] - [ 0.0021312400000000, 0.0007046200000000, -0.0004667900000000 ] - [ -0.0014545500000000, -0.0002295200000000, 0.0001559200000000 ] - [ 0.1887900800000000, -0.0763984800000000, 0.0698290200000000 ] - [ -0.0043489800000000, 0.0007459700000000, -0.0006579500000000 ] - [ 0.0022888800000000, -0.0001445000000000, 0.0003213500000000 ] - [ -0.0025073200000000, 0.0007459100000000, -0.0005632700000000 ] - [ 0.0025322300000000, -0.0006971800000000, 0.0001501300000000 ] - [ -0.0024677100000000, 0.0005813800000000, -0.0005161600000000 ] - [ 0.0016061900000000, -0.0002914600000000, 0.0002430500000000 ] - [ -0.0019814200000000, 0.0006463000000000, -0.0003684500000000 ] - [ -0.0014861900000000, 0.0035383500000000, 0.0043701600000000 ] - [ -0.0017143200000000, -0.0005057200000000, -0.0004514200000000 ] - [ 0.0004520100000000, -0.0025115100000000, 0.0014340900000000 ] - [ -0.0014811100000000, 0.0008404700000000, -0.0001287200000000 ] - [ -0.0010585600000000, 0.0029329900000000, -0.0038843100000000 ] - [ -0.0019535100000000, -0.0001627200000000, 0.0008614300000000 ] - [ 0.0016417100000000, -0.0018010800000000, -0.0012899400000000 ] - [ -0.0018348600000000, 0.0011201300000000, 0.0010827700000000 ] - [ 0.0116710200000000, -0.0004039600000000, 0.0003394800000000 ] - [ 0.0117872000000000, 0.0001443700000000, -0.0003876600000000 ] - [ 0.0000545100000000, 0.0001709600000000, 0.0000806300000000 ] - [ 0.0000499200000000, -0.0004024000000000, -0.0001468100000000 ] - [ 0.0000565700000000, 0.0000160300000000, -0.0004251500000000 ] - [ 0.0000503500000000, -0.0002548700000000, 0.0003532900000000 ] - [ 0.0000771700000000, 0.0000148100000000, -0.0002426900000000 ] - [ 0.0000739100000000, -0.0002485500000000, 0.0001720800000000 ] - [ -0.0026263700000000, 0.0001247900000000, -0.0000288400000000 ] - [ 0.0013312500000000, 0.0001163400000000, -0.0000345700000000 ] - [ -0.0034996100000000, 0.0001001500000000, -0.0000123500000000 ] - [ 0.0013941900000000, 0.0001181400000000, -0.0000339600000000 ] - [ -0.0049094800000000, 0.0001222800000000, -0.0000391400000000 ] - [ 0.0015570600000000, 0.0001170400000000, -0.0000338300000000 ] - [ -0.0041849300000000, 0.0001065700000000, -0.0000410500000000 ] - [ 0.0016652200000000, 0.0001171100000000, -0.0000341700000000 ] - [ -0.4805456900000000, 0.0049955600000000, -0.0048093200000000 ] - [ 0.0061460500000000, -0.0005698100000000, 0.0001802400000000 ] - [ -0.0026277100000000, -0.0005731600000000, 0.0001836300000000 ] - [ 0.0038583600000000, -0.0005688600000000, 0.0001826200000000 ] - [ -0.0027605100000000, -0.0005675100000000, 0.0001888000000000 ] - [ 0.0039443100000000, -0.0005702000000000, 0.0001810400000000 ] - [ -0.0035948800000000, -0.0005669400000000, 0.0001799000000000 ] - [ 0.0031452800000000, -0.0005686700000000, 0.0001818100000000 ] - [ 0.0040599300000000, 0.0039434900000000, -0.0030981500000000 ] - [ 0.0040321600000000, -0.0027892800000000, 0.0034575100000000 ] - [ 0.0020865200000000, -0.0048319500000000, -0.0042241500000000 ] - [ 0.0020707700000000, 0.0059771800000000, 0.0046290700000000 ] - [ 0.0040410000000000, 0.0026616600000000, 0.0020834700000000 ] - [ 0.0040499600000000, -0.0015304200000000, -0.0017305300000000 ] - [ 0.0020848900000000, -0.0034546500000000, 0.0026537900000000 ] - [ 0.0020742400000000, 0.0046354000000000, -0.0023088700000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0077011100000000, 0.0099467900000000, -0.0003161200000000 ] - [ -0.0006595600000000, 0.0003016700000000, 0.0000557700000000 ] - [ -0.0129925200000000, 0.0106794700000000, -0.0008480900000000 ] - [ 0.0006166800000000, 0.0003167700000000, 0.0000246100000000 ] - [ -0.0003097300000000, 0.0003902400000000, -0.0001465100000000 ] - [ -0.0003644500000000, 0.0001297400000000, -0.0000506900000000 ] - [ 0.0002110900000000, 0.0000928100000000, 0.0002998500000000 ] - [ 0.0003045100000000, 0.0003071900000000, 0.0000664300000000 ] - [ -0.0018879800000000, -0.0013886000000000, 0.0039027900000000 ] - [ -0.0000806100000000, -0.0006857000000000, 0.0001782400000000 ] - [ 0.0003246000000000, 0.0014073200000000, -0.0006070800000000 ] - [ -0.0000843400000000, 0.0003586400000000, -0.0000263700000000 ] - [ -0.0017014800000000, -0.0021321500000000, -0.0052922600000000 ] - [ 0.0001798400000000, -0.0005807200000000, -0.0001267100000000 ] - [ 0.0006743200000000, 0.0014632900000000, 0.0008531200000000 ] - [ -0.0000907800000000, 0.0002939500000000, 0.0000683700000000 ] - [ -0.0077011100000000, 0.0099467900000000, -0.0003161200000000 ] - [ 0.0006595600000000, 0.0003016700000000, 0.0000557700000000 ] - [ 0.0129925200000000, 0.0106794700000000, -0.0008480900000000 ] - [ -0.0006166800000000, 0.0003167700000000, 0.0000246100000000 ] - [ 0.0003097300000000, 0.0003902400000000, -0.0001465100000000 ] - [ 0.0003644500000000, 0.0001297400000000, -0.0000506900000000 ] - [ -0.0002110900000000, 0.0000928100000000, 0.0002998500000000 ] - [ -0.0003045100000000, 0.0003071900000000, 0.0000664300000000 ] - [ 0.0018879800000000, -0.0013886000000000, 0.0039027900000000 ] - [ 0.0000806100000000, -0.0006857000000000, 0.0001782400000000 ] - [ -0.0003246000000000, 0.0014073200000000, -0.0006070800000000 ] - [ 0.0000843400000000, 0.0003586400000000, -0.0000263700000000 ] - [ 0.0017014800000000, -0.0021321500000000, -0.0052922600000000 ] - [ -0.0001798400000000, -0.0005807200000000, -0.0001267100000000 ] - [ -0.0006743200000000, 0.0014632900000000, 0.0008531200000000 ] - [ 0.0000907800000000, 0.0002939500000000, 0.0000683700000000 ] - [ 0.0000796600000000, 0.0030818700000000, -0.0005537300000000 ] - [ -0.0000796600000000, 0.0030818700000000, -0.0005537300000000 ] - [ -0.0003001300000000, -0.0021876700000000, 0.0000773100000000 ] - [ 0.0003001300000000, -0.0021876700000000, 0.0000773100000000 ] - [ -0.0011982100000000, 0.0035351300000000, 0.0012295800000000 ] - [ 0.0011982100000000, 0.0035351300000000, 0.0012295800000000 ] - [ 0.0000608700000000, -0.0018472400000000, 0.0001638000000000 ] - [ -0.0000608700000000, -0.0018472400000000, 0.0001638000000000 ] - [ -0.0014296100000000, -0.0018000400000000, 0.0009430700000000 ] - [ 0.0014296100000000, -0.0018000400000000, 0.0009430700000000 ] - [ 0.0038342300000000, 0.0011052800000000, -0.0017201600000000 ] - [ -0.0038342300000000, 0.0011052800000000, -0.0017201600000000 ] - [ -0.0007406800000000, -0.0006445400000000, -0.0007271400000000 ] - [ 0.0007406800000000, -0.0006445400000000, -0.0007271400000000 ] - [ 0.0010386700000000, 0.0007778800000000, 0.0011751200000000 ] - [ -0.0010386700000000, 0.0007778800000000, 0.0011751200000000 ] - [ 0.0000000000000000, -0.0129630400000000, -0.0005379800000000 ] - [ 0.0000000000000000, -0.0006833500000000, -0.0000398600000000 ] - [ 0.0000000000000000, 0.2360524000000000, 0.0384882800000000 ] - [ 0.0000000000000000, 0.0008493200000000, -0.0000432100000000 ] - [ 0.0000000000000000, -0.0015630100000000, -0.0002543900000000 ] - [ 0.0000000000000000, -0.0004729800000000, -0.0000156300000000 ] - [ 0.0000000000000000, 0.0025264600000000, -0.0000038100000000 ] - [ 0.0000000000000000, 0.0005200700000000, 0.0000620900000000 ] - [ 0.0000000000000000, 0.0465418300000000, 0.0254181900000000 ] - [ 0.0000000000000000, 0.0006680700000000, -0.0002011200000000 ] - [ 0.0000000000000000, -0.0045610300000000, -0.0002942500000000 ] - [ 0.0000000000000000, -0.0003262000000000, 0.0000044400000000 ] - [ 0.0000000000000000, 0.0040431300000000, 0.0013619400000000 ] - [ 0.0000000000000000, 0.0005450000000000, 0.0001586700000000 ] - [ 0.0000000000000000, -0.0015323800000000, -0.0007159900000000 ] - [ 0.0000000000000000, -0.0002260200000000, 0.0000061000000000 ] - [ -0.0033081800000000, -0.0029349800000000, -0.0031192100000000 ] - [ 0.0007411200000000, -0.0003880400000000, -0.0003004700000000 ] - [ 0.0058389500000000, -0.0007015500000000, 0.0051355700000000 ] - [ -0.0020184400000000, 0.0000357000000000, -0.0000687100000000 ] - [ -0.0017336800000000, -0.0017469900000000, 0.0012053700000000 ] - [ 0.0004879200000000, -0.0002780100000000, 0.0002684300000000 ] - [ 0.0028819800000000, -0.0000209600000000, -0.0023708400000000 ] - [ -0.0013507200000000, 0.0000880300000000, -0.0007469800000000 ] - [ 0.0735835800000000, 0.0800151700000000, -0.0336514900000000 ] - [ 0.0008757200000000, 0.0007955300000000, -0.0002114300000000 ] - [ -0.0000396900000000, -0.0080088500000000, 0.0000773500000000 ] - [ 0.0000295700000000, -0.0003931300000000, -0.0000916400000000 ] - [ 0.0003089300000000, 0.0005182900000000, -0.0005007900000000 ] - [ 0.0003703100000000, 0.0006145300000000, -0.0000854600000000 ] - [ 0.0001418900000000, -0.0006906900000000, 0.0000639200000000 ] - [ 0.0001395200000000, -0.0002427500000000, -0.0000610800000000 ] - [ -0.0735835800000000, 0.0800151700000000, -0.0336514900000000 ] - [ -0.0008757200000000, 0.0007955300000000, -0.0002114300000000 ] - [ 0.0000396900000000, -0.0080088500000000, 0.0000773500000000 ] - [ -0.0000295700000000, -0.0003931300000000, -0.0000916400000000 ] - [ -0.0003089300000000, 0.0005182900000000, -0.0005007900000000 ] - [ -0.0003703100000000, 0.0006145300000000, -0.0000854600000000 ] - [ -0.0001418900000000, -0.0006906900000000, 0.0000639200000000 ] - [ -0.0001395200000000, -0.0002427500000000, -0.0000610800000000 ] - [ 0.0033081800000000, -0.0029349800000000, -0.0031192100000000 ] - [ -0.0007411200000000, -0.0003880400000000, -0.0003004700000000 ] - [ -0.0058389500000000, -0.0007015500000000, 0.0051355700000000 ] - [ 0.0020184400000000, 0.0000357000000000, -0.0000687100000000 ] - [ 0.0017336800000000, -0.0017469900000000, 0.0012053700000000 ] - [ -0.0004879200000000, -0.0002780100000000, 0.0002684300000000 ] - [ -0.0028819800000000, -0.0000209600000000, -0.0023708400000000 ] - [ 0.0013507200000000, 0.0000880300000000, -0.0007469800000000 ] - [ 0.0015268900000000, -0.0030384000000000, 0.0006002600000000 ] - [ -0.0015268900000000, -0.0030384000000000, 0.0006002600000000 ] - [ -0.0005465100000000, 0.0011829900000000, -0.0000076200000000 ] - [ 0.0005465100000000, 0.0011829900000000, -0.0000076200000000 ] - [ 0.0001843600000000, -0.0007846800000000, -0.0001864300000000 ] - [ -0.0001843600000000, -0.0007846800000000, -0.0001864300000000 ] - [ -0.0001678900000000, 0.0005982600000000, -0.0000238100000000 ] - [ 0.0001678900000000, 0.0005982600000000, -0.0000238100000000 ] - [ 0.0000000000000000, 0.0025682200000000, 0.0028092100000000 ] - [ 0.0000000000000000, 0.0002404800000000, 0.0000287300000000 ] - [ 0.0000000000000000, 0.0025617900000000, -0.0132741800000000 ] - [ 0.0000000000000000, -0.0000387100000000, -0.0000842500000000 ] - [ 0.0000000000000000, 0.0033993700000000, -0.0030078300000000 ] - [ 0.0000000000000000, 0.0002543200000000, -0.0000566900000000 ] - [ 0.0000000000000000, 0.0022205100000000, 0.0107805000000000 ] - [ 0.0000000000000000, -0.0000385500000000, -0.0000378200000000 ] - [ 0.0000000000000000, -0.4647971700000000, 0.0052498300000000 ] - [ 0.0000000000000000, -0.0021590200000000, 0.0006392900000000 ] - [ 0.0000000000000000, 0.0173294100000000, 0.0005735100000000 ] - [ 0.0000000000000000, 0.0005291800000000, 0.0001418700000000 ] - [ 0.0000000000000000, -0.0026269800000000, 0.0009028500000000 ] - [ 0.0000000000000000, -0.0014612100000000, 0.0000343700000000 ] - [ 0.0000000000000000, 0.0016408300000000, 0.0007112500000000 ] - [ 0.0000000000000000, 0.0002592800000000, 0.0001251500000000 ] - [ 0.0020933600000000, 0.0032714000000000, -0.0011608700000000 ] - [ -0.0020933600000000, 0.0032714000000000, -0.0011608700000000 ] - [ -0.0040398200000000, -0.0043592800000000, 0.0028698700000000 ] - [ 0.0040398200000000, -0.0043592800000000, 0.0028698700000000 ] - [ 0.0033565800000000, 0.0032660700000000, 0.0014209400000000 ] - [ -0.0033565800000000, 0.0032660700000000, 0.0014209400000000 ] - [ -0.0054177200000000, -0.0043690600000000, -0.0021427400000000 ] - [ 0.0054177200000000, -0.0043690600000000, -0.0021427400000000 ]- atom: 113 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0079527000000000, -0.0095889200000000, 0.0003814600000000 ] - [ 0.0005311000000000, 0.0001307700000000, 0.0000142400000000 ] - [ 0.0127917000000000, -0.0101631700000000, 0.0009360000000000 ] - [ -0.0007450100000000, 0.0001113400000000, 0.0000449200000000 ] - [ 0.0001836200000000, 0.0000431400000000, 0.0002165200000000 ] - [ 0.0002368200000000, 0.0003008400000000, 0.0001194100000000 ] - [ -0.0003380500000000, 0.0003303400000000, -0.0002319000000000 ] - [ -0.0004337100000000, 0.0001192800000000, 0.0000017900000000 ] - [ 0.0017545900000000, 0.0009896500000000, -0.0038107900000000 ] - [ -0.0000464300000000, 0.0002583500000000, -0.0001065200000000 ] - [ -0.0004491100000000, -0.0018399000000000, 0.0006719000000000 ] - [ -0.0000456900000000, -0.0007926900000000, 0.0000964500000000 ] - [ 0.0015676500000000, 0.0017264300000000, 0.0053579200000000 ] - [ -0.0003057900000000, 0.0001515500000000, 0.0001951100000000 ] - [ -0.0008012100000000, -0.0019032800000000, -0.0007794500000000 ] - [ -0.0000392300000000, -0.0007290500000000, 0.0000013900000000 ] - [ 0.0079527000000000, -0.0095889200000000, 0.0003814600000000 ] - [ -0.0005311000000000, 0.0001307700000000, 0.0000142400000000 ] - [ -0.0127917000000000, -0.0101631700000000, 0.0009360000000000 ] - [ 0.0007450100000000, 0.0001113400000000, 0.0000449200000000 ] - [ -0.0001836200000000, 0.0000431400000000, 0.0002165200000000 ] - [ -0.0002368200000000, 0.0003008400000000, 0.0001194100000000 ] - [ 0.0003380500000000, 0.0003303400000000, -0.0002319000000000 ] - [ 0.0004337100000000, 0.0001192800000000, 0.0000017900000000 ] - [ -0.0017545900000000, 0.0009896500000000, -0.0038107900000000 ] - [ 0.0000464300000000, 0.0002583500000000, -0.0001065200000000 ] - [ 0.0004491100000000, -0.0018399000000000, 0.0006719000000000 ] - [ 0.0000456900000000, -0.0007926900000000, 0.0000964500000000 ] - [ -0.0015676500000000, 0.0017264300000000, 0.0053579200000000 ] - [ 0.0003057900000000, 0.0001515500000000, 0.0001951100000000 ] - [ 0.0008012100000000, -0.0019032800000000, -0.0007794500000000 ] - [ 0.0000392300000000, -0.0007290500000000, 0.0000013900000000 ] - [ -0.0000909400000000, -0.0030575500000000, 0.0005341100000000 ] - [ 0.0000909400000000, -0.0030575500000000, 0.0005341100000000 ] - [ 0.0003068200000000, 0.0021948600000000, -0.0000822000000000 ] - [ -0.0003068200000000, 0.0021948600000000, -0.0000822000000000 ] - [ 0.0011890900000000, -0.0035158500000000, -0.0012286600000000 ] - [ -0.0011890900000000, -0.0035158500000000, -0.0012286600000000 ] - [ -0.0000572000000000, 0.0018527000000000, -0.0001738100000000 ] - [ 0.0000572000000000, 0.0018527000000000, -0.0001738100000000 ] - [ 0.0014331300000000, 0.0014698500000000, -0.0009312400000000 ] - [ -0.0014331300000000, 0.0014698500000000, -0.0009312400000000 ] - [ -0.0038317800000000, -0.0014066600000000, 0.0017295400000000 ] - [ 0.0038317800000000, -0.0014066600000000, 0.0017295400000000 ] - [ 0.0007392900000000, 0.0003233800000000, 0.0007507000000000 ] - [ -0.0007392900000000, 0.0003233800000000, 0.0007507000000000 ] - [ -0.0010340100000000, -0.0010875800000000, -0.0011521000000000 ] - [ 0.0010340100000000, -0.0010875800000000, -0.0011521000000000 ] - [ 0.0000000000000000, 0.0131125600000000, 0.0005383300000000 ] - [ 0.0000000000000000, 0.0006766500000000, 0.0000297900000000 ] - [ 0.0000000000000000, -0.2220684700000000, -0.0354872100000000 ] - [ 0.0000000000000000, -0.0008543700000000, 0.0000336100000000 ] - [ 0.0000000000000000, 0.0015470200000000, 0.0002487800000000 ] - [ 0.0000000000000000, 0.0004699500000000, 0.0000078900000000 ] - [ 0.0000000000000000, -0.0025196800000000, -0.0000035400000000 ] - [ 0.0000000000000000, -0.0005287700000000, -0.0000699400000000 ] - [ 0.0000000000000000, -0.0458356000000000, -0.0247263700000000 ] - [ 0.0000000000000000, -0.0003510100000000, 0.0002206200000000 ] - [ 0.0000000000000000, 0.0048985800000000, 0.0003289900000000 ] - [ 0.0000000000000000, 0.0006452100000000, 0.0000146100000000 ] - [ 0.0000000000000000, -0.0037297000000000, -0.0013322700000000 ] - [ 0.0000000000000000, -0.0002274600000000, -0.0001361500000000 ] - [ 0.0000000000000000, 0.0018534200000000, 0.0007274700000000 ] - [ 0.0000000000000000, 0.0005444300000000, 0.0000105600000000 ] - [ 0.0027981300000000, 0.0025137900000000, 0.0029146700000000 ] - [ -0.0012848500000000, -0.0000369800000000, 0.0000816300000000 ] - [ -0.0063303500000000, 0.0002905200000000, -0.0053223900000000 ] - [ 0.0014754000000000, -0.0004483000000000, -0.0001489400000000 ] - [ 0.0012018900000000, 0.0013218100000000, -0.0014348300000000 ] - [ -0.0010270700000000, -0.0001464300000000, -0.0004876000000000 ] - [ -0.0034168600000000, -0.0003851800000000, 0.0021483000000000 ] - [ 0.0008142600000000, -0.0005005100000000, 0.0005229700000000 ] - [ -0.0749863800000000, -0.0796245800000000, 0.0343924300000000 ] - [ -0.0003345900000000, -0.0003856900000000, -0.0000160700000000 ] - [ 0.0005840000000000, 0.0084682800000000, -0.0003070700000000 ] - [ 0.0005072000000000, 0.0008079000000000, -0.0001333000000000 ] - [ 0.0002171900000000, -0.0001093000000000, 0.0002734100000000 ] - [ 0.0001681300000000, -0.0002040100000000, -0.0001409700000000 ] - [ 0.0003974100000000, 0.0011084300000000, -0.0002856100000000 ] - [ 0.0003955200000000, 0.0006587000000000, -0.0001629200000000 ] - [ 0.0749863800000000, -0.0796245800000000, 0.0343924300000000 ] - [ 0.0003345900000000, -0.0003856900000000, -0.0000160700000000 ] - [ -0.0005840000000000, 0.0084682800000000, -0.0003070700000000 ] - [ -0.0005072000000000, 0.0008079000000000, -0.0001333000000000 ] - [ -0.0002171900000000, -0.0001093000000000, 0.0002734100000000 ] - [ -0.0001681300000000, -0.0002040100000000, -0.0001409700000000 ] - [ -0.0003974100000000, 0.0011084300000000, -0.0002856100000000 ] - [ -0.0003955200000000, 0.0006587000000000, -0.0001629200000000 ] - [ -0.0027981300000000, 0.0025137900000000, 0.0029146700000000 ] - [ 0.0012848500000000, -0.0000369800000000, 0.0000816300000000 ] - [ 0.0063303500000000, 0.0002905200000000, -0.0053223900000000 ] - [ -0.0014754000000000, -0.0004483000000000, -0.0001489400000000 ] - [ -0.0012018900000000, 0.0013218100000000, -0.0014348300000000 ] - [ 0.0010270700000000, -0.0001464300000000, -0.0004876000000000 ] - [ 0.0034168600000000, -0.0003851800000000, 0.0021483000000000 ] - [ -0.0008142600000000, -0.0005005100000000, 0.0005229700000000 ] - [ -0.0015143900000000, 0.0028055900000000, -0.0006730000000000 ] - [ 0.0015143900000000, 0.0028055900000000, -0.0006730000000000 ] - [ 0.0005391400000000, -0.0014201300000000, -0.0000581400000000 ] - [ -0.0005391400000000, -0.0014201300000000, -0.0000581400000000 ] - [ -0.0001811000000000, 0.0005481600000000, 0.0001185400000000 ] - [ 0.0001811000000000, 0.0005481600000000, 0.0001185400000000 ] - [ 0.0001668500000000, -0.0008360600000000, -0.0000447700000000 ] - [ -0.0001668500000000, -0.0008360600000000, -0.0000447700000000 ] - [ 0.0000000000000000, -0.0023423800000000, -0.0029108100000000 ] - [ 0.0000000000000000, -0.0000052800000000, -0.0000947300000000 ] - [ 0.0000000000000000, -0.0022973400000000, 0.0130907100000000 ] - [ 0.0000000000000000, 0.0002710400000000, 0.0000180200000000 ] - [ 0.0000000000000000, -0.0031696700000000, 0.0029728400000000 ] - [ 0.0000000000000000, -0.0000195100000000, -0.0000111800000000 ] - [ 0.0000000000000000, -0.0019790500000000, -0.0107980400000000 ] - [ 0.0000000000000000, 0.0002717400000000, -0.0000298300000000 ] - [ 0.0000000000000000, 0.4492488600000000, -0.0105457000000000 ] - [ 0.0000000000000000, 0.0010093000000000, -0.0002721200000000 ] - [ 0.0000000000000000, -0.0186231900000000, -0.0002316500000000 ] - [ 0.0000000000000000, -0.0016750400000000, 0.0002229000000000 ] - [ 0.0000000000000000, 0.0014693000000000, -0.0005294300000000 ] - [ 0.0000000000000000, 0.0003153200000000, 0.0003269100000000 ] - [ 0.0000000000000000, -0.0027846200000000, -0.0003462200000000 ] - [ 0.0000000000000000, -0.0014054400000000, 0.0002356100000000 ] - [ -0.0020977600000000, -0.0021193100000000, 0.0015271000000000 ] - [ 0.0020977600000000, -0.0021193100000000, 0.0015271000000000 ] - [ 0.0040494400000000, 0.0054754500000000, -0.0025029100000000 ] - [ -0.0040494400000000, 0.0054754500000000, -0.0025029100000000 ] - [ -0.0033767900000000, -0.0021235700000000, -0.0010639900000000 ] - [ 0.0033767900000000, -0.0021235700000000, -0.0010639900000000 ] - [ 0.0053919200000000, 0.0054651700000000, 0.0024974600000000 ] - [ -0.0053919200000000, 0.0054651700000000, 0.0024974600000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0006161600000000, -0.0027008200000000, -0.0052447400000000 ] - [ 0.0003229900000000, 0.0001246400000000, -0.0007007400000000 ] - [ -0.0019668500000000, 0.0012688100000000, -0.0029031200000000 ] - [ 0.0002007100000000, 0.0003426600000000, -0.0007765100000000 ] - [ 0.0001597100000000, 0.0007236100000000, 0.0017015600000000 ] - [ -0.0002346600000000, 0.0001819600000000, 0.0006153900000000 ] - [ 0.0002560800000000, -0.0002064100000000, 0.0014638800000000 ] - [ -0.0002692100000000, 0.0001487400000000, 0.0006950900000000 ] - [ -0.0137035300000000, 0.0044400800000000, 0.0083687500000000 ] - [ 0.0006696100000000, 0.0000143400000000, 0.0000244300000000 ] - [ 0.0003449000000000, -0.0007559800000000, -0.0000313100000000 ] - [ 0.0003363700000000, -0.0003625100000000, 0.0001063300000000 ] - [ 0.0064673600000000, -0.0030308000000000, 0.0080930700000000 ] - [ -0.0006983800000000, -0.0003312600000000, 0.0001651000000000 ] - [ -0.0002316300000000, 0.0000396500000000, 0.0003173100000000 ] - [ -0.0003870700000000, -0.0001141000000000, 0.0000375600000000 ] - [ -0.0006161600000000, -0.0027008200000000, -0.0052447400000000 ] - [ -0.0003229900000000, 0.0001246400000000, -0.0007007400000000 ] - [ 0.0019668500000000, 0.0012688100000000, -0.0029031200000000 ] - [ -0.0002007100000000, 0.0003426600000000, -0.0007765100000000 ] - [ -0.0001597100000000, 0.0007236100000000, 0.0017015600000000 ] - [ 0.0002346600000000, 0.0001819600000000, 0.0006153900000000 ] - [ -0.0002560800000000, -0.0002064100000000, 0.0014638800000000 ] - [ 0.0002692100000000, 0.0001487400000000, 0.0006950900000000 ] - [ 0.0137035300000000, 0.0044400800000000, 0.0083687500000000 ] - [ -0.0006696100000000, 0.0000143400000000, 0.0000244300000000 ] - [ -0.0003449000000000, -0.0007559800000000, -0.0000313100000000 ] - [ -0.0003363700000000, -0.0003625100000000, 0.0001063300000000 ] - [ -0.0064673600000000, -0.0030308000000000, 0.0080930700000000 ] - [ 0.0006983800000000, -0.0003312600000000, 0.0001651000000000 ] - [ 0.0002316300000000, 0.0000396500000000, 0.0003173100000000 ] - [ 0.0003870700000000, -0.0001141000000000, 0.0000375600000000 ] - [ -0.0041606500000000, 0.0011060800000000, 0.0000409800000000 ] - [ 0.0041606500000000, 0.0011060800000000, 0.0000409800000000 ] - [ -0.0008100900000000, -0.0010018200000000, -0.0000680300000000 ] - [ 0.0008100900000000, -0.0010018200000000, -0.0000680300000000 ] - [ 0.0018644400000000, -0.0009010200000000, -0.0015202500000000 ] - [ -0.0018644400000000, -0.0009010200000000, -0.0015202500000000 ] - [ 0.0003292200000000, 0.0005586900000000, -0.0004660100000000 ] - [ -0.0003292200000000, 0.0005586900000000, -0.0004660100000000 ] - [ 0.0015629100000000, 0.0014673600000000, -0.0001588200000000 ] - [ -0.0015629100000000, 0.0014673600000000, -0.0001588200000000 ] - [ 0.0016617400000000, -0.0014868900000000, 0.0003522500000000 ] - [ -0.0016617400000000, -0.0014868900000000, 0.0003522500000000 ] - [ -0.0007154300000000, -0.0004841100000000, -0.0012823200000000 ] - [ 0.0007154300000000, -0.0004841100000000, -0.0012823200000000 ] - [ -0.0006429400000000, 0.0003515700000000, -0.0014204700000000 ] - [ 0.0006429400000000, 0.0003515700000000, -0.0014204700000000 ] - [ 0.0000000000000000, 0.0018621300000000, 0.0029854300000000 ] - [ 0.0000000000000000, 0.0000574200000000, 0.0004784500000000 ] - [ 0.0000000000000000, 0.0356030700000000, 0.0499627100000000 ] - [ 0.0000000000000000, -0.0001792900000000, 0.0005777700000000 ] - [ 0.0000000000000000, -0.0008462100000000, -0.0015955600000000 ] - [ 0.0000000000000000, 0.0000008200000000, -0.0004231400000000 ] - [ 0.0000000000000000, -0.0005162800000000, -0.0064433300000000 ] - [ 0.0000000000000000, 0.0000085200000000, -0.0005207700000000 ] - [ 0.0000000000000000, 0.0237373700000000, 0.2279762000000000 ] - [ 0.0000000000000000, 0.0001374600000000, 0.0009391100000000 ] - [ 0.0000000000000000, 0.0002577000000000, 0.0023607500000000 ] - [ 0.0000000000000000, 0.0002774200000000, 0.0006093600000000 ] - [ 0.0000000000000000, -0.0002860300000000, -0.0152861000000000 ] - [ 0.0000000000000000, 0.0001474000000000, -0.0007535000000000 ] - [ 0.0000000000000000, -0.0000570600000000, -0.0015372400000000 ] - [ 0.0000000000000000, 0.0000905100000000, -0.0005275600000000 ] - [ -0.0051705200000000, -0.0037453500000000, 0.0009811400000000 ] - [ 0.0012449500000000, -0.0001026300000000, 0.0003558600000000 ] - [ -0.0028177000000000, 0.0029628300000000, 0.0006192500000000 ] - [ 0.0010827700000000, 0.0005011600000000, 0.0004249200000000 ] - [ 0.0011028300000000, 0.0010978200000000, -0.0017835700000000 ] - [ -0.0010563200000000, -0.0002186900000000, -0.0007427300000000 ] - [ 0.0004062400000000, -0.0012020600000000, -0.0013974400000000 ] - [ -0.0011252900000000, -0.0007685300000000, -0.0007896600000000 ] - [ -0.0688304500000000, -0.0343475500000000, 0.0740688100000000 ] - [ -0.0003930200000000, 0.0001133700000000, 0.0005375100000000 ] - [ 0.0006039200000000, -0.0002642100000000, 0.0003485100000000 ] - [ 0.0000282700000000, 0.0001598400000000, 0.0003868100000000 ] - [ 0.0007165100000000, 0.0002140900000000, -0.0092660600000000 ] - [ 0.0006013800000000, 0.0002258400000000, -0.0007821000000000 ] - [ 0.0003725200000000, 0.0004026700000000, -0.0009558700000000 ] - [ 0.0004747300000000, 0.0002793100000000, -0.0005908100000000 ] - [ 0.0688304500000000, -0.0343475500000000, 0.0740688100000000 ] - [ 0.0003930200000000, 0.0001133700000000, 0.0005375100000000 ] - [ -0.0006039200000000, -0.0002642100000000, 0.0003485100000000 ] - [ -0.0000282700000000, 0.0001598400000000, 0.0003868100000000 ] - [ -0.0007165100000000, 0.0002140900000000, -0.0092660600000000 ] - [ -0.0006013800000000, 0.0002258400000000, -0.0007821000000000 ] - [ -0.0003725200000000, 0.0004026700000000, -0.0009558700000000 ] - [ -0.0004747300000000, 0.0002793100000000, -0.0005908100000000 ] - [ 0.0051705200000000, -0.0037453500000000, 0.0009811400000000 ] - [ -0.0012449500000000, -0.0001026300000000, 0.0003558600000000 ] - [ 0.0028177000000000, 0.0029628300000000, 0.0006192500000000 ] - [ -0.0010827700000000, 0.0005011600000000, 0.0004249200000000 ] - [ -0.0011028300000000, 0.0010978200000000, -0.0017835700000000 ] - [ 0.0010563200000000, -0.0002186900000000, -0.0007427300000000 ] - [ -0.0004062400000000, -0.0012020600000000, -0.0013974400000000 ] - [ 0.0011252900000000, -0.0007685300000000, -0.0007896600000000 ] - [ -0.0014661800000000, 0.0004892300000000, -0.0029184200000000 ] - [ 0.0014661800000000, 0.0004892300000000, -0.0029184200000000 ] - [ -0.0001550900000000, -0.0002142100000000, -0.0009067000000000 ] - [ 0.0001550900000000, -0.0002142100000000, -0.0009067000000000 ] - [ 0.0004863700000000, -0.0001149400000000, 0.0014146100000000 ] - [ -0.0004863700000000, -0.0001149400000000, 0.0014146100000000 ] - [ 0.0000511700000000, -0.0000933600000000, 0.0006863300000000 ] - [ -0.0000511700000000, -0.0000933600000000, 0.0006863300000000 ] - [ 0.0000000000000000, 0.0072755800000000, 0.0014721600000000 ] - [ 0.0000000000000000, 0.0001829100000000, -0.0000610500000000 ] - [ 0.0000000000000000, -0.0129667100000000, 0.0050539800000000 ] - [ 0.0000000000000000, 0.0001309600000000, -0.0000644800000000 ] - [ 0.0000000000000000, -0.0030858100000000, 0.0023499200000000 ] - [ 0.0000000000000000, 0.0000334000000000, 0.0000405800000000 ] - [ 0.0000000000000000, 0.0072285400000000, 0.0064090500000000 ] - [ 0.0000000000000000, 0.0001330200000000, 0.0000375300000000 ] - [ 0.0000000000000000, 0.0093252600000000, -0.4441854800000000 ] - [ 0.0000000000000000, -0.0001169800000000, -0.0015715800000000 ] - [ 0.0000000000000000, -0.0001704300000000, -0.0024019800000000 ] - [ 0.0000000000000000, -0.0006105800000000, -0.0009287600000000 ] - [ 0.0000000000000000, 0.0001567900000000, 0.0220986100000000 ] - [ 0.0000000000000000, -0.0007165400000000, 0.0014926000000000 ] - [ 0.0000000000000000, -0.0000435200000000, 0.0023404700000000 ] - [ 0.0000000000000000, -0.0006263600000000, 0.0011399300000000 ] - [ -0.0019124000000000, -0.0006714000000000, 0.0016056300000000 ] - [ 0.0019124000000000, -0.0006714000000000, 0.0016056300000000 ] - [ -0.0024866000000000, 0.0028926200000000, 0.0018220000000000 ] - [ 0.0024866000000000, 0.0028926200000000, 0.0018220000000000 ] - [ 0.0032706400000000, 0.0019135700000000, 0.0016212200000000 ] - [ -0.0032706400000000, 0.0019135700000000, 0.0016212200000000 ] - [ 0.0044218200000000, -0.0021141000000000, 0.0018393100000000 ] - [ -0.0044218200000000, -0.0021141000000000, 0.0018393100000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0007232800000000, 0.0031472700000000, 0.0053177800000000 ] - [ -0.0004542700000000, 0.0003068400000000, 0.0007722600000000 ] - [ 0.0018498200000000, -0.0008719200000000, 0.0029750300000000 ] - [ -0.0003307700000000, 0.0000869200000000, 0.0008491100000000 ] - [ -0.0002935100000000, -0.0003036000000000, -0.0016299200000000 ] - [ 0.0001070100000000, 0.0002467500000000, -0.0005452800000000 ] - [ -0.0003930200000000, 0.0006423300000000, -0.0013932900000000 ] - [ 0.0001427200000000, 0.0002810700000000, -0.0006250600000000 ] - [ 0.0136488600000000, -0.0049098700000000, -0.0083796400000000 ] - [ -0.0007995800000000, -0.0004476600000000, 0.0000487400000000 ] - [ -0.0004757200000000, 0.0003272600000000, 0.0001063400000000 ] - [ -0.0004657500000000, -0.0000701300000000, -0.0000345100000000 ] - [ -0.0064952500000000, 0.0025657400000000, -0.0079763200000000 ] - [ 0.0005696900000000, -0.0001021100000000, -0.0000981100000000 ] - [ 0.0001020900000000, -0.0004723600000000, -0.0002554500000000 ] - [ 0.0002580500000000, -0.0003195900000000, 0.0000306100000000 ] - [ 0.0007232800000000, 0.0031472700000000, 0.0053177800000000 ] - [ 0.0004542700000000, 0.0003068400000000, 0.0007722600000000 ] - [ -0.0018498200000000, -0.0008719200000000, 0.0029750300000000 ] - [ 0.0003307700000000, 0.0000869200000000, 0.0008491100000000 ] - [ 0.0002935100000000, -0.0003036000000000, -0.0016299200000000 ] - [ -0.0001070100000000, 0.0002467500000000, -0.0005452800000000 ] - [ 0.0003930200000000, 0.0006423300000000, -0.0013932900000000 ] - [ -0.0001427200000000, 0.0002810700000000, -0.0006250600000000 ] - [ -0.0136488600000000, -0.0049098700000000, -0.0083796400000000 ] - [ 0.0007995800000000, -0.0004476600000000, 0.0000487400000000 ] - [ 0.0004757200000000, 0.0003272600000000, 0.0001063400000000 ] - [ 0.0004657500000000, -0.0000701300000000, -0.0000345100000000 ] - [ 0.0064952500000000, 0.0025657400000000, -0.0079763200000000 ] - [ -0.0005696900000000, -0.0001021100000000, -0.0000981100000000 ] - [ -0.0001020900000000, -0.0004723600000000, -0.0002554500000000 ] - [ -0.0002580500000000, -0.0003195900000000, 0.0000306100000000 ] - [ 0.0041737100000000, -0.0011018300000000, -0.0000554800000000 ] - [ -0.0041737100000000, -0.0011018300000000, -0.0000554800000000 ] - [ 0.0008099800000000, 0.0010051100000000, 0.0000613300000000 ] - [ -0.0008099800000000, 0.0010051100000000, 0.0000613300000000 ] - [ -0.0018536500000000, 0.0009074200000000, 0.0015281100000000 ] - [ 0.0018536500000000, 0.0009074200000000, 0.0015281100000000 ] - [ -0.0003278700000000, -0.0005543300000000, 0.0004670900000000 ] - [ 0.0003278700000000, -0.0005543300000000, 0.0004670900000000 ] - [ -0.0015780600000000, -0.0018008200000000, 0.0001832400000000 ] - [ 0.0015780600000000, -0.0018008200000000, 0.0001832400000000 ] - [ -0.0016746300000000, 0.0011747700000000, -0.0003217800000000 ] - [ 0.0016746300000000, 0.0011747700000000, -0.0003217800000000 ] - [ 0.0007188800000000, 0.0001671700000000, 0.0012888500000000 ] - [ -0.0007188800000000, 0.0001671700000000, 0.0012888500000000 ] - [ 0.0006451900000000, -0.0006753500000000, 0.0014333900000000 ] - [ -0.0006451900000000, -0.0006753500000000, 0.0014333900000000 ] - [ 0.0000000000000000, -0.0018843300000000, -0.0029886000000000 ] - [ 0.0000000000000000, -0.0000604800000000, -0.0004850000000000 ] - [ 0.0000000000000000, -0.0359221900000000, -0.0504760300000000 ] - [ 0.0000000000000000, 0.0001759200000000, -0.0005830900000000 ] - [ 0.0000000000000000, 0.0008461900000000, 0.0015894100000000 ] - [ 0.0000000000000000, -0.0000095700000000, 0.0004195900000000 ] - [ 0.0000000000000000, 0.0004883400000000, 0.0064152400000000 ] - [ 0.0000000000000000, -0.0000174400000000, 0.0005195300000000 ] - [ 0.0000000000000000, -0.0255310100000000, -0.2425233200000000 ] - [ 0.0000000000000000, 0.0001858700000000, -0.0009269800000000 ] - [ 0.0000000000000000, 0.0000615800000000, -0.0023616200000000 ] - [ 0.0000000000000000, 0.0000424100000000, -0.0005969800000000 ] - [ 0.0000000000000000, 0.0005988800000000, 0.0150968600000000 ] - [ 0.0000000000000000, 0.0001740400000000, 0.0007687300000000 ] - [ 0.0000000000000000, 0.0003753700000000, 0.0015540900000000 ] - [ 0.0000000000000000, 0.0002277400000000, 0.0005403100000000 ] - [ 0.0046694200000000, 0.0033523100000000, -0.0012051200000000 ] - [ -0.0017726600000000, -0.0003151300000000, -0.0005706000000000 ] - [ 0.0022976700000000, -0.0033845800000000, -0.0008495000000000 ] - [ -0.0016161100000000, -0.0009181800000000, -0.0006451900000000 ] - [ -0.0016175800000000, -0.0015009100000000, 0.0015772100000000 ] - [ 0.0005230800000000, -0.0001956200000000, 0.0005286600000000 ] - [ -0.0009242200000000, 0.0007828000000000, 0.0011824500000000 ] - [ 0.0005934100000000, 0.0003563400000000, 0.0005710100000000 ] - [ 0.0679011600000000, 0.0339846800000000, -0.0745212200000000 ] - [ 0.0009269200000000, 0.0002981500000000, -0.0007581600000000 ] - [ -0.0000842200000000, 0.0006863700000000, -0.0005603200000000 ] - [ 0.0005033700000000, 0.0002545400000000, -0.0006021300000000 ] - [ -0.0001783600000000, 0.0002070500000000, 0.0089953200000000 ] - [ -0.0000730200000000, 0.0001902800000000, 0.0005619600000000 ] - [ 0.0001605300000000, 0.0000148100000000, 0.0007386500000000 ] - [ 0.0000579300000000, 0.0001404900000000, 0.0003737400000000 ] - [ -0.0679011600000000, 0.0339846800000000, -0.0745212200000000 ] - [ -0.0009269200000000, 0.0002981500000000, -0.0007581600000000 ] - [ 0.0000842200000000, 0.0006863700000000, -0.0005603200000000 ] - [ -0.0005033700000000, 0.0002545400000000, -0.0006021300000000 ] - [ 0.0001783600000000, 0.0002070500000000, 0.0089953200000000 ] - [ 0.0000730200000000, 0.0001902800000000, 0.0005619600000000 ] - [ -0.0001605300000000, 0.0000148100000000, 0.0007386500000000 ] - [ -0.0000579300000000, 0.0001404900000000, 0.0003737400000000 ] - [ -0.0046694200000000, 0.0033523100000000, -0.0012051200000000 ] - [ 0.0017726600000000, -0.0003151300000000, -0.0005706000000000 ] - [ -0.0022976700000000, -0.0033845800000000, -0.0008495000000000 ] - [ 0.0016161100000000, -0.0009181800000000, -0.0006451900000000 ] - [ 0.0016175800000000, -0.0015009100000000, 0.0015772100000000 ] - [ -0.0005230800000000, -0.0001956200000000, 0.0005286600000000 ] - [ 0.0009242200000000, 0.0007828000000000, 0.0011824500000000 ] - [ -0.0005934100000000, 0.0003563400000000, 0.0005710100000000 ] - [ 0.0014810600000000, -0.0007189400000000, 0.0028503100000000 ] - [ -0.0014810600000000, -0.0007189400000000, 0.0028503100000000 ] - [ 0.0001576400000000, -0.0000212100000000, 0.0008421200000000 ] - [ -0.0001576400000000, -0.0000212100000000, 0.0008421200000000 ] - [ -0.0004941900000000, -0.0001209100000000, -0.0014819000000000 ] - [ 0.0004941900000000, -0.0001209100000000, -0.0014819000000000 ] - [ -0.0000527200000000, -0.0001411400000000, -0.0007536400000000 ] - [ 0.0000527200000000, -0.0001411400000000, -0.0007536400000000 ] - [ 0.0000000000000000, -0.0070653500000000, -0.0015405500000000 ] - [ 0.0000000000000000, 0.0000513300000000, -0.0000039100000000 ] - [ 0.0000000000000000, 0.0133156700000000, -0.0051840700000000 ] - [ 0.0000000000000000, 0.0001046700000000, -0.0000003000000000 ] - [ 0.0000000000000000, 0.0032965400000000, -0.0024247000000000 ] - [ 0.0000000000000000, 0.0002016500000000, -0.0001097800000000 ] - [ 0.0000000000000000, -0.0069024900000000, -0.0064354800000000 ] - [ 0.0000000000000000, 0.0001023600000000, -0.0001068600000000 ] - [ 0.0000000000000000, -0.0064583300000000, 0.4601517400000000 ] - [ 0.0000000000000000, -0.0010281700000000, 0.0019426800000000 ] - [ 0.0000000000000000, -0.0009769900000000, 0.0027830300000000 ] - [ 0.0000000000000000, -0.0005306600000000, 0.0012966500000000 ] - [ 0.0000000000000000, -0.0012777900000000, -0.0215336000000000 ] - [ 0.0000000000000000, -0.0004255700000000, -0.0011289200000000 ] - [ 0.0000000000000000, -0.0010994500000000, -0.0019777400000000 ] - [ 0.0000000000000000, -0.0005162400000000, -0.0007754300000000 ] - [ 0.0019028700000000, 0.0018137300000000, -0.0012690000000000 ] - [ -0.0019028700000000, 0.0018137300000000, -0.0012690000000000 ] - [ 0.0024755500000000, -0.0017467500000000, -0.0014876600000000 ] - [ -0.0024755500000000, -0.0017467500000000, -0.0014876600000000 ] - [ -0.0032832800000000, -0.0007766900000000, -0.0012527100000000 ] - [ 0.0032832800000000, -0.0007766900000000, -0.0012527100000000 ] - [ -0.0044303600000000, 0.0032581700000000, -0.0014687400000000 ] - [ 0.0044303600000000, 0.0032581700000000, -0.0014687400000000 ]