# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/6de39a46-0b87-4578-a0c1-2156fd0215fb/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 K4Nb8Si(P2O17)2 / P-4m2 (115) / materials id 14873](https://mdr.nims.go.jp/datasets/54261b2e-f1f4-44dd-a53e-ece1bec3200b) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P-4m2" number: 115 Hall_symbol: "P -4 -2"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 10.686093990000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.686093990000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.467831460000000 ] # c points: - symbol: O # 1 coordinates: [ 0.197643840000000, 0.159326290000000, 0.312998000000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.802356160000000, 0.840673710000000, 0.312998000000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.159326290000000, 0.802356160000000, 0.687002000000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.840673710000000, 0.197643840000000, 0.687002000000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.197643840000000, 0.840673710000000, 0.312998000000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.840673710000000, 0.802356160000000, 0.687002000000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.159326290000000, 0.197643840000000, 0.687002000000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.802356160000000, 0.159326290000000, 0.312998000000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.000000000000000, 0.825990120000000, 0.040624230000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.825990120000000, 0.000000000000000, 0.959375770000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.174009880000000, 0.000000000000000, 0.959375770000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.000000000000000, 0.174009880000000, 0.040624230000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.373842830000000, 0.500000000000000, 0.148261700000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.500000000000000, 0.626157170000000, 0.851738300000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.500000000000000, 0.373842830000000, 0.851738300000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.626157170000000, 0.500000000000000, 0.148261700000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.214566060000000, 0.378504810000000, 0.456301530000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.000000000000000, 0.500000000000000, 0.252996280000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.500000000000000, 0.000000000000000, 0.747003720000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.828322070000000, 0.362984710000000, 0.017849620000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.362984710000000, 0.171677930000000, 0.982150380000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.637015290000000, 0.828322070000000, 0.982150380000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.171677930000000, 0.637015290000000, 0.017849620000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.637015290000000, 0.171677930000000, 0.982150380000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.362984710000000, 0.828322070000000, 0.982150380000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.828322070000000, 0.637015290000000, 0.017849620000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.171677930000000, 0.362984710000000, 0.017849620000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.785433940000000, 0.378504810000000, 0.456301530000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.378504810000000, 0.214566060000000, 0.543698470000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.621495190000000, 0.785433940000000, 0.543698470000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.214566060000000, 0.621495190000000, 0.456301530000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.621495190000000, 0.214566060000000, 0.543698470000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.378504810000000, 0.785433940000000, 0.543698470000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.785433940000000, 0.621495190000000, 0.456301530000000 ] mass: 15.999400 - symbol: Si # 35 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 28.085500 - symbol: P # 36 coordinates: [ 0.239999160000000, 0.239999160000000, 0.500000000000000 ] mass: 30.973762 - symbol: P # 37 coordinates: [ 0.760000840000000, 0.239999160000000, 0.500000000000000 ] mass: 30.973762 - symbol: P # 38 coordinates: [ 0.760000840000000, 0.760000840000000, 0.500000000000000 ] mass: 30.973762 - symbol: P # 39 coordinates: [ 0.239999160000000, 0.760000840000000, 0.500000000000000 ] mass: 30.973762 - symbol: K # 40 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 39.098300 - symbol: K # 41 coordinates: [ 0.500000000000000, 0.000000000000000, 0.298398260000000 ] mass: 39.098300 - symbol: K # 42 coordinates: [ 0.000000000000000, 0.500000000000000, 0.701601740000000 ] mass: 39.098300 - symbol: K # 43 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 39.098300 - symbol: Nb # 44 coordinates: [ 0.177636080000000, 0.177636080000000, 0.000000000000000 ] mass: 92.906380 - symbol: Nb # 45 coordinates: [ 0.822363920000000, 0.822363920000000, 0.000000000000000 ] mass: 92.906380 - symbol: Nb # 46 coordinates: [ 0.177636080000000, 0.822363920000000, 0.000000000000000 ] mass: 92.906380 - symbol: Nb # 47 coordinates: [ 0.822363920000000, 0.177636080000000, 0.000000000000000 ] mass: 92.906380 - symbol: Nb # 48 coordinates: [ 0.186186670000000, 0.500000000000000, 0.200784820000000 ] mass: 92.906380 - symbol: Nb # 49 coordinates: [ 0.500000000000000, 0.813813330000000, 0.799215180000000 ] mass: 92.906380 - symbol: Nb # 50 coordinates: [ 0.500000000000000, 0.186186670000000, 0.799215180000000 ] mass: 92.906380 - symbol: Nb # 51 coordinates: [ 0.813813330000000, 0.500000000000000, 0.200784820000000 ] mass: 92.906380 reciprocal_lattice: # without 2pi - [ 0.093579562460876, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.093579562460876, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.154611326251225 ] # c*unit_cell: lattice: - [ 10.686093990000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.686093990000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 6.467831460000000 ] # c points: - symbol: O # 1 coordinates: [ 0.197643840000000, 0.159326290000000, 0.312998000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.802356160000000, 0.840673710000000, 0.312998000000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.159326290000000, 0.802356160000000, 0.687002000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.840673710000000, 0.197643840000000, 0.687002000000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.197643840000000, 0.840673710000000, 0.312998000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.840673710000000, 0.802356160000000, 0.687002000000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.159326290000000, 0.197643840000000, 0.687002000000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.802356160000000, 0.159326290000000, 0.312998000000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.000000000000000, 0.825990120000000, 0.040624230000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.825990120000000, 0.000000000000000, 0.959375770000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.174009880000000, 0.000000000000000, 0.959375770000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.000000000000000, 0.174009880000000, 0.040624230000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.373842830000000, 0.500000000000000, 0.148261700000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.500000000000000, 0.626157170000000, 0.851738300000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.500000000000000, 0.373842830000000, 0.851738300000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.626157170000000, 0.500000000000000, 0.148261700000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.214566060000000, 0.378504810000000, 0.456301530000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.000000000000000, 0.500000000000000, 0.252996280000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.500000000000000, 0.000000000000000, 0.747003720000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.828322070000000, 0.362984710000000, 0.017849620000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.362984710000000, 0.171677930000000, 0.982150380000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.637015290000000, 0.828322070000000, 0.982150380000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.171677930000000, 0.637015290000000, 0.017849620000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.637015290000000, 0.171677930000000, 0.982150380000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.362984710000000, 0.828322070000000, 0.982150380000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.828322070000000, 0.637015290000000, 0.017849620000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.171677930000000, 0.362984710000000, 0.017849620000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.785433940000000, 0.378504810000000, 0.456301530000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.378504810000000, 0.214566060000000, 0.543698470000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.621495190000000, 0.785433940000000, 0.543698470000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.214566060000000, 0.621495190000000, 0.456301530000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.621495190000000, 0.214566060000000, 0.543698470000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.378504810000000, 0.785433940000000, 0.543698470000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.785433940000000, 0.621495190000000, 0.456301530000000 ] mass: 15.999400 reduced_to: 34 - symbol: Si # 35 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 35 - symbol: P # 36 coordinates: [ 0.239999160000000, 0.239999160000000, 0.500000000000000 ] mass: 30.973762 reduced_to: 36 - symbol: P # 37 coordinates: [ 0.760000840000000, 0.239999160000000, 0.500000000000000 ] mass: 30.973762 reduced_to: 37 - symbol: P # 38 coordinates: [ 0.760000840000000, 0.760000840000000, 0.500000000000000 ] mass: 30.973762 reduced_to: 38 - symbol: P # 39 coordinates: [ 0.239999160000000, 0.760000840000000, 0.500000000000000 ] mass: 30.973762 reduced_to: 39 - symbol: K # 40 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 40 - symbol: K # 41 coordinates: [ 0.500000000000000, 0.000000000000000, 0.298398260000000 ] mass: 39.098300 reduced_to: 41 - symbol: K # 42 coordinates: [ 0.000000000000000, 0.500000000000000, 0.701601740000000 ] mass: 39.098300 reduced_to: 42 - symbol: K # 43 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 39.098300 reduced_to: 43 - symbol: Nb # 44 coordinates: [ 0.177636080000000, 0.177636080000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 44 - symbol: Nb # 45 coordinates: [ 0.822363920000000, 0.822363920000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 45 - symbol: Nb # 46 coordinates: [ 0.177636080000000, 0.822363920000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 46 - symbol: Nb # 47 coordinates: [ 0.822363920000000, 0.177636080000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 47 - symbol: Nb # 48 coordinates: [ 0.186186670000000, 0.500000000000000, 0.200784820000000 ] mass: 92.906380 reduced_to: 48 - symbol: Nb # 49 coordinates: [ 0.500000000000000, 0.813813330000000, 0.799215180000000 ] mass: 92.906380 reduced_to: 49 - symbol: Nb # 50 coordinates: [ 0.500000000000000, 0.186186670000000, 0.799215180000000 ] mass: 92.906380 reduced_to: 50 - symbol: Nb # 51 coordinates: [ 0.813813330000000, 0.500000000000000, 0.200784820000000 ] mass: 92.906380 reduced_to: 51supercell: lattice: - [ 10.686093990000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.686093990000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.935662920000000 ] # c points: - symbol: O # 1 coordinates: [ 0.197643840000000, 0.159326290000000, 0.156499000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.197643840000000, 0.159326290000000, 0.656499000000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 3 coordinates: [ 0.802356160000000, 0.840673710000000, 0.156499000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.802356160000000, 0.840673710000000, 0.656499000000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 5 coordinates: [ 0.159326290000000, 0.802356160000000, 0.343501000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.159326290000000, 0.802356160000000, 0.843501000000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 7 coordinates: [ 0.840673710000000, 0.197643840000000, 0.343501000000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.840673710000000, 0.197643840000000, 0.843501000000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 9 coordinates: [ 0.197643840000000, 0.840673710000000, 0.156499000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.197643840000000, 0.840673710000000, 0.656499000000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 11 coordinates: [ 0.840673710000000, 0.802356160000000, 0.343501000000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.840673710000000, 0.802356160000000, 0.843501000000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 13 coordinates: [ 0.159326290000000, 0.197643840000000, 0.343501000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.159326290000000, 0.197643840000000, 0.843501000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 15 coordinates: [ 0.802356160000000, 0.159326290000000, 0.156499000000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.802356160000000, 0.159326290000000, 0.656499000000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 17 coordinates: [ 0.000000000000000, 0.825990120000000, 0.020312115000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.000000000000000, 0.825990120000000, 0.520312115000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 19 coordinates: [ 0.825990120000000, 0.000000000000000, 0.479687885000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.825990120000000, 0.000000000000000, 0.979687885000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 21 coordinates: [ 0.174009880000000, 0.000000000000000, 0.479687885000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.174009880000000, 0.000000000000000, 0.979687885000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 23 coordinates: [ 0.000000000000000, 0.174009880000000, 0.020312115000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.000000000000000, 0.174009880000000, 0.520312115000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 25 coordinates: [ 0.373842830000000, 0.500000000000000, 0.074130850000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.373842830000000, 0.500000000000000, 0.574130850000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 27 coordinates: [ 0.500000000000000, 0.626157170000000, 0.425869150000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.500000000000000, 0.626157170000000, 0.925869150000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 29 coordinates: [ 0.500000000000000, 0.373842830000000, 0.425869150000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.500000000000000, 0.373842830000000, 0.925869150000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 31 coordinates: [ 0.626157170000000, 0.500000000000000, 0.074130850000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.626157170000000, 0.500000000000000, 0.574130850000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 33 coordinates: [ 0.214566060000000, 0.378504810000000, 0.228150765000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.214566060000000, 0.378504810000000, 0.728150765000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.000000000000000, 0.500000000000000, 0.126498140000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.000000000000000, 0.500000000000000, 0.626498140000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 37 coordinates: [ 0.500000000000000, 0.000000000000000, 0.373501860000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.500000000000000, 0.000000000000000, 0.873501860000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 39 coordinates: [ 0.828322070000000, 0.362984710000000, 0.008924810000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.828322070000000, 0.362984710000000, 0.508924810000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 41 coordinates: [ 0.362984710000000, 0.171677930000000, 0.491075190000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.362984710000000, 0.171677930000000, 0.991075190000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.637015290000000, 0.828322070000000, 0.491075190000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.637015290000000, 0.828322070000000, 0.991075190000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.171677930000000, 0.637015290000000, 0.008924810000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.171677930000000, 0.637015290000000, 0.508924810000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.637015290000000, 0.171677930000000, 0.491075190000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.637015290000000, 0.171677930000000, 0.991075190000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.362984710000000, 0.828322070000000, 0.491075190000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.362984710000000, 0.828322070000000, 0.991075190000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.828322070000000, 0.637015290000000, 0.008924810000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.828322070000000, 0.637015290000000, 0.508924810000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.171677930000000, 0.362984710000000, 0.008924810000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.171677930000000, 0.362984710000000, 0.508924810000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.785433940000000, 0.378504810000000, 0.228150765000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.785433940000000, 0.378504810000000, 0.728150765000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.378504810000000, 0.214566060000000, 0.271849235000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.378504810000000, 0.214566060000000, 0.771849235000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.621495190000000, 0.785433940000000, 0.271849235000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.621495190000000, 0.785433940000000, 0.771849235000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.214566060000000, 0.621495190000000, 0.228150765000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.214566060000000, 0.621495190000000, 0.728150765000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.621495190000000, 0.214566060000000, 0.271849235000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.621495190000000, 0.214566060000000, 0.771849235000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.378504810000000, 0.785433940000000, 0.271849235000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.378504810000000, 0.785433940000000, 0.771849235000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.785433940000000, 0.621495190000000, 0.228150765000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.785433940000000, 0.621495190000000, 0.728150765000000 ] mass: 15.999400 reduced_to: 67 - symbol: Si # 69 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 28.085500 reduced_to: 69 - symbol: Si # 70 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 28.085500 reduced_to: 69 - symbol: P # 71 coordinates: [ 0.239999160000000, 0.239999160000000, 0.250000000000000 ] mass: 30.973762 reduced_to: 71 - symbol: P # 72 coordinates: [ 0.239999160000000, 0.239999160000000, 0.750000000000000 ] mass: 30.973762 reduced_to: 71 - symbol: P # 73 coordinates: [ 0.760000840000000, 0.239999160000000, 0.250000000000000 ] mass: 30.973762 reduced_to: 73 - symbol: P # 74 coordinates: [ 0.760000840000000, 0.239999160000000, 0.750000000000000 ] mass: 30.973762 reduced_to: 73 - symbol: P # 75 coordinates: [ 0.760000840000000, 0.760000840000000, 0.250000000000000 ] mass: 30.973762 reduced_to: 75 - symbol: P # 76 coordinates: [ 0.760000840000000, 0.760000840000000, 0.750000000000000 ] mass: 30.973762 reduced_to: 75 - symbol: P # 77 coordinates: [ 0.239999160000000, 0.760000840000000, 0.250000000000000 ] mass: 30.973762 reduced_to: 77 - symbol: P # 78 coordinates: [ 0.239999160000000, 0.760000840000000, 0.750000000000000 ] mass: 30.973762 reduced_to: 77 - symbol: K # 79 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 79 - symbol: K # 80 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 79 - symbol: K # 81 coordinates: [ 0.500000000000000, 0.000000000000000, 0.149199130000000 ] mass: 39.098300 reduced_to: 81 - symbol: K # 82 coordinates: [ 0.500000000000000, 0.000000000000000, 0.649199130000000 ] mass: 39.098300 reduced_to: 81 - symbol: K # 83 coordinates: [ 0.000000000000000, 0.500000000000000, 0.350800870000000 ] mass: 39.098300 reduced_to: 83 - symbol: K # 84 coordinates: [ 0.000000000000000, 0.500000000000000, 0.850800870000000 ] mass: 39.098300 reduced_to: 83 - symbol: K # 85 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 39.098300 reduced_to: 85 - symbol: K # 86 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 39.098300 reduced_to: 85 - symbol: Nb # 87 coordinates: [ 0.177636080000000, 0.177636080000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 87 - symbol: Nb # 88 coordinates: [ 0.177636080000000, 0.177636080000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 87 - symbol: Nb # 89 coordinates: [ 0.822363920000000, 0.822363920000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 89 - symbol: Nb # 90 coordinates: [ 0.822363920000000, 0.822363920000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 89 - symbol: Nb # 91 coordinates: [ 0.177636080000000, 0.822363920000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 91 - symbol: Nb # 92 coordinates: [ 0.177636080000000, 0.822363920000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 91 - symbol: Nb # 93 coordinates: [ 0.822363920000000, 0.177636080000000, 0.000000000000000 ] mass: 92.906380 reduced_to: 93 - symbol: Nb # 94 coordinates: [ 0.822363920000000, 0.177636080000000, 0.500000000000000 ] mass: 92.906380 reduced_to: 93 - symbol: Nb # 95 coordinates: [ 0.186186670000000, 0.500000000000000, 0.100392410000000 ] mass: 92.906380 reduced_to: 95 - symbol: Nb # 96 coordinates: [ 0.186186670000000, 0.500000000000000, 0.600392410000000 ] mass: 92.906380 reduced_to: 95 - symbol: Nb # 97 coordinates: [ 0.500000000000000, 0.813813330000000, 0.399607590000000 ] mass: 92.906380 reduced_to: 97 - symbol: Nb # 98 coordinates: [ 0.500000000000000, 0.813813330000000, 0.899607590000000 ] mass: 92.906380 reduced_to: 97 - symbol: Nb # 99 coordinates: [ 0.500000000000000, 0.186186670000000, 0.399607590000000 ] mass: 92.906380 reduced_to: 99 - symbol: Nb # 100 coordinates: [ 0.500000000000000, 0.186186670000000, 0.899607590000000 ] mass: 92.906380 reduced_to: 99 - symbol: Nb # 101 coordinates: [ 0.813813330000000, 0.500000000000000, 0.100392410000000 ] mass: 92.906380 reduced_to: 101 - symbol: Nb # 102 coordinates: [ 0.813813330000000, 0.500000000000000, 0.600392410000000 ] mass: 92.906380 reduced_to: 101displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0914605400000000, -0.0515845800000000, -0.0847608100000000 ] - [ -0.0017763700000000, -0.0009264500000000, 0.0010352900000000 ] - [ 0.0017244000000000, 0.0013149500000000, -0.0008365500000000 ] - [ 0.0012474400000000, 0.0009869100000000, 0.0000819700000000 ] - [ -0.0014072300000000, 0.0013631600000000, -0.0000818000000000 ] - [ -0.0012702000000000, 0.0016396200000000, 0.0013399700000000 ] - [ 0.0021968600000000, -0.0013658600000000, -0.0005848100000000 ] - [ 0.0019120800000000, -0.0016411500000000, 0.0024549700000000 ] - [ -0.0020188600000000, 0.0012585400000000, -0.0012874700000000 ] - [ -0.0012435900000000, 0.0009800500000000, 0.0002054500000000 ] - [ 0.0014017700000000, 0.0013740100000000, -0.0002492600000000 ] - [ 0.0012002900000000, 0.0014032600000000, 0.0009871800000000 ] - [ -0.0083244500000000, -0.0027074200000000, -0.0112727900000000 ] - [ -0.0020980800000000, -0.0024164400000000, 0.0063872700000000 ] - [ 0.0029720200000000, -0.0015934800000000, -0.0021282600000000 ] - [ 0.0015021500000000, -0.0009271200000000, 0.0006413400000000 ] - [ 0.0003865500000000, 0.0006995600000000, 0.0006055300000000 ] - [ 0.0001405400000000, 0.0002601500000000, 0.0005445200000000 ] - [ 0.0006412400000000, -0.0005067100000000, -0.0006684300000000 ] - [ 0.0010183300000000, 0.0016792700000000, -0.0004075700000000 ] - [ -0.0006008400000000, -0.0000949100000000, -0.0005746300000000 ] - [ -0.0015867600000000, 0.0052350100000000, 0.0011496200000000 ] - [ 0.0138371900000000, -0.0007150900000000, 0.0130000200000000 ] - [ 0.0007028400000000, -0.0003848000000000, 0.0007398300000000 ] - [ -0.0009343700000000, 0.0003625700000000, -0.0008149000000000 ] - [ -0.0008654900000000, 0.0002023800000000, 0.0001376600000000 ] - [ 0.0000210900000000, 0.0003808700000000, 0.0006717700000000 ] - [ 0.0000142500000000, 0.0003783600000000, 0.0005223300000000 ] - [ 0.0007177600000000, 0.0021158100000000, 0.0023289600000000 ] - [ 0.0002068200000000, 0.0003660200000000, 0.0004993600000000 ] - [ 0.0009218900000000, 0.0000555800000000, -0.0005803900000000 ] - [ 0.0008793500000000, 0.0003197500000000, 0.0001929400000000 ] - [ -0.0098189600000000, 0.0032176100000000, 0.0004063700000000 ] - [ -0.0002769000000000, -0.0005016800000000, 0.0004855900000000 ] - [ -0.0002561100000000, -0.0002779000000000, -0.0006962500000000 ] - [ 0.0002264700000000, 0.0000140500000000, 0.0000304500000000 ] - [ 0.0005868500000000, -0.0032881100000000, 0.0010373900000000 ] - [ 0.0001782500000000, -0.0009978500000000, 0.0002013500000000 ] - [ 0.0002743800000000, -0.0017088800000000, -0.0004128400000000 ] - [ -0.0000563000000000, 0.0001986700000000, 0.0002263700000000 ] - [ -0.0030358500000000, -0.0000060900000000, 0.0017809500000000 ] - [ 0.0049130100000000, 0.0007777700000000, -0.0127620800000000 ] - [ 0.0011625300000000, -0.0005027100000000, 0.0003408700000000 ] - [ 0.0010373900000000, -0.0002965700000000, 0.0000448900000000 ] - [ 0.0001748100000000, 0.0010569600000000, -0.0003191500000000 ] - [ 0.0001890600000000, 0.0000412500000000, 0.0001979300000000 ] - [ 0.0054003800000000, 0.0003584900000000, 0.0025419500000000 ] - [ 0.0047066700000000, 0.0002938800000000, 0.0012240700000000 ] - [ -0.0010407000000000, -0.0004200700000000, 0.0003140600000000 ] - [ -0.0013528200000000, -0.0003283900000000, 0.0000398700000000 ] - [ -0.0001432700000000, 0.0004990800000000, 0.0000144500000000 ] - [ -0.0001455200000000, 0.0001149700000000, 0.0000833700000000 ] - [ -0.0016482700000000, -0.0048662400000000, -0.0001294200000000 ] - [ 0.0001412800000000, -0.0001778500000000, 0.0001677700000000 ] - [ 0.0007039700000000, 0.0005968900000000, -0.0011185700000000 ] - [ 0.0001142300000000, 0.0000432900000000, 0.0000798700000000 ] - [ 0.0267390200000000, 0.0107128200000000, 0.0350891400000000 ] - [ -0.0006364500000000, 0.0001607000000000, 0.0001495900000000 ] - [ 0.0004766800000000, -0.0003084900000000, 0.0000239300000000 ] - [ -0.0003481400000000, -0.0000370500000000, 0.0006805700000000 ] - [ -0.0002285200000000, -0.0002750700000000, -0.0011285800000000 ] - [ -0.0000101600000000, -0.0000537100000000, 0.0000101700000000 ] - [ 0.0028885200000000, 0.0002392900000000, -0.0006349800000000 ] - [ 0.0003989400000000, 0.0001145700000000, 0.0003010100000000 ] - [ -0.0004890100000000, -0.0004182500000000, 0.0000640600000000 ] - [ 0.0002199200000000, -0.0000353600000000, 0.0006624800000000 ] - [ 0.0002538000000000, -0.0005689000000000, -0.0008936500000000 ] - [ 0.0000012800000000, -0.0000846000000000, -0.0000723900000000 ] - [ -0.0002429100000000, -0.0005777000000000, -0.0000833000000000 ] - [ 0.0001645400000000, -0.0017227100000000, -0.0015764300000000 ] - [ 0.0654367900000000, 0.0393568900000000, 0.0523258300000000 ] - [ 0.0041041000000000, 0.0018423100000000, -0.0026488900000000 ] - [ -0.0048093100000000, 0.0013224200000000, 0.0024784100000000 ] - [ -0.0021371200000000, 0.0013375600000000, -0.0020440300000000 ] - [ -0.0022139800000000, -0.0010910400000000, 0.0008784100000000 ] - [ -0.0012161700000000, -0.0012438700000000, -0.0008241900000000 ] - [ 0.0025079500000000, -0.0011390800000000, 0.0009596600000000 ] - [ 0.0014700400000000, -0.0012571200000000, -0.0010993500000000 ] - [ -0.0003857500000000, -0.0009085000000000, 0.0004331400000000 ] - [ 0.0000480000000000, -0.0000387200000000, -0.0001564000000000 ] - [ -0.0016675900000000, 0.0015649300000000, 0.0009575100000000 ] - [ 0.0000485200000000, 0.0001174300000000, -0.0000995200000000 ] - [ 0.0002129100000000, 0.0000219900000000, -0.0000911900000000 ] - [ -0.0001066600000000, 0.0001988500000000, -0.0004967300000000 ] - [ 0.0002907700000000, -0.0007452600000000, 0.0005079500000000 ] - [ -0.0001445100000000, -0.0002059900000000, -0.0004494200000000 ] - [ 0.0157353900000000, 0.0011876500000000, 0.0016201800000000 ] - [ 0.0037497600000000, 0.0011988000000000, 0.0007091500000000 ] - [ -0.0023857300000000, -0.0025248700000000, -0.0001755800000000 ] - [ -0.0021197400000000, -0.0008083900000000, 0.0001930500000000 ] - [ 0.0022788100000000, -0.0046327300000000, 0.0005499800000000 ] - [ 0.0018870700000000, -0.0009942200000000, -0.0000537100000000 ] - [ -0.0125928800000000, 0.0012235000000000, -0.0022183300000000 ] - [ -0.0043846100000000, 0.0012619300000000, -0.0001668400000000 ] - [ 0.0018008600000000, 0.0001634000000000, 0.0047606500000000 ] - [ 0.0003163100000000, 0.0001620600000000, -0.0010067800000000 ] - [ -0.0001465000000000, 0.0022811300000000, -0.0007312500000000 ] - [ 0.0001848600000000, 0.0005947400000000, -0.0008681500000000 ] - [ -0.0108219800000000, 0.0027301000000000, -0.0117438900000000 ] - [ -0.0045807900000000, -0.0001516200000000, 0.0021961900000000 ] - [ -0.0009788600000000, 0.0008760500000000, 0.0014071700000000 ] - [ -0.0006601300000000, -0.0001982500000000, -0.0007522300000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0893482800000000, 0.0493521800000000, 0.0831259800000000 ] - [ -0.0006085500000000, -0.0010588100000000, -0.0017497000000000 ] - [ 0.0006586200000000, 0.0006667000000000, 0.0001153400000000 ] - [ 0.0011361400000000, 0.0009966800000000, -0.0007895800000000 ] - [ -0.0005737500000000, 0.0010149300000000, 0.0007975700000000 ] - [ -0.0007160900000000, 0.0007440300000000, -0.0006186100000000 ] - [ -0.0002138100000000, -0.0010172100000000, 0.0013061200000000 ] - [ 0.0000739800000000, -0.0007449700000000, -0.0017432800000000 ] - [ -0.0003636900000000, 0.0007166200000000, 0.0005641000000000 ] - [ -0.0011420400000000, 0.0010055200000000, -0.0009239900000000 ] - [ 0.0005804000000000, 0.0010056800000000, 0.0009641600000000 ] - [ 0.0007851200000000, 0.0009818800000000, -0.0002701300000000 ] - [ 0.0063515300000000, 0.0002961600000000, 0.0119052000000000 ] - [ 0.0000785400000000, 0.0000174600000000, -0.0056664800000000 ] - [ -0.0005860700000000, -0.0003904900000000, 0.0014009300000000 ] - [ 0.0008802500000000, -0.0010565400000000, -0.0013488300000000 ] - [ -0.0003754400000000, -0.0001152000000000, 0.0003795600000000 ] - [ -0.0001264400000000, 0.0003245300000000, 0.0004460900000000 ] - [ -0.0000548900000000, 0.0005092200000000, -0.0003166900000000 ] - [ -0.0004314800000000, -0.0016832600000000, -0.0005813700000000 ] - [ 0.0000146000000000, 0.0001019700000000, -0.0004156500000000 ] - [ 0.0010157300000000, -0.0052211000000000, -0.0021321800000000 ] - [ -0.0138746000000000, 0.0001214100000000, -0.0121582500000000 ] - [ -0.0006869700000000, -0.0002006300000000, 0.0002478100000000 ] - [ 0.0006617900000000, -0.0003624800000000, -0.0001205500000000 ] - [ 0.0006000900000000, -0.0002003200000000, -0.0010741500000000 ] - [ -0.0000215900000000, -0.0001212100000000, 0.0002693100000000 ] - [ -0.0000156200000000, -0.0001235900000000, 0.0004202400000000 ] - [ -0.0007142000000000, -0.0023558900000000, -0.0013782100000000 ] - [ -0.0002114300000000, -0.0006267600000000, 0.0004417500000000 ] - [ -0.0006581100000000, -0.0000534600000000, -0.0003587900000000 ] - [ -0.0006096800000000, -0.0003168000000000, -0.0011263000000000 ] - [ 0.0098670100000000, -0.0025908100000000, -0.0013586700000000 ] - [ 0.0003869600000000, 0.0012212300000000, -0.0013846500000000 ] - [ 0.0002735700000000, 0.0002806400000000, 0.0002309100000000 ] - [ -0.0002269700000000, -0.0000125000000000, -0.0004923800000000 ] - [ -0.0005831600000000, 0.0032660000000000, -0.0005699900000000 ] - [ -0.0001813200000000, 0.0010068600000000, 0.0002628400000000 ] - [ -0.0008385100000000, 0.0014021000000000, 0.0005892600000000 ] - [ -0.0005073800000000, -0.0005076200000000, -0.0000474700000000 ] - [ 0.0026918800000000, 0.0005694000000000, -0.0019378700000000 ] - [ -0.0052846700000000, -0.0002177200000000, 0.0125407800000000 ] - [ -0.0008397600000000, -0.0000626300000000, -0.0005064100000000 ] - [ -0.0007169400000000, -0.0002673400000000, -0.0002140600000000 ] - [ 0.0003929700000000, -0.0007560300000000, 0.0004998300000000 ] - [ 0.0003751500000000, 0.0002787600000000, -0.0000302500000000 ] - [ -0.0050366500000000, 0.0002099500000000, -0.0026847700000000 ] - [ -0.0044029500000000, 0.0002689500000000, -0.0014019900000000 ] - [ 0.0007111600000000, -0.0001461300000000, -0.0004793500000000 ] - [ 0.0010259800000000, -0.0002359800000000, -0.0002059100000000 ] - [ -0.0004212500000000, -0.0001874400000000, 0.0001579300000000 ] - [ -0.0004171000000000, 0.0001930800000000, 0.0000902500000000 ] - [ 0.0022325000000000, 0.0045466400000000, 0.0003049000000000 ] - [ 0.0004217700000000, -0.0001489000000000, -0.0000091000000000 ] - [ -0.0008111800000000, 0.0001407400000000, 0.0002022300000000 ] - [ -0.0002247200000000, 0.0006795100000000, -0.0009874900000000 ] - [ -0.0255019900000000, -0.0104066500000000, -0.0335784800000000 ] - [ 0.0013518500000000, -0.0000525700000000, 0.0007636400000000 ] - [ -0.0011993700000000, 0.0001970700000000, 0.0008802200000000 ] - [ -0.0003763400000000, -0.0000715800000000, 0.0002251600000000 ] - [ 0.0003351400000000, -0.0004806900000000, 0.0002123000000000 ] - [ 0.0001192100000000, -0.0006715900000000, -0.0009138200000000 ] - [ -0.0036023700000000, -0.0001274700000000, 0.0015396600000000 ] - [ -0.0011329100000000, -0.0000069900000000, 0.0006089000000000 ] - [ 0.0012039700000000, 0.0003017300000000, 0.0008355800000000 ] - [ 0.0004963800000000, -0.0000754000000000, 0.0002400600000000 ] - [ -0.0003610300000000, -0.0001644600000000, -0.0000217100000000 ] - [ -0.0001098800000000, -0.0006410300000000, -0.0008363600000000 ] - [ 0.0002519700000000, 0.0005812600000000, 0.0000832200000000 ] - [ -0.0001596600000000, 0.0017125700000000, 0.0015651400000000 ] - [ -0.0642006400000000, -0.0371657000000000, -0.0519233500000000 ] - [ -0.0021429000000000, 0.0001264600000000, 0.0026282700000000 ] - [ 0.0028508400000000, 0.0006281000000000, -0.0024729600000000 ] - [ 0.0001809600000000, 0.0006191800000000, 0.0020377300000000 ] - [ 0.0002546000000000, -0.0008606600000000, -0.0008736400000000 ] - [ -0.0007408400000000, -0.0007148200000000, 0.0008199700000000 ] - [ -0.0005405000000000, -0.0007975100000000, -0.0009535900000000 ] - [ 0.0004875200000000, -0.0007021700000000, 0.0010921200000000 ] - [ 0.0003913300000000, 0.0009060100000000, -0.0004297900000000 ] - [ -0.0000462900000000, 0.0000396700000000, 0.0001544500000000 ] - [ 0.0016622600000000, -0.0015582000000000, -0.0005013800000000 ] - [ -0.0000463900000000, -0.0001169400000000, 0.0005453500000000 ] - [ -0.0002191900000000, -0.0000205700000000, -0.0003563100000000 ] - [ 0.0001055400000000, -0.0001974700000000, 0.0000454400000000 ] - [ -0.0003460100000000, 0.0006993100000000, -0.0004717400000000 ] - [ 0.0001436500000000, 0.0002051100000000, 0.0004477400000000 ] - [ -0.0134722900000000, 0.0009283800000000, -0.0013617300000000 ] - [ -0.0016020000000000, 0.0009106500000000, -0.0006630100000000 ] - [ 0.0002572400000000, 0.0003987700000000, 0.0001826300000000 ] - [ -0.0000130300000000, -0.0013142700000000, -0.0002019600000000 ] - [ -0.0001538600000000, 0.0025099000000000, -0.0005449400000000 ] - [ 0.0002449100000000, -0.0011313800000000, 0.0000511200000000 ] - [ 0.0104645700000000, 0.0009053200000000, 0.0022438200000000 ] - [ 0.0022292300000000, 0.0008662100000000, 0.0001484400000000 ] - [ -0.0020311200000000, -0.0001171000000000, -0.0045586000000000 ] - [ -0.0005339100000000, -0.0001532900000000, 0.0012640500000000 ] - [ 0.0001494400000000, -0.0020453500000000, 0.0004670300000000 ] - [ -0.0001793900000000, -0.0003788900000000, 0.0006105700000000 ] - [ 0.0107608400000000, -0.0029465200000000, 0.0114125100000000 ] - [ 0.0046298900000000, -0.0000648100000000, -0.0024804400000000 ] - [ 0.0011847100000000, -0.0008820800000000, -0.0011419600000000 ] - [ 0.0008688600000000, 0.0001934800000000, 0.0010006500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0525609800000000, -0.1600689900000000, -0.1317315700000000 ] - [ -0.0011317000000000, -0.0009357400000000, 0.0015266300000000 ] - [ 0.0015194500000000, 0.0015624500000000, -0.0004960700000000 ] - [ 0.0011918600000000, 0.0010426200000000, -0.0001780300000000 ] - [ -0.0012878800000000, 0.0024020900000000, 0.0000238800000000 ] - [ -0.0011221400000000, 0.0021164700000000, 0.0011251000000000 ] - [ 0.0012862400000000, -0.0016140300000000, -0.0000550000000000 ] - [ 0.0011226000000000, -0.0014758300000000, 0.0012364700000000 ] - [ -0.0014684100000000, 0.0052713700000000, 0.0000144200000000 ] - [ -0.0011849400000000, 0.0010660300000000, -0.0000433400000000 ] - [ 0.0012843000000000, 0.0016062600000000, 0.0000243500000000 ] - [ 0.0010436900000000, 0.0014043200000000, 0.0006357100000000 ] - [ 0.0000449700000000, -0.0085653500000000, 0.0032980900000000 ] - [ -0.0011467800000000, -0.0023121500000000, 0.0047498300000000 ] - [ 0.0017985700000000, -0.0017681800000000, -0.0012630500000000 ] - [ 0.0011303400000000, -0.0009684300000000, 0.0002635600000000 ] - [ 0.0006567600000000, 0.0011257400000000, 0.0007382900000000 ] - [ -0.0000768100000000, 0.0003338800000000, 0.0004766100000000 ] - [ 0.0003943500000000, -0.0002733700000000, -0.0006487600000000 ] - [ 0.0004285600000000, 0.0006990800000000, -0.0004054700000000 ] - [ -0.0003843600000000, -0.0007534400000000, -0.0005670100000000 ] - [ 0.0006485100000000, 0.0043811200000000, 0.0057118700000000 ] - [ 0.0046951400000000, -0.0031871400000000, 0.0025756700000000 ] - [ -0.0004068600000000, -0.0004363700000000, 0.0007047000000000 ] - [ 0.0020836900000000, 0.0006658100000000, -0.0022702900000000 ] - [ -0.0001811900000000, 0.0000796900000000, -0.0002365900000000 ] - [ 0.0001073800000000, 0.0006098300000000, 0.0005938300000000 ] - [ 0.0002607600000000, 0.0011467200000000, -0.0001300300000000 ] - [ 0.0002903500000000, -0.0002313500000000, 0.0008346700000000 ] - [ 0.0001491800000000, -0.0015029100000000, -0.0001419100000000 ] - [ 0.0004406500000000, -0.0000349900000000, -0.0009290400000000 ] - [ 0.0003181900000000, 0.0000611500000000, -0.0002767200000000 ] - [ 0.0040913000000000, 0.0361344800000000, 0.0134265000000000 ] - [ 0.0001393500000000, -0.0002102300000000, -0.0001547900000000 ] - [ -0.0040920000000000, 0.0007421800000000, -0.0012029100000000 ] - [ -0.0001956400000000, 0.0000268200000000, -0.0001191000000000 ] - [ 0.0000061900000000, -0.0009167000000000, 0.0000230300000000 ] - [ -0.0000564800000000, 0.0005985200000000, 0.0004306000000000 ] - [ -0.0003467700000000, -0.0021406700000000, -0.0007299800000000 ] - [ -0.0003311700000000, -0.0001806400000000, 0.0002217700000000 ] - [ -0.0003061700000000, 0.0000430600000000, 0.0003653300000000 ] - [ -0.0036056500000000, -0.0028164900000000, 0.0027457000000000 ] - [ 0.0003731000000000, -0.0002499500000000, -0.0000052500000000 ] - [ 0.0001308300000000, -0.0000033500000000, -0.0000177200000000 ] - [ 0.0000099900000000, 0.0077091900000000, -0.0032521400000000 ] - [ 0.0002803000000000, 0.0005143500000000, 0.0002184400000000 ] - [ 0.0016110300000000, 0.0000597300000000, 0.0006601100000000 ] - [ 0.0002197400000000, 0.0000554400000000, -0.0001030200000000 ] - [ -0.0002812300000000, -0.0002333300000000, -0.0000512900000000 ] - [ -0.0007421500000000, 0.0004341800000000, 0.0004245300000000 ] - [ -0.0004892900000000, 0.0017139400000000, -0.0005049100000000 ] - [ -0.0003265800000000, 0.0003433100000000, 0.0001263000000000 ] - [ -0.0007469900000000, 0.0031242400000000, -0.0052354300000000 ] - [ 0.0002520600000000, -0.0002323400000000, 0.0005909300000000 ] - [ -0.0002179300000000, -0.0002775700000000, -0.0004926000000000 ] - [ -0.0001603200000000, -0.0000147500000000, -0.0001480600000000 ] - [ 0.0045083300000000, -0.0071612800000000, 0.0065015200000000 ] - [ 0.0004718000000000, -0.0002163600000000, 0.0011809700000000 ] - [ -0.0001845200000000, 0.0001870000000000, 0.0002498000000000 ] - [ -0.0004795000000000, 0.0001157000000000, 0.0006329400000000 ] - [ 0.0004440600000000, 0.0051347800000000, 0.0002856200000000 ] - [ 0.0000880500000000, 0.0000740800000000, -0.0001445300000000 ] - [ 0.0003622300000000, -0.0002083400000000, -0.0000232000000000 ] - [ -0.0006471300000000, -0.0002063000000000, 0.0010656100000000 ] - [ 0.0003451800000000, 0.0010530800000000, 0.0001279000000000 ] - [ 0.0004224400000000, 0.0001250100000000, 0.0006705200000000 ] - [ -0.0002072000000000, 0.0002586500000000, -0.0003873200000000 ] - [ -0.0001149300000000, -0.0001323100000000, -0.0002887000000000 ] - [ -0.0018670400000000, 0.0002640100000000, 0.0020440300000000 ] - [ -0.0002680000000000, -0.0003977000000000, -0.0005527100000000 ] - [ 0.0426360900000000, 0.1278494300000000, 0.1101823600000000 ] - [ 0.0012661500000000, 0.0021748700000000, -0.0016060700000000 ] - [ -0.0017188000000000, 0.0024776500000000, 0.0010452600000000 ] - [ -0.0007592300000000, 0.0013905400000000, -0.0010523000000000 ] - [ -0.0013605900000000, -0.0021563000000000, 0.0002742100000000 ] - [ -0.0009075000000000, -0.0012718000000000, -0.0003568000000000 ] - [ 0.0010477300000000, -0.0070014900000000, 0.0009185500000000 ] - [ 0.0010677100000000, -0.0014688300000000, -0.0007018600000000 ] - [ -0.0011023700000000, -0.0004605000000000, -0.0001724900000000 ] - [ -0.0000371300000000, 0.0000447000000000, -0.0000640900000000 ] - [ 0.0017607700000000, -0.0003748700000000, 0.0005065600000000 ] - [ 0.0000048400000000, 0.0000034000000000, 0.0000285100000000 ] - [ 0.0011445500000000, -0.0005423300000000, -0.0010174700000000 ] - [ 0.0002642000000000, 0.0000009800000000, 0.0000679800000000 ] - [ -0.0013706200000000, -0.0001177900000000, 0.0008954800000000 ] - [ -0.0000914800000000, -0.0000806900000000, -0.0002850300000000 ] - [ -0.0006642300000000, 0.0192720900000000, -0.0179500100000000 ] - [ 0.0014940400000000, 0.0023575500000000, -0.0024960200000000 ] - [ -0.0016189600000000, -0.0030584800000000, -0.0002757100000000 ] - [ -0.0012698100000000, -0.0012697000000000, 0.0002725600000000 ] - [ 0.0007890600000000, -0.0115581200000000, -0.0014785200000000 ] - [ 0.0012789200000000, -0.0013750500000000, 0.0002922500000000 ] - [ -0.0039008500000000, 0.0025066300000000, -0.0006629900000000 ] - [ -0.0015132000000000, 0.0015492600000000, -0.0000970700000000 ] - [ 0.0032089400000000, -0.0142579000000000, 0.0136599500000000 ] - [ 0.0000096500000000, -0.0003794200000000, -0.0007982200000000 ] - [ 0.0000526600000000, -0.0001361000000000, 0.0001363700000000 ] - [ 0.0005157700000000, -0.0013797900000000, -0.0006074700000000 ] - [ -0.0028687900000000, 0.0014886500000000, -0.0020518900000000 ] - [ 0.0016644900000000, 0.0010547900000000, -0.0018523300000000 ] - [ 0.0027219800000000, 0.0002057300000000, 0.0018374300000000 ] - [ 0.0002232500000000, -0.0000468800000000, -0.0003304600000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0483999800000000, 0.1557492200000000, 0.1255351300000000 ] - [ -0.0012624200000000, -0.0010589800000000, -0.0022453000000000 ] - [ 0.0008693300000000, 0.0004289900000000, -0.0002148000000000 ] - [ 0.0011992400000000, 0.0009500500000000, -0.0005280700000000 ] - [ -0.0007044100000000, -0.0000099600000000, 0.0007102500000000 ] - [ -0.0008712900000000, 0.0002772700000000, -0.0004229700000000 ] - [ 0.0007031700000000, -0.0007784600000000, 0.0007674900000000 ] - [ 0.0008725200000000, -0.0009198000000000, -0.0005260600000000 ] - [ -0.0009237000000000, -0.0033111600000000, -0.0007477900000000 ] - [ -0.0012080400000000, 0.0009288200000000, -0.0006738500000000 ] - [ 0.0007062900000000, 0.0007831900000000, 0.0006889200000000 ] - [ 0.0009497400000000, 0.0009876000000000, 0.0000706800000000 ] - [ -0.0020514100000000, 0.0061121600000000, -0.0027306900000000 ] - [ -0.0008677000000000, -0.0001337600000000, -0.0040067500000000 ] - [ 0.0005943200000000, -0.0002254000000000, 0.0005496900000000 ] - [ 0.0012585300000000, -0.0010253100000000, -0.0009739500000000 ] - [ -0.0006661900000000, -0.0005331600000000, 0.0002460200000000 ] - [ 0.0000855600000000, 0.0002574300000000, 0.0005154000000000 ] - [ 0.0001942800000000, 0.0002897000000000, -0.0003383700000000 ] - [ 0.0001630400000000, -0.0006837300000000, -0.0005867300000000 ] - [ -0.0002059200000000, 0.0007731500000000, -0.0004203000000000 ] - [ -0.0012461700000000, -0.0043513200000000, -0.0067433300000000 ] - [ -0.0046165400000000, 0.0026071500000000, -0.0015383600000000 ] - [ 0.0004173800000000, -0.0001532500000000, 0.0002800000000000 ] - [ -0.0023309400000000, -0.0006658700000000, 0.0013118400000000 ] - [ -0.0000820900000000, -0.0000813200000000, -0.0007105500000000 ] - [ -0.0001062500000000, -0.0003515900000000, 0.0003563400000000 ] - [ -0.0002580200000000, -0.0008873400000000, 0.0010738700000000 ] - [ -0.0002924700000000, -0.0000446100000000, 0.0001046500000000 ] - [ -0.0001496500000000, 0.0012329600000000, 0.0010849200000000 ] - [ -0.0001726000000000, 0.0000348400000000, -0.0000171400000000 ] - [ -0.0000504700000000, -0.0000631900000000, -0.0006687400000000 ] - [ -0.0039133400000000, -0.0344607600000000, -0.0139204800000000 ] - [ -0.0000421400000000, 0.0009163600000000, -0.0007416700000000 ] - [ 0.0040614200000000, -0.0007407700000000, 0.0007350400000000 ] - [ 0.0001904700000000, -0.0000272000000000, -0.0003418300000000 ] - [ -0.0000038000000000, 0.0009383100000000, 0.0004406600000000 ] - [ 0.0000545000000000, -0.0005809700000000, 0.0000264600000000 ] - [ -0.0002139400000000, 0.0018127300000000, 0.0008979900000000 ] - [ -0.0002296200000000, -0.0001411000000000, -0.0000493100000000 ] - [ -0.0000214300000000, 0.0005184700000000, -0.0005349800000000 ] - [ 0.0032117100000000, 0.0033843300000000, -0.0028326000000000 ] - [ -0.0000479500000000, -0.0003067000000000, -0.0001570400000000 ] - [ 0.0001954800000000, -0.0005531800000000, -0.0001467000000000 ] - [ 0.0005476600000000, -0.0073525300000000, 0.0033940700000000 ] - [ 0.0002785300000000, -0.0001931600000000, -0.0000480800000000 ] - [ -0.0012962400000000, 0.0004974200000000, -0.0008295700000000 ] - [ 0.0001004100000000, 0.0005038100000000, -0.0000637000000000 ] - [ -0.0000473100000000, -0.0003251400000000, -0.0001112600000000 ] - [ 0.0004239800000000, -0.0009913500000000, -0.0005966400000000 ] - [ -0.0000736000000000, -0.0013934000000000, 0.0006717300000000 ] - [ -0.0002324900000000, -0.0000338700000000, 0.0000465600000000 ] - [ 0.0012948300000000, -0.0034150100000000, 0.0053081400000000 ] - [ 0.0003067400000000, -0.0001091400000000, -0.0004371400000000 ] - [ 0.0001149900000000, 0.0009935000000000, -0.0004135000000000 ] - [ 0.0000594600000000, 0.0007297800000000, -0.0007603100000000 ] - [ -0.0038570600000000, 0.0071700400000000, -0.0056755600000000 ] - [ 0.0002358800000000, 0.0003155700000000, -0.0002746600000000 ] - [ -0.0005343400000000, -0.0002864700000000, 0.0006566400000000 ] - [ -0.0002348700000000, -0.0002155200000000, 0.0002658200000000 ] - [ -0.0003425800000000, -0.0058362200000000, -0.0011885300000000 ] - [ 0.0000109600000000, -0.0007981300000000, -0.0007633600000000 ] - [ -0.0010870500000000, 0.0003081000000000, 0.0009336100000000 ] - [ -0.0000761600000000, 0.0003042900000000, -0.0001598600000000 ] - [ 0.0003825900000000, -0.0011532800000000, 0.0007864100000000 ] - [ 0.0002864000000000, -0.0002266800000000, 0.0002263500000000 ] - [ 0.0001061000000000, -0.0009817600000000, -0.0005226600000000 ] - [ 0.0000161000000000, -0.0005915000000000, -0.0006233400000000 ] - [ 0.0018557000000000, -0.0002549300000000, -0.0020306600000000 ] - [ 0.0002679700000000, 0.0004094400000000, 0.0005520600000000 ] - [ -0.0389049800000000, -0.1242476200000000, -0.1053927900000000 ] - [ 0.0007064100000000, -0.0002155300000000, 0.0015944200000000 ] - [ -0.0002299200000000, -0.0005132800000000, -0.0010482800000000 ] - [ -0.0011984800000000, 0.0005674400000000, 0.0010503700000000 ] - [ -0.0005934400000000, 0.0002020200000000, -0.0002774200000000 ] - [ -0.0010499600000000, -0.0006803500000000, 0.0003605400000000 ] - [ 0.0008993900000000, 0.0050534000000000, -0.0009491400000000 ] - [ 0.0008848600000000, -0.0004828100000000, 0.0007067300000000 ] - [ 0.0010973800000000, 0.0004648300000000, 0.0001678900000000 ] - [ 0.0000378200000000, -0.0000427500000000, 0.0000651300000000 ] - [ -0.0017735300000000, 0.0003691700000000, -0.0000563700000000 ] - [ -0.0000036900000000, -0.0000055800000000, 0.0004211000000000 ] - [ -0.0011386500000000, 0.0005441100000000, 0.0005611200000000 ] - [ -0.0002622300000000, 0.0000012900000000, -0.0005145500000000 ] - [ 0.0013378900000000, 0.0000815900000000, -0.0008767200000000 ] - [ 0.0000913900000000, 0.0000772100000000, 0.0002845600000000 ] - [ 0.0028256400000000, -0.0171741900000000, 0.0183067300000000 ] - [ 0.0006342600000000, -0.0002560200000000, 0.0025525000000000 ] - [ -0.0004935700000000, 0.0009150000000000, 0.0002861400000000 ] - [ -0.0008550300000000, -0.0008626200000000, -0.0002803200000000 ] - [ 0.0013403100000000, 0.0093887100000000, 0.0015244900000000 ] - [ 0.0008507200000000, -0.0007576900000000, -0.0003108200000000 ] - [ 0.0017418600000000, -0.0003769800000000, 0.0006641500000000 ] - [ -0.0006129400000000, 0.0005777600000000, 0.0000926500000000 ] - [ -0.0033952700000000, 0.0142181800000000, -0.0132705200000000 ] - [ -0.0002310300000000, 0.0003996700000000, 0.0010580800000000 ] - [ -0.0000639600000000, 0.0003476800000000, -0.0004129700000000 ] - [ -0.0005243600000000, 0.0015893700000000, 0.0003611400000000 ] - [ 0.0029100000000000, -0.0017285600000000, 0.0018223200000000 ] - [ -0.0016286500000000, -0.0012756300000000, 0.0015698800000000 ] - [ -0.0024876900000000, -0.0001966700000000, -0.0015684300000000 ] - [ -0.0000056000000000, 0.0000511100000000, 0.0005888300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0869366200000000, -0.1339536400000000, -0.3523389600000000 ] - [ 0.0001991500000000, 0.0008873900000000, 0.0146939300000000 ] - [ 0.0016704400000000, 0.0011365300000000, -0.0034617900000000 ] - [ 0.0007600500000000, 0.0008193300000000, 0.0022700600000000 ] - [ -0.0005835200000000, 0.0002502000000000, -0.0015163300000000 ] - [ -0.0018713500000000, 0.0032805500000000, 0.0049142400000000 ] - [ 0.0006544700000000, -0.0007575000000000, -0.0015081000000000 ] - [ 0.0017628900000000, -0.0021711500000000, 0.0049110800000000 ] - [ -0.0021158200000000, 0.0006299000000000, -0.0065134800000000 ] - [ -0.0006325600000000, 0.0006798300000000, 0.0038651100000000 ] - [ 0.0006651500000000, 0.0005912800000000, -0.0011114200000000 ] - [ 0.0012753900000000, 0.0018219600000000, 0.0023120800000000 ] - [ -0.0041014100000000, 0.0105590800000000, 0.0706442800000000 ] - [ -0.0053743300000000, -0.0071936600000000, 0.0291131200000000 ] - [ 0.0029543400000000, -0.0018988700000000, -0.0076319300000000 ] - [ 0.0002003400000000, -0.0003769700000000, 0.0048562300000000 ] - [ 0.0029263600000000, 0.0015621900000000, -0.0003671000000000 ] - [ -0.0012579700000000, -0.0002106400000000, 0.0010706900000000 ] - [ 0.0001470300000000, -0.0018828700000000, -0.0002213800000000 ] - [ 0.0012765400000000, 0.0040975500000000, -0.0006316800000000 ] - [ -0.0003744900000000, -0.0077258400000000, 0.0022455300000000 ] - [ 0.0010518200000000, 0.0271163400000000, 0.0068681700000000 ] - [ 0.0299927900000000, -0.0012101500000000, 0.0083046100000000 ] - [ -0.0053631100000000, -0.0006780500000000, 0.0031181000000000 ] - [ -0.0001487600000000, -0.0000380200000000, -0.0034077400000000 ] - [ -0.0002936200000000, 0.0004755600000000, 0.0011995500000000 ] - [ 0.0002334600000000, 0.0003742100000000, 0.0006919900000000 ] - [ -0.0000602300000000, 0.0008538900000000, 0.0003315200000000 ] - [ 0.0013353000000000, 0.0032884600000000, 0.0028632300000000 ] - [ -0.0006437600000000, -0.0034028000000000, 0.0001370000000000 ] - [ 0.0003011100000000, -0.0002842800000000, -0.0019669500000000 ] - [ 0.0010566500000000, 0.0004765900000000, 0.0011066200000000 ] - [ 0.0023315300000000, 0.0293062700000000, -0.0054107900000000 ] - [ 0.0001464800000000, -0.0039281000000000, 0.0052333200000000 ] - [ -0.0005857100000000, 0.0002477500000000, -0.0030804100000000 ] - [ -0.0008665100000000, 0.0001833700000000, 0.0012528100000000 ] - [ 0.0012589700000000, -0.0053785700000000, 0.0007276600000000 ] - [ -0.0007675900000000, 0.0040840300000000, 0.0014256300000000 ] - [ 0.0004377600000000, -0.0045202900000000, -0.0018201800000000 ] - [ -0.0004751000000000, 0.0018620600000000, 0.0013058000000000 ] - [ 0.0015662500000000, -0.0002274400000000, 0.0021771600000000 ] - [ -0.0242534700000000, -0.0009291800000000, 0.0158992400000000 ] - [ 0.0013269600000000, -0.0006661300000000, 0.0007371900000000 ] - [ 0.0001136900000000, 0.0001572400000000, -0.0005948600000000 ] - [ 0.0002907700000000, 0.0050399300000000, -0.0022018500000000 ] - [ 0.0001277900000000, -0.0008737600000000, 0.0009163800000000 ] - [ 0.0059272300000000, 0.0001455900000000, 0.0034479400000000 ] - [ -0.0003360300000000, 0.0005966400000000, -0.0013724100000000 ] - [ -0.0000248000000000, -0.0007651500000000, 0.0003190900000000 ] - [ -0.0023303000000000, 0.0007252600000000, 0.0000514500000000 ] - [ -0.0001866900000000, 0.0019203200000000, -0.0006642200000000 ] - [ -0.0003241700000000, -0.0006897900000000, 0.0006203600000000 ] - [ 0.0006890700000000, -0.0226906600000000, -0.0039079300000000 ] - [ 0.0004659100000000, 0.0071226600000000, 0.0062408100000000 ] - [ 0.0006768800000000, 0.0017681900000000, -0.0030542400000000 ] - [ -0.0006697000000000, -0.0014854300000000, 0.0020315300000000 ] - [ 0.0329146500000000, 0.0110175700000000, 0.0253766300000000 ] - [ 0.0004978100000000, -0.0007437500000000, 0.0050669100000000 ] - [ 0.0011642700000000, -0.0005339600000000, -0.0011345700000000 ] - [ -0.0017575400000000, 0.0005382000000000, 0.0021443000000000 ] - [ -0.0007263900000000, 0.0001645800000000, -0.0038352800000000 ] - [ 0.0004443700000000, 0.0015258100000000, 0.0026545600000000 ] - [ 0.0045864700000000, 0.0003542600000000, -0.0026978300000000 ] - [ -0.0029234900000000, -0.0008009700000000, 0.0044253800000000 ] - [ -0.0007478900000000, -0.0005647600000000, -0.0010388400000000 ] - [ 0.0012677100000000, 0.0005261300000000, 0.0022617200000000 ] - [ 0.0004677300000000, -0.0015014100000000, -0.0023717000000000 ] - [ -0.0004639500000000, 0.0008615800000000, 0.0013398200000000 ] - [ -0.0002045100000000, 0.0017727500000000, 0.0025715500000000 ] - [ -0.0004370800000000, -0.0027258500000000, -0.0028160400000000 ] - [ 0.0490462200000000, 0.0896610600000000, 0.1689562000000000 ] - [ 0.0060723200000000, 0.0044601900000000, -0.0172778100000000 ] - [ -0.0043337700000000, 0.0009663000000000, 0.0077737100000000 ] - [ 0.0009821100000000, 0.0022847100000000, -0.0074092400000000 ] - [ -0.0023055100000000, -0.0002376200000000, 0.0037623200000000 ] - [ 0.0001202500000000, -0.0019129500000000, -0.0037388000000000 ] - [ 0.0021198400000000, -0.0005571000000000, 0.0050164700000000 ] - [ 0.0010302400000000, -0.0024507300000000, -0.0064918600000000 ] - [ -0.0012513700000000, -0.0014636300000000, 0.0013863700000000 ] - [ 0.0001012200000000, 0.0003176800000000, -0.0012660400000000 ] - [ -0.0007858900000000, 0.0006822700000000, 0.0032120800000000 ] - [ -0.0000252900000000, 0.0000304000000000, -0.0015081600000000 ] - [ 0.0013754900000000, -0.0013909900000000, -0.0000091400000000 ] - [ -0.0005152900000000, 0.0006799900000000, -0.0012798300000000 ] - [ 0.0024638800000000, 0.0022427400000000, 0.0024837200000000 ] - [ -0.0005573900000000, -0.0005705000000000, -0.0020026700000000 ] - [ 0.0065674200000000, -0.0004410300000000, 0.0515360700000000 ] - [ 0.0000762000000000, 0.0047409700000000, -0.0344328900000000 ] - [ -0.0030553200000000, -0.0049414900000000, 0.0015520900000000 ] - [ -0.0009553200000000, 0.0007274300000000, -0.0015366000000000 ] - [ 0.0010282600000000, -0.0186857600000000, 0.0058806400000000 ] - [ 0.0017551700000000, 0.0042826400000000, -0.0034315200000000 ] - [ -0.0154336000000000, 0.0015196900000000, 0.0008718800000000 ] - [ 0.0001624200000000, 0.0011463100000000, -0.0034690400000000 ] - [ 0.0040498900000000, -0.0022753800000000, 0.0261100000000000 ] - [ -0.0004136400000000, -0.0027043000000000, -0.0091689300000000 ] - [ -0.0012373800000000, 0.0038807200000000, 0.0003676900000000 ] - [ 0.0016784400000000, -0.0036186500000000, -0.0022826300000000 ] - [ -0.0167404300000000, 0.0036338400000000, -0.0123993100000000 ] - [ 0.0113947200000000, 0.0011239200000000, -0.0100157900000000 ] - [ -0.0001614300000000, 0.0013956700000000, 0.0061388700000000 ] - [ 0.0004204400000000, -0.0005377700000000, -0.0043942200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0810322500000000, 0.1233975900000000, 0.3472476100000000 ] - [ -0.0025850300000000, -0.0028850600000000, -0.0154811700000000 ] - [ 0.0007174400000000, 0.0008559900000000, 0.0027793600000000 ] - [ 0.0016299400000000, 0.0011705700000000, -0.0029969400000000 ] - [ -0.0014066100000000, 0.0021401000000000, 0.0021999600000000 ] - [ -0.0001099300000000, -0.0009180000000000, -0.0042359200000000 ] - [ 0.0013413800000000, -0.0016348200000000, 0.0022076600000000 ] - [ 0.0002174600000000, -0.0002111000000000, -0.0042376200000000 ] - [ -0.0002627000000000, 0.0013943600000000, 0.0058833600000000 ] - [ -0.0017599700000000, 0.0013119700000000, -0.0046103200000000 ] - [ 0.0013300300000000, 0.0018032300000000, 0.0018152400000000 ] - [ 0.0007117600000000, 0.0005630500000000, -0.0016071400000000 ] - [ 0.0019301200000000, -0.0126237400000000, -0.0689329300000000 ] - [ 0.0033844900000000, 0.0048630000000000, -0.0288306600000000 ] - [ -0.0005752600000000, -0.0000869300000000, 0.0069987800000000 ] - [ 0.0021899000000000, -0.0016166300000000, -0.0056058000000000 ] - [ -0.0029523500000000, -0.0009862400000000, 0.0013729900000000 ] - [ 0.0012616400000000, 0.0008002600000000, -0.0000891900000000 ] - [ 0.0004382900000000, 0.0018920000000000, -0.0007754500000000 ] - [ -0.0006946100000000, -0.0041443800000000, -0.0003514700000000 ] - [ -0.0002145600000000, 0.0076886000000000, -0.0032492600000000 ] - [ -0.0016563100000000, -0.0276614100000000, -0.0079740500000000 ] - [ -0.0305097500000000, 0.0006448900000000, -0.0073299900000000 ] - [ 0.0053342300000000, 0.0000874800000000, -0.0021482300000000 ] - [ -0.0001260000000000, 0.0000283600000000, 0.0025069200000000 ] - [ 0.0000475800000000, -0.0004748000000000, -0.0021604800000000 ] - [ -0.0002352000000000, -0.0001133300000000, 0.0002390000000000 ] - [ 0.0000580400000000, -0.0006092100000000, 0.0006220200000000 ] - [ -0.0013462300000000, -0.0035652200000000, -0.0019492100000000 ] - [ 0.0006442400000000, 0.0031856700000000, 0.0008206000000000 ] - [ -0.0000383500000000, 0.0002887300000000, 0.0010447000000000 ] - [ -0.0008003200000000, -0.0004782400000000, -0.0020616300000000 ] - [ -0.0022072100000000, -0.0290034100000000, 0.0043143500000000 ] - [ -0.0000399300000000, 0.0047045900000000, -0.0061870400000000 ] - [ 0.0006173500000000, -0.0002595100000000, 0.0026527300000000 ] - [ 0.0008502200000000, -0.0001797500000000, -0.0017254000000000 ] - [ -0.0012676200000000, 0.0054070600000000, -0.0002852700000000 ] - [ 0.0007721700000000, -0.0041272500000000, -0.0009690700000000 ] - [ -0.0010055800000000, 0.0042646000000000, 0.0020238500000000 ] - [ -0.0000906000000000, -0.0021869900000000, -0.0011426000000000 ] - [ -0.0018397000000000, 0.0007977200000000, -0.0023852500000000 ] - [ 0.0243529500000000, 0.0015012800000000, -0.0162155200000000 ] - [ -0.0010262900000000, 0.0001072400000000, -0.0009168800000000 ] - [ 0.0002136600000000, -0.0007218900000000, 0.0004396800000000 ] - [ 0.0002746300000000, -0.0048143200000000, 0.0024182200000000 ] - [ 0.0004332800000000, 0.0012153200000000, -0.0007694700000000 ] - [ -0.0056681300000000, 0.0004182900000000, -0.0036497100000000 ] - [ 0.0006601100000000, -0.0000405000000000, 0.0012259000000000 ] - [ -0.0002813800000000, 0.0002035400000000, -0.0005006700000000 ] - [ 0.0020249100000000, -0.0012940800000000, -0.0002048400000000 ] - [ -0.0003759900000000, -0.0016328400000000, 0.0008494000000000 ] - [ -0.0002385200000000, 0.0010119400000000, -0.0004591300000000 ] - [ -0.0001308000000000, 0.0227002100000000, 0.0041700200000000 ] - [ 0.0000990100000000, -0.0074306500000000, -0.0060922500000000 ] - [ -0.0007809000000000, -0.0010447300000000, 0.0021585600000000 ] - [ 0.0005701200000000, 0.0022258100000000, -0.0029616500000000 ] - [ -0.0321347000000000, -0.0107725600000000, -0.0246878900000000 ] - [ 0.0002452700000000, 0.0008572600000000, -0.0041980500000000 ] - [ -0.0018984000000000, 0.0004345400000000, 0.0020444300000000 ] - [ 0.0010426400000000, -0.0006442500000000, -0.0012481100000000 ] - [ 0.0008337900000000, -0.0009286800000000, 0.0029480100000000 ] - [ -0.0003419200000000, -0.0022611000000000, -0.0035780900000000 ] - [ -0.0053423600000000, -0.0002519500000000, 0.0036170000000000 ] - [ 0.0022160800000000, 0.0009112300000000, -0.0035532500000000 ] - [ 0.0014648000000000, 0.0004640700000000, 0.0019340200000000 ] - [ -0.0005493000000000, -0.0006329600000000, -0.0013663800000000 ] - [ -0.0005726400000000, 0.0007774300000000, 0.0014711800000000 ] - [ 0.0003631100000000, -0.0015929000000000, -0.0022618000000000 ] - [ 0.0002243400000000, -0.0017882700000000, -0.0026171800000000 ] - [ 0.0004349600000000, 0.0027432500000000, 0.0028507000000000 ] - [ -0.0426982900000000, -0.0795944300000000, -0.1591453200000000 ] - [ -0.0041762500000000, -0.0025517700000000, 0.0174239200000000 ] - [ 0.0023939900000000, 0.0009818100000000, -0.0078201800000000 ] - [ -0.0029564800000000, -0.0003441400000000, 0.0074641900000000 ] - [ 0.0003554100000000, -0.0017227800000000, -0.0037827900000000 ] - [ -0.0020847300000000, -0.0000395800000000, 0.0037593500000000 ] - [ -0.0001670700000000, -0.0013968300000000, -0.0050076200000000 ] - [ 0.0009124600000000, 0.0005017500000000, 0.0065319200000000 ] - [ 0.0012746700000000, 0.0014799000000000, -0.0013917700000000 ] - [ -0.0001034500000000, -0.0003218600000000, 0.0012719100000000 ] - [ 0.0008387400000000, -0.0007082900000000, -0.0027879300000000 ] - [ 0.0000231200000000, -0.0000270500000000, 0.0019694800000000 ] - [ -0.0013967800000000, 0.0014047100000000, -0.0004246600000000 ] - [ 0.0005206800000000, -0.0006875600000000, 0.0008310500000000 ] - [ -0.0025429400000000, -0.0023064500000000, -0.0024552700000000 ] - [ 0.0005680800000000, 0.0005802300000000, 0.0020170400000000 ] - [ -0.0050756300000000, 0.0029919000000000, -0.0568003800000000 ] - [ 0.0020152900000000, -0.0026314900000000, 0.0344911500000000 ] - [ 0.0009432000000000, 0.0028525700000000, -0.0015838800000000 ] - [ -0.0011618400000000, -0.0028671300000000, 0.0015661400000000 ] - [ 0.0010920900000000, 0.0168057400000000, -0.0060314200000000 ] - [ 0.0003724400000000, -0.0064053100000000, 0.0034838900000000 ] - [ 0.0134650200000000, 0.0006067800000000, -0.0009013000000000 ] - [ -0.0022491800000000, 0.0009911100000000, 0.0035260100000000 ] - [ -0.0043292600000000, 0.0024144500000000, -0.0262019000000000 ] - [ 0.0001919600000000, 0.0026823600000000, 0.0094875900000000 ] - [ 0.0012473600000000, -0.0036823600000000, -0.0005969300000000 ] - [ -0.0016939000000000, 0.0038775800000000, 0.0020182600000000 ] - [ 0.0168668000000000, -0.0038887200000000, 0.0122811600000000 ] - [ -0.0115001800000000, -0.0013576200000000, 0.0098116600000000 ] - [ 0.0003526700000000, -0.0014097500000000, -0.0059449900000000 ] - [ -0.0001949900000000, 0.0005287300000000, 0.0046883200000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008191700000000, -0.0003408400000000, 0.0025900500000000 ] - [ -0.0010659700000000, -0.0010789000000000, -0.0016201700000000 ] - [ 0.0150726500000000, 0.0056598200000000, -0.0304549900000000 ] - [ 0.0018959600000000, 0.0005867100000000, 0.0049882500000000 ] - [ -0.0017649000000000, 0.0012938800000000, 0.0080649500000000 ] - [ 0.0032848800000000, -0.0040369200000000, -0.0270867300000000 ] - [ 0.0007166100000000, -0.0006917500000000, -0.0015300300000000 ] - [ 0.0016942100000000, -0.0028790600000000, 0.0044746600000000 ] - [ 0.0126382200000000, -0.0036574100000000, 0.0300445300000000 ] - [ -0.0005084500000000, 0.0014112100000000, -0.0057123000000000 ] - [ 0.0002379700000000, 0.0010960500000000, -0.0073509000000000 ] - [ 0.0054485800000000, 0.0064214700000000, 0.0276870100000000 ] - [ -0.0012826400000000, -0.0017073600000000, 0.0022446000000000 ] - [ -0.0003123200000000, 0.0004831200000000, -0.0037679800000000 ] - [ 0.0015822500000000, -0.0016635400000000, -0.0032887400000000 ] - [ 0.0013318100000000, -0.0009160800000000, 0.0008980200000000 ] - [ -0.3239770700000000, 0.0004994800000000, 0.0019088800000000 ] - [ -0.0045511500000000, 0.0002948100000000, 0.0004938500000000 ] - [ 0.0000554500000000, -0.0010514800000000, -0.0008262800000000 ] - [ 0.0145338900000000, -0.0569293100000000, 0.0044490000000000 ] - [ -0.0005355700000000, 0.0010501400000000, -0.0001661800000000 ] - [ 0.0138252000000000, 0.0574304900000000, -0.0055106900000000 ] - [ -0.0247847700000000, -0.0002934100000000, 0.0005019400000000 ] - [ -0.0025314700000000, -0.0002960100000000, 0.0004929400000000 ] - [ 0.0082564000000000, -0.0025557500000000, -0.0005713700000000 ] - [ 0.0009791900000000, -0.0001227200000000, -0.0009841200000000 ] - [ 0.0010282200000000, 0.0001326900000000, 0.0004721200000000 ] - [ 0.0056376700000000, 0.0000875500000000, 0.0004763100000000 ] - [ 0.0006160400000000, -0.0001324600000000, 0.0004724100000000 ] - [ 0.0028392200000000, -0.0001219300000000, 0.0004752300000000 ] - [ 0.0085287500000000, 0.0025574800000000, -0.0003540200000000 ] - [ 0.0012505500000000, 0.0001245300000000, 0.0000376100000000 ] - [ 0.0004391500000000, -0.0017355000000000, 0.0025266600000000 ] - [ 0.0003698200000000, 0.0009023900000000, -0.0015144400000000 ] - [ -0.0222490000000000, 0.0000181900000000, -0.0002312000000000 ] - [ -0.0031893100000000, 0.0000016900000000, -0.0002302200000000 ] - [ 0.0010333600000000, -0.0000000400000000, 0.0002320700000000 ] - [ 0.0049392100000000, 0.0000519000000000, 0.0002181500000000 ] - [ -0.0020749400000000, -0.0002660900000000, 0.0009849000000000 ] - [ -0.0005009100000000, 0.0003874700000000, 0.0003194900000000 ] - [ 0.0011276200000000, 0.0002997700000000, -0.0006035800000000 ] - [ 0.0104169300000000, 0.0033467900000000, -0.0039187000000000 ] - [ 0.0029212700000000, -0.0003501200000000, 0.0010543200000000 ] - [ 0.0814386800000000, -0.0024816800000000, 0.0166506800000000 ] - [ 0.0107439900000000, -0.0455785800000000, 0.0116339400000000 ] - [ 0.0000313400000000, -0.0005072700000000, 0.0004681800000000 ] - [ 0.0014535800000000, 0.0002599600000000, 0.0004340400000000 ] - [ 0.0107427200000000, -0.0027773100000000, 0.0037619700000000 ] - [ 0.0025944300000000, -0.0002115400000000, -0.0012243200000000 ] - [ 0.0819171800000000, 0.0019859100000000, -0.0168131100000000 ] - [ 0.0103152900000000, 0.0455687200000000, -0.0114345400000000 ] - [ -0.0005276200000000, 0.0008297700000000, -0.0003013200000000 ] - [ -0.0015220800000000, 0.0000089800000000, -0.0007934000000000 ] - [ 0.0000595100000000, -0.0007066300000000, -0.0001473400000000 ] - [ 0.0003394000000000, 0.0024482400000000, -0.0034249300000000 ] - [ 0.0002767200000000, -0.0001721300000000, 0.0005992400000000 ] - [ 0.0023924100000000, -0.0003800800000000, 0.0018769300000000 ] - [ 0.0025278300000000, -0.0002147600000000, 0.0009493700000000 ] - [ 0.0074055600000000, 0.0006867900000000, -0.0066298800000000 ] - [ 0.0096398800000000, -0.0002011700000000, 0.0005218900000000 ] - [ 0.0002454300000000, -0.0038667800000000, 0.0023422600000000 ] - [ 0.0008123400000000, -0.0040935900000000, -0.0043342100000000 ] - [ 0.0016745300000000, 0.0004795000000000, -0.0009648900000000 ] - [ 0.0018324800000000, 0.0003249200000000, -0.0000599400000000 ] - [ 0.0081215100000000, -0.0007927100000000, 0.0075362700000000 ] - [ 0.0102596500000000, 0.0000811500000000, 0.0003110900000000 ] - [ 0.0001560300000000, 0.0031533500000000, -0.0032472500000000 ] - [ 0.0007273500000000, 0.0033648500000000, 0.0034280500000000 ] - [ -0.0109737200000000, 0.0000186400000000, -0.0000206900000000 ] - [ -0.0017000700000000, -0.0000010300000000, 0.0000012300000000 ] - [ -0.0010577000000000, 0.0021223400000000, -0.0039800500000000 ] - [ -0.0022609300000000, 0.0002136100000000, 0.0035049200000000 ] - [ -0.0030260700000000, -0.0001484200000000, 0.0039752500000000 ] - [ -0.0042526900000000, 0.0017393600000000, -0.0034906800000000 ] - [ -0.0070666600000000, -0.0119977700000000, 0.0212574100000000 ] - [ -0.0107795600000000, -0.0070220700000000, -0.0175454900000000 ] - [ -0.0050789000000000, 0.0100632700000000, -0.0212554800000000 ] - [ -0.0087586800000000, 0.0050692300000000, 0.0175322700000000 ] - [ -0.0017557400000000, -0.0000005500000000, -0.0000032000000000 ] - [ -0.0009894700000000, 0.0000013100000000, 0.0000056500000000 ] - [ -0.0035738500000000, -0.0000029700000000, 0.0002155400000000 ] - [ -0.0008169600000000, -0.0000005900000000, 0.0002298800000000 ] - [ 0.0014136800000000, -0.0000028700000000, -0.0002208400000000 ] - [ 0.0030974400000000, -0.0000207100000000, -0.0002349800000000 ] - [ 0.0038659300000000, 0.0000286100000000, 0.0000452100000000 ] - [ 0.0031920700000000, 0.0000149400000000, -0.0000257700000000 ] - [ 0.0105732200000000, -0.0303452100000000, -0.0043644000000000 ] - [ 0.0020138100000000, 0.0006141400000000, -0.0006477300000000 ] - [ 0.0557781000000000, 0.0092055500000000, 0.0104043800000000 ] - [ 0.0004947100000000, -0.0006967200000000, 0.0014410000000000 ] - [ 0.0675895200000000, -0.0117896500000000, -0.0119938800000000 ] - [ 0.0026369700000000, -0.0014349500000000, -0.0014206100000000 ] - [ 0.0083874700000000, 0.0324040500000000, 0.0043373900000000 ] - [ -0.0001259400000000, 0.0015253200000000, 0.0006570800000000 ] - [ 0.0080627400000000, 0.0238127200000000, -0.0189882300000000 ] - [ 0.0017665500000000, 0.0021122600000000, 0.0021794400000000 ] - [ -0.0100674200000000, 0.0001129700000000, -0.0001278600000000 ] - [ -0.0639879600000000, 0.0001271200000000, -0.0000031100000000 ] - [ -0.0037341000000000, -0.0001075100000000, -0.0001312100000000 ] - [ -0.0152613700000000, -0.0001488800000000, -0.0001237400000000 ] - [ 0.0082115800000000, -0.0238639800000000, 0.0191819600000000 ] - [ 0.0019724100000000, -0.0021204400000000, -0.0019147600000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0007815300000000, -0.0001619100000000, 0.0009206400000000 ] - [ -0.0012224600000000, -0.0009522600000000, -0.0008658700000000 ] - [ 0.0007845200000000, -0.0018990200000000, 0.0005346000000000 ] - [ 0.0010954300000000, 0.0008481900000000, 0.0000320500000000 ] - [ -0.0009000000000000, 0.0008848300000000, 0.0002742000000000 ] - [ -0.0019333400000000, -0.0001017500000000, 0.0017316100000000 ] - [ 0.0008908800000000, -0.0008441200000000, 0.0005096200000000 ] - [ 0.0008583600000000, -0.0004654100000000, -0.0006347600000000 ] - [ -0.0007845200000000, -0.0018990200000000, 0.0005346000000000 ] - [ -0.0010954300000000, 0.0008481900000000, 0.0000320500000000 ] - [ 0.0009000000000000, 0.0008848300000000, 0.0002742000000000 ] - [ 0.0019333400000000, -0.0001017500000000, 0.0017316100000000 ] - [ -0.0008908800000000, -0.0008441200000000, 0.0005096200000000 ] - [ -0.0008583600000000, -0.0004654100000000, -0.0006347600000000 ] - [ 0.0007815300000000, -0.0001619100000000, 0.0009206400000000 ] - [ 0.0012224600000000, -0.0009522600000000, -0.0008658700000000 ] - [ 0.0000000000000000, -0.0417715000000000, 0.0020834400000000 ] - [ 0.0000000000000000, 0.0002326200000000, 0.0005195000000000 ] - [ 0.0002606500000000, -0.0002432900000000, -0.0004765300000000 ] - [ -0.0145654900000000, 0.0142645700000000, -0.0032464000000000 ] - [ -0.0002606500000000, -0.0002432900000000, -0.0004765300000000 ] - [ 0.0145654900000000, 0.0142645700000000, -0.0032464000000000 ] - [ 0.0000000000000000, 0.0008896300000000, 0.0006579200000000 ] - [ 0.0000000000000000, -0.0002659700000000, 0.0004264500000000 ] - [ -0.0019574000000000, 0.0011199500000000, -0.0003263800000000 ] - [ -0.0001251600000000, 0.0000646100000000, -0.0004776500000000 ] - [ 0.0000000000000000, 0.0000679600000000, 0.0003830600000000 ] - [ 0.0000000000000000, -0.0002144400000000, 0.0011368700000000 ] - [ 0.0000000000000000, 0.0000545800000000, 0.0004332900000000 ] - [ 0.0000000000000000, 0.0019437400000000, 0.0010323200000000 ] - [ 0.0019574000000000, 0.0011199500000000, -0.0003263800000000 ] - [ 0.0001251600000000, 0.0000646100000000, -0.0004776500000000 ] - [ -0.0002426700000000, 0.0019059200000000, -0.0011742900000000 ] - [ -0.0000311800000000, 0.0009528800000000, -0.0007750600000000 ] - [ 0.0000000000000000, 0.0010046200000000, -0.0008197200000000 ] - [ 0.0000000000000000, 0.0000948600000000, -0.0001295200000000 ] - [ 0.0000000000000000, -0.0001696400000000, 0.0002426900000000 ] - [ 0.0000000000000000, -0.0022040800000000, 0.0000754400000000 ] - [ -0.0003971100000000, 0.0051842100000000, 0.0017818800000000 ] - [ -0.0002687800000000, 0.0000970800000000, 0.0001293000000000 ] - [ -0.0000781500000000, 0.0003001800000000, -0.0001528200000000 ] - [ 0.0026622700000000, 0.0013442300000000, -0.0007891100000000 ] - [ 0.0001482300000000, -0.0003272000000000, -0.0000827200000000 ] - [ 0.0025980900000000, 0.0024674000000000, 0.0005384800000000 ] - [ -0.0117979000000000, 0.0125758700000000, -0.0028270400000000 ] - [ 0.0002701900000000, 0.0001942100000000, 0.0000294300000000 ] - [ 0.0000781500000000, 0.0003001800000000, -0.0001528200000000 ] - [ -0.0026622700000000, 0.0013442300000000, -0.0007891100000000 ] - [ -0.0001482300000000, -0.0003272000000000, -0.0000827200000000 ] - [ -0.0025980900000000, 0.0024674000000000, 0.0005384800000000 ] - [ 0.0117979000000000, 0.0125758700000000, -0.0028270400000000 ] - [ -0.0002701900000000, 0.0001942100000000, 0.0000294300000000 ] - [ 0.0003971100000000, 0.0051842100000000, 0.0017818800000000 ] - [ 0.0002687800000000, 0.0000970800000000, 0.0001293000000000 ] - [ 0.0002426700000000, 0.0019059200000000, -0.0011742900000000 ] - [ 0.0000311800000000, 0.0009528800000000, -0.0007750600000000 ] - [ 0.0004595500000000, 0.0003916800000000, 0.0006178900000000 ] - [ 0.0002479200000000, 0.0002481900000000, 0.0000193300000000 ] - [ -0.0004075700000000, -0.0002678000000000, 0.0005279000000000 ] - [ -0.0003082000000000, 0.0000356100000000, 0.0007261900000000 ] - [ -0.0003076000000000, -0.0011385900000000, -0.0009176800000000 ] - [ 0.0000198400000000, -0.0002551600000000, -0.0001926600000000 ] - [ -0.0004595500000000, 0.0003916800000000, 0.0006178900000000 ] - [ -0.0002479200000000, 0.0002481900000000, 0.0000193300000000 ] - [ 0.0004075700000000, -0.0002678000000000, 0.0005279000000000 ] - [ 0.0003082000000000, 0.0000356100000000, 0.0007261900000000 ] - [ 0.0003076000000000, -0.0011385900000000, -0.0009176800000000 ] - [ -0.0000198400000000, -0.0002551600000000, -0.0001926600000000 ] - [ 0.0000000000000000, -0.0012592000000000, -0.0022203200000000 ] - [ 0.0000000000000000, -0.0001031900000000, 0.0000696300000000 ] - [ 0.0006753500000000, -0.0010334500000000, -0.0008556800000000 ] - [ 0.0008558800000000, 0.0002635000000000, 0.0011612400000000 ] - [ -0.0006753500000000, -0.0010334500000000, -0.0008556800000000 ] - [ -0.0008558800000000, 0.0002635000000000, 0.0011612400000000 ] - [ -0.0015109400000000, 0.0003481200000000, -0.0000543300000000 ] - [ -0.0011752200000000, -0.0013094600000000, -0.0008488600000000 ] - [ 0.0015109400000000, 0.0003481200000000, -0.0000543300000000 ] - [ 0.0011752200000000, -0.0013094600000000, -0.0008488600000000 ] - [ 0.0000000000000000, -0.0000479900000000, 0.0003193500000000 ] - [ 0.0000000000000000, -0.0001904100000000, -0.0000445200000000 ] - [ 0.0000000000000000, 0.0002388700000000, -0.0000138900000000 ] - [ 0.0000000000000000, 0.0001392000000000, 0.0002900100000000 ] - [ 0.0000000000000000, -0.0000746700000000, 0.0000951800000000 ] - [ 0.0000000000000000, -0.0009513100000000, -0.0009982200000000 ] - [ 0.0000000000000000, -0.0002535900000000, -0.0015278100000000 ] - [ 0.0000000000000000, 0.0001193000000000, 0.0008388400000000 ] - [ -0.0004788000000000, -0.0112708100000000, -0.0015399600000000 ] - [ 0.0009851200000000, 0.0009388900000000, 0.0002577100000000 ] - [ 0.0039300900000000, 0.0064637900000000, 0.0004895100000000 ] - [ -0.0010070100000000, -0.0007771200000000, -0.0001239500000000 ] - [ -0.0039300900000000, 0.0064637900000000, 0.0004895100000000 ] - [ 0.0010070100000000, -0.0007771200000000, -0.0001239500000000 ] - [ 0.0004788000000000, -0.0112708100000000, -0.0015399600000000 ] - [ -0.0009851200000000, 0.0009388900000000, 0.0002577100000000 ] - [ 0.0013042900000000, -0.0090210400000000, 0.0041153800000000 ] - [ -0.0000297700000000, -0.0005621600000000, 0.0000490500000000 ] - [ 0.0000000000000000, 0.0003959400000000, -0.0000129300000000 ] - [ 0.0000000000000000, 0.0025462900000000, -0.0014026800000000 ] - [ 0.0000000000000000, -0.0002046200000000, -0.0000960100000000 ] - [ 0.0000000000000000, -0.0005436600000000, 0.0024931000000000 ] - [ -0.0013042900000000, -0.0090210400000000, 0.0041153800000000 ] - [ 0.0000297700000000, -0.0005621600000000, 0.0000490500000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0015967800000000, -0.0018217100000000, -0.0016293100000000 ] - [ -0.0011590600000000, -0.0010293800000000, 0.0001429300000000 ] - [ 0.0016218600000000, 0.0038949400000000, -0.0013214600000000 ] - [ 0.0012804500000000, 0.0011313800000000, -0.0007354900000000 ] - [ -0.0010781100000000, 0.0015009900000000, 0.0004350500000000 ] - [ -0.0000379800000000, 0.0025014800000000, -0.0009761000000000 ] - [ 0.0010907300000000, -0.0015416700000000, 0.0002197600000000 ] - [ 0.0011239000000000, -0.0019166600000000, 0.0013374200000000 ] - [ -0.0016218600000000, 0.0038949400000000, -0.0013214600000000 ] - [ -0.0012804500000000, 0.0011313800000000, -0.0007354900000000 ] - [ 0.0010781100000000, 0.0015009900000000, 0.0004350500000000 ] - [ 0.0000379800000000, 0.0025014800000000, -0.0009761000000000 ] - [ -0.0010907300000000, -0.0015416700000000, 0.0002197600000000 ] - [ -0.0011239000000000, -0.0019166600000000, 0.0013374200000000 ] - [ 0.0015967800000000, -0.0018217100000000, -0.0016293100000000 ] - [ 0.0011590600000000, -0.0010293800000000, 0.0001429300000000 ] - [ 0.0000000000000000, 0.0421606500000000, -0.0012400200000000 ] - [ 0.0000000000000000, 0.0003512600000000, 0.0004711700000000 ] - [ 0.0003223700000000, 0.0002356900000000, -0.0005088100000000 ] - [ 0.0148768600000000, -0.0141000200000000, 0.0021968500000000 ] - [ -0.0003223700000000, 0.0002356900000000, -0.0005088100000000 ] - [ -0.0148768600000000, -0.0141000200000000, 0.0021968500000000 ] - [ 0.0000000000000000, -0.0014870900000000, 0.0003267300000000 ] - [ 0.0000000000000000, -0.0003193800000000, 0.0005590500000000 ] - [ 0.0017312300000000, -0.0011195100000000, -0.0006159100000000 ] - [ -0.0001400600000000, -0.0000606900000000, -0.0004602500000000 ] - [ 0.0000000000000000, 0.0001996100000000, 0.0005579800000000 ] - [ 0.0000000000000000, 0.0005348400000000, -0.0002112400000000 ] - [ 0.0000000000000000, -0.0003159300000000, 0.0005092300000000 ] - [ 0.0000000000000000, -0.0021877100000000, -0.0001031000000000 ] - [ -0.0017312300000000, -0.0011195100000000, -0.0006159100000000 ] - [ 0.0001400600000000, -0.0000606900000000, -0.0004602500000000 ] - [ 0.0003597200000000, -0.0011859100000000, 0.0002743000000000 ] - [ 0.0001429100000000, -0.0002197700000000, -0.0001405000000000 ] - [ 0.0000000000000000, -0.0009913400000000, 0.0003519500000000 ] - [ 0.0000000000000000, -0.0000900600000000, -0.0003341900000000 ] - [ 0.0000000000000000, 0.0001637600000000, 0.0002204300000000 ] - [ 0.0000000000000000, 0.0021092100000000, 0.0003908800000000 ] - [ -0.0001773600000000, -0.0054867100000000, -0.0016042800000000 ] - [ -0.0002989900000000, -0.0004119500000000, 0.0000475700000000 ] - [ -0.0002457900000000, 0.0002645300000000, -0.0000153300000000 ] - [ -0.0029307200000000, -0.0007723900000000, 0.0006085100000000 ] - [ 0.0001766600000000, -0.0002386500000000, -0.0000837200000000 ] - [ -0.0019861000000000, -0.0030485300000000, -0.0006475600000000 ] - [ 0.0126035900000000, -0.0124297000000000, 0.0030208100000000 ] - [ 0.0002964300000000, 0.0001320400000000, 0.0001405200000000 ] - [ 0.0002457900000000, 0.0002645300000000, -0.0000153300000000 ] - [ 0.0029307200000000, -0.0007723900000000, 0.0006085100000000 ] - [ -0.0001766600000000, -0.0002386500000000, -0.0000837200000000 ] - [ 0.0019861000000000, -0.0030485300000000, -0.0006475600000000 ] - [ -0.0126035900000000, -0.0124297000000000, 0.0030208100000000 ] - [ -0.0002964300000000, 0.0001320400000000, 0.0001405200000000 ] - [ 0.0001773600000000, -0.0054867100000000, -0.0016042800000000 ] - [ 0.0002989900000000, -0.0004119500000000, 0.0000475700000000 ] - [ -0.0003597200000000, -0.0011859100000000, 0.0002743000000000 ] - [ -0.0001429100000000, -0.0002197700000000, -0.0001405000000000 ] - [ 0.0002720800000000, -0.0002846800000000, 0.0002979600000000 ] - [ 0.0004760500000000, -0.0001376400000000, 0.0008802800000000 ] - [ -0.0003115400000000, 0.0001635900000000, 0.0003661300000000 ] - [ -0.0004378800000000, -0.0001380100000000, 0.0002118500000000 ] - [ 0.0004236900000000, 0.0004315700000000, 0.0000148400000000 ] - [ 0.0000971100000000, -0.0004581800000000, -0.0007099600000000 ] - [ -0.0002720800000000, -0.0002846800000000, 0.0002979600000000 ] - [ -0.0004760500000000, -0.0001376400000000, 0.0008802800000000 ] - [ 0.0003115400000000, 0.0001635900000000, 0.0003661300000000 ] - [ 0.0004378800000000, -0.0001380100000000, 0.0002118500000000 ] - [ -0.0004236900000000, 0.0004315700000000, 0.0000148400000000 ] - [ -0.0000971100000000, -0.0004581800000000, -0.0007099600000000 ] - [ 0.0000000000000000, 0.0012147800000000, 0.0022712700000000 ] - [ 0.0000000000000000, 0.0000987000000000, -0.0000737900000000 ] - [ 0.0012790700000000, 0.0030068900000000, 0.0008388300000000 ] - [ 0.0011012700000000, 0.0016911100000000, -0.0011445900000000 ] - [ -0.0012790700000000, 0.0030068900000000, 0.0008388300000000 ] - [ -0.0011012700000000, 0.0016911100000000, -0.0011445900000000 ] - [ -0.0004491400000000, -0.0023579800000000, 0.0000837900000000 ] - [ -0.0007590600000000, -0.0006678100000000, 0.0008188100000000 ] - [ 0.0004491400000000, -0.0023579800000000, 0.0000837900000000 ] - [ 0.0007590600000000, -0.0006678100000000, 0.0008188100000000 ] - [ 0.0000000000000000, 0.0000449300000000, -0.0003256800000000 ] - [ 0.0000000000000000, 0.0001846800000000, 0.0000444000000000 ] - [ 0.0000000000000000, -0.0002233300000000, 0.0004714200000000 ] - [ 0.0000000000000000, -0.0001338200000000, 0.0001559700000000 ] - [ 0.0000000000000000, 0.0000738000000000, -0.0005491700000000 ] - [ 0.0000000000000000, 0.0009526900000000, 0.0005579900000000 ] - [ 0.0000000000000000, 0.0002574800000000, 0.0015155100000000 ] - [ 0.0000000000000000, -0.0001131300000000, -0.0008339200000000 ] - [ 0.0025721300000000, 0.0133214700000000, 0.0015349000000000 ] - [ 0.0011407000000000, 0.0011918900000000, -0.0002637900000000 ] - [ -0.0048747200000000, -0.0084732800000000, -0.0003068000000000 ] - [ -0.0011175400000000, -0.0013448700000000, 0.0001142700000000 ] - [ 0.0048747200000000, -0.0084732800000000, -0.0003068000000000 ] - [ 0.0011175400000000, -0.0013448700000000, 0.0001142700000000 ] - [ -0.0025721300000000, 0.0133214700000000, 0.0015349000000000 ] - [ -0.0011407000000000, 0.0011918900000000, -0.0002637900000000 ] - [ -0.0015337700000000, 0.0090567700000000, -0.0039265600000000 ] - [ -0.0001840200000000, 0.0005450400000000, 0.0002060100000000 ] - [ 0.0000000000000000, -0.0001765000000000, -0.0002425900000000 ] - [ 0.0000000000000000, -0.0023427000000000, 0.0009738900000000 ] - [ 0.0000000000000000, 0.0000011400000000, -0.0001737000000000 ] - [ 0.0000000000000000, 0.0003861000000000, -0.0026924000000000 ] - [ 0.0015337700000000, 0.0090567700000000, -0.0039265600000000 ] - [ 0.0001840200000000, 0.0005450400000000, 0.0002060100000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0010775100000000, -0.0007431800000000, -0.0012337800000000 ] - [ -0.0011397300000000, -0.0010086400000000, 0.0002250600000000 ] - [ -0.0114925100000000, -0.0010729200000000, 0.0075096100000000 ] - [ 0.0009415800000000, 0.0007771600000000, 0.0022726100000000 ] - [ -0.0009157200000000, 0.0011104400000000, 0.0031127400000000 ] - [ -0.0071483300000000, 0.0028192300000000, 0.0077085800000000 ] - [ 0.0008337800000000, -0.0010141600000000, 0.0006346500000000 ] - [ 0.0010805800000000, -0.0012800500000000, 0.0002219900000000 ] - [ 0.0114925100000000, -0.0010729200000000, 0.0075096100000000 ] - [ -0.0009415800000000, 0.0007771600000000, 0.0022726100000000 ] - [ 0.0009157200000000, 0.0011104400000000, 0.0031127400000000 ] - [ 0.0071483300000000, 0.0028192300000000, 0.0077085800000000 ] - [ -0.0008337800000000, -0.0010141600000000, 0.0006346500000000 ] - [ -0.0010805800000000, -0.0012800500000000, 0.0002219900000000 ] - [ 0.0010775100000000, -0.0007431800000000, -0.0012337800000000 ] - [ 0.0011397300000000, -0.0010086400000000, 0.0002250600000000 ] - [ 0.0000000000000000, 0.0019216500000000, -0.0350341200000000 ] - [ 0.0000000000000000, 0.0003161300000000, 0.0011625200000000 ] - [ 0.0002751000000000, 0.0003354600000000, -0.0000691700000000 ] - [ 0.0030217900000000, -0.0050101200000000, -0.0046251100000000 ] - [ -0.0002751000000000, 0.0003354600000000, -0.0000691700000000 ] - [ -0.0030217900000000, -0.0050101200000000, -0.0046251100000000 ] - [ 0.0000000000000000, -0.0004625300000000, -0.0002805500000000 ] - [ 0.0000000000000000, -0.0002254400000000, 0.0007074800000000 ] - [ 0.0002974900000000, 0.0000535700000000, -0.0010082700000000 ] - [ -0.0003549100000000, -0.0000108300000000, -0.0000560100000000 ] - [ 0.0000000000000000, -0.0004913800000000, 0.0010469700000000 ] - [ 0.0000000000000000, 0.0013073600000000, -0.0001194400000000 ] - [ 0.0000000000000000, -0.0000600800000000, 0.0006818800000000 ] - [ 0.0000000000000000, -0.0004425800000000, 0.0002154200000000 ] - [ -0.0002974900000000, 0.0000535700000000, -0.0010082700000000 ] - [ 0.0003549100000000, -0.0000108300000000, -0.0000560100000000 ] - [ 0.0000235200000000, 0.0003287300000000, -0.0006918100000000 ] - [ 0.0001229700000000, 0.0003333900000000, -0.0002086100000000 ] - [ 0.0000000000000000, -0.0005588100000000, -0.0009463000000000 ] - [ 0.0000000000000000, 0.0000966100000000, 0.0001324200000000 ] - [ 0.0000000000000000, 0.0008074500000000, 0.0005018700000000 ] - [ 0.0000000000000000, -0.0015341700000000, 0.0002518900000000 ] - [ -0.0002552900000000, -0.0013126900000000, -0.0004888600000000 ] - [ -0.0002764700000000, 0.0003659200000000, 0.0004597300000000 ] - [ -0.0004150000000000, 0.0003399600000000, 0.0001640300000000 ] - [ -0.0001648400000000, -0.0000524600000000, -0.0002082200000000 ] - [ 0.0009704300000000, -0.0002458900000000, 0.0007368100000000 ] - [ 0.0058929100000000, -0.0003593800000000, 0.0040347000000000 ] - [ 0.0005214100000000, 0.0014979200000000, -0.0042101300000000 ] - [ 0.0002984300000000, -0.0004345700000000, 0.0007077700000000 ] - [ 0.0004150000000000, 0.0003399600000000, 0.0001640300000000 ] - [ 0.0001648400000000, -0.0000524600000000, -0.0002082200000000 ] - [ -0.0009704300000000, -0.0002458900000000, 0.0007368100000000 ] - [ -0.0058929100000000, -0.0003593800000000, 0.0040347000000000 ] - [ -0.0005214100000000, 0.0014979200000000, -0.0042101300000000 ] - [ -0.0002984300000000, -0.0004345700000000, 0.0007077700000000 ] - [ 0.0002552900000000, -0.0013126900000000, -0.0004888600000000 ] - [ 0.0002764700000000, 0.0003659200000000, 0.0004597300000000 ] - [ -0.0000235200000000, 0.0003287300000000, -0.0006918100000000 ] - [ -0.0001229700000000, 0.0003333900000000, -0.0002086100000000 ] - [ 0.0003633600000000, 0.0001102000000000, 0.0004517500000000 ] - [ 0.0005905500000000, -0.0000485100000000, 0.0006448900000000 ] - [ -0.0027356500000000, -0.0006263000000000, 0.0029985500000000 ] - [ 0.0002559900000000, 0.0002439800000000, 0.0016441300000000 ] - [ 0.0000986500000000, -0.0023932800000000, -0.0007954400000000 ] - [ 0.0001261300000000, 0.0009604600000000, 0.0008859700000000 ] - [ -0.0003633600000000, 0.0001102000000000, 0.0004517500000000 ] - [ -0.0005905500000000, -0.0000485100000000, 0.0006448900000000 ] - [ 0.0027356500000000, -0.0006263000000000, 0.0029985500000000 ] - [ -0.0002559900000000, 0.0002439800000000, 0.0016441300000000 ] - [ -0.0000986500000000, -0.0023932800000000, -0.0007954400000000 ] - [ -0.0001261300000000, 0.0009604600000000, 0.0008859700000000 ] - [ 0.0000000000000000, -0.0005460800000000, 0.0012822000000000 ] - [ 0.0000000000000000, 0.0004011800000000, -0.0008053000000000 ] - [ 0.0009499400000000, 0.0008319400000000, 0.0001744000000000 ] - [ 0.0007088400000000, 0.0010294400000000, -0.0003913800000000 ] - [ -0.0009499400000000, 0.0008319400000000, 0.0001744000000000 ] - [ -0.0007088400000000, 0.0010294400000000, -0.0003913800000000 ] - [ 0.0006196800000000, 0.0038842900000000, -0.0070771800000000 ] - [ -0.0017955700000000, -0.0026557700000000, -0.0050670400000000 ] - [ -0.0006196800000000, 0.0038842900000000, -0.0070771800000000 ] - [ 0.0017955700000000, -0.0026557700000000, -0.0050670400000000 ] - [ 0.0000000000000000, 0.0002472200000000, 0.0001167900000000 ] - [ 0.0000000000000000, -0.0001988100000000, -0.0001808400000000 ] - [ 0.0000000000000000, -0.0003260600000000, 0.0007564000000000 ] - [ 0.0000000000000000, 0.0001436900000000, -0.0001672800000000 ] - [ 0.0000000000000000, 0.0002981100000000, -0.0004812800000000 ] - [ 0.0000000000000000, -0.0007253600000000, -0.0002485800000000 ] - [ 0.0000000000000000, -0.0021290800000000, -0.0021430400000000 ] - [ 0.0000000000000000, 0.0010021300000000, -0.0011252200000000 ] - [ 0.0005911000000000, 0.0032151500000000, 0.0017803800000000 ] - [ 0.0011514000000000, 0.0005345000000000, -0.0010657400000000 ] - [ 0.0305291500000000, 0.0000083200000000, 0.0126348500000000 ] - [ -0.0012293800000000, -0.0010672900000000, -0.0037014300000000 ] - [ -0.0305291500000000, 0.0000083200000000, 0.0126348500000000 ] - [ 0.0012293800000000, -0.0010672900000000, -0.0037014300000000 ] - [ -0.0005911000000000, 0.0032151500000000, 0.0017803800000000 ] - [ -0.0011514000000000, 0.0005345000000000, -0.0010657400000000 ] - [ -0.0009338700000000, 0.0016233000000000, 0.0024767000000000 ] - [ -0.0000685300000000, -0.0005044200000000, -0.0015205600000000 ] - [ 0.0000000000000000, -0.0003601300000000, -0.0030235900000000 ] - [ 0.0000000000000000, -0.0000096200000000, 0.0002602100000000 ] - [ 0.0000000000000000, -0.0007293300000000, -0.0006404400000000 ] - [ 0.0000000000000000, 0.0011321200000000, -0.0000423400000000 ] - [ 0.0009338700000000, 0.0016233000000000, 0.0024767000000000 ] - [ 0.0000685300000000, -0.0005044200000000, -0.0015205600000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0013035500000000, -0.0012358500000000, 0.0005069300000000 ] - [ -0.0012384400000000, -0.0009709100000000, -0.0009332900000000 ] - [ 0.0136674600000000, 0.0030429200000000, -0.0081269600000000 ] - [ 0.0014339900000000, 0.0012028100000000, -0.0029927300000000 ] - [ -0.0010624400000000, 0.0012684200000000, -0.0023836000000000 ] - [ 0.0053080500000000, -0.0004641500000000, -0.0071369100000000 ] - [ 0.0011445000000000, -0.0013655700000000, 0.0000800000000000 ] - [ 0.0008999200000000, -0.0011058900000000, 0.0005020000000000 ] - [ -0.0136674600000000, 0.0030429200000000, -0.0081269600000000 ] - [ -0.0014339900000000, 0.0012028100000000, -0.0029927300000000 ] - [ 0.0010624400000000, 0.0012684200000000, -0.0023836000000000 ] - [ -0.0053080500000000, -0.0004641500000000, -0.0071369100000000 ] - [ -0.0011445000000000, -0.0013655700000000, 0.0000800000000000 ] - [ -0.0008999200000000, -0.0011058900000000, 0.0005020000000000 ] - [ 0.0013035500000000, -0.0012358500000000, 0.0005069300000000 ] - [ 0.0012384400000000, -0.0009709100000000, -0.0009332900000000 ] - [ 0.0000000000000000, -0.0013910300000000, 0.0348139200000000 ] - [ 0.0000000000000000, 0.0002678800000000, -0.0001699600000000 ] - [ 0.0003079100000000, -0.0003257700000000, -0.0009153400000000 ] - [ -0.0024206800000000, 0.0049490900000000, 0.0036835500000000 ] - [ -0.0003079100000000, -0.0003257700000000, -0.0009153400000000 ] - [ 0.0024206800000000, 0.0049490900000000, 0.0036835500000000 ] - [ 0.0000000000000000, -0.0001318700000000, 0.0012639200000000 ] - [ 0.0000000000000000, -0.0003585400000000, 0.0002795100000000 ] - [ -0.0005613700000000, -0.0000457800000000, 0.0000592600000000 ] - [ 0.0000922000000000, 0.0000104300000000, -0.0008810700000000 ] - [ 0.0000000000000000, 0.0007447400000000, -0.0001011500000000 ] - [ 0.0000000000000000, -0.0010195000000000, 0.0010653000000000 ] - [ 0.0000000000000000, -0.0002036900000000, 0.0002576400000000 ] - [ 0.0000000000000000, 0.0001862300000000, 0.0007267400000000 ] - [ 0.0005613700000000, -0.0000457800000000, 0.0000592600000000 ] - [ -0.0000922000000000, 0.0000104300000000, -0.0008810700000000 ] - [ 0.0000865800000000, 0.0004067200000000, -0.0002261800000000 ] - [ -0.0000087800000000, 0.0003854000000000, -0.0006930700000000 ] - [ 0.0000000000000000, 0.0005622900000000, 0.0004681300000000 ] - [ 0.0000000000000000, -0.0000964400000000, -0.0005938800000000 ] - [ 0.0000000000000000, -0.0007924900000000, -0.0000384300000000 ] - [ 0.0000000000000000, 0.0014899700000000, 0.0002249200000000 ] - [ -0.0003157000000000, 0.0009931600000000, 0.0006649100000000 ] - [ -0.0002904800000000, -0.0006877900000000, -0.0002865400000000 ] - [ 0.0000927100000000, 0.0002259700000000, -0.0003324800000000 ] - [ -0.0001561600000000, 0.0006102200000000, 0.0000396300000000 ] - [ -0.0006424500000000, -0.0003197200000000, -0.0008999200000000 ] - [ -0.0053091800000000, -0.0002177700000000, -0.0042000600000000 ] - [ 0.0000142400000000, -0.0011052100000000, 0.0043783900000000 ] - [ 0.0002673300000000, 0.0007488000000000, -0.0005333400000000 ] - [ -0.0000927100000000, 0.0002259700000000, -0.0003324800000000 ] - [ 0.0001561600000000, 0.0006102200000000, 0.0000396300000000 ] - [ 0.0006424500000000, -0.0003197200000000, -0.0008999200000000 ] - [ 0.0053091800000000, -0.0002177700000000, -0.0042000600000000 ] - [ -0.0000142400000000, -0.0011052100000000, 0.0043783900000000 ] - [ -0.0002673300000000, 0.0007488000000000, -0.0005333400000000 ] - [ 0.0003157000000000, 0.0009931600000000, 0.0006649100000000 ] - [ 0.0002904800000000, -0.0006877900000000, -0.0002865400000000 ] - [ -0.0000865800000000, 0.0004067200000000, -0.0002261800000000 ] - [ 0.0000087800000000, 0.0003854000000000, -0.0006930700000000 ] - [ 0.0003572200000000, 0.0000027900000000, 0.0004528200000000 ] - [ 0.0001414200000000, 0.0001561400000000, 0.0002696900000000 ] - [ 0.0019852600000000, 0.0005055200000000, -0.0020688500000000 ] - [ -0.0010354800000000, -0.0003490800000000, -0.0007132000000000 ] - [ 0.0000118100000000, 0.0016394000000000, -0.0001255800000000 ] - [ -0.0000086300000000, -0.0016941900000000, -0.0017994400000000 ] - [ -0.0003572200000000, 0.0000027900000000, 0.0004528200000000 ] - [ -0.0001414200000000, 0.0001561400000000, 0.0002696900000000 ] - [ -0.0019852600000000, 0.0005055200000000, -0.0020688500000000 ] - [ 0.0010354800000000, -0.0003490800000000, -0.0007132000000000 ] - [ -0.0000118100000000, 0.0016394000000000, -0.0001255800000000 ] - [ 0.0000086300000000, -0.0016941900000000, -0.0017994400000000 ] - [ 0.0000000000000000, 0.0005256700000000, -0.0012674000000000 ] - [ 0.0000000000000000, -0.0003948800000000, 0.0008003100000000 ] - [ 0.0010082800000000, 0.0011206800000000, -0.0001639400000000 ] - [ 0.0012407200000000, 0.0009337500000000, 0.0003789900000000 ] - [ -0.0010082800000000, 0.0011206800000000, -0.0001639400000000 ] - [ -0.0012407200000000, 0.0009337500000000, 0.0003789900000000 ] - [ -0.0025733800000000, -0.0057912200000000, 0.0070218400000000 ] - [ -0.0001155900000000, 0.0007102400000000, 0.0051024700000000 ] - [ 0.0025733800000000, -0.0057912200000000, 0.0070218400000000 ] - [ 0.0001155900000000, 0.0007102400000000, 0.0051024700000000 ] - [ 0.0000000000000000, -0.0002446700000000, -0.0001107400000000 ] - [ 0.0000000000000000, 0.0001983600000000, 0.0001748200000000 ] - [ 0.0000000000000000, 0.0003299700000000, -0.0002903300000000 ] - [ 0.0000000000000000, -0.0001441400000000, 0.0006110700000000 ] - [ 0.0000000000000000, -0.0002944300000000, 0.0000327400000000 ] - [ 0.0000000000000000, 0.0007324000000000, -0.0002041500000000 ] - [ 0.0000000000000000, 0.0021071900000000, 0.0021278700000000 ] - [ 0.0000000000000000, -0.0010144300000000, 0.0011334900000000 ] - [ 0.0015240500000000, -0.0010635400000000, -0.0017698600000000 ] - [ 0.0009733700000000, 0.0015858300000000, 0.0010597800000000 ] - [ -0.0317529500000000, -0.0020844000000000, -0.0119967100000000 ] - [ -0.0008956700000000, -0.0010589100000000, 0.0036896900000000 ] - [ 0.0317529500000000, -0.0020844000000000, -0.0119967100000000 ] - [ 0.0008956700000000, -0.0010589100000000, 0.0036896900000000 ] - [ -0.0015240500000000, -0.0010635400000000, -0.0017698600000000 ] - [ -0.0009733700000000, 0.0015858300000000, 0.0010597800000000 ] - [ 0.0007150300000000, -0.0016371700000000, -0.0021707200000000 ] - [ -0.0001470200000000, 0.0005122100000000, 0.0017728200000000 ] - [ 0.0000000000000000, 0.0005707500000000, 0.0027453500000000 ] - [ 0.0000000000000000, 0.0002030600000000, -0.0007338700000000 ] - [ 0.0000000000000000, 0.0005078600000000, 0.0003861900000000 ] - [ 0.0000000000000000, -0.0013154000000000, -0.0002279900000000 ] - [ -0.0007150300000000, -0.0016371700000000, -0.0021707200000000 ] - [ 0.0001470200000000, 0.0005122100000000, 0.0017728200000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0019834200000000, 0.0012146600000000, -0.0003562100000000 ] - [ -0.0019250000000000, -0.0010393500000000, -0.0005315900000000 ] - [ 0.0019796400000000, 0.0013017800000000, -0.0005193400000000 ] - [ 0.0019354600000000, 0.0011752100000000, -0.0012864900000000 ] - [ -0.0010819800000000, -0.0010368600000000, -0.0030615500000000 ] - [ -0.0023529900000000, 0.0006985500000000, 0.0036326500000000 ] - [ 0.0014703000000000, -0.0014508300000000, 0.0006108900000000 ] - [ 0.0020026600000000, -0.0014452100000000, 0.0010743700000000 ] - [ -0.0019834200000000, -0.0012146600000000, -0.0003562100000000 ] - [ -0.0019250000000000, 0.0010393500000000, -0.0005315900000000 ] - [ 0.0014703000000000, 0.0014508300000000, 0.0006108900000000 ] - [ 0.0020026600000000, 0.0014452100000000, 0.0010743700000000 ] - [ -0.0010819800000000, 0.0010368600000000, -0.0030615500000000 ] - [ -0.0023529900000000, -0.0006985500000000, 0.0036326500000000 ] - [ 0.0019796400000000, -0.0013017800000000, -0.0005193400000000 ] - [ 0.0019354600000000, -0.0011752100000000, -0.0012864900000000 ] - [ 0.0083689300000000, -0.0015403300000000, 0.0009246100000000 ] - [ 0.0011167500000000, 0.0003007800000000, 0.0002719500000000 ] - [ 0.0004768300000000, 0.0000000000000000, -0.0005643700000000 ] - [ 0.0023494000000000, 0.0000000000000000, -0.0001845100000000 ] - [ -0.0003582800000000, 0.0000000000000000, -0.0011106000000000 ] - [ -0.0006630400000000, 0.0000000000000000, 0.0006619600000000 ] - [ 0.0083689300000000, 0.0015403300000000, 0.0009246100000000 ] - [ 0.0011167500000000, -0.0003007800000000, 0.0002719500000000 ] - [ -0.2783271800000000, 0.0000000000000000, 0.1090186100000000 ] - [ -0.0013147200000000, 0.0000000000000000, -0.0006049900000000 ] - [ -0.0003694500000000, 0.0016508100000000, 0.0014543500000000 ] - [ 0.0084892300000000, 0.0234858100000000, -0.0197204200000000 ] - [ -0.0003694500000000, -0.0016508100000000, 0.0014543500000000 ] - [ 0.0084892300000000, -0.0234858100000000, -0.0197204200000000 ] - [ 0.0610981100000000, 0.0000000000000000, 0.0016050500000000 ] - [ 0.0007165900000000, 0.0000000000000000, -0.0007831800000000 ] - [ 0.0018884700000000, 0.0119533900000000, -0.0104923400000000 ] - [ -0.0008357900000000, 0.0002344500000000, -0.0001183300000000 ] - [ 0.0510798800000000, 0.0000000000000000, -0.0023481100000000 ] - [ 0.0008842400000000, 0.0000000000000000, -0.0002231400000000 ] - [ -0.0003414500000000, 0.0000000000000000, 0.0001466300000000 ] - [ -0.0003111200000000, 0.0000000000000000, 0.0001172600000000 ] - [ 0.0042112200000000, -0.0021105800000000, -0.0002387700000000 ] - [ 0.0000128200000000, -0.0004194200000000, -0.0002078100000000 ] - [ -0.0013310300000000, 0.0001812500000000, 0.0000833800000000 ] - [ -0.0112430700000000, -0.0002937600000000, 0.0036635600000000 ] - [ 0.0000701800000000, -0.0001959000000000, -0.0003242100000000 ] - [ 0.0053514900000000, 0.0011626000000000, 0.0016185500000000 ] - [ 0.0131235000000000, -0.0322272400000000, 0.0141244400000000 ] - [ 0.0001312100000000, 0.0005941800000000, -0.0005800400000000 ] - [ 0.0000701800000000, 0.0001959000000000, -0.0003242100000000 ] - [ 0.0053514900000000, -0.0011626000000000, 0.0016185500000000 ] - [ -0.0013310300000000, -0.0001812500000000, 0.0000833800000000 ] - [ -0.0112430700000000, 0.0002937600000000, 0.0036635600000000 ] - [ 0.0042112200000000, 0.0021105800000000, -0.0002387700000000 ] - [ 0.0000128200000000, 0.0004194200000000, -0.0002078100000000 ] - [ 0.0131235000000000, 0.0322272400000000, 0.0141244400000000 ] - [ 0.0001312100000000, -0.0005941800000000, -0.0005800400000000 ] - [ 0.0026111900000000, -0.0000936400000000, 0.0001991500000000 ] - [ 0.0008047800000000, 0.0006943900000000, -0.0009431200000000 ] - [ -0.0031855800000000, 0.0012720400000000, -0.0006383700000000 ] - [ -0.0027549200000000, -0.0004205300000000, -0.0008644900000000 ] - [ 0.0000356900000000, 0.0004312600000000, 0.0009871100000000 ] - [ 0.0021198700000000, 0.0009828800000000, -0.0012302100000000 ] - [ 0.0018884700000000, -0.0119533900000000, -0.0104923400000000 ] - [ -0.0008357900000000, -0.0002344500000000, -0.0001183300000000 ] - [ 0.0000356900000000, -0.0004312600000000, 0.0009871100000000 ] - [ 0.0021198700000000, -0.0009828800000000, -0.0012302100000000 ] - [ -0.0031855800000000, -0.0012720400000000, -0.0006383700000000 ] - [ -0.0027549200000000, 0.0004205300000000, -0.0008644900000000 ] - [ 0.0026111900000000, 0.0000936400000000, 0.0001991500000000 ] - [ 0.0008047800000000, -0.0006943900000000, -0.0009431200000000 ] - [ 0.1131718800000000, 0.0000000000000000, -0.0611788500000000 ] - [ 0.0005799900000000, 0.0000000000000000, -0.0006476600000000 ] - [ 0.0062254800000000, -0.0095187900000000, 0.0035026100000000 ] - [ 0.0056886600000000, 0.0013673900000000, -0.0016887800000000 ] - [ -0.0024406100000000, 0.0019239200000000, -0.0003502500000000 ] - [ -0.0045148600000000, 0.0010460400000000, 0.0006628500000000 ] - [ -0.0024406100000000, -0.0019239200000000, -0.0003502500000000 ] - [ -0.0045148600000000, -0.0010460400000000, 0.0006628500000000 ] - [ 0.0062254800000000, 0.0095187900000000, 0.0035026100000000 ] - [ 0.0056886600000000, -0.0013673900000000, -0.0016887800000000 ] - [ 0.0049298900000000, 0.0000000000000000, -0.0006170900000000 ] - [ 0.0002941900000000, 0.0000000000000000, 0.0021630700000000 ] - [ 0.0004838000000000, 0.0000000000000000, -0.0001925000000000 ] - [ 0.0001876500000000, 0.0000000000000000, 0.0007265700000000 ] - [ -0.0010148300000000, 0.0000000000000000, 0.0011562700000000 ] - [ -0.0012948000000000, 0.0000000000000000, -0.0017254700000000 ] - [ -0.0006362300000000, 0.0000000000000000, 0.0002752900000000 ] - [ -0.0004298100000000, 0.0000000000000000, -0.0002725000000000 ] - [ 0.0063822600000000, -0.0188603700000000, -0.0038631000000000 ] - [ 0.0015260400000000, 0.0010266700000000, 0.0027474300000000 ] - [ -0.0117089000000000, -0.0027698800000000, -0.0014619700000000 ] - [ -0.0021900900000000, -0.0011588900000000, 0.0006254400000000 ] - [ 0.0063822600000000, 0.0188603700000000, -0.0038631000000000 ] - [ 0.0015260400000000, -0.0010266700000000, 0.0027474300000000 ] - [ -0.0117089000000000, 0.0027698800000000, -0.0014619700000000 ] - [ -0.0021900900000000, 0.0011588900000000, 0.0006254400000000 ] - [ 0.0313343100000000, 0.0000000000000000, -0.0143857100000000 ] - [ 0.0006791400000000, 0.0000000000000000, 0.0008432100000000 ] - [ 0.0021374200000000, -0.0014955400000000, 0.0001108400000000 ] - [ 0.0040953900000000, -0.0184596100000000, -0.0012376300000000 ] - [ 0.0021374200000000, 0.0014955400000000, 0.0001108400000000 ] - [ 0.0040953900000000, 0.0184596100000000, -0.0012376300000000 ] - [ -0.0496192500000000, 0.0000000000000000, -0.0062459100000000 ] - [ -0.0016771100000000, 0.0000000000000000, 0.0012123800000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003842200000000, -0.0031990500000000, -0.0003373900000000 ] - [ -0.0004553000000000, -0.0009415400000000, -0.0001872900000000 ] - [ 0.0003946100000000, 0.0006889200000000, -0.0001824600000000 ] - [ 0.0004408100000000, 0.0008061200000000, 0.0005739600000000 ] - [ -0.0008962200000000, 0.0034270400000000, 0.0037867300000000 ] - [ 0.0003811100000000, 0.0016865000000000, -0.0029493800000000 ] - [ 0.0005086300000000, -0.0009421300000000, 0.0001183700000000 ] - [ -0.0000312400000000, -0.0009395900000000, -0.0003856200000000 ] - [ -0.0003842200000000, 0.0031990500000000, -0.0003373900000000 ] - [ -0.0004553000000000, 0.0009415400000000, -0.0001872900000000 ] - [ 0.0005086300000000, 0.0009421300000000, 0.0001183700000000 ] - [ -0.0000312400000000, 0.0009395900000000, -0.0003856200000000 ] - [ -0.0008962200000000, -0.0034270400000000, 0.0037867300000000 ] - [ 0.0003811100000000, -0.0016865000000000, -0.0029493800000000 ] - [ 0.0003946100000000, -0.0006889200000000, -0.0001824600000000 ] - [ 0.0004408100000000, -0.0008061200000000, 0.0005739600000000 ] - [ -0.0084130400000000, 0.0021473800000000, 0.0000617900000000 ] - [ -0.0011110400000000, 0.0002848200000000, 0.0007155800000000 ] - [ 0.0001048600000000, 0.0000000000000000, -0.0004197600000000 ] - [ -0.0017833600000000, 0.0000000000000000, -0.0008116200000000 ] - [ -0.0002261900000000, 0.0000000000000000, 0.0001257500000000 ] - [ 0.0000862600000000, 0.0000000000000000, -0.0016611200000000 ] - [ -0.0084130400000000, -0.0021473800000000, 0.0000617900000000 ] - [ -0.0011110400000000, -0.0002848200000000, 0.0007155800000000 ] - [ 0.2759035600000000, 0.0000000000000000, -0.1046622800000000 ] - [ 0.0010636000000000, 0.0000000000000000, -0.0003351800000000 ] - [ 0.0003683500000000, -0.0014062000000000, -0.0005268000000000 ] - [ -0.0086502000000000, -0.0233916200000000, 0.0207096100000000 ] - [ 0.0003683500000000, 0.0014062000000000, -0.0005268000000000 ] - [ -0.0086502000000000, 0.0233916200000000, 0.0207096100000000 ] - [ -0.0603048800000000, 0.0000000000000000, -0.0025888600000000 ] - [ -0.0004614400000000, 0.0000000000000000, -0.0001540500000000 ] - [ -0.0017192000000000, -0.0113193700000000, 0.0096650500000000 ] - [ 0.0009512600000000, 0.0005000900000000, -0.0007892200000000 ] - [ -0.0516946900000000, 0.0000000000000000, 0.0019452500000000 ] - [ -0.0008905700000000, 0.0000000000000000, -0.0002406800000000 ] - [ 0.0003405200000000, 0.0000000000000000, 0.0003157500000000 ] - [ 0.0003080700000000, 0.0000000000000000, 0.0003362000000000 ] - [ -0.0047993600000000, 0.0017079700000000, 0.0003687400000000 ] - [ -0.0005820700000000, 0.0001073300000000, 0.0003888100000000 ] - [ 0.0010115300000000, 0.0003858100000000, -0.0002557900000000 ] - [ 0.0109948100000000, 0.0008786900000000, -0.0038419800000000 ] - [ 0.0002433600000000, -0.0003691900000000, 0.0001528200000000 ] - [ -0.0051062100000000, -0.0017378300000000, -0.0018099100000000 ] - [ -0.0126346500000000, 0.0330317100000000, -0.0142184200000000 ] - [ 0.0004358000000000, -0.0002718500000000, 0.0007527300000000 ] - [ 0.0002433600000000, 0.0003691900000000, 0.0001528200000000 ] - [ -0.0051062100000000, 0.0017378300000000, -0.0018099100000000 ] - [ 0.0010115300000000, -0.0003858100000000, -0.0002557900000000 ] - [ 0.0109948100000000, -0.0008786900000000, -0.0038419800000000 ] - [ -0.0047993600000000, -0.0017079700000000, 0.0003687400000000 ] - [ -0.0005820700000000, -0.0001073300000000, 0.0003888100000000 ] - [ -0.0126346500000000, -0.0330317100000000, -0.0142184200000000 ] - [ 0.0004358000000000, 0.0002718500000000, 0.0007527300000000 ] - [ -0.0027439100000000, 0.0007844400000000, -0.0010804200000000 ] - [ -0.0009204900000000, 0.0000378100000000, 0.0000261800000000 ] - [ 0.0039325800000000, -0.0011595700000000, 0.0015376200000000 ] - [ 0.0034904800000000, 0.0005389300000000, 0.0017765700000000 ] - [ -0.0007861200000000, -0.0005354900000000, -0.0000704300000000 ] - [ -0.0028644000000000, -0.0011027200000000, 0.0021444900000000 ] - [ -0.0017192000000000, 0.0113193700000000, 0.0096650500000000 ] - [ 0.0009512600000000, -0.0005000900000000, -0.0007892200000000 ] - [ -0.0007861200000000, 0.0005354900000000, -0.0000704300000000 ] - [ -0.0028644000000000, 0.0011027200000000, 0.0021444900000000 ] - [ 0.0039325800000000, 0.0011595700000000, 0.0015376200000000 ] - [ 0.0034904800000000, -0.0005389300000000, 0.0017765700000000 ] - [ -0.0027439100000000, -0.0007844400000000, -0.0010804200000000 ] - [ -0.0009204900000000, -0.0000378100000000, 0.0000261800000000 ] - [ -0.1051667900000000, 0.0000000000000000, 0.0545796900000000 ] - [ -0.0005785600000000, 0.0000000000000000, 0.0006579500000000 ] - [ -0.0043271400000000, 0.0114924400000000, -0.0035017800000000 ] - [ -0.0037689200000000, 0.0005759400000000, 0.0017052400000000 ] - [ 0.0005125300000000, 0.0000729800000000, 0.0003231600000000 ] - [ 0.0025861000000000, 0.0009048000000000, -0.0006483100000000 ] - [ 0.0005125300000000, -0.0000729800000000, 0.0003231600000000 ] - [ 0.0025861000000000, -0.0009048000000000, -0.0006483100000000 ] - [ -0.0043271400000000, -0.0114924400000000, -0.0035017800000000 ] - [ -0.0037689200000000, -0.0005759400000000, 0.0017052400000000 ] - [ -0.0048497400000000, 0.0000000000000000, 0.0008052500000000 ] - [ -0.0002892700000000, 0.0000000000000000, -0.0021935400000000 ] - [ -0.0004809800000000, 0.0000000000000000, 0.0006428100000000 ] - [ -0.0001875400000000, 0.0000000000000000, -0.0002782600000000 ] - [ 0.0010103800000000, 0.0000000000000000, -0.0016211100000000 ] - [ 0.0012911100000000, 0.0000000000000000, 0.0012918200000000 ] - [ 0.0006342800000000, 0.0000000000000000, -0.0002806500000000 ] - [ 0.0004299900000000, 0.0000000000000000, 0.0002782700000000 ] - [ -0.0043452200000000, 0.0211371000000000, 0.0038738300000000 ] - [ 0.0005888700000000, 0.0010959400000000, -0.0027535500000000 ] - [ 0.0096802600000000, 0.0005801300000000, 0.0014879700000000 ] - [ 0.0000723000000000, -0.0009678400000000, -0.0006381700000000 ] - [ -0.0043452200000000, -0.0211371000000000, 0.0038738300000000 ] - [ 0.0005888700000000, -0.0010959400000000, -0.0027535500000000 ] - [ 0.0096802600000000, -0.0005801300000000, 0.0014879700000000 ] - [ 0.0000723000000000, 0.0009678400000000, -0.0006381700000000 ] - [ -0.0369349000000000, 0.0000000000000000, 0.0160129400000000 ] - [ -0.0009126900000000, 0.0000000000000000, -0.0005905700000000 ] - [ -0.0021263300000000, 0.0017322000000000, -0.0003625300000000 ] - [ -0.0040823600000000, 0.0188689700000000, 0.0009865400000000 ] - [ -0.0021263300000000, -0.0017322000000000, -0.0003625300000000 ] - [ -0.0040823600000000, -0.0188689700000000, 0.0009865400000000 ] - [ 0.0499954600000000, 0.0000000000000000, 0.0065726700000000 ] - [ 0.0019020600000000, 0.0000000000000000, -0.0009592900000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008322200000000, -0.0003250500000000, -0.0003910500000000 ] - [ -0.0009920600000000, -0.0009114400000000, 0.0001186500000000 ] - [ 0.0012483300000000, 0.0009567000000000, -0.0000709900000000 ] - [ 0.0015116500000000, 0.0010543200000000, -0.0008324200000000 ] - [ -0.0012848800000000, 0.0019077900000000, 0.0016989400000000 ] - [ -0.0011428200000000, 0.0014008900000000, -0.0002843300000000 ] - [ 0.0008854200000000, -0.0011712600000000, 0.0001215300000000 ] - [ 0.0007342500000000, -0.0011786800000000, 0.0004163400000000 ] - [ -0.0015581800000000, 0.0016571400000000, -0.0003273900000000 ] - [ -0.0013958200000000, 0.0010736300000000, -0.0008353700000000 ] - [ 0.0011001600000000, 0.0012130800000000, 0.0005888000000000 ] - [ 0.0012533800000000, 0.0012081200000000, 0.0003008900000000 ] - [ -0.0007032200000000, -0.0004764100000000, -0.0009834200000000 ] - [ -0.0008445300000000, -0.0009841700000000, 0.0010025400000000 ] - [ 0.0011395300000000, -0.0010260700000000, -0.0006418700000000 ] - [ 0.0008741900000000, -0.0009296800000000, 0.0001200700000000 ] - [ -0.0025611800000000, 0.0014112600000000, 0.0005444200000000 ] - [ -0.0001190200000000, 0.0003558600000000, 0.0004836800000000 ] - [ 0.0002927200000000, 0.0006199800000000, -0.0004942600000000 ] - [ 0.0002934900000000, 0.0028380700000000, -0.0004936600000000 ] - [ -0.0002937200000000, 0.0010265500000000, -0.0004936900000000 ] - [ -0.0002945900000000, 0.0056363700000000, -0.0004935900000000 ] - [ 0.0025518700000000, 0.0008260400000000, 0.0004451800000000 ] - [ 0.0001231900000000, -0.0002315300000000, 0.0005035200000000 ] - [ 0.0002790400000000, -0.0543974200000000, -0.0006215600000000 ] - [ -0.0001323600000000, -0.0001734700000000, -0.0004713300000000 ] - [ 0.0000798600000000, -0.0002377000000000, 0.0005865900000000 ] - [ 0.0093961700000000, 0.0087055400000000, -0.0134971800000000 ] - [ -0.0000787000000000, -0.0005024100000000, 0.0003572300000000 ] - [ -0.0093357200000000, 0.0084327200000000, 0.0143255000000000 ] - [ 0.0001087600000000, -0.0055336200000000, -0.0004662000000000 ] - [ 0.0001360700000000, -0.0001667500000000, -0.0004695900000000 ] - [ 0.0039152400000000, 0.0014086000000000, -0.0036180800000000 ] - [ 0.0002437500000000, -0.0001774400000000, 0.0000175600000000 ] - [ 0.0000436600000000, 0.0003002300000000, -0.0002225800000000 ] - [ -0.0000042400000000, -0.0001647900000000, -0.0002311600000000 ] - [ 0.0000012200000000, 0.0010601700000000, 0.0002319800000000 ] - [ 0.0000011400000000, 0.0063783300000000, 0.0002294500000000 ] - [ -0.0000714700000000, -0.0013292400000000, -0.0004631400000000 ] - [ -0.0002788300000000, -0.0004571100000000, -0.0000305300000000 ] - [ -0.0001505200000000, 0.0003648400000000, -0.0001878800000000 ] - [ 0.0004465900000000, 0.0019083400000000, 0.0003594600000000 ] - [ 0.0004011000000000, -0.0001957500000000, 0.0000402000000000 ] - [ 0.0018875800000000, 0.0006299800000000, 0.0004620500000000 ] - [ -0.0114259400000000, 0.0069206300000000, -0.0033725200000000 ] - [ 0.0002828700000000, -0.0002736300000000, 0.0003521600000000 ] - [ -0.0000742700000000, 0.0003659100000000, -0.0002064800000000 ] - [ -0.0015524600000000, 0.0011948500000000, -0.0006261500000000 ] - [ -0.0001760500000000, -0.0001986400000000, 0.0000198400000000 ] - [ -0.0007889600000000, 0.0013395400000000, -0.0005280200000000 ] - [ -0.0004931300000000, -0.0010445800000000, 0.0006510600000000 ] - [ -0.0002849500000000, -0.0001424200000000, 0.0002051000000000 ] - [ 0.0118945500000000, 0.0066242700000000, 0.0035297000000000 ] - [ 0.0002793500000000, -0.0005993300000000, -0.0001845100000000 ] - [ -0.0000937200000000, 0.0000896100000000, -0.0003819700000000 ] - [ -0.0003210200000000, -0.0001209000000000, -0.0001140700000000 ] - [ -0.0000976600000000, 0.0008175900000000, -0.0008128000000000 ] - [ 0.0009894400000000, 0.0003493400000000, 0.0012012100000000 ] - [ -0.0001484500000000, 0.0000386600000000, 0.0007765900000000 ] - [ 0.0009265100000000, 0.0006062700000000, -0.0007493600000000 ] - [ -0.0038374800000000, 0.0006553700000000, 0.0027111700000000 ] - [ -0.0001389800000000, -0.0009042900000000, -0.0009241100000000 ] - [ -0.0005680400000000, 0.0001467200000000, 0.0001328200000000 ] - [ -0.0016423000000000, 0.0007121400000000, 0.0016498300000000 ] - [ 0.0008134200000000, 0.0007121600000000, 0.0017277000000000 ] - [ -0.0002743600000000, 0.0002402900000000, -0.0002958300000000 ] - [ -0.0000071500000000, -0.0006528500000000, -0.0005409900000000 ] - [ 0.0002166200000000, -0.0008487900000000, -0.0007990700000000 ] - [ -0.0004799900000000, 0.0300597200000000, 0.0003543200000000 ] - [ 0.0000002000000000, 0.0005099500000000, -0.0000019500000000 ] - [ 0.0003405200000000, -0.0023946000000000, 0.0022602700000000 ] - [ 0.0002429100000000, 0.0014007000000000, -0.0011485800000000 ] - [ -0.0005889000000000, 0.0012409500000000, 0.0003260400000000 ] - [ 0.0004909600000000, 0.0013921000000000, -0.0006988200000000 ] - [ -0.0013806800000000, -0.0007051700000000, -0.0003212100000000 ] - [ -0.0024631600000000, -0.0005647600000000, 0.0006979400000000 ] - [ 0.0016415000000000, -0.0043454700000000, -0.0022689800000000 ] - [ 0.0017179500000000, -0.0005575500000000, 0.0011466000000000 ] - [ -0.0000171700000000, 0.0013608900000000, -0.0000230800000000 ] - [ 0.0000002100000000, 0.0008938400000000, -0.0000022700000000 ] - [ -0.0000006900000000, -0.0008997800000000, 0.0002245700000000 ] - [ 0.0000004000000000, -0.0003311500000000, 0.0002251500000000 ] - [ 0.0000005500000000, 0.0003587400000000, -0.0002225900000000 ] - [ -0.0000001000000000, 0.0005259500000000, -0.0002273800000000 ] - [ 0.0000005100000000, -0.0003956300000000, 0.0000000500000000 ] - [ 0.0000003900000000, -0.0003032600000000, -0.0000000400000000 ] - [ -0.0015756600000000, -0.0085037800000000, -0.0012106200000000 ] - [ 0.0009626100000000, 0.0005636800000000, 0.0005511600000000 ] - [ -0.0010289900000000, -0.0021853700000000, 0.0000739400000000 ] - [ -0.0011206200000000, -0.0013074600000000, 0.0001577500000000 ] - [ 0.0037307300000000, -0.0106101700000000, 0.0012084800000000 ] - [ 0.0011711700000000, -0.0015621400000000, -0.0005511900000000 ] - [ -0.0011038500000000, -0.0000750700000000, -0.0000776100000000 ] - [ -0.0010105900000000, 0.0008240600000000, -0.0001557100000000 ] - [ 0.0000397400000000, 0.0192078900000000, 0.0000735800000000 ] - [ -0.0001078700000000, 0.0012581300000000, 0.0001300200000000 ] - [ -0.0007593100000000, -0.0006317100000000, -0.0013082200000000 ] - [ -0.0013741600000000, -0.0119407500000000, 0.0026015200000000 ] - [ 0.0007528000000000, -0.0008458700000000, 0.0010396900000000 ] - [ 0.0013656300000000, -0.0121585400000000, -0.0028605900000000 ] - [ 0.0000959400000000, 0.0019679100000000, 0.0001239200000000 ] - [ 0.0001049100000000, 0.0009212100000000, 0.0001292400000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0015395100000000, -0.0027812600000000, -0.0033281900000000 ] - [ -0.0005864000000000, -0.0007536300000000, 0.0013199700000000 ] - [ 0.0013037300000000, 0.0014455000000000, -0.0018695600000000 ] - [ 0.0005318400000000, 0.0007935200000000, 0.0012250400000000 ] - [ -0.0013555300000000, 0.0030458000000000, 0.0027665000000000 ] - [ -0.0003801200000000, 0.0012199300000000, 0.0000284900000000 ] - [ 0.0011089200000000, -0.0013912700000000, 0.0005826500000000 ] - [ 0.0003907900000000, -0.0012431000000000, 0.0002201600000000 ] - [ -0.0015395100000000, 0.0027812600000000, -0.0033281900000000 ] - [ -0.0005864000000000, 0.0007536300000000, 0.0013199700000000 ] - [ 0.0011089200000000, 0.0013912700000000, 0.0005826500000000 ] - [ 0.0003907900000000, 0.0012431000000000, 0.0002201600000000 ] - [ -0.0013555300000000, -0.0030458000000000, 0.0027665000000000 ] - [ -0.0003801200000000, -0.0012199300000000, 0.0000284900000000 ] - [ 0.0013037300000000, -0.0014455000000000, -0.0018695600000000 ] - [ 0.0005318400000000, -0.0007935200000000, 0.0012250400000000 ] - [ -0.0000933500000000, 0.0004307300000000, -0.0000414800000000 ] - [ -0.0005083500000000, 0.0002829000000000, 0.0009046200000000 ] - [ 0.0003294500000000, 0.0000000000000000, -0.0002808300000000 ] - [ -0.0002716700000000, 0.0000000000000000, -0.0007472400000000 ] - [ -0.0003798200000000, 0.0000000000000000, 0.0000817500000000 ] - [ 0.0003806600000000, 0.0000000000000000, -0.0010833500000000 ] - [ -0.0000933500000000, -0.0004307300000000, -0.0000414800000000 ] - [ -0.0005083500000000, -0.0002829000000000, 0.0009046200000000 ] - [ 0.1044349700000000, 0.0000000000000000, -0.1387008200000000 ] - [ -0.0002665100000000, 0.0000000000000000, 0.0005993700000000 ] - [ 0.0001141200000000, 0.0011282500000000, 0.0020519100000000 ] - [ -0.0138053100000000, -0.0199529000000000, 0.0140764500000000 ] - [ 0.0001141200000000, -0.0011282500000000, 0.0020519100000000 ] - [ -0.0138053100000000, 0.0199529000000000, 0.0140764500000000 ] - [ -0.0020185400000000, 0.0000000000000000, -0.0062078700000000 ] - [ 0.0004500100000000, 0.0000000000000000, 0.0006071300000000 ] - [ -0.0060705800000000, -0.0079912700000000, 0.0046837000000000 ] - [ 0.0007209400000000, -0.0000024400000000, 0.0005575000000000 ] - [ -0.0139945400000000, 0.0000000000000000, 0.0013162800000000 ] - [ -0.0002529700000000, 0.0000000000000000, 0.0002339500000000 ] - [ 0.0002063200000000, 0.0000000000000000, 0.0004864200000000 ] - [ -0.0002428200000000, 0.0000000000000000, 0.0006325400000000 ] - [ -0.0010108800000000, -0.0027171300000000, -0.0012606100000000 ] - [ -0.0003413900000000, 0.0003530500000000, 0.0006344000000000 ] - [ -0.0007194900000000, 0.0001176300000000, 0.0005822500000000 ] - [ 0.0045284000000000, 0.0012049000000000, -0.0026222100000000 ] - [ 0.0013420600000000, -0.0001174900000000, 0.0007342200000000 ] - [ -0.0038573200000000, -0.0012353700000000, -0.0021568400000000 ] - [ 0.0056585200000000, 0.0010380000000000, -0.0054993700000000 ] - [ 0.0002919500000000, -0.0005643800000000, 0.0009709700000000 ] - [ 0.0013420600000000, 0.0001174900000000, 0.0007342200000000 ] - [ -0.0038573200000000, 0.0012353700000000, -0.0021568400000000 ] - [ -0.0007194900000000, -0.0001176300000000, 0.0005822500000000 ] - [ 0.0045284000000000, -0.0012049000000000, -0.0026222100000000 ] - [ -0.0010108800000000, 0.0027171300000000, -0.0012606100000000 ] - [ -0.0003413900000000, -0.0003530500000000, 0.0006344000000000 ] - [ 0.0056585200000000, -0.0010380000000000, -0.0054993700000000 ] - [ 0.0002919500000000, 0.0005643800000000, 0.0009709700000000 ] - [ -0.0001827300000000, -0.0002293000000000, -0.0009058700000000 ] - [ -0.0007308800000000, -0.0002201600000000, 0.0004127500000000 ] - [ 0.0012347300000000, -0.0017647800000000, 0.0013879000000000 ] - [ 0.0023482400000000, 0.0003489800000000, 0.0018824900000000 ] - [ 0.0003274500000000, 0.0004485000000000, 0.0002417400000000 ] - [ -0.0027430700000000, -0.0007133200000000, 0.0023665800000000 ] - [ -0.0060705800000000, 0.0079912700000000, 0.0046837000000000 ] - [ 0.0007209400000000, 0.0000024400000000, 0.0005575000000000 ] - [ 0.0003274500000000, -0.0004485000000000, 0.0002417400000000 ] - [ -0.0027430700000000, 0.0007133200000000, 0.0023665800000000 ] - [ 0.0012347300000000, 0.0017647800000000, 0.0013879000000000 ] - [ 0.0023482400000000, -0.0003489800000000, 0.0018824900000000 ] - [ -0.0001827300000000, 0.0002293000000000, -0.0009058700000000 ] - [ -0.0007308800000000, 0.0002201600000000, 0.0004127500000000 ] - [ -0.0727847000000000, 0.0000000000000000, 0.0843385500000000 ] - [ -0.0001745900000000, 0.0000000000000000, -0.0026493000000000 ] - [ 0.0006243800000000, 0.0106501600000000, -0.0006851000000000 ] - [ -0.0017571300000000, 0.0006957900000000, -0.0015395700000000 ] - [ -0.0020247500000000, 0.0024031900000000, 0.0010277100000000 ] - [ 0.0021185000000000, 0.0011582300000000, -0.0015953600000000 ] - [ -0.0020247500000000, -0.0024031900000000, 0.0010277100000000 ] - [ 0.0021185000000000, -0.0011582300000000, -0.0015953600000000 ] - [ 0.0006243800000000, -0.0106501600000000, -0.0006851000000000 ] - [ -0.0017571300000000, -0.0006957900000000, -0.0015395700000000 ] - [ 0.0059109900000000, 0.0000000000000000, 0.0102633100000000 ] - [ 0.0001548600000000, 0.0000000000000000, -0.0022671300000000 ] - [ -0.0001869700000000, 0.0000000000000000, 0.0011673200000000 ] - [ -0.0000694300000000, 0.0000000000000000, -0.0005972800000000 ] - [ 0.0006283600000000, 0.0000000000000000, -0.0009771600000000 ] - [ -0.0000740200000000, 0.0000000000000000, -0.0000470000000000 ] - [ 0.0002604100000000, 0.0000000000000000, 0.0002289700000000 ] - [ 0.0000730500000000, 0.0000000000000000, -0.0002333900000000 ] - [ -0.0023120100000000, 0.0021896900000000, 0.0035111700000000 ] - [ 0.0015962200000000, 0.0009770600000000, -0.0031677500000000 ] - [ 0.0024478000000000, -0.0028642500000000, 0.0019835900000000 ] - [ -0.0013182500000000, -0.0009461200000000, -0.0016313200000000 ] - [ -0.0023120100000000, -0.0021896900000000, 0.0035111700000000 ] - [ 0.0015962200000000, -0.0009770600000000, -0.0031677500000000 ] - [ 0.0024478000000000, 0.0028642500000000, 0.0019835900000000 ] - [ -0.0013182500000000, 0.0009461200000000, -0.0016313200000000 ] - [ 0.0036639300000000, 0.0000000000000000, 0.0224288600000000 ] - [ -0.0002831500000000, 0.0000000000000000, -0.0026712900000000 ] - [ -0.0013287700000000, -0.0015421100000000, -0.0021403100000000 ] - [ -0.0007417600000000, 0.0136506300000000, 0.0000363400000000 ] - [ -0.0013287700000000, 0.0015421100000000, -0.0021403100000000 ] - [ -0.0007417600000000, -0.0136506300000000, 0.0000363400000000 ] - [ 0.0074711400000000, 0.0000000000000000, 0.0046754300000000 ] - [ 0.0004735600000000, 0.0000000000000000, -0.0020882700000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0008477300000000, 0.0007970700000000, 0.0025944300000000 ] - [ -0.0018012200000000, -0.0012307700000000, -0.0020346100000000 ] - [ 0.0010850300000000, 0.0005378200000000, 0.0011490900000000 ] - [ 0.0018540300000000, 0.0011895000000000, -0.0019381900000000 ] - [ -0.0006295300000000, -0.0006587200000000, -0.0020500000000000 ] - [ -0.0016105200000000, 0.0011646600000000, 0.0007048600000000 ] - [ 0.0008752900000000, -0.0009917400000000, 0.0001262200000000 ] - [ 0.0015987300000000, -0.0011435300000000, 0.0005048300000000 ] - [ -0.0008477300000000, -0.0007970700000000, 0.0025944300000000 ] - [ -0.0018012200000000, 0.0012307700000000, -0.0020346100000000 ] - [ 0.0008752900000000, 0.0009917400000000, 0.0001262200000000 ] - [ 0.0015987300000000, 0.0011435300000000, 0.0005048300000000 ] - [ -0.0006295300000000, 0.0006587200000000, -0.0020500000000000 ] - [ -0.0016105200000000, -0.0011646600000000, 0.0007048600000000 ] - [ 0.0010850300000000, -0.0005378200000000, 0.0011490900000000 ] - [ 0.0018540300000000, -0.0011895000000000, -0.0019381900000000 ] - [ 0.0001224000000000, 0.0001432700000000, 0.0010293300000000 ] - [ 0.0005126700000000, 0.0003025400000000, 0.0000819900000000 ] - [ 0.0002552600000000, 0.0000000000000000, -0.0007074700000000 ] - [ 0.0008655700000000, 0.0000000000000000, -0.0002375700000000 ] - [ -0.0002066800000000, 0.0000000000000000, -0.0010687200000000 ] - [ -0.0009689000000000, 0.0000000000000000, 0.0000995500000000 ] - [ 0.0001224000000000, -0.0001432700000000, 0.0010293300000000 ] - [ 0.0005126700000000, -0.0003025400000000, 0.0000819900000000 ] - [ -0.1091527900000000, 0.0000000000000000, 0.1391473000000000 ] - [ 0.0000005400000000, 0.0000000000000000, -0.0015404800000000 ] - [ -0.0001148900000000, -0.0008495100000000, -0.0011011400000000 ] - [ 0.0140184600000000, 0.0204761200000000, -0.0132862100000000 ] - [ -0.0001148900000000, 0.0008495100000000, -0.0011011400000000 ] - [ 0.0140184600000000, -0.0204761200000000, -0.0132862100000000 ] - [ 0.0021810500000000, 0.0000000000000000, 0.0052872700000000 ] - [ -0.0001763100000000, 0.0000000000000000, -0.0015430800000000 ] - [ 0.0061110100000000, 0.0086792700000000, -0.0055711100000000 ] - [ -0.0006161300000000, 0.0007252600000000, -0.0014617100000000 ] - [ 0.0140478100000000, 0.0000000000000000, -0.0016948800000000 ] - [ 0.0002443500000000, 0.0000000000000000, -0.0006960000000000 ] - [ -0.0002045300000000, 0.0000000000000000, -0.0000232800000000 ] - [ 0.0002479300000000, 0.0000000000000000, -0.0001721500000000 ] - [ 0.0004459200000000, 0.0024296300000000, 0.0014471300000000 ] - [ -0.0002237100000000, -0.0006687600000000, -0.0004590300000000 ] - [ 0.0003919400000000, 0.0004471200000000, -0.0007527200000000 ] - [ -0.0049139900000000, -0.0006365400000000, 0.0024841000000000 ] - [ -0.0010155500000000, -0.0004454100000000, -0.0009034900000000 ] - [ 0.0042185200000000, 0.0006766400000000, 0.0020078800000000 ] - [ -0.0050431000000000, -0.0008424300000000, 0.0057396300000000 ] - [ 0.0002715800000000, 0.0008912300000000, -0.0008036200000000 ] - [ -0.0010155500000000, 0.0004454100000000, -0.0009034900000000 ] - [ 0.0042185200000000, -0.0006766400000000, 0.0020078800000000 ] - [ 0.0003919400000000, -0.0004471200000000, -0.0007527200000000 ] - [ -0.0049139900000000, 0.0006365400000000, 0.0024841000000000 ] - [ 0.0004459200000000, -0.0024296300000000, 0.0014471300000000 ] - [ -0.0002237100000000, 0.0006687600000000, -0.0004590300000000 ] - [ -0.0050431000000000, 0.0008424300000000, 0.0057396300000000 ] - [ 0.0002715800000000, -0.0008912300000000, -0.0008036200000000 ] - [ 0.0000796600000000, 0.0009685100000000, -0.0000204600000000 ] - [ 0.0006254300000000, 0.0009472600000000, -0.0013240000000000 ] - [ -0.0005182400000000, 0.0018712400000000, -0.0004841400000000 ] - [ -0.0016383300000000, -0.0002402500000000, -0.0009788800000000 ] - [ -0.0010446900000000, -0.0005564900000000, 0.0006632800000000 ] - [ 0.0020300500000000, 0.0006084600000000, -0.0014687900000000 ] - [ 0.0061110100000000, -0.0086792700000000, -0.0055711100000000 ] - [ -0.0006161300000000, -0.0007252600000000, -0.0014617100000000 ] - [ -0.0010446900000000, 0.0005564900000000, 0.0006632800000000 ] - [ 0.0020300500000000, -0.0006084600000000, -0.0014687900000000 ] - [ -0.0005182400000000, -0.0018712400000000, -0.0004841400000000 ] - [ -0.0016383300000000, 0.0002402500000000, -0.0009788800000000 ] - [ 0.0000796600000000, -0.0009685100000000, -0.0000204600000000 ] - [ 0.0006254300000000, -0.0009472600000000, -0.0013240000000000 ] - [ 0.0766299700000000, 0.0000000000000000, -0.0859297300000000 ] - [ 0.0001756000000000, 0.0000000000000000, 0.0026337100000000 ] - [ 0.0013410700000000, -0.0086811700000000, 0.0006995500000000 ] - [ 0.0037305800000000, 0.0012702300000000, 0.0015259900000000 ] - [ 0.0000528600000000, -0.0004505500000000, -0.0010165900000000 ] - [ -0.0040991800000000, 0.0008005500000000, 0.0015904100000000 ] - [ 0.0000528600000000, 0.0004505500000000, -0.0010165900000000 ] - [ -0.0040991800000000, -0.0008005500000000, 0.0015904100000000 ] - [ 0.0013410700000000, 0.0086811700000000, 0.0006995500000000 ] - [ 0.0037305800000000, -0.0012702300000000, 0.0015259900000000 ] - [ -0.0055644700000000, 0.0000000000000000, -0.0097843300000000 ] - [ -0.0001586200000000, 0.0000000000000000, 0.0022748300000000 ] - [ 0.0001877400000000, 0.0000000000000000, -0.0007172700000000 ] - [ 0.0000704000000000, 0.0000000000000000, 0.0010472500000000 ] - [ -0.0006279500000000, 0.0000000000000000, 0.0005325300000000 ] - [ 0.0000725900000000, 0.0000000000000000, -0.0004126300000000 ] - [ -0.0002605200000000, 0.0000000000000000, -0.0002264300000000 ] - [ -0.0000731800000000, 0.0000000000000000, 0.0002305700000000 ] - [ 0.0044721200000000, -0.0001602000000000, -0.0035194900000000 ] - [ 0.0005353100000000, 0.0011480300000000, 0.0031674800000000 ] - [ -0.0046204500000000, 0.0007581900000000, -0.0019930100000000 ] - [ -0.0008129800000000, -0.0011814600000000, 0.0016338300000000 ] - [ 0.0044721200000000, 0.0001602000000000, -0.0035194900000000 ] - [ 0.0005353100000000, -0.0011480300000000, 0.0031674800000000 ] - [ -0.0046204500000000, -0.0007581900000000, -0.0019930100000000 ] - [ -0.0008129800000000, 0.0011814600000000, 0.0016338300000000 ] - [ -0.0039471400000000, 0.0000000000000000, -0.0224388400000000 ] - [ 0.0000728300000000, 0.0000000000000000, 0.0029278200000000 ] - [ 0.0013264900000000, 0.0017400900000000, 0.0018823400000000 ] - [ 0.0007541300000000, -0.0135116100000000, -0.0003216700000000 ] - [ 0.0013264900000000, -0.0017400900000000, 0.0018823400000000 ] - [ 0.0007541300000000, 0.0135116100000000, -0.0003216700000000 ] - [ -0.0072501700000000, 0.0000000000000000, -0.0044171200000000 ] - [ -0.0002663200000000, 0.0000000000000000, 0.0023421000000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0110284700000000, 0.0030798000000000, 0.0019484700000000 ] - [ -0.0015249800000000, -0.0009001200000000, -0.0002646800000000 ] - [ 0.0014999500000000, 0.0008352600000000, -0.0008799700000000 ] - [ 0.0012471600000000, 0.0009250500000000, 0.0000593700000000 ] - [ -0.0012490400000000, 0.0010092800000000, 0.0000532400000000 ] - [ -0.0012466000000000, 0.0011316400000000, 0.0012189700000000 ] - [ 0.0020938400000000, -0.0008352800000000, -0.0001548900000000 ] - [ 0.0011673400000000, -0.0012142100000000, 0.0009375000000000 ] - [ -0.0014757300000000, 0.0005998500000000, -0.0011437500000000 ] - [ -0.0012579000000000, 0.0009525700000000, 0.0000336700000000 ] - [ 0.0012273200000000, 0.0009401500000000, -0.0001285900000000 ] - [ 0.0011563100000000, 0.0012104500000000, 0.0009496600000000 ] - [ -0.0081369400000000, 0.0093869900000000, -0.0105529700000000 ] - [ -0.0012581500000000, -0.0010890700000000, 0.0011635800000000 ] - [ 0.0019512700000000, -0.0008272200000000, -0.0010903500000000 ] - [ 0.0013605500000000, -0.0008809900000000, 0.0002638100000000 ] - [ 0.0003987900000000, -0.0000080600000000, 0.0004622900000000 ] - [ 0.0003316800000000, 0.0002063300000000, 0.0005607000000000 ] - [ 0.0006314500000000, -0.0004265600000000, -0.0005472100000000 ] - [ 0.0004868500000000, -0.0002713900000000, -0.0003919100000000 ] - [ -0.0005105600000000, 0.0007460800000000, -0.0010655400000000 ] - [ -0.0002055600000000, -0.0001323900000000, -0.0001928400000000 ] - [ 0.0002131500000000, 0.0000691000000000, 0.0005391200000000 ] - [ 0.0007772100000000, -0.0002559200000000, 0.0005591600000000 ] - [ 0.0016569200000000, 0.0038908000000000, -0.0065752800000000 ] - [ -0.0010272600000000, 0.0001922300000000, 0.0001985200000000 ] - [ 0.0000924400000000, 0.0006151200000000, 0.0009755900000000 ] - [ 0.0006568600000000, 0.0011707200000000, -0.0001885400000000 ] - [ 0.0007658400000000, 0.0010876000000000, 0.0022926800000000 ] - [ 0.0002927700000000, -0.0006087900000000, 0.0001768100000000 ] - [ 0.0028071100000000, 0.0000447500000000, -0.0003427900000000 ] - [ 0.0009977800000000, 0.0002693400000000, 0.0002096100000000 ] - [ -0.0666723400000000, 0.0670719700000000, -0.0213040200000000 ] - [ -0.0000461000000000, 0.0001711900000000, -0.0001657600000000 ] - [ 0.0096806400000000, -0.0051833700000000, 0.0055576500000000 ] - [ 0.0002174200000000, 0.0000330000000000, -0.0001125900000000 ] - [ 0.0009641900000000, -0.0042449400000000, 0.0015272800000000 ] - [ 0.0000111200000000, -0.0001618700000000, 0.0003530400000000 ] - [ 0.0002244300000000, 0.0010114000000000, 0.0006863400000000 ] - [ 0.0001145700000000, 0.0003811900000000, 0.0000049000000000 ] - [ -0.0031293900000000, -0.0000261800000000, 0.0016882300000000 ] - [ -0.0012247300000000, 0.0001195000000000, -0.0002876500000000 ] - [ 0.0014515900000000, -0.0005605500000000, 0.0004610800000000 ] - [ 0.0010010900000000, -0.0004125900000000, 0.0000887500000000 ] - [ 0.0012010200000000, -0.0061852500000000, 0.0033262400000000 ] - [ 0.0000275600000000, -0.0000222400000000, -0.0000752600000000 ] - [ 0.0046686500000000, -0.0002189500000000, 0.0020840500000000 ] - [ 0.0009219500000000, 0.0003199000000000, -0.0000854800000000 ] - [ -0.0013283300000000, -0.0004030800000000, 0.0004159400000000 ] - [ -0.0011839900000000, -0.0003470500000000, 0.0001120600000000 ] - [ 0.0006668000000000, -0.0018255400000000, 0.0010414900000000 ] - [ 0.0000386000000000, -0.0001529300000000, -0.0001082000000000 ] - [ -0.0015328200000000, 0.0020496100000000, 0.0029890600000000 ] - [ -0.0002184600000000, -0.0001661700000000, -0.0003557900000000 ] - [ 0.0014594700000000, 0.0017783500000000, -0.0012975400000000 ] - [ 0.0000235900000000, 0.0002907200000000, -0.0001807800000000 ] - [ 0.0200721800000000, -0.0306165800000000, 0.0162308800000000 ] - [ 0.0001645100000000, 0.0000057500000000, 0.0006114400000000 ] - [ 0.0005794900000000, -0.0003684600000000, -0.0000595100000000 ] - [ -0.0003290400000000, 0.0000236000000000, 0.0006451600000000 ] - [ -0.0027985000000000, -0.0018877700000000, -0.0014938000000000 ] - [ -0.0000442400000000, -0.0001295300000000, -0.0001299600000000 ] - [ 0.0026992700000000, 0.0005110100000000, -0.0003306700000000 ] - [ -0.0003802500000000, 0.0000185700000000, 0.0006988100000000 ] - [ -0.0008705900000000, -0.0005118800000000, -0.0002156600000000 ] - [ 0.0002303300000000, -0.0000200100000000, 0.0006459100000000 ] - [ 0.0007627500000000, -0.0012131000000000, -0.0010245200000000 ] - [ 0.0000254300000000, -0.0001740300000000, -0.0001367100000000 ] - [ -0.0031933000000000, 0.0001616800000000, 0.0013887900000000 ] - [ -0.0000477100000000, -0.0015006200000000, -0.0020021200000000 ] - [ 0.0577591100000000, -0.0451013500000000, 0.0090697200000000 ] - [ 0.0014770800000000, 0.0012332500000000, -0.0008816500000000 ] - [ -0.0045661600000000, -0.0007111900000000, 0.0014485100000000 ] - [ -0.0011632500000000, 0.0009191000000000, -0.0009026900000000 ] - [ -0.0022642400000000, -0.0000232200000000, 0.0009659000000000 ] - [ -0.0012119500000000, -0.0010964700000000, -0.0007856200000000 ] - [ 0.0022986000000000, -0.0002715100000000, 0.0012225900000000 ] - [ 0.0014137700000000, -0.0011662500000000, -0.0009008400000000 ] - [ -0.0022911200000000, -0.0018477300000000, -0.0000787800000000 ] - [ 0.0000227500000000, -0.0000206100000000, -0.0001361600000000 ] - [ -0.0003955900000000, 0.0008937600000000, 0.0011931800000000 ] - [ 0.0000501200000000, 0.0000990000000000, -0.0001249000000000 ] - [ -0.0005366000000000, 0.0009800600000000, 0.0012185800000000 ] - [ -0.0000933900000000, -0.0000422700000000, -0.0007090900000000 ] - [ -0.0000621700000000, -0.0002308600000000, 0.0001109600000000 ] - [ -0.0000805000000000, 0.0000244200000000, -0.0001915600000000 ] - [ 0.0023770000000000, -0.0010850800000000, -0.0002628300000000 ] - [ 0.0041576700000000, 0.0007091100000000, 0.0034124100000000 ] - [ -0.0021788100000000, 0.0006976600000000, -0.0002398500000000 ] - [ -0.0024426000000000, -0.0003398500000000, -0.0000131800000000 ] - [ 0.0019638600000000, 0.0015350900000000, -0.0003667300000000 ] - [ 0.0019791700000000, -0.0011088200000000, 0.0000302000000000 ] - [ -0.0023781200000000, 0.0000887400000000, -0.0002026400000000 ] - [ -0.0043834000000000, 0.0007084100000000, -0.0001454800000000 ] - [ 0.0120404400000000, 0.0013682100000000, 0.0029798100000000 ] - [ 0.0007700500000000, 0.0000471000000000, -0.0001751300000000 ] - [ 0.0000371400000000, 0.0024324500000000, -0.0007774600000000 ] - [ 0.0001315200000000, -0.0005573400000000, -0.0007475500000000 ] - [ -0.0102806300000000, 0.0029673000000000, -0.0123771900000000 ] - [ -0.0000138100000000, 0.0004432600000000, -0.0002684400000000 ] - [ -0.0083013300000000, 0.0001510500000000, -0.0013305600000000 ] - [ -0.0009328700000000, -0.0002232900000000, -0.0003080300000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0086555800000000, -0.0049261400000000, -0.0025888700000000 ] - [ -0.0008642400000000, -0.0010865700000000, -0.0004516100000000 ] - [ 0.0008872200000000, 0.0011529800000000, 0.0001606100000000 ] - [ 0.0011375200000000, 0.0010595000000000, -0.0007664300000000 ] - [ -0.0007374400000000, 0.0013785400000000, 0.0006595200000000 ] - [ -0.0007411500000000, 0.0012555700000000, -0.0004933300000000 ] - [ -0.0001095600000000, -0.0015568200000000, 0.0008723000000000 ] - [ 0.0008189600000000, -0.0011759900000000, -0.0002223200000000 ] - [ -0.0009149200000000, 0.0013909600000000, 0.0004167800000000 ] - [ -0.0011312500000000, 0.0010341000000000, -0.0007519200000000 ] - [ 0.0007577800000000, 0.0014476200000000, 0.0008398300000000 ] - [ 0.0008286800000000, 0.0011775300000000, -0.0002331300000000 ] - [ 0.0061908200000000, -0.0117305500000000, 0.0112344300000000 ] - [ -0.0007313200000000, -0.0013044500000000, -0.0004369800000000 ] - [ 0.0004379500000000, -0.0011637200000000, 0.0003688500000000 ] - [ 0.0010235300000000, -0.0011040800000000, -0.0009738200000000 ] - [ -0.0003805800000000, 0.0005951200000000, 0.0005254900000000 ] - [ -0.0003164400000000, 0.0003815200000000, 0.0004290600000000 ] - [ -0.0000438400000000, 0.0004320900000000, -0.0004401100000000 ] - [ 0.0001017800000000, 0.0002688400000000, -0.0005965900000000 ] - [ -0.0000802800000000, -0.0007329300000000, 0.0000666400000000 ] - [ -0.0003805600000000, 0.0001511700000000, -0.0007856400000000 ] - [ -0.0001885700000000, -0.0006631100000000, 0.0004523900000000 ] - [ -0.0007631100000000, -0.0003340500000000, 0.0004249700000000 ] - [ -0.0019556300000000, -0.0038619200000000, 0.0056090500000000 ] - [ 0.0007571500000000, -0.0001904600000000, -0.0011365800000000 ] - [ -0.0000928900000000, -0.0003464700000000, -0.0000307800000000 ] - [ -0.0006622800000000, -0.0009116000000000, 0.0011333200000000 ] - [ -0.0007646500000000, -0.0013505900000000, -0.0013448000000000 ] - [ -0.0002976600000000, 0.0003469500000000, 0.0007657700000000 ] - [ -0.0025453000000000, -0.0000416600000000, -0.0006032000000000 ] - [ -0.0007242900000000, -0.0002675100000000, -0.0011447200000000 ] - [ 0.0672715000000000, -0.0670042900000000, 0.0202996500000000 ] - [ 0.0001514100000000, 0.0005490700000000, -0.0007395300000000 ] - [ -0.0097332900000000, 0.0052542300000000, -0.0060875000000000 ] - [ -0.0002211800000000, -0.0000314000000000, -0.0003485500000000 ] - [ -0.0009602800000000, 0.0042227800000000, -0.0010601300000000 ] - [ -0.0000143700000000, 0.0001624600000000, 0.0001101300000000 ] - [ -0.0007897500000000, -0.0013331400000000, -0.0005135900000000 ] - [ -0.0006807100000000, -0.0006998000000000, 0.0001756500000000 ] - [ 0.0027836300000000, 0.0005894200000000, -0.0018497900000000 ] - [ 0.0008812700000000, 0.0004392100000000, 0.0001364900000000 ] - [ -0.0011232200000000, -0.0000029100000000, -0.0006258400000000 ] - [ -0.0006765300000000, -0.0001498300000000, -0.0002565900000000 ] - [ -0.0006656800000000, 0.0065048500000000, -0.0031465500000000 ] - [ 0.0005361600000000, 0.0003546600000000, 0.0002445300000000 ] - [ -0.0043177500000000, 0.0007729400000000, -0.0022387600000000 ] - [ -0.0006015700000000, 0.0002414400000000, -0.0000838400000000 ] - [ 0.0009906900000000, -0.0001608500000000, -0.0005802700000000 ] - [ 0.0008437900000000, -0.0002174100000000, -0.0002734300000000 ] - [ -0.0012333500000000, 0.0021576300000000, -0.0008763400000000 ] - [ -0.0006035300000000, 0.0004679200000000, 0.0002848200000000 ] - [ 0.0021201000000000, -0.0024020600000000, -0.0028355900000000 ] - [ 0.0007828200000000, -0.0001713200000000, 0.0005192700000000 ] - [ -0.0015682900000000, -0.0010496900000000, 0.0003776000000000 ] - [ -0.0001315700000000, 0.0004314700000000, -0.0007303600000000 ] - [ -0.0190267600000000, 0.0302469700000000, -0.0151177200000000 ] - [ 0.0005524800000000, 0.0001003600000000, 0.0002993900000000 ] - [ -0.0013028600000000, 0.0002635900000000, 0.0009664900000000 ] - [ -0.0003964300000000, -0.0001294400000000, 0.0002646900000000 ] - [ 0.0029117600000000, 0.0011258800000000, 0.0005733100000000 ] - [ 0.0001492200000000, -0.0005929500000000, -0.0007755300000000 ] - [ -0.0034181900000000, -0.0004061700000000, 0.0012399100000000 ] - [ -0.0003503400000000, 0.0000859000000000, 0.0002119200000000 ] - [ 0.0015843600000000, 0.0004052600000000, 0.0011172900000000 ] - [ 0.0004846100000000, -0.0000872800000000, 0.0002601100000000 ] - [ -0.0008698100000000, 0.0004865600000000, 0.0001056500000000 ] - [ -0.0001321300000000, -0.0005509200000000, -0.0007754100000000 ] - [ 0.0032181700000000, -0.0001635200000000, -0.0013936700000000 ] - [ 0.0000484600000000, 0.0014954300000000, 0.0019892800000000 ] - [ -0.0566146900000000, 0.0480332500000000, -0.0092286100000000 ] - [ 0.0004835000000000, 0.0007319000000000, 0.0008749400000000 ] - [ 0.0026066600000000, 0.0026804500000000, -0.0014442800000000 ] - [ -0.0007971700000000, 0.0010398600000000, 0.0008979200000000 ] - [ 0.0003003400000000, -0.0019432000000000, -0.0009616400000000 ] - [ -0.0007454000000000, -0.0008638000000000, 0.0007806600000000 ] - [ -0.0003262300000000, -0.0016885200000000, -0.0012118000000000 ] - [ 0.0005443000000000, -0.0007960700000000, 0.0008902800000000 ] - [ 0.0023038200000000, 0.0018471000000000, 0.0000828100000000 ] - [ -0.0000223500000000, 0.0000206500000000, 0.0001342200000000 ] - [ 0.0003992800000000, -0.0008937800000000, -0.0007401100000000 ] - [ -0.0000492000000000, -0.0000984800000000, 0.0005718800000000 ] - [ 0.0005012900000000, -0.0009627100000000, -0.0016446500000000 ] - [ 0.0000917000000000, 0.0000422900000000, 0.0002579000000000 ] - [ 0.0000520900000000, 0.0002272300000000, -0.0001095900000000 ] - [ 0.0000789300000000, -0.0000246500000000, 0.0001899600000000 ] - [ -0.0002606300000000, 0.0032536700000000, 0.0001561300000000 ] - [ -0.0020132900000000, 0.0014250000000000, -0.0033419300000000 ] - [ 0.0000434300000000, -0.0028410100000000, 0.0002421300000000 ] - [ 0.0003051600000000, -0.0017928000000000, 0.0000090800000000 ] - [ 0.0001608700000000, -0.0036643800000000, 0.0003731000000000 ] - [ 0.0001542600000000, -0.0010328500000000, -0.0000285300000000 ] - [ 0.0002364200000000, 0.0020546400000000, 0.0002082600000000 ] - [ 0.0022318300000000, 0.0014302700000000, 0.0001352300000000 ] - [ -0.0121249300000000, -0.0014860900000000, -0.0025751600000000 ] - [ -0.0009886500000000, -0.0000429300000000, 0.0004320400000000 ] - [ -0.0000353200000000, -0.0022078000000000, 0.0005098600000000 ] - [ -0.0001222400000000, 0.0007769200000000, 0.0004803100000000 ] - [ 0.0102470000000000, -0.0031541600000000, 0.0120661800000000 ] - [ 0.0000268600000000, -0.0006571400000000, -0.0000062200000000 ] - [ 0.0085253900000000, -0.0001614500000000, 0.0016168800000000 ] - [ 0.0011431000000000, 0.0002196800000000, 0.0005574100000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0016876900000000, 0.0339374900000000, 0.0285804100000000 ] - [ -0.0020554200000000, -0.0015569100000000, -0.0046740700000000 ] - [ 0.0009892000000000, 0.0016108300000000, 0.0007885900000000 ] - [ 0.0014721000000000, 0.0012206900000000, -0.0015847900000000 ] - [ -0.0017170100000000, 0.0044423300000000, 0.0053345100000000 ] - [ -0.0007081700000000, 0.0019557500000000, -0.0022175000000000 ] - [ 0.0010112100000000, -0.0020379700000000, 0.0014608500000000 ] - [ 0.0009237300000000, -0.0013314800000000, -0.0005560000000000 ] - [ -0.0012954000000000, 0.0064926700000000, -0.0009039700000000 ] - [ -0.0015039600000000, 0.0014292400000000, -0.0022562500000000 ] - [ 0.0011662600000000, 0.0020304300000000, 0.0018883900000000 ] - [ 0.0008699600000000, 0.0012073200000000, -0.0010460100000000 ] - [ 0.0031400000000000, 0.0247708300000000, -0.0319670700000000 ] - [ -0.0008750400000000, -0.0021843700000000, 0.0002222900000000 ] - [ 0.0009649300000000, -0.0016254600000000, 0.0010589200000000 ] - [ 0.0015110700000000, -0.0013628900000000, -0.0022150000000000 ] - [ -0.0021030300000000, 0.0018411700000000, 0.0004544500000000 ] - [ 0.0005398500000000, 0.0008796000000000, 0.0004671900000000 ] - [ 0.0003863500000000, 0.0020391100000000, -0.0004972000000000 ] - [ 0.0001780300000000, 0.0021850000000000, -0.0007180700000000 ] - [ -0.0003410100000000, 0.0077611800000000, -0.0028545000000000 ] - [ -0.0002303800000000, 0.0099476900000000, 0.0001429600000000 ] - [ 0.0034982700000000, -0.0010771600000000, 0.0025095400000000 ] - [ 0.0037260700000000, -0.0001911900000000, -0.0008360500000000 ] - [ 0.0115507400000000, 0.0010059200000000, -0.0088056400000000 ] - [ -0.0002627800000000, -0.0005409800000000, -0.0008387900000000 ] - [ 0.0002094000000000, 0.0005367000000000, 0.0011547000000000 ] - [ 0.0012837600000000, 0.0026190700000000, -0.0019129200000000 ] - [ -0.0004606800000000, -0.0036864100000000, -0.0004116200000000 ] - [ 0.0006308100000000, -0.0032519900000000, -0.0015209100000000 ] - [ 0.0005665900000000, -0.0002810400000000, -0.0010650900000000 ] - [ -0.0001954000000000, -0.0004841400000000, -0.0010552000000000 ] - [ 0.0649888400000000, -0.4124433500000000, 0.0981428300000000 ] - [ -0.0001379400000000, -0.0002183500000000, -0.0013614200000000 ] - [ -0.0185717700000000, 0.0019056900000000, -0.0047497600000000 ] - [ 0.0005068100000000, -0.0003575100000000, -0.0007546100000000 ] - [ -0.0011028900000000, 0.0059274100000000, -0.0006157000000000 ] - [ -0.0000078100000000, 0.0020375400000000, -0.0002725100000000 ] - [ -0.0007354900000000, -0.0042660000000000, -0.0015969700000000 ] - [ -0.0003311700000000, -0.0019594000000000, -0.0003626000000000 ] - [ -0.0015641900000000, 0.0005301600000000, -0.0013675100000000 ] - [ -0.0025311900000000, -0.0005100100000000, 0.0028170900000000 ] - [ -0.0000361200000000, 0.0003371000000000, -0.0001753900000000 ] - [ -0.0003825600000000, 0.0004320400000000, -0.0001148400000000 ] - [ -0.0007020100000000, 0.0278512700000000, -0.0128319700000000 ] - [ 0.0004915300000000, 0.0005187800000000, 0.0009788100000000 ] - [ -0.0038419600000000, 0.0006055100000000, -0.0023227600000000 ] - [ -0.0003627900000000, 0.0000471300000000, -0.0000351700000000 ] - [ -0.0003883400000000, 0.0003912000000000, 0.0001077600000000 ] - [ 0.0016567800000000, 0.0009755900000000, -0.0008248000000000 ] - [ -0.0014690100000000, 0.0036878300000000, -0.0014241400000000 ] - [ -0.0004432800000000, 0.0004499900000000, 0.0004038200000000 ] - [ -0.0001605700000000, -0.0158213700000000, -0.0059750800000000 ] - [ 0.0003092300000000, -0.0054979500000000, -0.0024412000000000 ] - [ -0.0014662500000000, -0.0032259400000000, 0.0018082000000000 ] - [ 0.0000186600000000, 0.0002843000000000, -0.0011176100000000 ] - [ -0.0225459200000000, 0.0195591600000000, -0.0131578200000000 ] - [ -0.0008084000000000, -0.0001408200000000, -0.0005660100000000 ] - [ -0.0013351900000000, 0.0008882800000000, 0.0016201400000000 ] - [ 0.0003997000000000, -0.0000195900000000, -0.0006545800000000 ] - [ 0.0015614400000000, 0.0266784500000000, 0.0036657400000000 ] - [ -0.0001804100000000, -0.0012807100000000, -0.0020521700000000 ] - [ -0.0037425200000000, -0.0011732500000000, 0.0020559400000000 ] - [ 0.0001944500000000, -0.0000738900000000, -0.0002539400000000 ] - [ 0.0037487200000000, 0.0030090000000000, 0.0031678000000000 ] - [ -0.0001983200000000, -0.0000688700000000, -0.0006898300000000 ] - [ -0.0009030500000000, 0.0015135200000000, 0.0008558800000000 ] - [ 0.0001376300000000, -0.0010927400000000, -0.0014832200000000 ] - [ -0.0067173000000000, 0.0016409200000000, 0.0055558800000000 ] - [ -0.0001359600000000, 0.0022308800000000, 0.0004435300000000 ] - [ -0.0472607300000000, 0.2896406200000000, -0.0530461500000000 ] - [ 0.0022223700000000, 0.0026774600000000, 0.0031160300000000 ] - [ 0.0012449000000000, 0.0051885400000000, -0.0031985200000000 ] - [ -0.0014038800000000, 0.0016341600000000, 0.0021262700000000 ] - [ -0.0001254400000000, -0.0035273500000000, -0.0023057500000000 ] - [ -0.0015543400000000, -0.0005184200000000, 0.0022058800000000 ] - [ -0.0020464100000000, -0.0138149600000000, -0.0066524300000000 ] - [ 0.0011824700000000, -0.0004370600000000, 0.0034469200000000 ] - [ -0.0021877200000000, 0.0009695500000000, -0.0019578100000000 ] - [ -0.0000126600000000, 0.0002433000000000, 0.0007826800000000 ] - [ 0.0010454400000000, -0.0016759800000000, -0.0009927800000000 ] - [ 0.0001255600000000, -0.0004273100000000, 0.0009256100000000 ] - [ 0.0014142200000000, 0.0009518600000000, -0.0026788000000000 ] - [ 0.0003129000000000, 0.0003874400000000, 0.0011056000000000 ] - [ -0.0016656600000000, -0.0021791800000000, -0.0004777400000000 ] - [ -0.0001311600000000, -0.0004286800000000, 0.0005591200000000 ] - [ -0.0021502900000000, 0.0113047600000000, -0.0238187000000000 ] - [ 0.0012602700000000, 0.0004389900000000, 0.0215793800000000 ] - [ 0.0007962600000000, -0.0056834100000000, 0.0006465600000000 ] - [ -0.0010561000000000, -0.0031049300000000, -0.0001155000000000 ] - [ 0.0013597600000000, -0.0194399700000000, 0.0046678100000000 ] - [ 0.0006557200000000, -0.0072661000000000, -0.0011215800000000 ] - [ -0.0028051000000000, 0.0031417800000000, -0.0008704200000000 ] - [ -0.0018064800000000, 0.0012609500000000, 0.0008118800000000 ] - [ 0.0004840200000000, 0.0011884900000000, -0.0023412600000000 ] - [ -0.0001025800000000, 0.0035583600000000, 0.0025042000000000 ] - [ -0.0007718400000000, -0.0053173400000000, -0.0023210200000000 ] - [ -0.0009227900000000, -0.0033708900000000, 0.0027244400000000 ] - [ 0.0135256200000000, -0.0013746900000000, 0.0105466900000000 ] - [ 0.0020136600000000, 0.0011511400000000, 0.0000453000000000 ] - [ 0.0105385600000000, 0.0017408900000000, 0.0019410600000000 ] - [ 0.0000523100000000, 0.0014349500000000, 0.0016150700000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0041201400000000, -0.0366602600000000, -0.0297305600000000 ] - [ -0.0003306200000000, -0.0004312600000000, 0.0039605400000000 ] - [ 0.0013938600000000, 0.0003746800000000, -0.0014897900000000 ] - [ 0.0009148100000000, 0.0007656400000000, 0.0008695100000000 ] - [ -0.0002707300000000, -0.0020469000000000, -0.0045953600000000 ] - [ -0.0012772400000000, 0.0004236500000000, 0.0029177800000000 ] - [ 0.0009784300000000, -0.0003463100000000, -0.0007503700000000 ] - [ 0.0010625600000000, -0.0010550200000000, 0.0012595800000000 ] - [ -0.0010886300000000, -0.0044758100000000, 0.0001919300000000 ] - [ -0.0008847300000000, 0.0005586100000000, 0.0015312200000000 ] - [ 0.0008204900000000, 0.0003558800000000, -0.0011740000000000 ] - [ 0.0011154200000000, 0.0011787100000000, 0.0017512200000000 ] - [ -0.0052279100000000, -0.0274712700000000, 0.0330814600000000 ] - [ -0.0011112700000000, -0.0001954300000000, 0.0004704100000000 ] - [ 0.0014209100000000, -0.0003583600000000, -0.0017541200000000 ] - [ 0.0008740200000000, -0.0006226600000000, 0.0014948600000000 ] - [ 0.0020807300000000, -0.0012493500000000, 0.0005339300000000 ] - [ -0.0005333800000000, -0.0002921400000000, 0.0005212300000000 ] - [ 0.0001987800000000, -0.0020267200000000, -0.0004917100000000 ] - [ 0.0004069800000000, -0.0021788600000000, -0.0002704800000000 ] - [ -0.0002449000000000, -0.0077672200000000, 0.0018650800000000 ] - [ -0.0003594800000000, -0.0099559800000000, -0.0011488000000000 ] - [ -0.0035228900000000, 0.0004934500000000, -0.0015213700000000 ] - [ -0.0037320500000000, -0.0003937500000000, 0.0018194300000000 ] - [ -0.0117185600000000, -0.0010571200000000, 0.0078604000000000 ] - [ 0.0000057500000000, 0.0005404700000000, -0.0001115000000000 ] - [ -0.0002112500000000, -0.0002878200000000, -0.0002153500000000 ] - [ -0.0012816400000000, -0.0023646700000000, 0.0028560500000000 ] - [ 0.0004515300000000, 0.0034381700000000, 0.0013427700000000 ] - [ -0.0006305600000000, 0.0029958300000000, 0.0024625400000000 ] - [ -0.0003102200000000, 0.0002824500000000, 0.0001299900000000 ] - [ 0.0004579400000000, 0.0004840700000000, 0.0001104800000000 ] - [ -0.0692151700000000, 0.4345387000000000, -0.1028304400000000 ] - [ 0.0002434100000000, 0.0009511500000000, 0.0004471800000000 ] - [ 0.0184345300000000, -0.0019440300000000, 0.0042943200000000 ] - [ -0.0005120500000000, 0.0003589000000000, 0.0002878200000000 ] - [ 0.0011002400000000, -0.0059098100000000, 0.0010736100000000 ] - [ 0.0000084600000000, -0.0020310700000000, 0.0007302700000000 ] - [ 0.0001689700000000, 0.0039537600000000, 0.0017764000000000 ] - [ -0.0002324600000000, 0.0016451900000000, 0.0005344500000000 ] - [ 0.0012522000000000, 0.0000364100000000, 0.0011896400000000 ] - [ 0.0022270200000000, 0.0010789800000000, -0.0029827600000000 ] - [ 0.0003536300000000, -0.0008981000000000, 0.0000059600000000 ] - [ 0.0007047000000000, -0.0009921600000000, -0.0000504000000000 ] - [ 0.0012578600000000, -0.0273215000000000, 0.0129634500000000 ] - [ 0.0000708900000000, -0.0002034500000000, -0.0008154100000000 ] - [ 0.0041604200000000, -0.0000420600000000, 0.0021521800000000 ] - [ 0.0006826600000000, 0.0005152600000000, -0.0001293600000000 ] - [ 0.0000685800000000, -0.0009547400000000, -0.0002782900000000 ] - [ -0.0019634200000000, -0.0015346600000000, 0.0006521100000000 ] - [ 0.0009001400000000, -0.0033698200000000, 0.0015985200000000 ] - [ -0.0001187500000000, -0.0001416700000000, -0.0002331400000000 ] - [ 0.0007445500000000, 0.0154562900000000, 0.0062312400000000 ] - [ 0.0002546100000000, 0.0051909200000000, 0.0025891100000000 ] - [ 0.0013597100000000, 0.0039467800000000, -0.0027073700000000 ] - [ -0.0001242900000000, 0.0004444200000000, 0.0002002900000000 ] - [ 0.0234779600000000, -0.0195387700000000, 0.0141500700000000 ] - [ 0.0015261200000000, 0.0002510100000000, 0.0014678300000000 ] - [ 0.0006082400000000, -0.0009942000000000, -0.0007093500000000 ] - [ -0.0011163200000000, -0.0000877900000000, 0.0015534700000000 ] - [ -0.0014506900000000, -0.0269474400000000, -0.0045316900000000 ] - [ 0.0002853800000000, 0.0005482200000000, 0.0011361600000000 ] - [ 0.0030130300000000, 0.0012823600000000, -0.0011429300000000 ] - [ -0.0009164700000000, 0.0001820000000000, 0.0011535800000000 ] - [ -0.0030070600000000, -0.0031074400000000, -0.0022476200000000 ] - [ 0.0009130500000000, -0.0000396100000000, 0.0015868000000000 ] - [ 0.0007955600000000, -0.0022400100000000, -0.0017614500000000 ] - [ -0.0002418000000000, 0.0003614700000000, 0.0005643200000000 ] - [ 0.0067108900000000, -0.0016364800000000, -0.0055639000000000 ] - [ 0.0001435000000000, -0.0022180000000000, -0.0004301400000000 ] - [ 0.0537798400000000, -0.3091373100000000, 0.0579005100000000 ] - [ -0.0002704200000000, -0.0007294600000000, -0.0030997600000000 ] - [ -0.0032011600000000, -0.0032333500000000, 0.0031824800000000 ] - [ -0.0005619200000000, 0.0003193000000000, -0.0021129200000000 ] - [ -0.0018284800000000, 0.0015729500000000, 0.0022940700000000 ] - [ -0.0004083900000000, -0.0014329700000000, -0.0021941700000000 ] - [ 0.0039877400000000, 0.0118730800000000, 0.0066149600000000 ] - [ 0.0007714000000000, -0.0015129500000000, -0.0034314700000000 ] - [ 0.0022275300000000, -0.0009401200000000, 0.0019523600000000 ] - [ 0.0000128700000000, -0.0002419900000000, -0.0007789200000000 ] - [ -0.0010451800000000, 0.0016720600000000, 0.0014357200000000 ] - [ -0.0001252900000000, 0.0004278600000000, -0.0004729400000000 ] - [ -0.0014650500000000, -0.0009083200000000, 0.0022536600000000 ] - [ -0.0003118200000000, -0.0003834600000000, -0.0015518600000000 ] - [ 0.0016674600000000, 0.0021740600000000, 0.0004725600000000 ] - [ 0.0001333200000000, 0.0004291300000000, -0.0005556200000000 ] - [ 0.0042966200000000, -0.0092812800000000, 0.0239344900000000 ] - [ 0.0008545700000000, 0.0016677100000000, -0.0215935000000000 ] - [ -0.0029041500000000, 0.0035442700000000, -0.0006461800000000 ] - [ -0.0010702800000000, 0.0009764100000000, 0.0001193200000000 ] - [ 0.0007744700000000, 0.0172844300000000, -0.0046525900000000 ] - [ 0.0014757200000000, 0.0051498000000000, 0.0011159000000000 ] - [ 0.0006840800000000, -0.0010110700000000, 0.0008627100000000 ] - [ -0.0003173200000000, 0.0008670100000000, -0.0007982100000000 ] - [ -0.0009533100000000, -0.0005672200000000, 0.0013075400000000 ] - [ -0.0001196100000000, -0.0035415600000000, -0.0022143900000000 ] - [ 0.0007627300000000, 0.0055353000000000, 0.0020537100000000 ] - [ 0.0009100700000000, 0.0035933200000000, -0.0029679500000000 ] - [ -0.0135049300000000, 0.0011344200000000, -0.0107880100000000 ] - [ -0.0020172500000000, -0.0013757000000000, -0.0003044000000000 ] - [ -0.0102881000000000, -0.0017338100000000, -0.0016942600000000 ] - [ 0.0001603900000000, -0.0014342200000000, -0.0013443300000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003055500000000, 0.0127944300000000, -0.0050624500000000 ] - [ -0.0002616100000000, -0.0007065700000000, 0.0053373900000000 ] - [ 0.0016284100000000, 0.0009287800000000, -0.0022696600000000 ] - [ 0.0008130500000000, 0.0008283900000000, 0.0014398200000000 ] - [ -0.0005182800000000, 0.0001155200000000, -0.0027907300000000 ] - [ -0.0016055100000000, 0.0010471200000000, 0.0043305100000000 ] - [ 0.0006650200000000, -0.0008116700000000, -0.0011292300000000 ] - [ 0.0012158400000000, -0.0014073500000000, 0.0021655300000000 ] - [ -0.0018616800000000, 0.0002705100000000, -0.0037352300000000 ] - [ -0.0007342000000000, 0.0006875000000000, 0.0027476900000000 ] - [ 0.0007916600000000, 0.0007693200000000, -0.0012300400000000 ] - [ 0.0011773500000000, 0.0014223700000000, 0.0020465200000000 ] - [ -0.0071650100000000, -0.0356923700000000, 0.0254014300000000 ] - [ -0.0017203500000000, -0.0009001900000000, 0.0049787700000000 ] - [ 0.0018535700000000, -0.0010357200000000, -0.0029516400000000 ] - [ 0.0006600000000000, -0.0006899600000000, 0.0021316600000000 ] - [ 0.0029607000000000, -0.0004231300000000, 0.0002634300000000 ] - [ -0.0010557000000000, -0.0000216900000000, 0.0007368500000000 ] - [ 0.0001323200000000, -0.0014107500000000, -0.0004960000000000 ] - [ 0.0007232600000000, -0.0004968600000000, -0.0003073900000000 ] - [ -0.0002117300000000, -0.0070783200000000, 0.0020353100000000 ] - [ -0.0000353300000000, 0.0001239600000000, 0.0006897500000000 ] - [ 0.0028001400000000, 0.0001657900000000, 0.0001744000000000 ] - [ -0.0038783100000000, -0.0005517700000000, 0.0018314200000000 ] - [ -0.0101237300000000, -0.0031447100000000, 0.0046253600000000 ] - [ 0.0002122600000000, 0.0004696900000000, 0.0005321900000000 ] - [ 0.0003231900000000, 0.0006554600000000, 0.0002616600000000 ] - [ -0.0011919200000000, -0.0015490800000000, 0.0023785200000000 ] - [ 0.0012691200000000, 0.0009477400000000, 0.0013998600000000 ] - [ -0.0007443500000000, 0.0011820300000000, 0.0018948800000000 ] - [ -0.0005028200000000, 0.0000788500000000, -0.0009115000000000 ] - [ 0.0006126900000000, 0.0003406700000000, 0.0003926600000000 ] - [ -0.0204276600000000, 0.0997752000000000, -0.1162521500000000 ] - [ 0.0003398000000000, -0.0005428200000000, 0.0020163000000000 ] - [ 0.0125550600000000, -0.0021714500000000, -0.0006238200000000 ] - [ -0.0011550600000000, 0.0002998800000000, 0.0008198800000000 ] - [ 0.0007779800000000, -0.0037203000000000, 0.0004767100000000 ] - [ -0.0002599800000000, -0.0004911400000000, 0.0010095900000000 ] - [ 0.0002365300000000, 0.0009969000000000, 0.0005698900000000 ] - [ -0.0005660900000000, 0.0009552500000000, 0.0008396600000000 ] - [ 0.0018419000000000, -0.0002295400000000, 0.0006435700000000 ] - [ -0.0024007400000000, 0.0007203300000000, 0.0005328000000000 ] - [ 0.0006095700000000, -0.0005228200000000, 0.0002270100000000 ] - [ 0.0004333500000000, -0.0006215600000000, -0.0002119100000000 ] - [ 0.0012036600000000, -0.0221087100000000, 0.0124016700000000 ] - [ 0.0001994900000000, 0.0003667100000000, 0.0005428200000000 ] - [ 0.0023684900000000, -0.0001045300000000, 0.0012748400000000 ] - [ 0.0003984100000000, 0.0004663300000000, -0.0003004400000000 ] - [ 0.0003497400000000, -0.0005972300000000, -0.0001525500000000 ] - [ -0.0024381800000000, -0.0008847600000000, 0.0006528300000000 ] - [ 0.0005704400000000, -0.0012604700000000, 0.0007174800000000 ] - [ -0.0004447500000000, 0.0000694100000000, 0.0003249000000000 ] - [ 0.0026352300000000, 0.0082040600000000, 0.0116585000000000 ] - [ 0.0003266500000000, 0.0035463800000000, 0.0047946500000000 ] - [ 0.0007799100000000, 0.0026086100000000, -0.0028894600000000 ] - [ -0.0003281000000000, -0.0002972300000000, 0.0008454200000000 ] - [ 0.0139539000000000, -0.0155552000000000, -0.0018108200000000 ] - [ 0.0013752600000000, -0.0001038500000000, 0.0023316000000000 ] - [ 0.0007983400000000, -0.0005622200000000, -0.0008882300000000 ] - [ -0.0014602800000000, 0.0001377300000000, 0.0018919300000000 ] - [ -0.0009723700000000, -0.0044391000000000, -0.0072894600000000 ] - [ 0.0003752000000000, 0.0012286800000000, 0.0020964800000000 ] - [ 0.0023319000000000, 0.0007158600000000, -0.0013680400000000 ] - [ -0.0014974800000000, -0.0001405500000000, 0.0019848100000000 ] - [ -0.0012293000000000, -0.0008306300000000, -0.0013686800000000 ] - [ 0.0010615700000000, 0.0001909000000000, 0.0019826300000000 ] - [ 0.0005087200000000, -0.0016660300000000, -0.0022409100000000 ] - [ -0.0003715500000000, 0.0006576000000000, 0.0009537500000000 ] - [ 0.0058552700000000, -0.0008359200000000, -0.0035978200000000 ] - [ -0.0010224900000000, -0.0017744800000000, -0.0014266900000000 ] - [ 0.0088910800000000, -0.0327089800000000, 0.0558181900000000 ] - [ 0.0007078200000000, 0.0010214500000000, -0.0065696400000000 ] - [ -0.0027347500000000, -0.0008663600000000, 0.0042182400000000 ] - [ -0.0001071800000000, 0.0011726100000000, -0.0033740600000000 ] - [ -0.0019591600000000, 0.0001761200000000, 0.0029930800000000 ] - [ -0.0001142500000000, -0.0017345000000000, -0.0029085900000000 ] - [ 0.0024567700000000, 0.0011016500000000, 0.0054393000000000 ] - [ 0.0009845300000000, -0.0021493800000000, -0.0053098500000000 ] - [ -0.0008701800000000, -0.0010337100000000, 0.0024358500000000 ] - [ 0.0000257300000000, -0.0000955600000000, -0.0010633400000000 ] - [ -0.0001378300000000, 0.0007162600000000, 0.0016064400000000 ] - [ -0.0001073000000000, 0.0002400500000000, -0.0007137800000000 ] - [ 0.0019644900000000, -0.0016747900000000, 0.0007896800000000 ] - [ -0.0005687700000000, -0.0000659100000000, -0.0017058800000000 ] - [ 0.0004932000000000, 0.0009838000000000, 0.0015587100000000 ] - [ -0.0000731500000000, 0.0001763500000000, -0.0009989700000000 ] - [ 0.0009016300000000, -0.0079651100000000, -0.0021446600000000 ] - [ 0.0004066800000000, 0.0049872800000000, -0.0213898800000000 ] - [ -0.0033462700000000, 0.0006777500000000, -0.0000753300000000 ] - [ -0.0006673800000000, -0.0001607100000000, -0.0003811800000000 ] - [ 0.0008369400000000, 0.0089163800000000, -0.0010221700000000 ] - [ 0.0014128900000000, 0.0028423800000000, -0.0010148900000000 ] - [ -0.0033249300000000, 0.0001908900000000, 0.0004392200000000 ] - [ 0.0006910900000000, 0.0014827700000000, -0.0010985400000000 ] - [ 0.0031424000000000, -0.0056649600000000, 0.0335435600000000 ] - [ -0.0000048000000000, -0.0035782400000000, -0.0062767000000000 ] - [ -0.0004712800000000, 0.0024467200000000, 0.0015472800000000 ] - [ 0.0015052600000000, 0.0016918200000000, -0.0032016800000000 ] - [ -0.0088522500000000, 0.0027212400000000, -0.0051142000000000 ] - [ 0.0014124700000000, -0.0006714200000000, -0.0031033800000000 ] - [ -0.0065630800000000, -0.0006752700000000, 0.0016080700000000 ] - [ 0.0008347800000000, -0.0008879200000000, -0.0026114200000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0020674400000000, -0.0145392700000000, 0.0046647300000000 ] - [ -0.0021284700000000, -0.0012881800000000, -0.0060804300000000 ] - [ 0.0007540100000000, 0.0010603100000000, 0.0015721100000000 ] - [ 0.0015743400000000, 0.0011585300000000, -0.0021615600000000 ] - [ -0.0014695600000000, 0.0022846400000000, 0.0035240100000000 ] - [ -0.0003763500000000, 0.0013511200000000, -0.0036429000000000 ] - [ 0.0013190300000000, -0.0015794300000000, 0.0018440700000000 ] - [ 0.0007690400000000, -0.0009824400000000, -0.0014593200000000 ] - [ -0.0005184700000000, 0.0017402200000000, 0.0030455100000000 ] - [ -0.0016552000000000, 0.0013021400000000, -0.0034848900000000 ] - [ 0.0011945300000000, 0.0016213300000000, 0.0019496300000000 ] - [ 0.0008068100000000, 0.0009643200000000, -0.0013431000000000 ] - [ 0.0050191600000000, 0.0329789300000000, -0.0246634100000000 ] - [ -0.0002611900000000, -0.0015106200000000, -0.0042801800000000 ] - [ 0.0005308400000000, -0.0009538400000000, 0.0022596200000000 ] - [ 0.0017251300000000, -0.0012984100000000, -0.0028619900000000 ] - [ -0.0029869500000000, 0.0010242100000000, 0.0007276900000000 ] - [ 0.0010622500000000, 0.0006118000000000, 0.0002502000000000 ] - [ 0.0004513000000000, 0.0014340600000000, -0.0004931900000000 ] - [ -0.0001387500000000, 0.0005119300000000, -0.0006812200000000 ] - [ -0.0003725000000000, 0.0070883500000000, -0.0030308600000000 ] - [ -0.0005489700000000, -0.0000839700000000, -0.0016653300000000 ] - [ -0.0027849500000000, -0.0007658400000000, 0.0008431400000000 ] - [ 0.0038856200000000, -0.0000341100000000, -0.0008563900000000 ] - [ 0.0100375100000000, 0.0031858300000000, -0.0056264100000000 ] - [ -0.0004635200000000, -0.0004718300000000, -0.0014830900000000 ] - [ -0.0003227100000000, -0.0003977400000000, 0.0006790400000000 ] - [ 0.0012062800000000, 0.0018241400000000, -0.0014552900000000 ] - [ -0.0012733300000000, -0.0012341700000000, -0.0004764000000000 ] - [ 0.0007502300000000, -0.0014591100000000, -0.0009654600000000 ] - [ 0.0007753000000000, -0.0000798900000000, -0.0000225000000000 ] - [ -0.0003529400000000, -0.0003438000000000, -0.0013406100000000 ] - [ 0.0211853100000000, -0.1010727100000000, 0.1176359200000000 ] - [ -0.0002321700000000, 0.0012661400000000, -0.0029346500000000 ] - [ -0.0127113800000000, 0.0021760000000000, 0.0001957900000000 ] - [ 0.0011432400000000, -0.0002998400000000, -0.0012896600000000 ] - [ -0.0007879700000000, 0.0037746800000000, -0.0000264500000000 ] - [ 0.0002609300000000, 0.0005094000000000, -0.0005518300000000 ] - [ -0.0008064300000000, -0.0013276400000000, -0.0003965600000000 ] - [ -0.0000007500000000, -0.0012831800000000, -0.0006683700000000 ] - [ -0.0021473500000000, 0.0007950500000000, -0.0008364700000000 ] - [ 0.0020670400000000, -0.0001691200000000, -0.0006611700000000 ] - [ -0.0003008500000000, -0.0000350400000000, -0.0004009600000000 ] - [ -0.0001099100000000, 0.0000649600000000, 0.0000481100000000 ] - [ -0.0006506800000000, 0.0227652000000000, -0.0124739600000000 ] - [ 0.0003644800000000, -0.0000397400000000, -0.0003751300000000 ] - [ -0.0020950400000000, 0.0006707900000000, -0.0014699300000000 ] - [ -0.0000794000000000, 0.0000932600000000, 0.0001369500000000 ] - [ -0.0006638900000000, 0.0000371300000000, -0.0000218000000000 ] - [ 0.0021340100000000, 0.0003342500000000, -0.0008247200000000 ] - [ -0.0011444300000000, 0.0015876900000000, -0.0005469900000000 ] - [ -0.0001203600000000, 0.0002430600000000, -0.0001509700000000 ] - [ -0.0021427300000000, -0.0087942300000000, -0.0118906100000000 ] - [ 0.0002368500000000, -0.0038916200000000, -0.0046404300000000 ] - [ -0.0008970800000000, -0.0019055200000000, 0.0019974400000000 ] - [ 0.0002200000000000, 0.0010205300000000, -0.0017646200000000 ] - [ -0.0133553400000000, 0.0157970700000000, 0.0024769800000000 ] - [ -0.0006582600000000, 0.0002102700000000, -0.0014303500000000 ] - [ -0.0015318800000000, 0.0004607400000000, 0.0018041700000000 ] - [ 0.0007473500000000, -0.0002450300000000, -0.0009972300000000 ] - [ 0.0010973500000000, 0.0037569900000000, 0.0064481100000000 ] - [ -0.0002688000000000, -0.0019613000000000, -0.0030186900000000 ] - [ -0.0030846100000000, -0.0006142300000000, 0.0022887000000000 ] - [ 0.0007775600000000, 0.0002467200000000, -0.0010854700000000 ] - [ 0.0019684600000000, 0.0007352400000000, 0.0022868100000000 ] - [ -0.0003461200000000, -0.0002992400000000, -0.0010887400000000 ] - [ -0.0006230000000000, 0.0009493100000000, 0.0013399500000000 ] - [ 0.0002657500000000, -0.0013899100000000, -0.0018766200000000 ] - [ -0.0059232600000000, 0.0008547900000000, 0.0036392900000000 ] - [ 0.0010192100000000, 0.0017943700000000, 0.0014436000000000 ] - [ -0.0069140900000000, 0.0349213600000000, -0.0562706800000000 ] - [ 0.0012439500000000, 0.0009470600000000, 0.0066070100000000 ] - [ 0.0007986000000000, 0.0028491800000000, -0.0042452700000000 ] - [ -0.0018595800000000, 0.0007894500000000, 0.0033942900000000 ] - [ 0.0000097100000000, -0.0021474300000000, -0.0030131000000000 ] - [ -0.0018518700000000, -0.0002196100000000, 0.0029289500000000 ] - [ -0.0005197000000000, -0.0031013700000000, -0.0054715500000000 ] - [ 0.0009657200000000, 0.0001949500000000, 0.0053440600000000 ] - [ 0.0008859800000000, 0.0010552100000000, -0.0024488400000000 ] - [ -0.0000272200000000, 0.0000976500000000, 0.0010712500000000 ] - [ 0.0001505300000000, -0.0007330000000000, -0.0011711000000000 ] - [ 0.0001075800000000, -0.0002427000000000, 0.0011704200000000 ] - [ -0.0019976900000000, 0.0017041400000000, -0.0012234900000000 ] - [ 0.0005795600000000, 0.0000664500000000, 0.0012708100000000 ] - [ -0.0005096700000000, -0.0010045500000000, -0.0015588100000000 ] - [ 0.0000756600000000, -0.0001788500000000, 0.0010046000000000 ] - [ 0.0011853800000000, 0.0103339200000000, 0.0018126300000000 ] - [ 0.0017076700000000, -0.0028448700000000, 0.0214863400000000 ] - [ 0.0012403700000000, -0.0028401600000000, 0.0000745700000000 ] - [ -0.0014534200000000, -0.0019849500000000, 0.0003885000000000 ] - [ 0.0012951500000000, -0.0112411100000000, 0.0010351300000000 ] - [ 0.0007152900000000, -0.0049895000000000, 0.0010203400000000 ] - [ 0.0011865600000000, 0.0019554300000000, -0.0004571600000000 ] - [ -0.0028041700000000, 0.0006520600000000, 0.0011183200000000 ] - [ -0.0036906800000000, 0.0071124800000000, -0.0345502500000000 ] - [ -0.0002147700000000, 0.0035921000000000, 0.0065643500000000 ] - [ 0.0004662800000000, -0.0022674700000000, -0.0018081300000000 ] - [ -0.0015229600000000, -0.0015016500000000, 0.0029658600000000 ] - [ 0.0089801100000000, -0.0029575700000000, 0.0049860400000000 ] - [ -0.0014039200000000, 0.0004626000000000, 0.0028339500000000 ] - [ 0.0068435900000000, 0.0006905400000000, -0.0013535900000000 ] - [ -0.0006138300000000, 0.0008957000000000, 0.0028898700000000 ]- atom: 35 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0014644400000000, -0.0050668800000000, -0.0009417800000000 ] - [ -0.0009720800000000, -0.0011891600000000, -0.0012252500000000 ] - [ 0.0009348700000000, -0.0030837500000000, 0.0002625200000000 ] - [ 0.0014238700000000, 0.0008011300000000, 0.0004929800000000 ] - [ -0.0019298500000000, 0.0044709700000000, 0.0057502400000000 ] - [ -0.0004090600000000, 0.0021954400000000, -0.0037564700000000 ] - [ 0.0000757100000000, 0.0020805700000000, -0.0050339600000000 ] - [ 0.0015887800000000, -0.0001926600000000, 0.0044518600000000 ] - [ -0.0014644400000000, 0.0050668800000000, -0.0009417800000000 ] - [ -0.0009720800000000, 0.0011891600000000, -0.0012252500000000 ] - [ 0.0000757100000000, -0.0020805700000000, -0.0050339600000000 ] - [ 0.0015887800000000, 0.0001926600000000, 0.0044518600000000 ] - [ -0.0019298500000000, -0.0044709700000000, 0.0057502400000000 ] - [ -0.0004090600000000, -0.0021954400000000, -0.0037564700000000 ] - [ 0.0009348700000000, 0.0030837500000000, 0.0002625200000000 ] - [ 0.0014238700000000, -0.0008011300000000, 0.0004929800000000 ] - [ -0.0222446100000000, 0.0002830800000000, 0.0005051600000000 ] - [ -0.0031849400000000, 0.0002934000000000, 0.0004913500000000 ] - [ 0.0001277700000000, 0.0000000000000000, -0.0012944400000000 ] - [ -0.0018581400000000, 0.0000000000000000, 0.0010127200000000 ] - [ -0.0004623400000000, 0.0000000000000000, 0.0003036800000000 ] - [ -0.0024547200000000, 0.0000000000000000, -0.0020105400000000 ] - [ -0.0222446100000000, -0.0002830800000000, 0.0005051600000000 ] - [ -0.0031849400000000, -0.0002934000000000, 0.0004913500000000 ] - [ 0.0514868100000000, 0.0000000000000000, -0.0145288000000000 ] - [ 0.0007520800000000, 0.0000000000000000, -0.0007208600000000 ] - [ 0.0010577300000000, 0.0001324400000000, 0.0004735500000000 ] - [ 0.0063759800000000, 0.0001513400000000, 0.0004459200000000 ] - [ 0.0010577300000000, -0.0001324400000000, 0.0004735500000000 ] - [ 0.0063759800000000, -0.0001513400000000, 0.0004459200000000 ] - [ 0.0512875900000000, 0.0000000000000000, 0.0135185000000000 ] - [ 0.0010243900000000, 0.0000000000000000, -0.0002220500000000 ] - [ 0.0097416300000000, -0.0181973700000000, 0.0122373000000000 ] - [ 0.0002645700000000, 0.0008804100000000, -0.0016076100000000 ] - [ -0.1761759300000000, 0.0000000000000000, 0.0008167900000000 ] - [ -0.0024910900000000, 0.0000000000000000, -0.0002324100000000 ] - [ 0.0013451900000000, 0.0000000000000000, 0.0002327300000000 ] - [ 0.0023069000000000, 0.0000000000000000, 0.0002256600000000 ] - [ 0.0075848700000000, 0.0423433700000000, 0.0230111700000000 ] - [ -0.0004852900000000, -0.0003945800000000, -0.0005418000000000 ] - [ 0.0018635100000000, 0.0002969600000000, -0.0006868600000000 ] - [ 0.0081652600000000, -0.0015947200000000, -0.0039049300000000 ] - [ 0.0021919600000000, -0.0002653100000000, 0.0005178200000000 ] - [ 0.0084787300000000, -0.0021507100000000, 0.0037394000000000 ] - [ 0.0079794000000000, 0.0429715400000000, -0.0230580500000000 ] - [ 0.0000674700000000, -0.0000845000000000, 0.0006980300000000 ] - [ 0.0021919600000000, 0.0002653100000000, 0.0005178200000000 ] - [ 0.0084787300000000, 0.0021507100000000, 0.0037394000000000 ] - [ 0.0018635100000000, -0.0002969600000000, -0.0006868600000000 ] - [ 0.0081652600000000, 0.0015947200000000, -0.0039049300000000 ] - [ 0.0075848700000000, -0.0423433700000000, 0.0230111700000000 ] - [ -0.0004852900000000, 0.0003945800000000, -0.0005418000000000 ] - [ 0.0079794000000000, -0.0429715400000000, -0.0230580500000000 ] - [ 0.0000674700000000, 0.0000845000000000, 0.0006980300000000 ] - [ 0.0096714100000000, 0.0188136200000000, -0.0130285900000000 ] - [ 0.0001727500000000, -0.0001398200000000, 0.0006867700000000 ] - [ 0.0062766500000000, -0.0041824100000000, 0.0042027200000000 ] - [ 0.0023829900000000, -0.0001088400000000, 0.0009430200000000 ] - [ 0.0055571200000000, -0.0042824100000000, -0.0032888000000000 ] - [ 0.0016816600000000, -0.0002148600000000, -0.0000557300000000 ] - [ 0.0097416300000000, 0.0181973700000000, 0.0122373000000000 ] - [ 0.0002645700000000, -0.0008804100000000, -0.0016076100000000 ] - [ 0.0055571200000000, 0.0042824100000000, -0.0032888000000000 ] - [ 0.0016816600000000, 0.0002148600000000, -0.0000557300000000 ] - [ 0.0062766500000000, 0.0041824100000000, 0.0042027200000000 ] - [ 0.0023829900000000, 0.0001088400000000, 0.0009430200000000 ] - [ 0.0096714100000000, -0.0188136200000000, -0.0130285900000000 ] - [ 0.0001727500000000, 0.0001398200000000, 0.0006867700000000 ] - [ -0.0351459000000000, 0.0000000000000000, 0.0000489600000000 ] - [ -0.0016219100000000, 0.0000000000000000, -0.0000029900000000 ] - [ -0.0022029500000000, 0.0200677000000000, -0.0069188500000000 ] - [ -0.0020266000000000, 0.0007407700000000, 0.0034500300000000 ] - [ -0.0042013600000000, -0.0181224600000000, 0.0069093300000000 ] - [ -0.0040049200000000, 0.0011991000000000, -0.0034205400000000 ] - [ -0.0042013600000000, 0.0181224600000000, 0.0069093300000000 ] - [ -0.0040049200000000, -0.0011991000000000, -0.0034205400000000 ] - [ -0.0022029500000000, -0.0200677000000000, -0.0069188500000000 ] - [ -0.0020266000000000, -0.0007407700000000, 0.0034500300000000 ] - [ -0.0047301100000000, 0.0000000000000000, -0.0000164700000000 ] - [ -0.0008786400000000, 0.0000000000000000, 0.0000064700000000 ] - [ -0.0017936200000000, 0.0000000000000000, 0.0002192100000000 ] - [ -0.0003994300000000, 0.0000000000000000, 0.0002282600000000 ] - [ 0.0052368100000000, 0.0000000000000000, -0.0001565500000000 ] - [ 0.0039907900000000, 0.0000000000000000, -0.0002656000000000 ] - [ 0.0020553500000000, 0.0000000000000000, -0.0000005400000000 ] - [ 0.0012404200000000, 0.0000000000000000, 0.0000028500000000 ] - [ 0.0102371700000000, 0.0302607200000000, 0.0044740800000000 ] - [ 0.0019718500000000, 0.0013439400000000, -0.0034285300000000 ] - [ 0.0080494900000000, 0.0280972700000000, -0.0045091000000000 ] - [ -0.0001715400000000, -0.0007662200000000, 0.0034527200000000 ] - [ 0.0102371700000000, -0.0302607200000000, 0.0044740800000000 ] - [ 0.0019718500000000, -0.0013439400000000, -0.0034285300000000 ] - [ 0.0080494900000000, -0.0280972700000000, -0.0045091000000000 ] - [ -0.0001715400000000, 0.0007662200000000, 0.0034527200000000 ] - [ 0.0157406700000000, 0.0000000000000000, 0.0178305600000000 ] - [ 0.0012577500000000, 0.0000000000000000, 0.0004635000000000 ] - [ -0.0081361200000000, 0.0001080700000000, -0.0001339100000000 ] - [ -0.0128598500000000, 0.0000979400000000, -0.0001090200000000 ] - [ -0.0081361200000000, -0.0001080700000000, -0.0001339100000000 ] - [ -0.0128598500000000, -0.0000979400000000, -0.0001090200000000 ] - [ 0.0097031400000000, 0.0000000000000000, -0.0183779700000000 ] - [ 0.0014524900000000, 0.0000000000000000, -0.0001730800000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014688900000000, -0.0002498400000000, -0.0001054400000000 ] - [ -0.0011777400000000, -0.0009640000000000, -0.0001756600000000 ] - [ 0.0009105900000000, 0.0017325800000000, -0.0006143300000000 ] - [ 0.0012050700000000, 0.0010184900000000, -0.0005393900000000 ] - [ -0.0009952700000000, 0.0017759500000000, 0.0016222900000000 ] - [ -0.0009368900000000, 0.0013711700000000, -0.0004112300000000 ] - [ 0.0009850800000000, -0.0006069800000000, -0.0009042700000000 ] - [ 0.0010481600000000, -0.0010130500000000, 0.0011271900000000 ] - [ -0.0009105900000000, 0.0017325800000000, -0.0006143300000000 ] - [ -0.0012050700000000, 0.0010184900000000, -0.0005393900000000 ] - [ 0.0009952700000000, 0.0017759500000000, 0.0016222900000000 ] - [ 0.0009368900000000, 0.0013711700000000, -0.0004112300000000 ] - [ -0.0009850800000000, -0.0006069800000000, -0.0009042700000000 ] - [ -0.0010481600000000, -0.0010130500000000, 0.0011271900000000 ] - [ 0.0014688900000000, -0.0002498400000000, -0.0001054400000000 ] - [ 0.0011777400000000, -0.0009640000000000, -0.0001756600000000 ] - [ 0.0000000000000000, 0.0012809300000000, -0.0000697100000000 ] - [ 0.0000000000000000, 0.0003843700000000, 0.0005912300000000 ] - [ 0.0002921000000000, 0.0010335400000000, -0.0004935100000000 ] - [ 0.0002900800000000, 0.0049378300000000, -0.0004937700000000 ] - [ -0.0002921000000000, 0.0010335400000000, -0.0004935100000000 ] - [ -0.0002900800000000, 0.0049378300000000, -0.0004937700000000 ] - [ 0.0000000000000000, 0.0007126700000000, 0.0010514400000000 ] - [ 0.0000000000000000, -0.0002006800000000, 0.0003967400000000 ] - [ -0.0001914900000000, 0.0002992200000000, -0.0004358000000000 ] - [ -0.0001310300000000, -0.0001653900000000, -0.0004700300000000 ] - [ 0.0000000000000000, -0.0002121500000000, 0.0006755400000000 ] - [ 0.0000000000000000, -0.0002000500000000, 0.0002390400000000 ] - [ 0.0000000000000000, -0.0004728200000000, 0.0002639700000000 ] - [ 0.0000000000000000, -0.0004202400000000, 0.0007296800000000 ] - [ 0.0001914900000000, 0.0002992200000000, -0.0004358000000000 ] - [ 0.0001310300000000, -0.0001653900000000, -0.0004700300000000 ] - [ -0.0051397600000000, 0.0022969000000000, -0.0026245900000000 ] - [ 0.0000871000000000, 0.0000035400000000, -0.0001532200000000 ] - [ 0.0000000000000000, -0.0496234700000000, -0.0002226400000000 ] - [ 0.0000000000000000, -0.0001457600000000, -0.0002305600000000 ] - [ 0.0000000000000000, 0.0013473700000000, 0.0002319700000000 ] - [ 0.0000000000000000, 0.0023078600000000, 0.0002302200000000 ] - [ 0.0084687100000000, 0.0050811300000000, 0.0057128800000000 ] - [ -0.0002724400000000, -0.0005815500000000, -0.0002056200000000 ] - [ -0.0000409300000000, 0.0003980400000000, -0.0002448900000000 ] - [ -0.0016231100000000, 0.0009567500000000, 0.0004673700000000 ] - [ 0.0002813000000000, -0.0001671900000000, 0.0000755300000000 ] - [ -0.0013121000000000, 0.0003917700000000, -0.0006366100000000 ] - [ 0.0091331700000000, 0.0053877300000000, -0.0055910200000000 ] - [ 0.0002933800000000, -0.0002599500000000, 0.0003778400000000 ] - [ 0.0000409300000000, 0.0003980400000000, -0.0002448900000000 ] - [ 0.0016231100000000, 0.0009567500000000, 0.0004673700000000 ] - [ -0.0002813000000000, -0.0001671900000000, 0.0000755300000000 ] - [ 0.0013121000000000, 0.0003917700000000, -0.0006366100000000 ] - [ -0.0091331700000000, 0.0053877300000000, -0.0055910200000000 ] - [ -0.0002933800000000, -0.0002599500000000, 0.0003778400000000 ] - [ -0.0084687100000000, 0.0050811300000000, 0.0057128800000000 ] - [ 0.0002724400000000, -0.0005815500000000, -0.0002056200000000 ] - [ 0.0051397600000000, 0.0022969000000000, -0.0026245900000000 ] - [ -0.0000871000000000, 0.0000035400000000, -0.0001532200000000 ] - [ -0.0007387200000000, 0.0010161900000000, -0.0003284500000000 ] - [ 0.0003531100000000, 0.0000683800000000, 0.0007134900000000 ] - [ -0.0014641400000000, 0.0009074400000000, 0.0012351900000000 ] - [ -0.0003677800000000, -0.0000437500000000, 0.0001915800000000 ] - [ 0.0052974600000000, 0.0015536700000000, 0.0017225100000000 ] - [ 0.0000225500000000, -0.0007208300000000, -0.0007532700000000 ] - [ 0.0007387200000000, 0.0010161900000000, -0.0003284500000000 ] - [ -0.0003531100000000, 0.0000683800000000, 0.0007134900000000 ] - [ 0.0014641400000000, 0.0009074400000000, 0.0012351900000000 ] - [ 0.0003677800000000, -0.0000437500000000, 0.0001915800000000 ] - [ -0.0052974600000000, 0.0015536700000000, 0.0017225100000000 ] - [ -0.0000225500000000, -0.0007208300000000, -0.0007532700000000 ] - [ 0.0000000000000000, 0.0027119300000000, -0.0000583400000000 ] - [ 0.0000000000000000, 0.0006119900000000, -0.0000002900000000 ] - [ 0.0021433700000000, -0.0029620100000000, 0.0016602400000000 ] - [ 0.0011278100000000, 0.0013281100000000, -0.0007916300000000 ] - [ -0.0021433700000000, -0.0029620100000000, 0.0016602400000000 ] - [ -0.0011278100000000, 0.0013281100000000, -0.0007916300000000 ] - [ 0.0001956300000000, -0.0049246400000000, -0.0016630600000000 ] - [ -0.0008292700000000, -0.0006302400000000, 0.0007908800000000 ] - [ -0.0001956300000000, -0.0049246400000000, -0.0016630600000000 ] - [ 0.0008292700000000, -0.0006302400000000, 0.0007908800000000 ] - [ 0.0000000000000000, 0.0006005800000000, 0.0000085300000000 ] - [ 0.0000000000000000, 0.0002021000000000, -0.0000016100000000 ] - [ 0.0000000000000000, -0.0005063800000000, 0.0002248300000000 ] - [ 0.0000000000000000, -0.0001820400000000, 0.0002243500000000 ] - [ 0.0000000000000000, 0.0017178000000000, -0.0002312700000000 ] - [ 0.0000000000000000, 0.0008181800000000, -0.0002270600000000 ] - [ 0.0000000000000000, -0.0008690900000000, -0.0000004100000000 ] - [ 0.0000000000000000, -0.0003009500000000, 0.0000000800000000 ] - [ 0.0025096500000000, -0.0069879400000000, -0.0019066200000000 ] - [ 0.0011032700000000, 0.0005182300000000, 0.0008514600000000 ] - [ 0.0003923800000000, -0.0091183600000000, 0.0019131600000000 ] - [ -0.0010225900000000, -0.0016084300000000, -0.0008555800000000 ] - [ -0.0003923800000000, -0.0091183600000000, 0.0019131600000000 ] - [ 0.0010225900000000, -0.0016084300000000, -0.0008555800000000 ] - [ -0.0025096500000000, -0.0069879400000000, -0.0019066200000000 ] - [ -0.0011032700000000, 0.0005182300000000, 0.0008514600000000 ] - [ -0.0004031200000000, 0.0203477600000000, 0.0001531100000000 ] - [ -0.0001078600000000, 0.0009991000000000, 0.0001272400000000 ] - [ 0.0000000000000000, -0.0007855100000000, -0.0013441100000000 ] - [ 0.0000000000000000, -0.0011815400000000, 0.0015453700000000 ] - [ 0.0000000000000000, -0.0010025200000000, 0.0010851300000000 ] - [ 0.0000000000000000, -0.0014312900000000, -0.0018000900000000 ] - [ 0.0004031200000000, 0.0203477600000000, 0.0001531100000000 ] - [ 0.0001078600000000, 0.0009991000000000, 0.0001272400000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0016552900000000, -0.0019604200000000, -0.0032289500000000 ] - [ -0.0009286500000000, -0.0008795500000000, 0.0011341500000000 ] - [ 0.0016552900000000, 0.0019604200000000, -0.0032289500000000 ] - [ 0.0009286500000000, 0.0008795500000000, 0.0011341500000000 ] - [ -0.0007799200000000, 0.0019957200000000, 0.0008621700000000 ] - [ -0.0011933500000000, 0.0011609600000000, 0.0015581500000000 ] - [ 0.0007799200000000, -0.0019957200000000, 0.0008621700000000 ] - [ 0.0011933500000000, -0.0011609600000000, 0.0015581500000000 ] - [ -0.0016552900000000, 0.0019604200000000, -0.0032289500000000 ] - [ -0.0009286500000000, 0.0008795500000000, 0.0011341500000000 ] - [ 0.0007799200000000, 0.0019957200000000, 0.0008621700000000 ] - [ 0.0011933500000000, 0.0011609600000000, 0.0015581500000000 ] - [ -0.0007799200000000, -0.0019957200000000, 0.0008621700000000 ] - [ -0.0011933500000000, -0.0011609600000000, 0.0015581500000000 ] - [ 0.0016552900000000, -0.0019604200000000, -0.0032289500000000 ] - [ 0.0009286500000000, -0.0008795500000000, 0.0011341500000000 ] - [ 0.0000000000000000, -0.0002990800000000, -0.0002137300000000 ] - [ 0.0000000000000000, 0.0003953300000000, 0.0008579000000000 ] - [ 0.0002804800000000, 0.0000000000000000, -0.0002236200000000 ] - [ 0.0004468700000000, 0.0000000000000000, -0.0004795900000000 ] - [ -0.0002804800000000, 0.0000000000000000, -0.0002236200000000 ] - [ -0.0004468700000000, 0.0000000000000000, -0.0004795900000000 ] - [ 0.0000000000000000, 0.0002990800000000, -0.0002137300000000 ] - [ 0.0000000000000000, -0.0003953300000000, 0.0008579000000000 ] - [ -0.0023332600000000, 0.0000000000000000, 0.0010690900000000 ] - [ -0.0001199800000000, 0.0000000000000000, -0.0000049400000000 ] - [ 0.0000000000000000, 0.0000443500000000, 0.0007241500000000 ] - [ 0.0000000000000000, 0.0000016600000000, 0.0008864600000000 ] - [ 0.0000000000000000, -0.0000443500000000, 0.0007241500000000 ] - [ 0.0000000000000000, -0.0000016600000000, 0.0008864600000000 ] - [ 0.0023332600000000, 0.0000000000000000, 0.0010690900000000 ] - [ 0.0001199800000000, 0.0000000000000000, -0.0000049400000000 ] - [ 0.0058955400000000, -0.0041631600000000, -0.0008771400000000 ] - [ 0.0001750600000000, -0.0001605900000000, 0.0006039400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0545461300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006835200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003651800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007408600000000 ] - [ 0.0075791500000000, 0.0092113900000000, 0.0024841200000000 ] - [ -0.0006268700000000, -0.0000384400000000, 0.0010658600000000 ] - [ -0.0003844900000000, 0.0002027200000000, 0.0002738400000000 ] - [ -0.0013357800000000, 0.0007325500000000, 0.0000714200000000 ] - [ 0.0003844900000000, -0.0002027200000000, 0.0002738400000000 ] - [ 0.0013357800000000, -0.0007325500000000, 0.0000714200000000 ] - [ -0.0075791500000000, -0.0092113900000000, 0.0024841200000000 ] - [ 0.0006268700000000, 0.0000384400000000, 0.0010658600000000 ] - [ 0.0003844900000000, 0.0002027200000000, 0.0002738400000000 ] - [ 0.0013357800000000, 0.0007325500000000, 0.0000714200000000 ] - [ -0.0003844900000000, -0.0002027200000000, 0.0002738400000000 ] - [ -0.0013357800000000, -0.0007325500000000, 0.0000714200000000 ] - [ 0.0075791500000000, -0.0092113900000000, 0.0024841200000000 ] - [ -0.0006268700000000, 0.0000384400000000, 0.0010658600000000 ] - [ -0.0075791500000000, 0.0092113900000000, 0.0024841200000000 ] - [ 0.0006268700000000, -0.0000384400000000, 0.0010658600000000 ] - [ -0.0058955400000000, -0.0041631600000000, -0.0008771400000000 ] - [ -0.0001750600000000, -0.0001605900000000, 0.0006039400000000 ] - [ 0.0012085300000000, -0.0012395600000000, 0.0007038400000000 ] - [ 0.0008646500000000, -0.0000655200000000, 0.0012351400000000 ] - [ -0.0012085300000000, 0.0012395600000000, 0.0007038400000000 ] - [ -0.0008646500000000, 0.0000655200000000, 0.0012351400000000 ] - [ 0.0058955400000000, 0.0041631600000000, -0.0008771400000000 ] - [ 0.0001750600000000, 0.0001605900000000, 0.0006039400000000 ] - [ -0.0012085300000000, -0.0012395600000000, 0.0007038400000000 ] - [ -0.0008646500000000, -0.0000655200000000, 0.0012351400000000 ] - [ 0.0012085300000000, 0.0012395600000000, 0.0007038400000000 ] - [ 0.0008646500000000, 0.0000655200000000, 0.0012351400000000 ] - [ -0.0058955400000000, 0.0041631600000000, -0.0008771400000000 ] - [ -0.0001750600000000, 0.0001605900000000, 0.0006039400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013253900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006729300000000 ] - [ 0.0008345500000000, 0.0067199400000000, 0.0009740200000000 ] - [ 0.0006748400000000, 0.0012121200000000, -0.0021667700000000 ] - [ -0.0008345500000000, 0.0067199400000000, 0.0009740200000000 ] - [ -0.0006748400000000, 0.0012121200000000, -0.0021667700000000 ] - [ -0.0008345500000000, -0.0067199400000000, 0.0009740200000000 ] - [ -0.0006748400000000, -0.0012121200000000, -0.0021667700000000 ] - [ 0.0008345500000000, -0.0067199400000000, 0.0009740200000000 ] - [ 0.0006748400000000, -0.0012121200000000, -0.0021667700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004717700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005117600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009171300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002571600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011205700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030309900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004638100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004727200000000 ] - [ 0.0016681800000000, -0.0041786600000000, 0.0016080900000000 ] - [ 0.0008858600000000, 0.0016482300000000, -0.0019242800000000 ] - [ -0.0016681800000000, 0.0041786600000000, 0.0016080900000000 ] - [ -0.0008858600000000, -0.0016482300000000, -0.0019242800000000 ] - [ 0.0016681800000000, 0.0041786600000000, 0.0016080900000000 ] - [ 0.0008858600000000, -0.0016482300000000, -0.0019242800000000 ] - [ -0.0016681800000000, -0.0041786600000000, 0.0016080900000000 ] - [ -0.0008858600000000, 0.0016482300000000, -0.0019242800000000 ] - [ -0.0159594000000000, 0.0000000000000000, 0.0222254000000000 ] - [ -0.0005598700000000, 0.0000000000000000, -0.0027393500000000 ] - [ 0.0000000000000000, -0.0000857700000000, -0.0011015600000000 ] - [ 0.0000000000000000, 0.0000808100000000, -0.0019331100000000 ] - [ 0.0000000000000000, 0.0000857700000000, -0.0011015600000000 ] - [ 0.0000000000000000, -0.0000808100000000, -0.0019331100000000 ] - [ 0.0159594000000000, 0.0000000000000000, 0.0222254000000000 ] - [ 0.0005598700000000, 0.0000000000000000, -0.0027393500000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0007276000000000, -0.0000209800000000, 0.0025009600000000 ] - [ -0.0014505100000000, -0.0011009300000000, -0.0018465700000000 ] - [ 0.0007276000000000, 0.0000209800000000, 0.0025009600000000 ] - [ 0.0014505100000000, 0.0011009300000000, -0.0018465700000000 ] - [ -0.0011953900000000, 0.0003861700000000, -0.0001473900000000 ] - [ -0.0007877700000000, 0.0012213100000000, -0.0008311700000000 ] - [ 0.0011953900000000, -0.0003861700000000, -0.0001473900000000 ] - [ 0.0007877700000000, -0.0012213100000000, -0.0008311700000000 ] - [ -0.0007276000000000, 0.0000209800000000, 0.0025009600000000 ] - [ -0.0014505100000000, 0.0011009300000000, -0.0018465700000000 ] - [ 0.0011953900000000, 0.0003861700000000, -0.0001473900000000 ] - [ 0.0007877700000000, 0.0012213100000000, -0.0008311700000000 ] - [ -0.0011953900000000, -0.0003861700000000, -0.0001473900000000 ] - [ -0.0007877700000000, -0.0012213100000000, -0.0008311700000000 ] - [ 0.0007276000000000, -0.0000209800000000, 0.0025009600000000 ] - [ 0.0014505100000000, -0.0011009300000000, -0.0018465700000000 ] - [ 0.0000000000000000, 0.0008710600000000, 0.0012005300000000 ] - [ 0.0000000000000000, 0.0001898400000000, 0.0001308400000000 ] - [ 0.0003015100000000, 0.0000000000000000, -0.0007627800000000 ] - [ 0.0001296400000000, 0.0000000000000000, -0.0005055700000000 ] - [ -0.0003015100000000, 0.0000000000000000, -0.0007627800000000 ] - [ -0.0001296400000000, 0.0000000000000000, -0.0005055700000000 ] - [ 0.0000000000000000, -0.0008710600000000, 0.0012005300000000 ] - [ 0.0000000000000000, -0.0001898400000000, 0.0001308400000000 ] - [ 0.0019567200000000, 0.0000000000000000, -0.0019377600000000 ] - [ -0.0001404300000000, 0.0000000000000000, -0.0009311100000000 ] - [ 0.0000000000000000, 0.0002187600000000, 0.0002104500000000 ] - [ 0.0000000000000000, 0.0002220700000000, 0.0000806800000000 ] - [ 0.0000000000000000, -0.0002187600000000, 0.0002104500000000 ] - [ 0.0000000000000000, -0.0002220700000000, 0.0000806800000000 ] - [ -0.0019567200000000, 0.0000000000000000, -0.0019377600000000 ] - [ 0.0001404300000000, 0.0000000000000000, -0.0009311100000000 ] - [ -0.0057482700000000, 0.0048843900000000, -0.0000591500000000 ] - [ -0.0000598100000000, 0.0008825500000000, -0.0015058200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0534949300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011426600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000982400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002772200000000 ] - [ -0.0082471100000000, -0.0095797700000000, -0.0022940500000000 ] - [ 0.0000546800000000, -0.0002886300000000, -0.0008866200000000 ] - [ 0.0000658300000000, 0.0003630800000000, -0.0004444900000000 ] - [ 0.0010214000000000, -0.0001661300000000, -0.0002415700000000 ] - [ -0.0000658300000000, -0.0003630800000000, -0.0004444900000000 ] - [ -0.0010214000000000, 0.0001661300000000, -0.0002415700000000 ] - [ 0.0082471100000000, 0.0095797700000000, -0.0022940500000000 ] - [ -0.0000546800000000, 0.0002886300000000, -0.0008866200000000 ] - [ -0.0000658300000000, 0.0003630800000000, -0.0004444900000000 ] - [ -0.0010214000000000, -0.0001661300000000, -0.0002415700000000 ] - [ 0.0000658300000000, -0.0003630800000000, -0.0004444900000000 ] - [ 0.0010214000000000, 0.0001661300000000, -0.0002415700000000 ] - [ -0.0082471100000000, 0.0095797700000000, -0.0022940500000000 ] - [ 0.0000546800000000, 0.0002886300000000, -0.0008866200000000 ] - [ 0.0082471100000000, -0.0095797700000000, -0.0022940500000000 ] - [ -0.0000546800000000, -0.0002886300000000, -0.0008866200000000 ] - [ 0.0057482700000000, 0.0048843900000000, -0.0000591500000000 ] - [ 0.0000598100000000, 0.0008825500000000, -0.0015058200000000 ] - [ -0.0004799700000000, 0.0013505900000000, 0.0002022600000000 ] - [ -0.0001374200000000, 0.0001791800000000, -0.0003251000000000 ] - [ 0.0004799700000000, -0.0013505900000000, 0.0002022600000000 ] - [ 0.0001374200000000, -0.0001791800000000, -0.0003251000000000 ] - [ -0.0057482700000000, -0.0048843900000000, -0.0000591500000000 ] - [ -0.0000598100000000, -0.0008825500000000, -0.0015058200000000 ] - [ 0.0004799700000000, 0.0013505900000000, 0.0002022600000000 ] - [ 0.0001374200000000, 0.0001791800000000, -0.0003251000000000 ] - [ -0.0004799700000000, -0.0013505900000000, 0.0002022600000000 ] - [ -0.0001374200000000, -0.0001791800000000, -0.0003251000000000 ] - [ 0.0057482700000000, -0.0048843900000000, -0.0000591500000000 ] - [ 0.0000598100000000, -0.0008825500000000, -0.0015058200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014585500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006763200000000 ] - [ 0.0011237700000000, -0.0047587800000000, -0.0009634900000000 ] - [ 0.0012815300000000, 0.0007525100000000, 0.0021565900000000 ] - [ -0.0011237700000000, -0.0047587800000000, -0.0009634900000000 ] - [ -0.0012815300000000, 0.0007525100000000, 0.0021565900000000 ] - [ -0.0011237700000000, 0.0047587800000000, -0.0009634900000000 ] - [ -0.0012815300000000, -0.0007525100000000, 0.0021565900000000 ] - [ 0.0011237700000000, 0.0047587800000000, -0.0009634900000000 ] - [ 0.0012815300000000, -0.0007525100000000, 0.0021565900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004511900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005063100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004651000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007051800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008861800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025876900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004607700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004714400000000 ] - [ 0.0004565800000000, 0.0063023300000000, -0.0016072100000000 ] - [ 0.0012363400000000, 0.0004896300000000, 0.0019198600000000 ] - [ -0.0004565800000000, -0.0063023300000000, -0.0016072100000000 ] - [ -0.0012363400000000, -0.0004896300000000, 0.0019198600000000 ] - [ 0.0004565800000000, -0.0063023300000000, -0.0016072100000000 ] - [ 0.0012363400000000, -0.0004896300000000, 0.0019198600000000 ] - [ -0.0004565800000000, 0.0063023300000000, -0.0016072100000000 ] - [ -0.0012363400000000, 0.0004896300000000, 0.0019198600000000 ] - [ 0.0154174800000000, 0.0000000000000000, -0.0218244700000000 ] - [ 0.0003346300000000, 0.0000000000000000, 0.0029815300000000 ] - [ 0.0000000000000000, 0.0003013300000000, 0.0008479600000000 ] - [ 0.0000000000000000, 0.0001658100000000, 0.0016701700000000 ] - [ 0.0000000000000000, -0.0003013300000000, 0.0008479600000000 ] - [ 0.0000000000000000, -0.0001658100000000, 0.0016701700000000 ] - [ -0.0154174800000000, 0.0000000000000000, -0.0218244700000000 ] - [ -0.0003346300000000, 0.0000000000000000, 0.0029815300000000 ]- atom: 39 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0006344500000000, -0.0010591100000000, 0.0003722100000000 ] - [ -0.0009692900000000, -0.0010448500000000, -0.0005538600000000 ] - [ 0.0010845000000000, 0.0007149500000000, -0.0003636400000000 ] - [ 0.0011011100000000, 0.0009943100000000, -0.0002009400000000 ] - [ -0.0009651800000000, 0.0014148700000000, 0.0007475900000000 ] - [ -0.0007189900000000, 0.0012076600000000, -0.0000836400000000 ] - [ 0.0007546400000000, -0.0009045500000000, -0.0001607600000000 ] - [ -0.0021025100000000, -0.0016803200000000, -0.0008350300000000 ] - [ -0.0010549100000000, 0.0012028800000000, -0.0002638000000000 ] - [ -0.0010591900000000, 0.0010417200000000, -0.0004056200000000 ] - [ 0.0007706200000000, 0.0012531900000000, 0.0002010900000000 ] - [ 0.0007730600000000, 0.0012084700000000, 0.0006892400000000 ] - [ -0.0009486300000000, -0.0013313100000000, 0.0008445300000000 ] - [ -0.0002806800000000, -0.0012406500000000, -0.0006591800000000 ] - [ -0.0007398600000000, 0.0000315500000000, -0.0007718300000000 ] - [ 0.0010539300000000, -0.0009672200000000, -0.0005391000000000 ] - [ -0.0018273600000000, 0.0001834600000000, 0.0005250100000000 ] - [ -0.0002206600000000, 0.0003085400000000, 0.0005010900000000 ] - [ 0.0002483300000000, 0.0000700400000000, -0.0005329700000000 ] - [ 0.0030478600000000, 0.0023595300000000, -0.0004085000000000 ] - [ -0.0002764600000000, -0.0000230400000000, -0.0004371900000000 ] - [ 0.0007710600000000, -0.0030963600000000, -0.0008283300000000 ] - [ 0.0106082200000000, -0.0125993100000000, 0.0002428300000000 ] - [ -0.0002528600000000, -0.0003074500000000, 0.0004772200000000 ] - [ 0.0043740500000000, 0.0002120600000000, -0.0011980500000000 ] - [ 0.0001673300000000, 0.0000046400000000, -0.0005306500000000 ] - [ 0.0000870600000000, 0.0000467100000000, 0.0003052500000000 ] - [ 0.0009146200000000, -0.0013174400000000, 0.0014232500000000 ] - [ 0.0000848500000000, -0.0000309000000000, 0.0003048000000000 ] - [ 0.0016245400000000, 0.0004580500000000, 0.0013910500000000 ] - [ 0.0129187500000000, -0.0115549600000000, -0.0057594100000000 ] - [ -0.0000165900000000, 0.0000029600000000, -0.0004794400000000 ] - [ 0.0005605000000000, -0.0000893700000000, 0.0000691700000000 ] - [ 0.0004507600000000, 0.0003153700000000, -0.0007405400000000 ] - [ 0.0078209900000000, 0.0088663600000000, 0.0077406700000000 ] - [ -0.0002163500000000, 0.0000121700000000, -0.0005755400000000 ] - [ 0.0001181000000000, -0.0000157700000000, 0.0001516200000000 ] - [ 0.0006731500000000, 0.0018503600000000, 0.0006755900000000 ] - [ -0.0440388600000000, 0.0136003800000000, 0.0099694800000000 ] - [ -0.0003620600000000, -0.0002666300000000, -0.0000090800000000 ] - [ 0.0002113300000000, 0.0002804600000000, -0.0002075200000000 ] - [ 0.0038917100000000, 0.0002476600000000, -0.0013579900000000 ] - [ 0.0001310600000000, -0.0002802700000000, -0.0000924300000000 ] - [ -0.0001994100000000, -0.0002510000000000, -0.0001144700000000 ] - [ 0.0008221800000000, 0.0014103300000000, -0.0004173900000000 ] - [ 0.0003262400000000, 0.0002794300000000, 0.0000869000000000 ] - [ 0.0001383200000000, 0.0002874700000000, -0.0001059400000000 ] - [ 0.0077600200000000, 0.0075553000000000, 0.0036413900000000 ] - [ 0.0001713200000000, -0.0002825800000000, -0.0001867900000000 ] - [ 0.0017079900000000, -0.0004347000000000, -0.0007654200000000 ] - [ -0.0023767300000000, -0.0007109700000000, 0.0019851700000000 ] - [ -0.0003670500000000, 0.0002576100000000, 0.0000359100000000 ] - [ 0.0011507900000000, -0.0000904700000000, 0.0002101400000000 ] - [ 0.0003252800000000, -0.0002410100000000, 0.0000973500000000 ] - [ -0.0018708200000000, 0.0008298000000000, -0.0028552900000000 ] - [ -0.0005532600000000, 0.0003326000000000, -0.0005029900000000 ] - [ 0.0010390100000000, -0.0000687400000000, 0.0007757000000000 ] - [ 0.0016123300000000, -0.0000112700000000, 0.0010591400000000 ] - [ -0.0000246200000000, -0.0005575700000000, 0.0000607600000000 ] - [ -0.0005882500000000, -0.0000148300000000, 0.0006380600000000 ] - [ 0.0010082300000000, 0.0008300700000000, 0.0004085300000000 ] - [ 0.0003742300000000, -0.0002004800000000, -0.0006185100000000 ] - [ -0.0001104500000000, 0.0003622500000000, -0.0000573200000000 ] - [ -0.0011507400000000, 0.0002132500000000, 0.0008943500000000 ] - [ 0.0009838600000000, 0.0002280900000000, 0.0007005400000000 ] - [ 0.0010696300000000, 0.0000764700000000, 0.0007944800000000 ] - [ 0.0008982900000000, -0.0014204500000000, -0.0014488000000000 ] - [ -0.0003067800000000, -0.0001495700000000, -0.0003733700000000 ] - [ -0.0078441800000000, 0.0007613900000000, -0.0031795700000000 ] - [ -0.0001336400000000, 0.0000041200000000, 0.0002021300000000 ] - [ 0.0001342900000000, 0.0014117600000000, -0.0010892200000000 ] - [ -0.0007077800000000, 0.0010880400000000, 0.0008109300000000 ] - [ -0.0003717500000000, -0.0005814800000000, 0.0012937300000000 ] - [ 0.0006828100000000, 0.0004099900000000, 0.0001320500000000 ] - [ -0.0001231600000000, 0.0001273200000000, 0.0005751000000000 ] - [ -0.0006367800000000, -0.0012221300000000, -0.0004010900000000 ] - [ 0.0003473300000000, -0.0022702700000000, -0.0006008700000000 ] - [ -0.0000321000000000, -0.0012291300000000, 0.0002472400000000 ] - [ -0.0005803900000000, -0.0000118200000000, 0.0007385700000000 ] - [ -0.0001563300000000, 0.0000690900000000, -0.0003849000000000 ] - [ -0.0002876100000000, -0.0001091800000000, 0.0004356800000000 ] - [ -0.0000301300000000, -0.0000061800000000, 0.0000983600000000 ] - [ 0.0002910100000000, 0.0000442600000000, -0.0005953900000000 ] - [ -0.0000960900000000, -0.0008171900000000, 0.0012279400000000 ] - [ 0.0002314200000000, 0.0001004700000000, -0.0001828100000000 ] - [ 0.0001237100000000, 0.0001120800000000, 0.0001380100000000 ] - [ -0.0089539000000000, 0.0030371000000000, 0.0015100200000000 ] - [ 0.0009266900000000, 0.0011941700000000, -0.0002260300000000 ] - [ 0.0010405700000000, -0.0008746500000000, -0.0002156100000000 ] - [ -0.0007751100000000, -0.0011617400000000, 0.0000298300000000 ] - [ 0.0006295100000000, -0.0004517900000000, 0.0000857200000000 ] - [ 0.0009326700000000, -0.0011875100000000, -0.0002615200000000 ] - [ 0.0071242900000000, 0.0065621500000000, 0.0000949900000000 ] - [ -0.0007847900000000, 0.0010667700000000, 0.0004048500000000 ] - [ -0.0088031100000000, -0.0009393000000000, 0.0008933900000000 ] - [ -0.0004699400000000, -0.0000732800000000, 0.0004868400000000 ] - [ -0.0007101100000000, 0.0002432600000000, 0.0001899000000000 ] - [ -0.0012483500000000, 0.0002033100000000, 0.0002242900000000 ] - [ -0.0007372700000000, -0.0002385700000000, 0.0001721800000000 ] - [ -0.0068720800000000, -0.0015527900000000, -0.0036835300000000 ] - [ 0.0177753100000000, -0.0119675500000000, -0.0121041900000000 ] - [ 0.0007180800000000, -0.0000485900000000, 0.0003542000000000 ]- atom: 39 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0017470400000000, -0.0009251000000000, -0.0010734500000000 ] - [ -0.0014200200000000, -0.0009419900000000, -0.0001713900000000 ] - [ 0.0013029200000000, 0.0012505000000000, -0.0003493000000000 ] - [ 0.0012875400000000, 0.0009908000000000, -0.0005077500000000 ] - [ -0.0010200500000000, 0.0009749000000000, -0.0000242900000000 ] - [ -0.0012673100000000, 0.0011784000000000, 0.0007978900000000 ] - [ 0.0012284000000000, -0.0014800000000000, 0.0008659600000000 ] - [ 0.0040981600000000, -0.0006852000000000, 0.0015991800000000 ] - [ -0.0013322800000000, 0.0007858400000000, -0.0004549900000000 ] - [ -0.0013302000000000, 0.0009460200000000, -0.0003218800000000 ] - [ 0.0012071100000000, 0.0011045700000000, 0.0004754500000000 ] - [ 0.0012200200000000, 0.0011835400000000, 0.0000545400000000 ] - [ -0.0010383500000000, -0.0010578900000000, -0.0001226400000000 ] - [ -0.0017051200000000, -0.0011487100000000, 0.0013635400000000 ] - [ 0.0031418600000000, -0.0020088200000000, 0.0000459600000000 ] - [ 0.0013348400000000, -0.0010202600000000, -0.0001738800000000 ] - [ 0.0017707100000000, 0.0004027300000000, 0.0004639100000000 ] - [ 0.0002199500000000, 0.0002783400000000, 0.0004859300000000 ] - [ 0.0003372500000000, -0.0000691000000000, -0.0004589400000000 ] - [ -0.0024678500000000, -0.0021081800000000, -0.0005499800000000 ] - [ -0.0003111200000000, 0.0000161900000000, -0.0005503800000000 ] - [ -0.0013442600000000, 0.0030287900000000, -0.0001649900000000 ] - [ -0.0104556100000000, 0.0118013900000000, 0.0007492400000000 ] - [ 0.0002435600000000, -0.0002814300000000, 0.0005070500000000 ] - [ -0.0046377000000000, -0.0002094900000000, 0.0002574400000000 ] - [ -0.0004299700000000, -0.0000025200000000, -0.0004143100000000 ] - [ -0.0000830300000000, 0.0002210300000000, 0.0006346600000000 ] - [ -0.0009102700000000, 0.0015852000000000, -0.0004862400000000 ] - [ -0.0000809500000000, -0.0002366100000000, 0.0006357400000000 ] - [ -0.0016242200000000, -0.0007154900000000, -0.0004478100000000 ] - [ -0.0128394900000000, 0.0117666000000000, 0.0049417300000000 ] - [ 0.0002926800000000, -0.0000010300000000, -0.0004606600000000 ] - [ -0.0004537700000000, 0.0008148500000000, -0.0009743700000000 ] - [ -0.0003453200000000, 0.0004153500000000, -0.0001760600000000 ] - [ -0.0077451600000000, -0.0087363100000000, -0.0080845800000000 ] - [ 0.0002013500000000, -0.0000094200000000, 0.0001070600000000 ] - [ -0.0001128100000000, 0.0000150300000000, 0.0003104900000000 ] - [ -0.0006760800000000, -0.0018967400000000, -0.0002241900000000 ] - [ 0.0431836100000000, -0.0139509300000000, -0.0093335000000000 ] - [ -0.0002035200000000, -0.0000537300000000, 0.0001836500000000 ] - [ -0.0005286000000000, 0.0002823900000000, 0.0000338700000000 ] - [ -0.0042046600000000, 0.0003080200000000, 0.0011932400000000 ] - [ 0.0001984200000000, -0.0002823100000000, -0.0000751000000000 ] - [ 0.0005722400000000, -0.0003114400000000, -0.0000349000000000 ] - [ -0.0002600000000000, -0.0010780100000000, 0.0005843000000000 ] - [ 0.0002364200000000, 0.0000539000000000, 0.0000782300000000 ] - [ 0.0001937500000000, 0.0002735100000000, -0.0000613800000000 ] - [ -0.0075406200000000, -0.0071363600000000, -0.0038545200000000 ] - [ -0.0004932100000000, -0.0002815800000000, 0.0000151100000000 ] - [ -0.0020304200000000, -0.0001332700000000, 0.0005971000000000 ] - [ 0.0017985400000000, 0.0009672000000000, -0.0017706800000000 ] - [ -0.0001963500000000, 0.0000628100000000, 0.0001308200000000 ] - [ -0.0005943100000000, -0.0002254500000000, -0.0000248500000000 ] - [ 0.0002380500000000, -0.0000844000000000, 0.0000706800000000 ] - [ 0.0017838900000000, -0.0000755600000000, 0.0019210200000000 ] - [ 0.0004505500000000, 0.0003880100000000, -0.0004134600000000 ] - [ -0.0003089300000000, 0.0001732700000000, 0.0001403200000000 ] - [ -0.0008981100000000, 0.0001172600000000, -0.0001601100000000 ] - [ -0.0006702500000000, 0.0004342000000000, 0.0008354900000000 ] - [ -0.0001202500000000, -0.0000922900000000, 0.0002657300000000 ] - [ -0.0008920600000000, -0.0015387400000000, -0.0013069200000000 ] - [ -0.0002684400000000, -0.0005260700000000, -0.0002952800000000 ] - [ -0.0006018400000000, -0.0002535000000000, 0.0009667300000000 ] - [ 0.0004384200000000, -0.0001077100000000, 0.0000046100000000 ] - [ -0.0002533600000000, -0.0003292700000000, 0.0002118600000000 ] - [ -0.0003550100000000, -0.0001854300000000, 0.0001081000000000 ] - [ -0.0009659500000000, 0.0005393200000000, 0.0004049900000000 ] - [ 0.0002038500000000, -0.0005712700000000, -0.0005387100000000 ] - [ 0.0078568100000000, -0.0007580300000000, 0.0032054100000000 ] - [ 0.0001295300000000, -0.0000060100000000, -0.0002000200000000 ] - [ 0.0018189000000000, 0.0005508600000000, 0.0010724400000000 ] - [ 0.0026702400000000, 0.0008682600000000, -0.0007927700000000 ] - [ -0.0016012500000000, 0.0025239900000000, -0.0012837700000000 ] - [ -0.0026808700000000, 0.0015624200000000, -0.0001437100000000 ] - [ -0.0018654700000000, -0.0019713900000000, -0.0005644500000000 ] - [ -0.0013469700000000, -0.0007475000000000, 0.0003822300000000 ] - [ 0.0016086000000000, 0.0002879300000000, 0.0005868300000000 ] - [ 0.0019918400000000, -0.0007339500000000, -0.0002422300000000 ] - [ 0.0005741900000000, 0.0000107000000000, -0.0007449900000000 ] - [ 0.0001563700000000, -0.0000704100000000, 0.0003877600000000 ] - [ 0.0002836800000000, 0.0001127400000000, 0.0000090800000000 ] - [ 0.0000295600000000, 0.0000077600000000, 0.0003544700000000 ] - [ -0.0002816600000000, -0.0000465200000000, 0.0001458300000000 ] - [ 0.0001126300000000, 0.0008172700000000, -0.0016851100000000 ] - [ -0.0002236400000000, -0.0000970500000000, 0.0001815700000000 ] - [ -0.0001161900000000, -0.0001100400000000, -0.0001389400000000 ] - [ 0.0110056300000000, -0.0008774800000000, -0.0014978300000000 ] - [ 0.0012077400000000, 0.0009365700000000, 0.0002281900000000 ] - [ -0.0031613400000000, -0.0012868900000000, 0.0001980300000000 ] - [ -0.0013519900000000, -0.0009677800000000, -0.0000034700000000 ] - [ 0.0015376300000000, -0.0016466600000000, -0.0000935400000000 ] - [ 0.0012060100000000, -0.0009409800000000, 0.0002622900000000 ] - [ -0.0091838200000000, -0.0035646400000000, -0.0000572600000000 ] - [ -0.0013412500000000, 0.0010744300000000, -0.0003963100000000 ] - [ 0.0085541600000000, 0.0009267000000000, -0.0006372400000000 ] - [ 0.0002562200000000, 0.0000692500000000, -0.0002123100000000 ] - [ 0.0006833100000000, -0.0000235200000000, -0.0004449600000000 ] - [ 0.0012122300000000, 0.0000382500000000, -0.0004972300000000 ] - [ 0.0007245100000000, 0.0000272900000000, -0.0004341600000000 ] - [ 0.0069094500000000, 0.0013477600000000, 0.0034802700000000 ] - [ -0.0172953700000000, 0.0110408600000000, 0.0116801500000000 ] - [ -0.0004996100000000, 0.0000374400000000, -0.0000843500000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0027460600000000, -0.0029628400000000, -0.0047346700000000 ] - [ -0.0008441200000000, -0.0010116200000000, 0.0016617000000000 ] - [ 0.0020946400000000, 0.0085115200000000, -0.0052458900000000 ] - [ 0.0010763200000000, 0.0013454300000000, 0.0006791500000000 ] - [ -0.0012045800000000, 0.0021932200000000, 0.0015351500000000 ] - [ -0.0009629500000000, 0.0020668600000000, 0.0003030900000000 ] - [ 0.0011331000000000, -0.0040370400000000, -0.0013503200000000 ] - [ 0.0043953400000000, 0.0039228300000000, 0.0244999900000000 ] - [ -0.0015360400000000, 0.0025429100000000, -0.0021268800000000 ] - [ -0.0011583700000000, 0.0011825700000000, 0.0004857600000000 ] - [ 0.0024511300000000, 0.0064167300000000, 0.0061682900000000 ] - [ 0.0010488200000000, 0.0057308900000000, -0.0001813100000000 ] - [ -0.0011120000000000, -0.0020677400000000, 0.0002288700000000 ] - [ -0.0015805100000000, -0.0023783900000000, 0.0025263200000000 ] - [ 0.0058758100000000, 0.0022733000000000, -0.0228896000000000 ] - [ 0.0012063200000000, -0.0010502500000000, 0.0068973000000000 ] - [ -0.0000864700000000, 0.0056068100000000, -0.0006537500000000 ] - [ 0.0005530300000000, 0.0005475100000000, 0.0010209800000000 ] - [ 0.0003068500000000, 0.0027699000000000, 0.0003099300000000 ] - [ -0.0019670200000000, 0.0811250500000000, 0.0050421500000000 ] - [ -0.0003772600000000, 0.0012894700000000, -0.0002417400000000 ] - [ -0.0030763100000000, 0.0105483000000000, -0.0004934100000000 ] - [ -0.0452728400000000, 0.0122073100000000, -0.0007826600000000 ] - [ -0.0006724000000000, -0.0002617600000000, 0.0010831100000000 ] - [ -0.0020233200000000, -0.0011879600000000, -0.0030387500000000 ] - [ -0.0003934000000000, -0.0002978700000000, 0.0000400500000000 ] - [ -0.0002381500000000, 0.0000376100000000, 0.0016479000000000 ] - [ -0.0017103400000000, 0.0053212600000000, -0.0035477900000000 ] - [ -0.0000088900000000, -0.0012990500000000, 0.0010230400000000 ] - [ -0.0006022400000000, -0.0112063400000000, -0.0042333500000000 ] - [ -0.0325155800000000, 0.0066807700000000, -0.0014265600000000 ] - [ 0.0005676300000000, -0.0004377100000000, 0.0002583300000000 ] - [ 0.0012175500000000, -0.0037340000000000, 0.0007054400000000 ] - [ 0.0005861000000000, -0.0014318000000000, 0.0006656800000000 ] - [ 0.0426551400000000, 0.0051499800000000, 0.0091484800000000 ] - [ -0.0002472100000000, -0.0004197900000000, -0.0001000900000000 ] - [ -0.0001181000000000, 0.0020353800000000, 0.0004551800000000 ] - [ 0.0014622400000000, 0.0083066100000000, 0.0014014900000000 ] - [ 0.0138991700000000, -0.2466076600000000, -0.0914569700000000 ] - [ -0.0003880100000000, -0.0012023300000000, 0.0004516600000000 ] - [ -0.0005481200000000, 0.0002498100000000, 0.0003281000000000 ] - [ 0.0000164300000000, -0.0001001600000000, -0.0011777600000000 ] - [ 0.0005499100000000, 0.0000888600000000, 0.0006900700000000 ] - [ -0.0000395600000000, 0.0037499800000000, -0.0011588000000000 ] - [ 0.0015193900000000, 0.0079927700000000, -0.0031636200000000 ] - [ 0.0003922700000000, -0.0004851800000000, 0.0008820200000000 ] - [ 0.0011922100000000, 0.0002552000000000, 0.0007859200000000 ] - [ 0.0308211200000000, 0.0079364700000000, 0.0093833300000000 ] - [ -0.0014077400000000, 0.0000506000000000, 0.0008023600000000 ] - [ -0.0003101600000000, 0.0015811700000000, -0.0005213400000000 ] - [ 0.0005598800000000, 0.0582175000000000, -0.0147759300000000 ] - [ -0.0003776900000000, -0.0014220900000000, 0.0018237500000000 ] - [ 0.0002063400000000, -0.0173084600000000, -0.0065869200000000 ] - [ 0.0003583500000000, -0.0007045300000000, 0.0003451800000000 ] - [ -0.0022528200000000, -0.0152580400000000, 0.0079286800000000 ] - [ -0.0000523700000000, -0.0049580600000000, 0.0032712600000000 ] - [ 0.0001343600000000, -0.0011036700000000, -0.0000524600000000 ] - [ 0.0021614100000000, -0.0009568300000000, 0.0027310300000000 ] - [ -0.0043734100000000, 0.0044416300000000, 0.0026896500000000 ] - [ -0.0008841600000000, 0.0007042700000000, 0.0006850000000000 ] - [ 0.0020365100000000, 0.0031540300000000, 0.0009666700000000 ] - [ 0.0003560200000000, -0.0000744100000000, -0.0003663600000000 ] - [ 0.0010557600000000, -0.0028821200000000, -0.0015440800000000 ] - [ 0.0020141900000000, -0.0009910300000000, 0.0026794000000000 ] - [ 0.0005538800000000, 0.0012318700000000, 0.0009062800000000 ] - [ 0.0008962200000000, 0.0007815000000000, 0.0007174200000000 ] - [ -0.0064152100000000, 0.0273102800000000, 0.0220678400000000 ] - [ -0.0002359800000000, -0.0000208100000000, -0.0006604900000000 ] - [ 0.0152966100000000, 0.0037216700000000, 0.0170470000000000 ] - [ -0.0000184500000000, 0.0010084400000000, -0.0015195600000000 ] - [ 0.0016819500000000, 0.0072873000000000, 0.0024906300000000 ] - [ -0.0001453500000000, 0.0031368800000000, -0.0033227000000000 ] - [ -0.0045459900000000, 0.0221320600000000, 0.0125182900000000 ] - [ -0.0086113300000000, 0.0087606500000000, -0.0160757900000000 ] - [ 0.0010284500000000, -0.0236780300000000, -0.0009328800000000 ] - [ -0.0004179200000000, -0.0019030500000000, -0.0002851000000000 ] - [ 0.0012500600000000, -0.0062408600000000, -0.0001062100000000 ] - [ 0.0003609100000000, -0.0014667800000000, -0.0005444000000000 ] - [ 0.0013668300000000, 0.0008309200000000, -0.0021086100000000 ] - [ 0.0000472200000000, 0.0006295500000000, 0.0000958500000000 ] - [ -0.0005631900000000, -0.0013675100000000, 0.0016116100000000 ] - [ -0.0001598800000000, -0.0005675600000000, -0.0005491500000000 ] - [ -0.0007425800000000, 0.0007542500000000, -0.0025176500000000 ] - [ -0.0014807500000000, 0.0017396900000000, 0.0024986800000000 ] - [ 0.0004496300000000, -0.0014967700000000, 0.0013272200000000 ] - [ 0.0009332500000000, -0.0013586200000000, -0.0013830400000000 ] - [ 0.0261163700000000, 0.0085036800000000, -0.0010617200000000 ] - [ 0.0017260800000000, 0.0010060300000000, -0.0018808600000000 ] - [ -0.0001612300000000, -0.0684041700000000, 0.0090950700000000 ] - [ -0.0013257300000000, -0.0029769900000000, -0.0053763000000000 ] - [ 0.0008562000000000, -0.0151624900000000, 0.0031037400000000 ] - [ 0.0012458900000000, -0.0020681500000000, -0.0018606300000000 ] - [ 0.0081821200000000, 0.0283935800000000, -0.0027824700000000 ] - [ -0.0010566700000000, 0.0006606200000000, -0.0039226900000000 ] - [ -0.0232217300000000, 0.0061286900000000, 0.0118075500000000 ] - [ -0.0002196700000000, 0.0015603600000000, -0.0013542900000000 ] - [ 0.0022962400000000, -0.0023643600000000, -0.0037935900000000 ] - [ 0.0003099100000000, -0.0106894200000000, 0.0015058900000000 ] - [ -0.0008310000000000, -0.0001555300000000, -0.0005518600000000 ] - [ -0.0174309500000000, 0.0050517200000000, -0.0118478500000000 ] - [ -0.0104155900000000, 0.0670048000000000, 0.0480522800000000 ] - [ 0.0005862700000000, 0.0038907800000000, -0.0027879900000000 ]- atom: 39 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003657000000000, 0.0009873800000000, 0.0040561600000000 ] - [ -0.0015492700000000, -0.0009769400000000, -0.0023854700000000 ] - [ 0.0002804000000000, -0.0065442600000000, 0.0046138800000000 ] - [ 0.0013125700000000, 0.0006397600000000, -0.0014075100000000 ] - [ -0.0007856000000000, 0.0001914100000000, -0.0008208700000000 ] - [ -0.0010291800000000, 0.0003112800000000, 0.0003961800000000 ] - [ 0.0008536800000000, 0.0016876800000000, 0.0020548800000000 ] - [ -0.0024239600000000, -0.0062712700000000, -0.0241147300000000 ] - [ -0.0008482100000000, -0.0005621900000000, 0.0014316700000000 ] - [ -0.0012348000000000, 0.0008079100000000, -0.0012117000000000 ] - [ -0.0004511300000000, -0.0040176700000000, -0.0054263500000000 ] - [ 0.0009319800000000, -0.0033787500000000, 0.0008031400000000 ] - [ -0.0008808300000000, -0.0003159200000000, 0.0004838600000000 ] - [ -0.0004170600000000, 0.0000021300000000, -0.0018350400000000 ] - [ -0.0035401600000000, -0.0042675400000000, 0.0225068400000000 ] - [ 0.0011769500000000, -0.0009298100000000, -0.0076517000000000 ] - [ 0.0001973500000000, -0.0050608700000000, 0.0016532800000000 ] - [ -0.0005414700000000, 0.0000412000000000, -0.0000324000000000 ] - [ 0.0002807100000000, -0.0027503600000000, -0.0013009500000000 ] - [ 0.0026193500000000, -0.0822313200000000, -0.0061648000000000 ] - [ -0.0002116000000000, -0.0012880500000000, -0.0007484100000000 ] - [ 0.0025142400000000, -0.0106127500000000, -0.0005010000000000 ] - [ 0.0458843900000000, -0.0127955800000000, 0.0018211400000000 ] - [ 0.0006722700000000, -0.0003255600000000, -0.0001000800000000 ] - [ 0.0017954100000000, 0.0011884700000000, 0.0021000400000000 ] - [ 0.0001355500000000, 0.0002987800000000, -0.0009850500000000 ] - [ 0.0002390300000000, 0.0002121000000000, -0.0007047800000000 ] - [ 0.0017259400000000, -0.0051389200000000, 0.0045254300000000 ] - [ 0.0000130900000000, 0.0010453600000000, -0.0000840800000000 ] - [ 0.0006311600000000, 0.0110400000000000, 0.0052069800000000 ] - [ 0.0327375500000000, -0.0068611100000000, 0.0004474200000000 ] - [ -0.0003022100000000, 0.0004373800000000, -0.0011998900000000 ] - [ -0.0011261400000000, 0.0044837700000000, -0.0016177400000000 ] - [ -0.0004943000000000, 0.0021750400000000, -0.0015716200000000 ] - [ -0.0426532100000000, -0.0053163800000000, -0.0096414500000000 ] - [ 0.0002375300000000, 0.0004208800000000, -0.0003494600000000 ] - [ 0.0001205000000000, -0.0020223100000000, 0.0000071100000000 ] - [ -0.0014740500000000, -0.0083429200000000, -0.0009567600000000 ] - [ -0.0136634600000000, 0.2484917800000000, 0.0874322400000000 ] - [ -0.0001743600000000, 0.0008958700000000, -0.0002810100000000 ] - [ 0.0002357200000000, 0.0003144200000000, -0.0005013000000000 ] - [ -0.0003057000000000, 0.0006682100000000, 0.0010149300000000 ] - [ -0.0002347400000000, -0.0006489700000000, -0.0008588200000000 ] - [ 0.0002755800000000, -0.0043429700000000, 0.0009703000000000 ] - [ -0.0009704300000000, -0.0077630600000000, 0.0033578600000000 ] - [ 0.0001669000000000, 0.0008010400000000, -0.0007159100000000 ] - [ -0.0008729000000000, 0.0003076400000000, -0.0009570000000000 ] - [ -0.0308719400000000, -0.0073649700000000, -0.0096304300000000 ] - [ 0.0010846200000000, -0.0006118600000000, -0.0009702500000000 ] - [ -0.0000006400000000, -0.0021553200000000, 0.0003571900000000 ] - [ -0.0011158700000000, -0.0578034500000000, 0.0149269900000000 ] - [ -0.0001825900000000, 0.0017182000000000, -0.0016500200000000 ] - [ 0.0003394800000000, 0.0170917800000000, 0.0067849000000000 ] - [ 0.0002015100000000, 0.0003912300000000, -0.0001784700000000 ] - [ 0.0021991800000000, 0.0160194600000000, -0.0090623300000000 ] - [ -0.0000479600000000, 0.0057332200000000, -0.0041668300000000 ] - [ 0.0005934000000000, 0.0012145100000000, 0.0009612400000000 ] - [ -0.0014609200000000, 0.0010720100000000, -0.0018472400000000 ] - [ 0.0036231100000000, -0.0045402000000000, -0.0017713400000000 ] - [ 0.0001605500000000, -0.0008188700000000, 0.0002056400000000 ] - [ -0.0019455400000000, -0.0039015700000000, -0.0018798700000000 ] - [ -0.0002636800000000, -0.0006683200000000, -0.0005402700000000 ] - [ -0.0017667600000000, 0.0030274600000000, 0.0024472800000000 ] - [ -0.0027428000000000, 0.0011160200000000, -0.0017925600000000 ] - [ 0.0001682600000000, -0.0013408100000000, -0.0000015100000000 ] - [ -0.0001905800000000, -0.0008959100000000, 0.0001712900000000 ] - [ 0.0062768600000000, -0.0278685300000000, -0.0228004500000000 ] - [ 0.0001400300000000, -0.0007434500000000, -0.0002532700000000 ] - [ -0.0154411900000000, -0.0036972700000000, -0.0171357600000000 ] - [ 0.0000158300000000, -0.0010022200000000, 0.0015211800000000 ] - [ 0.0002737800000000, -0.0053693800000000, -0.0025069400000000 ] - [ 0.0021201600000000, -0.0012040600000000, 0.0033413300000000 ] - [ 0.0025878800000000, -0.0205007300000000, -0.0125092200000000 ] - [ 0.0067057600000000, -0.0069277600000000, 0.0161412900000000 ] - [ -0.0029713100000000, 0.0217791500000000, 0.0008958800000000 ] - [ -0.0015219600000000, 0.0000038000000000, 0.0003432500000000 ] - [ 0.0007062200000000, 0.0043195900000000, 0.0000916500000000 ] - [ 0.0016048800000000, -0.0004668800000000, 0.0005603100000000 ] - [ -0.0013788000000000, -0.0008236900000000, 0.0021239400000000 ] - [ -0.0000544000000000, -0.0006258000000000, -0.0001033100000000 ] - [ 0.0005695400000000, 0.0013671200000000, -0.0011751600000000 ] - [ 0.0001614700000000, 0.0005678300000000, 0.0010043600000000 ] - [ 0.0007505800000000, -0.0007459000000000, 0.0020856800000000 ] - [ 0.0015562000000000, -0.0016832300000000, -0.0030336100000000 ] - [ -0.0004548400000000, 0.0014946400000000, -0.0013392000000000 ] - [ -0.0009409800000000, 0.0013595700000000, 0.0013962900000000 ] - [ -0.0241651700000000, -0.0064598100000000, 0.0010746400000000 ] - [ 0.0004015800000000, 0.0011103700000000, 0.0018913900000000 ] - [ -0.0019887000000000, 0.0666921900000000, -0.0091088600000000 ] - [ -0.0008012400000000, 0.0008553800000000, 0.0053756900000000 ] - [ 0.0012060100000000, 0.0131535200000000, -0.0031096200000000 ] - [ 0.0008851800000000, -0.0000494900000000, 0.0018687700000000 ] - [ -0.0107883900000000, -0.0328075600000000, 0.0023037400000000 ] - [ -0.0010688100000000, 0.0014469800000000, 0.0039567300000000 ] - [ 0.0231414700000000, -0.0061103700000000, -0.0115984300000000 ] - [ 0.0000113000000000, -0.0015580500000000, 0.0016087600000000 ] - [ -0.0022890500000000, 0.0025895500000000, 0.0035286100000000 ] - [ -0.0002659700000000, 0.0110071400000000, -0.0017267800000000 ] - [ 0.0008152100000000, -0.0000823100000000, 0.0003086600000000 ] - [ 0.0175217700000000, -0.0053750900000000, 0.0116935600000000 ] - [ 0.0100521400000000, -0.0617364300000000, -0.0428609500000000 ] - [ -0.0003726900000000, -0.0038754300000000, 0.0030249700000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0016958400000000, -0.0018073400000000, -0.0022874500000000 ] - [ -0.0010560100000000, -0.0008560000000000, 0.0008682200000000 ] - [ 0.0016042400000000, 0.0043245900000000, -0.0026732500000000 ] - [ 0.0010790700000000, 0.0008598600000000, 0.0004885900000000 ] - [ -0.0010675600000000, 0.0016172600000000, 0.0011830500000000 ] - [ -0.0010570100000000, 0.0013252900000000, -0.0001536700000000 ] - [ 0.0014407700000000, -0.0030584400000000, 0.0026273800000000 ] - [ 0.0037857000000000, 0.0113616100000000, 0.0163436500000000 ] - [ -0.0012659500000000, 0.0015822200000000, -0.0011222500000000 ] - [ -0.0011976700000000, 0.0009528700000000, 0.0001797600000000 ] - [ 0.0017363400000000, 0.0038063500000000, 0.0039017600000000 ] - [ 0.0009729600000000, 0.0025165700000000, -0.0009347500000000 ] - [ -0.0010222300000000, -0.0015905000000000, 0.0007634300000000 ] - [ -0.0015033900000000, -0.0013203500000000, 0.0004936100000000 ] - [ 0.0014144900000000, -0.0062850600000000, -0.0044187200000000 ] - [ 0.0011034100000000, -0.0004793100000000, 0.0057978200000000 ] - [ 0.0008863200000000, 0.0019939000000000, -0.0000845400000000 ] - [ 0.0002375800000000, 0.0003342800000000, 0.0008669800000000 ] - [ 0.0002923300000000, 0.0011431900000000, 0.0003228300000000 ] - [ -0.0002990400000000, 0.0168981100000000, 0.0036124800000000 ] - [ -0.0003620600000000, 0.0005174900000000, -0.0002462600000000 ] - [ -0.0009973400000000, 0.0038571800000000, -0.0006181000000000 ] - [ -0.0116103300000000, 0.0026746200000000, -0.0037927000000000 ] - [ -0.0003834600000000, -0.0002382500000000, 0.0011121300000000 ] - [ -0.0004337600000000, -0.0005583500000000, -0.0018249900000000 ] - [ -0.0004302800000000, -0.0001180500000000, 0.0000762200000000 ] - [ -0.0001233100000000, -0.0001058400000000, 0.0012871900000000 ] - [ -0.0005449400000000, 0.0018483400000000, -0.0016113400000000 ] - [ -0.0001028400000000, -0.0003037600000000, 0.0011348700000000 ] - [ 0.0004439000000000, -0.0038947400000000, -0.0020807800000000 ] - [ -0.0140558800000000, 0.0034292600000000, -0.0061321200000000 ] - [ 0.0008013800000000, -0.0002679300000000, 0.0004175600000000 ] - [ 0.0006534300000000, -0.0013236100000000, 0.0000272100000000 ] - [ -0.0000308700000000, -0.0000900100000000, 0.0003025200000000 ] - [ 0.0231241200000000, 0.0056670000000000, 0.0021438200000000 ] - [ -0.0006231900000000, -0.0002910200000000, 0.0007429800000000 ] - [ -0.0001583000000000, 0.0006047000000000, 0.0005877300000000 ] - [ 0.0005542000000000, 0.0038334600000000, 0.0003904400000000 ] - [ 0.0095435600000000, -0.0916320300000000, -0.1112168200000000 ] - [ -0.0003779000000000, 0.0002049700000000, 0.0012799000000000 ] - [ -0.0009349700000000, 0.0002731000000000, 0.0004880300000000 ] - [ 0.0008997000000000, 0.0002420000000000, -0.0010470800000000 ] - [ 0.0005751800000000, -0.0001602400000000, 0.0004893400000000 ] - [ -0.0009268900000000, 0.0009999500000000, -0.0010485500000000 ] - [ 0.0007855700000000, 0.0034303000000000, -0.0019984100000000 ] - [ 0.0002765800000000, -0.0006330300000000, 0.0007727700000000 ] - [ 0.0010330800000000, 0.0002586700000000, 0.0008679800000000 ] - [ 0.0097196200000000, 0.0040497500000000, 0.0004649200000000 ] - [ -0.0010496100000000, -0.0001808400000000, 0.0005221800000000 ] - [ 0.0002734800000000, 0.0004021300000000, -0.0005248600000000 ] - [ 0.0016099300000000, 0.0150863200000000, -0.0163595500000000 ] - [ -0.0003282500000000, -0.0015766300000000, 0.0016436400000000 ] - [ 0.0001635300000000, -0.0068682400000000, -0.0038287800000000 ] - [ 0.0002679200000000, 0.0000975200000000, 0.0005578600000000 ] - [ -0.0029999300000000, -0.0057610800000000, 0.0114452500000000 ] - [ 0.0003824300000000, -0.0021549900000000, 0.0042499400000000 ] - [ 0.0001665100000000, -0.0004450000000000, 0.0003844600000000 ] - [ 0.0011013500000000, -0.0001411100000000, 0.0011979700000000 ] - [ -0.0025980600000000, 0.0021085100000000, 0.0018228100000000 ] - [ -0.0003158300000000, -0.0000515700000000, 0.0002365800000000 ] - [ 0.0010133100000000, 0.0011475100000000, 0.0001757100000000 ] - [ -0.0001421900000000, -0.0006777900000000, -0.0002147700000000 ] - [ -0.0016346400000000, -0.0017205900000000, 0.0011865600000000 ] - [ 0.0025274000000000, 0.0002620300000000, 0.0010557300000000 ] - [ 0.0004502600000000, 0.0004904700000000, 0.0007636300000000 ] - [ 0.0003929100000000, 0.0001211200000000, 0.0003240900000000 ] - [ -0.0032895800000000, 0.0125258800000000, 0.0120164300000000 ] - [ 0.0001063200000000, -0.0012544900000000, 0.0000027900000000 ] - [ 0.0050849100000000, 0.0022074800000000, 0.0083339300000000 ] - [ -0.0001929000000000, 0.0003018400000000, -0.0014910900000000 ] - [ 0.0012489600000000, 0.0036610200000000, 0.0007867100000000 ] - [ 0.0007347500000000, 0.0011905800000000, -0.0014654300000000 ] - [ 0.0002255100000000, 0.0124959200000000, -0.0013848500000000 ] - [ -0.0079251800000000, 0.0028036300000000, -0.0135906100000000 ] - [ 0.0004311600000000, -0.0128194000000000, -0.0014342800000000 ] - [ -0.0008311100000000, 0.0003129000000000, 0.0003480600000000 ] - [ 0.0010670300000000, -0.0032774400000000, -0.0002826100000000 ] - [ 0.0009254600000000, -0.0004154700000000, -0.0000059700000000 ] - [ 0.0009527300000000, 0.0002013200000000, -0.0009045700000000 ] - [ -0.0004569100000000, 0.0004708800000000, -0.0001801800000000 ] - [ 0.0000616100000000, -0.0004478600000000, 0.0008781600000000 ] - [ -0.0001632900000000, -0.0003376700000000, -0.0002201100000000 ] - [ -0.0006961700000000, 0.0001669300000000, -0.0016697400000000 ] - [ 0.0021267600000000, 0.0023059600000000, -0.0008650300000000 ] - [ -0.0002348600000000, -0.0003582000000000, 0.0002777000000000 ] - [ 0.0006636000000000, -0.0009454500000000, -0.0005390000000000 ] - [ 0.0086584100000000, 0.0031819900000000, 0.0013037200000000 ] - [ 0.0016987700000000, 0.0007240700000000, -0.0016916300000000 ] - [ -0.0008786300000000, -0.0208528400000000, 0.0053855100000000 ] - [ -0.0012827000000000, -0.0013173900000000, -0.0036943700000000 ] - [ 0.0001744100000000, -0.0062922600000000, 0.0020168200000000 ] - [ 0.0013442900000000, -0.0011070400000000, -0.0013778600000000 ] - [ -0.0001371000000000, -0.0390234200000000, 0.0087672400000000 ] - [ -0.0010812100000000, 0.0005928200000000, -0.0055417900000000 ] - [ -0.0113581400000000, 0.0027701300000000, 0.0066973800000000 ] - [ 0.0007027400000000, 0.0007495400000000, -0.0017551300000000 ] - [ 0.0012953500000000, -0.0006775900000000, -0.0025235900000000 ] - [ 0.0003400700000000, -0.0039991800000000, 0.0017126600000000 ] - [ 0.0006549300000000, 0.0000312000000000, -0.0020639800000000 ] - [ -0.0079401100000000, -0.0000702300000000, -0.0025549300000000 ] - [ -0.0122892500000000, 0.0777398600000000, 0.0900666400000000 ] - [ 0.0002763100000000, 0.0030312200000000, -0.0047388400000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0006943000000000, -0.0001831900000000, 0.0015630900000000 ] - [ -0.0013299400000000, -0.0011315200000000, -0.0015771700000000 ] - [ 0.0007863100000000, -0.0023148000000000, 0.0019515700000000 ] - [ 0.0013079800000000, 0.0011296100000000, -0.0011952500000000 ] - [ -0.0009182900000000, 0.0007714900000000, -0.0004714100000000 ] - [ -0.0009298600000000, 0.0010663500000000, 0.0008737000000000 ] - [ 0.0005454700000000, 0.0006569700000000, -0.0019338500000000 ] - [ -0.0017924400000000, -0.0139418800000000, -0.0157831300000000 ] - [ -0.0011226700000000, 0.0004092900000000, 0.0003987700000000 ] - [ -0.0011907900000000, 0.0010367900000000, -0.0008969100000000 ] - [ 0.0002515000000000, -0.0014160400000000, -0.0031937800000000 ] - [ 0.0010159400000000, -0.0001084700000000, 0.0016564000000000 ] - [ -0.0009655100000000, -0.0007990600000000, -0.0000569600000000 ] - [ -0.0004846700000000, -0.0010745600000000, 0.0002312900000000 ] - [ 0.0009797100000000, 0.0042529300000000, 0.0036656600000000 ] - [ 0.0012809800000000, -0.0015112300000000, -0.0065329500000000 ] - [ -0.0008868200000000, -0.0013896700000000, 0.0010708500000000 ] - [ -0.0002253800000000, 0.0002548700000000, 0.0001220100000000 ] - [ 0.0002951100000000, -0.0011361700000000, -0.0013126900000000 ] - [ 0.0008881100000000, -0.0165641400000000, -0.0046240100000000 ] - [ -0.0002259100000000, -0.0005194800000000, -0.0007424600000000 ] - [ 0.0003984800000000, -0.0038256000000000, -0.0003693100000000 ] - [ 0.0114648800000000, -0.0031745900000000, 0.0047976200000000 ] - [ 0.0003891700000000, -0.0003513300000000, -0.0001273300000000 ] - [ 0.0001753800000000, 0.0005581200000000, 0.0008772500000000 ] - [ 0.0001704000000000, 0.0001193300000000, -0.0010198900000000 ] - [ 0.0001228900000000, 0.0003690900000000, -0.0003467700000000 ] - [ 0.0005421900000000, -0.0015832800000000, 0.0025516400000000 ] - [ 0.0001029800000000, 0.0000383600000000, -0.0001959900000000 ] - [ -0.0004430300000000, 0.0036153800000000, 0.0030234500000000 ] - [ 0.0142821900000000, -0.0034691600000000, 0.0051023900000000 ] - [ -0.0005381500000000, 0.0002697500000000, -0.0013598500000000 ] - [ -0.0005474500000000, 0.0020491700000000, -0.0009379900000000 ] - [ 0.0001388000000000, 0.0008104700000000, -0.0012080700000000 ] - [ -0.0229428700000000, -0.0056340200000000, -0.0026356300000000 ] - [ 0.0006225100000000, 0.0002937500000000, -0.0012114900000000 ] - [ 0.0001602100000000, -0.0006000400000000, -0.0001269300000000 ] - [ -0.0005490500000000, -0.0038139100000000, 0.0000783200000000 ] - [ -0.0097692600000000, 0.0872207000000000, 0.1097962900000000 ] - [ -0.0001856000000000, -0.0005249800000000, -0.0011053800000000 ] - [ 0.0006166600000000, 0.0002893100000000, -0.0006596400000000 ] - [ -0.0012273200000000, 0.0003203500000000, 0.0008854900000000 ] - [ -0.0002580500000000, -0.0004003700000000, -0.0006589900000000 ] - [ 0.0012574800000000, -0.0015495900000000, 0.0008827300000000 ] - [ -0.0002168100000000, -0.0030936100000000, 0.0021628000000000 ] - [ 0.0002865300000000, 0.0009620200000000, -0.0006067300000000 ] - [ -0.0007145400000000, 0.0003018800000000, -0.0010396900000000 ] - [ -0.0093020800000000, -0.0034467600000000, -0.0005752500000000 ] - [ 0.0007254400000000, -0.0003814300000000, -0.0006911700000000 ] - [ -0.0006016500000000, -0.0009593400000000, 0.0003588300000000 ] - [ -0.0021454500000000, -0.0146228200000000, 0.0163413800000000 ] - [ -0.0002340000000000, 0.0018953400000000, -0.0014737200000000 ] - [ 0.0003979100000000, 0.0065056500000000, 0.0039887700000000 ] - [ 0.0002959200000000, -0.0004226000000000, -0.0003904100000000 ] - [ 0.0028277200000000, 0.0064462200000000, -0.0120984700000000 ] - [ -0.0004914600000000, 0.0028791100000000, -0.0051883800000000 ] - [ 0.0005558500000000, 0.0005483500000000, 0.0005184200000000 ] - [ -0.0003746100000000, 0.0002429400000000, -0.0002817700000000 ] - [ 0.0018702000000000, -0.0022088400000000, -0.0009166800000000 ] - [ -0.0004121200000000, -0.0000480000000000, 0.0006739400000000 ] - [ -0.0009055200000000, -0.0018742400000000, -0.0010872900000000 ] - [ 0.0002496300000000, -0.0000440000000000, -0.0006927700000000 ] - [ 0.0009160100000000, 0.0018127100000000, -0.0002881700000000 ] - [ -0.0032752200000000, -0.0001638400000000, -0.0001386400000000 ] - [ 0.0002725500000000, -0.0005935000000000, 0.0001394800000000 ] - [ 0.0003298100000000, -0.0002226200000000, 0.0005833500000000 ] - [ 0.0031857700000000, -0.0132724100000000, -0.0128542900000000 ] - [ -0.0002117400000000, 0.0005378200000000, -0.0009170500000000 ] - [ -0.0050788400000000, -0.0021925100000000, -0.0083186600000000 ] - [ 0.0001971100000000, -0.0003004600000000, 0.0014926000000000 ] - [ 0.0007129700000000, -0.0016915700000000, -0.0007736400000000 ] - [ 0.0012156700000000, 0.0007774700000000, 0.0014544300000000 ] - [ -0.0021831200000000, -0.0104274100000000, 0.0014462900000000 ] - [ 0.0059985300000000, -0.0008408100000000, 0.0136318300000000 ] - [ -0.0023885700000000, 0.0108431800000000, 0.0014261500000000 ] - [ -0.0011265400000000, -0.0022860200000000, -0.0003600800000000 ] - [ 0.0008922500000000, 0.0013117600000000, 0.0002843200000000 ] - [ 0.0010259700000000, -0.0015501500000000, -0.0000025000000000 ] - [ -0.0009482400000000, -0.0002004600000000, 0.0009046700000000 ] - [ 0.0004615600000000, -0.0004706200000000, 0.0001784800000000 ] - [ -0.0000637100000000, 0.0004452300000000, -0.0004248500000000 ] - [ 0.0001651800000000, 0.0003384500000000, 0.0006674200000000 ] - [ 0.0006924900000000, -0.0001667700000000, 0.0012182400000000 ] - [ -0.0021194600000000, -0.0022914400000000, 0.0003891800000000 ] - [ 0.0002382200000000, 0.0003547600000000, -0.0002721700000000 ] - [ -0.0006643800000000, 0.0009479000000000, 0.0005343900000000 ] - [ -0.0064358100000000, -0.0010392800000000, -0.0013193300000000 ] - [ 0.0004261300000000, 0.0014052300000000, 0.0016935300000000 ] - [ -0.0012466500000000, 0.0184975600000000, -0.0053569100000000 ] - [ -0.0008451300000000, -0.0008193600000000, 0.0036962500000000 ] - [ 0.0019567000000000, 0.0041241600000000, -0.0020139900000000 ] - [ 0.0007866700000000, -0.0010220900000000, 0.0013796800000000 ] - [ -0.0019890900000000, 0.0414466100000000, -0.0088983100000000 ] - [ -0.0010471700000000, 0.0015473600000000, 0.0055574400000000 ] - [ 0.0110892500000000, -0.0027475000000000, -0.0064050800000000 ] - [ -0.0009306900000000, -0.0007481000000000, 0.0020190900000000 ] - [ -0.0012953800000000, 0.0008929700000000, 0.0022657300000000 ] - [ -0.0003419800000000, 0.0041965000000000, -0.0019796500000000 ] - [ -0.0006535100000000, -0.0002470400000000, 0.0018134000000000 ] - [ 0.0078965100000000, -0.0001362900000000, 0.0022279100000000 ] - [ 0.0120662000000000, -0.0741977500000000, -0.0879425400000000 ] - [ -0.0000592500000000, -0.0030465100000000, 0.0050154900000000 ]- atom: 69 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0014365600000000, -0.0028522900000000, -0.0005710300000000 ] - [ -0.0010305000000000, -0.0012586200000000, -0.0007988500000000 ] - [ 0.0009430900000000, -0.0008705500000000, -0.0001403300000000 ] - [ 0.0013542400000000, 0.0007219800000000, 0.0000753700000000 ] - [ -0.0013936500000000, 0.0029109900000000, 0.0030977600000000 ] - [ -0.0007322100000000, 0.0017693100000000, -0.0014242600000000 ] - [ 0.0005867800000000, 0.0005241200000000, -0.0023718800000000 ] - [ 0.0012518000000000, -0.0006107200000000, 0.0021357800000000 ] - [ -0.0014365600000000, 0.0028522900000000, -0.0005710300000000 ] - [ -0.0010305000000000, 0.0012586200000000, -0.0007988500000000 ] - [ 0.0005867800000000, -0.0005241200000000, -0.0023718800000000 ] - [ 0.0012518000000000, 0.0006107200000000, 0.0021357800000000 ] - [ -0.0013936500000000, -0.0029109900000000, 0.0030977600000000 ] - [ -0.0007322100000000, -0.0017693100000000, -0.0014242600000000 ] - [ 0.0009430900000000, 0.0008705500000000, -0.0001403300000000 ] - [ 0.0013542400000000, -0.0007219800000000, 0.0000753700000000 ] - [ -0.0109734000000000, 0.0002890700000000, 0.0004948100000000 ] - [ -0.0016987800000000, 0.0002925100000000, 0.0004928200000000 ] - [ 0.0001903800000000, 0.0000000000000000, -0.0008907300000000 ] - [ -0.0009446800000000, 0.0000000000000000, 0.0000409600000000 ] - [ -0.0003930700000000, 0.0000000000000000, -0.0000953000000000 ] - [ -0.0015285400000000, 0.0000000000000000, -0.0010309800000000 ] - [ -0.0109734000000000, -0.0002890700000000, 0.0004948100000000 ] - [ -0.0016987800000000, -0.0002925100000000, 0.0004928200000000 ] - [ 0.1053056300000000, 0.0000000000000000, -0.0721096800000000 ] - [ 0.0004467200000000, 0.0000000000000000, -0.0006472800000000 ] - [ 0.0005100200000000, 0.0001282400000000, 0.0004645700000000 ] - [ 0.0300600800000000, -0.0004390500000000, 0.0009021000000000 ] - [ 0.0005100200000000, -0.0001282400000000, 0.0004645700000000 ] - [ 0.0300600800000000, 0.0004390500000000, 0.0009021000000000 ] - [ 0.1130334100000000, 0.0000000000000000, 0.0773793600000000 ] - [ 0.0007164500000000, 0.0000000000000000, -0.0002952200000000 ] - [ -0.0031432700000000, -0.0063671400000000, 0.0054441300000000 ] - [ 0.0000068200000000, 0.0002282100000000, -0.0014725500000000 ] - [ -0.0351491100000000, 0.0000000000000000, -0.0002135900000000 ] - [ -0.0016267800000000, 0.0000000000000000, -0.0002309900000000 ] - [ 0.0006128600000000, 0.0000000000000000, 0.0002314600000000 ] - [ 0.0027117500000000, 0.0000000000000000, 0.0002262600000000 ] - [ -0.0081637700000000, 0.0151836200000000, 0.0051380700000000 ] - [ -0.0004152600000000, -0.0001761000000000, -0.0001066900000000 ] - [ 0.0008446100000000, 0.0002789000000000, -0.0003872000000000 ] - [ 0.0035388600000000, -0.0004723900000000, -0.0022774500000000 ] - [ 0.0011674700000000, -0.0002875400000000, 0.0002159100000000 ] - [ 0.0038803500000000, -0.0010465700000000, 0.0021212200000000 ] - [ -0.0075352900000000, 0.0155596700000000, -0.0050279500000000 ] - [ 0.0001517000000000, 0.0001459700000000, 0.0002791300000000 ] - [ 0.0011674700000000, 0.0002875400000000, 0.0002159100000000 ] - [ 0.0038803500000000, 0.0010465700000000, 0.0021212200000000 ] - [ 0.0008446100000000, -0.0002789000000000, -0.0003872000000000 ] - [ 0.0035388600000000, 0.0004723900000000, -0.0022774500000000 ] - [ -0.0081637700000000, -0.0151836200000000, 0.0051380700000000 ] - [ -0.0004152600000000, 0.0001761000000000, -0.0001066900000000 ] - [ -0.0075352900000000, -0.0155596700000000, -0.0050279500000000 ] - [ 0.0001517000000000, -0.0001459700000000, 0.0002791300000000 ] - [ -0.0032672000000000, 0.0070646200000000, -0.0063366200000000 ] - [ -0.0001023700000000, 0.0005077700000000, 0.0005655600000000 ] - [ 0.0025921600000000, -0.0014421500000000, 0.0022383700000000 ] - [ 0.0019919700000000, 0.0002200100000000, 0.0012946600000000 ] - [ 0.0018579400000000, -0.0015536400000000, -0.0013292000000000 ] - [ 0.0012843200000000, 0.0001057100000000, -0.0003961300000000 ] - [ -0.0031432700000000, 0.0063671400000000, 0.0054441300000000 ] - [ 0.0000068200000000, -0.0002282100000000, -0.0014725500000000 ] - [ 0.0018579400000000, 0.0015536400000000, -0.0013292000000000 ] - [ 0.0012843200000000, -0.0001057100000000, -0.0003961300000000 ] - [ 0.0025921600000000, 0.0014421500000000, 0.0022383700000000 ] - [ 0.0019919700000000, -0.0002200100000000, 0.0012946600000000 ] - [ -0.0032672000000000, -0.0070646200000000, -0.0063366200000000 ] - [ -0.0001023700000000, -0.0005077700000000, 0.0005655600000000 ] - [ -0.3615445300000000, 0.0000000000000000, -0.0072288900000000 ] - [ -0.0009428100000000, 0.0000000000000000, 0.0000061200000000 ] - [ -0.0004893400000000, 0.0091685700000000, -0.0036849600000000 ] - [ -0.0008610200000000, 0.0018870900000000, 0.0016850300000000 ] - [ -0.0024264500000000, -0.0071998500000000, 0.0036790700000000 ] - [ -0.0028276600000000, 0.0000524900000000, -0.0016791700000000 ] - [ -0.0024264500000000, 0.0071998500000000, 0.0036790700000000 ] - [ -0.0028276600000000, -0.0000524900000000, -0.0016791700000000 ] - [ -0.0004893400000000, -0.0091685700000000, -0.0036849600000000 ] - [ -0.0008610200000000, -0.0018870900000000, 0.0016850300000000 ] - [ -0.0061218800000000, 0.0000000000000000, -0.0000153200000000 ] - [ -0.0034228900000000, 0.0000000000000000, 0.0000099200000000 ] - [ -0.0009740000000000, 0.0000000000000000, 0.0002229500000000 ] - [ -0.0001891700000000, 0.0000000000000000, 0.0002265000000000 ] - [ 0.0016039200000000, 0.0000000000000000, -0.0002266700000000 ] - [ 0.0024280600000000, 0.0000000000000000, -0.0002256300000000 ] - [ 0.0010155000000000, 0.0000000000000000, -0.0000011600000000 ] - [ 0.0006287200000000, 0.0000000000000000, 0.0000013500000000 ] - [ 0.0065491800000000, 0.0143654800000000, 0.0019273400000000 ] - [ 0.0015911000000000, 0.0012667800000000, -0.0016333100000000 ] - [ 0.0044399000000000, 0.0122588300000000, -0.0019285100000000 ] - [ -0.0005317800000000, -0.0008571600000000, 0.0016324400000000 ] - [ 0.0065491800000000, -0.0143654800000000, 0.0019273400000000 ] - [ 0.0015911000000000, -0.0012667800000000, -0.0016333100000000 ] - [ 0.0044399000000000, -0.0122588300000000, -0.0019285100000000 ] - [ -0.0005317800000000, 0.0008571600000000, 0.0016324400000000 ] - [ 0.0851699200000000, 0.0000000000000000, -0.0118012500000000 ] - [ 0.0008806900000000, 0.0000000000000000, 0.0010394600000000 ] - [ -0.0039351400000000, 0.0001149200000000, -0.0001275200000000 ] - [ -0.0079706000000000, 0.0001160800000000, -0.0001270500000000 ] - [ -0.0039351400000000, -0.0001149200000000, -0.0001275200000000 ] - [ -0.0079706000000000, -0.0001160800000000, -0.0001270500000000 ] - [ 0.0856602200000000, 0.0000000000000000, 0.0122889000000000 ] - [ 0.0010969200000000, 0.0000000000000000, -0.0007874800000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0012696700000000, 0.0010488200000000, 0.0022514300000000 ] - [ -0.0027614800000000, -0.0015412700000000, -0.0031965000000000 ] - [ 0.0012696700000000, -0.0010488200000000, 0.0022514300000000 ] - [ 0.0027614800000000, 0.0015412700000000, -0.0031965000000000 ] - [ -0.0004360000000000, -0.0003790200000000, -0.0024713400000000 ] - [ -0.0030253100000000, 0.0011043100000000, 0.0029366100000000 ] - [ 0.0004360000000000, 0.0003790200000000, -0.0024713400000000 ] - [ 0.0030253100000000, -0.0011043100000000, 0.0029366100000000 ] - [ -0.0012696700000000, -0.0010488200000000, 0.0022514300000000 ] - [ -0.0027614800000000, 0.0015412700000000, -0.0031965000000000 ] - [ 0.0004360000000000, -0.0003790200000000, -0.0024713400000000 ] - [ 0.0030253100000000, 0.0011043100000000, 0.0029366100000000 ] - [ -0.0004360000000000, 0.0003790200000000, -0.0024713400000000 ] - [ -0.0030253100000000, -0.0011043100000000, 0.0029366100000000 ] - [ 0.0012696700000000, 0.0010488200000000, 0.0022514300000000 ] - [ 0.0027614800000000, -0.0015412700000000, -0.0031965000000000 ] - [ 0.0000000000000000, -0.0019559400000000, 0.0017715800000000 ] - [ 0.0000000000000000, 0.0003637200000000, -0.0003102500000000 ] - [ 0.0002191500000000, 0.0000000000000000, -0.0012964900000000 ] - [ 0.0025338000000000, 0.0000000000000000, 0.0007786100000000 ] - [ -0.0002191500000000, 0.0000000000000000, -0.0012964900000000 ] - [ -0.0025338000000000, 0.0000000000000000, 0.0007786100000000 ] - [ 0.0000000000000000, 0.0019559400000000, 0.0017715800000000 ] - [ 0.0000000000000000, -0.0003637200000000, -0.0003102500000000 ] - [ -0.0598839100000000, 0.0000000000000000, 0.0855151800000000 ] - [ -0.0007710400000000, 0.0000000000000000, -0.0031037200000000 ] - [ 0.0000000000000000, -0.0005343800000000, -0.0021784800000000 ] - [ 0.0000000000000000, -0.0558049000000000, 0.0847539200000000 ] - [ 0.0000000000000000, 0.0005343800000000, -0.0021784800000000 ] - [ 0.0000000000000000, 0.0558049000000000, 0.0847539200000000 ] - [ 0.0598839100000000, 0.0000000000000000, 0.0855151800000000 ] - [ 0.0007710400000000, 0.0000000000000000, -0.0031037200000000 ] - [ 0.0014591200000000, 0.0059220700000000, -0.0040646600000000 ] - [ -0.0019366000000000, 0.0008107400000000, -0.0018912600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0011654300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009062200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004420900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0016164200000000 ] - [ -0.0034947900000000, 0.0169299200000000, 0.0084017100000000 ] - [ -0.0000837300000000, -0.0016755400000000, -0.0014028600000000 ] - [ 0.0013657500000000, 0.0004849800000000, -0.0015793000000000 ] - [ -0.0172637400000000, -0.0028923600000000, 0.0082589800000000 ] - [ -0.0013657500000000, -0.0004849800000000, -0.0015793000000000 ] - [ 0.0172637400000000, 0.0028923600000000, 0.0082589800000000 ] - [ 0.0034947900000000, -0.0169299200000000, 0.0084017100000000 ] - [ 0.0000837300000000, 0.0016755400000000, -0.0014028600000000 ] - [ -0.0013657500000000, 0.0004849800000000, -0.0015793000000000 ] - [ 0.0172637400000000, -0.0028923600000000, 0.0082589800000000 ] - [ 0.0013657500000000, -0.0004849800000000, -0.0015793000000000 ] - [ -0.0172637400000000, 0.0028923600000000, 0.0082589800000000 ] - [ -0.0034947900000000, -0.0169299200000000, 0.0084017100000000 ] - [ -0.0000837300000000, 0.0016755400000000, -0.0014028600000000 ] - [ 0.0034947900000000, 0.0169299200000000, 0.0084017100000000 ] - [ 0.0000837300000000, -0.0016755400000000, -0.0014028600000000 ] - [ -0.0014591200000000, 0.0059220700000000, -0.0040646600000000 ] - [ 0.0019366000000000, 0.0008107400000000, -0.0018912600000000 ] - [ -0.0000644300000000, 0.0020543800000000, -0.0009783600000000 ] - [ -0.0052051200000000, -0.0013229900000000, -0.0031775600000000 ] - [ 0.0000644300000000, -0.0020543800000000, -0.0009783600000000 ] - [ 0.0052051200000000, 0.0013229900000000, -0.0031775600000000 ] - [ 0.0014591200000000, -0.0059220700000000, -0.0040646600000000 ] - [ -0.0019366000000000, -0.0008107400000000, -0.0018912600000000 ] - [ 0.0000644300000000, 0.0020543800000000, -0.0009783600000000 ] - [ 0.0052051200000000, -0.0013229900000000, -0.0031775600000000 ] - [ -0.0000644300000000, -0.0020543800000000, -0.0009783600000000 ] - [ -0.0052051200000000, 0.0013229900000000, -0.0031775600000000 ] - [ -0.0014591200000000, -0.0059220700000000, -0.0040646600000000 ] - [ 0.0019366000000000, -0.0008107400000000, -0.0018912600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.3891682600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0051513200000000 ] - [ -0.0000168900000000, -0.0072239900000000, 0.0014358200000000 ] - [ 0.0091748000000000, 0.0019419200000000, 0.0014650200000000 ] - [ 0.0000168900000000, -0.0072239900000000, 0.0014358200000000 ] - [ -0.0091748000000000, 0.0019419200000000, 0.0014650200000000 ] - [ 0.0000168900000000, 0.0072239900000000, 0.0014358200000000 ] - [ -0.0091748000000000, -0.0019419200000000, 0.0014650200000000 ] - [ -0.0000168900000000, 0.0072239900000000, 0.0014358200000000 ] - [ 0.0091748000000000, -0.0019419200000000, 0.0014650200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0177713800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0174371000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015416000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019555300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014973100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019822900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000171400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000250000000000 ] - [ 0.0139929800000000, -0.0118798200000000, -0.0069032400000000 ] - [ 0.0005381000000000, 0.0015785100000000, 0.0047731600000000 ] - [ -0.0139929800000000, 0.0118798200000000, -0.0069032400000000 ] - [ -0.0005381000000000, -0.0015785100000000, 0.0047731600000000 ] - [ 0.0139929800000000, 0.0118798200000000, -0.0069032400000000 ] - [ 0.0005381000000000, -0.0015785100000000, 0.0047731600000000 ] - [ -0.0139929800000000, -0.0118798200000000, -0.0069032400000000 ] - [ -0.0005381000000000, 0.0015785100000000, 0.0047731600000000 ] - [ -0.0432781100000000, 0.0000000000000000, -0.0045756400000000 ] - [ 0.0018180300000000, 0.0000000000000000, 0.0048858900000000 ] - [ 0.0000000000000000, 0.0020619100000000, 0.0046343400000000 ] - [ 0.0000000000000000, -0.0429303300000000, -0.0048883500000000 ] - [ 0.0000000000000000, -0.0020619100000000, 0.0046343400000000 ] - [ 0.0000000000000000, 0.0429303300000000, -0.0048883500000000 ] - [ 0.0432781100000000, 0.0000000000000000, -0.0045756400000000 ] - [ -0.0018180300000000, 0.0000000000000000, 0.0048858900000000 ]- atom: 71 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0639979500000000, 0.0396294300000000, 0.0453818300000000 ] - [ 0.0019362900000000, -0.0007180500000000, 0.0048044400000000 ] - [ -0.0000372500000000, 0.0006134300000000, 0.0009726700000000 ] - [ 0.0009561600000000, 0.0010640600000000, -0.0014525800000000 ] - [ 0.0005014900000000, 0.0008469100000000, 0.0003536500000000 ] - [ -0.0005828600000000, 0.0008347400000000, -0.0009529500000000 ] - [ -0.0050105700000000, -0.0010208900000000, 0.0007483200000000 ] - [ 0.0005046400000000, -0.0009199100000000, -0.0011077500000000 ] - [ 0.0003294200000000, 0.0009261900000000, 0.0007857700000000 ] - [ -0.0007013900000000, 0.0009019800000000, -0.0002934200000000 ] - [ -0.0001826100000000, 0.0010780600000000, 0.0010874400000000 ] - [ 0.0007002600000000, 0.0009313700000000, -0.0005723000000000 ] - [ 0.1241856000000000, 0.0362089400000000, -0.0818935000000000 ] - [ 0.0002019400000000, -0.0003392900000000, -0.0031524100000000 ] - [ -0.0026270100000000, -0.0002530900000000, 0.0030121400000000 ] - [ 0.0000362800000000, -0.0012124000000000, -0.0023159300000000 ] - [ -0.0020480800000000, -0.0000076700000000, 0.0004673200000000 ] - [ -0.0032542600000000, 0.0001698100000000, 0.0002279100000000 ] - [ -0.0017231000000000, 0.0011328000000000, -0.0003546700000000 ] - [ -0.0004192900000000, -0.0007586300000000, -0.0005396300000000 ] - [ 0.0010568700000000, -0.0110711700000000, 0.0043393100000000 ] - [ -0.0006169200000000, -0.0060730400000000, -0.0021805300000000 ] - [ -0.0060764800000000, -0.0008276000000000, -0.0010804900000000 ] - [ -0.0097767300000000, -0.0005019000000000, 0.0013237300000000 ] - [ 0.0051569000000000, -0.0006579700000000, -0.0008227600000000 ] - [ 0.0045986100000000, -0.0007364600000000, -0.0032156400000000 ] - [ 0.0002698300000000, -0.0007970500000000, -0.0009574700000000 ] - [ 0.0004149000000000, 0.0000565200000000, 0.0002984800000000 ] - [ -0.0033809000000000, -0.0106031200000000, -0.0092041900000000 ] - [ 0.0004222900000000, 0.0002656400000000, 0.0007652600000000 ] - [ -0.0013438700000000, -0.0003973600000000, 0.0005728800000000 ] - [ -0.0034130600000000, -0.0014774200000000, -0.0035777200000000 ] - [ 0.0577097900000000, -0.0507266400000000, 0.0076424700000000 ] - [ 0.0005487800000000, 0.0016131600000000, -0.0007168200000000 ] - [ -0.0032036100000000, 0.0011599200000000, -0.0003623200000000 ] - [ -0.0030206900000000, 0.0001505800000000, -0.0005331300000000 ] - [ -0.0039471800000000, 0.0190377900000000, -0.0055188300000000 ] - [ 0.0003500300000000, -0.0002248300000000, 0.0000038400000000 ] - [ -0.0011224000000000, 0.0005471500000000, 0.0003574200000000 ] - [ -0.0019660600000000, -0.0012874200000000, -0.0001578200000000 ] - [ 0.0211160200000000, 0.0018367900000000, -0.0115522800000000 ] - [ 0.0076913800000000, 0.0008569200000000, -0.0018801600000000 ] - [ -0.0051091300000000, 0.0009973600000000, -0.0023752900000000 ] - [ -0.0003325500000000, -0.0000314800000000, 0.0004901100000000 ] - [ 0.0011550400000000, 0.0021712800000000, -0.0013310500000000 ] - [ 0.0006343900000000, 0.0007143800000000, -0.0000679600000000 ] - [ -0.0224825200000000, 0.0013221800000000, -0.0118639000000000 ] - [ -0.0007876100000000, 0.0000420200000000, 0.0012264900000000 ] - [ 0.0061688200000000, 0.0001486700000000, -0.0027619700000000 ] - [ 0.0020109600000000, -0.0001698200000000, -0.0002866500000000 ] - [ -0.0009108800000000, -0.0001203300000000, 0.0001764200000000 ] - [ -0.0012901500000000, 0.0007769400000000, 0.0000326200000000 ] - [ 0.0008938400000000, 0.0034163500000000, -0.0011220500000000 ] - [ 0.0019591100000000, 0.0075194800000000, 0.0070412600000000 ] - [ -0.0036314800000000, -0.0018573100000000, 0.0013129600000000 ] - [ -0.0002343400000000, 0.0007816200000000, -0.0013265100000000 ] - [ 0.3107354900000000, -0.0489047100000000, 0.0369356000000000 ] - [ 0.0020781400000000, 0.0003000000000000, 0.0004249700000000 ] - [ -0.0029078000000000, 0.0009077900000000, 0.0016075400000000 ] - [ 0.0000944200000000, -0.0001661300000000, -0.0003024700000000 ] - [ 0.0013631800000000, 0.0026544100000000, 0.0010364600000000 ] - [ 0.0004868900000000, -0.0005661000000000, -0.0004387800000000 ] - [ -0.0131941900000000, -0.0006488800000000, 0.0025233200000000 ] - [ 0.0001714100000000, 0.0002344400000000, -0.0007138500000000 ] - [ 0.0045716700000000, 0.0016444800000000, 0.0023028600000000 ] - [ 0.0010227500000000, 0.0000106700000000, 0.0002636600000000 ] - [ -0.0013305900000000, 0.0004800800000000, 0.0005260800000000 ] - [ -0.0002843200000000, -0.0009335500000000, -0.0013194700000000 ] - [ -0.0014559500000000, 0.0009226800000000, -0.0009906300000000 ] - [ -0.0018446300000000, 0.0081861400000000, 0.0082004800000000 ] - [ -0.6005042800000000, 0.0317513700000000, -0.0314928800000000 ] - [ -0.0016843700000000, -0.0011365200000000, 0.0009484400000000 ] - [ 0.0143202700000000, 0.0026092800000000, -0.0039876500000000 ] - [ -0.0010436900000000, 0.0008429700000000, 0.0026918700000000 ] - [ 0.0029242500000000, -0.0014206400000000, -0.0019021800000000 ] - [ -0.0010959700000000, -0.0005457600000000, 0.0017160100000000 ] - [ -0.0056086500000000, -0.0026073700000000, -0.0020721000000000 ] - [ -0.0004152400000000, -0.0008440200000000, 0.0009939500000000 ] - [ 0.0017103700000000, 0.0059044900000000, -0.0019537800000000 ] - [ -0.0003338500000000, 0.0000166000000000, 0.0006232700000000 ] - [ 0.0024354500000000, -0.0052795600000000, -0.0044923200000000 ] - [ -0.0004309400000000, -0.0003228300000000, 0.0016223000000000 ] - [ 0.0022337700000000, -0.0030363900000000, -0.0013618000000000 ] - [ 0.0005229400000000, -0.0001685400000000, 0.0002466600000000 ] - [ 0.0045603200000000, 0.0056178500000000, 0.0000929200000000 ] - [ 0.0006410500000000, 0.0001969300000000, 0.0003229900000000 ] - [ -0.0012433300000000, 0.0017977600000000, 0.0255623600000000 ] - [ -0.0182928200000000, 0.0065801400000000, -0.0444905100000000 ] - [ 0.0015110100000000, -0.0005151900000000, -0.0001745800000000 ] - [ 0.0057806000000000, -0.0022688800000000, 0.0006836900000000 ] - [ 0.0001508800000000, 0.0018851300000000, -0.0002044700000000 ] - [ -0.0024286600000000, 0.0045590800000000, -0.0010835400000000 ] - [ 0.0057829000000000, 0.0013232700000000, -0.0000445600000000 ] - [ 0.0192785000000000, 0.0013364200000000, 0.0017557700000000 ] - [ -0.0034691200000000, -0.0122540100000000, 0.0066457000000000 ] - [ -0.0026358800000000, -0.0045189900000000, -0.0016926100000000 ] - [ -0.0016100900000000, -0.0119643900000000, 0.0043682600000000 ] - [ -0.0016731300000000, 0.0001020600000000, 0.0004889200000000 ] - [ 0.0570122300000000, -0.0164162600000000, 0.0672699800000000 ] - [ -0.0032792800000000, -0.0005840500000000, 0.0000374900000000 ] - [ 0.0057955700000000, -0.0000825000000000, -0.0015932900000000 ] - [ 0.0053081100000000, 0.0003596300000000, 0.0025259000000000 ]- atom: 71 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0656361900000000, -0.0418842100000000, -0.0462719400000000 ] - [ -0.0043092300000000, -0.0012746000000000, -0.0054375600000000 ] - [ 0.0024321300000000, 0.0013821100000000, -0.0016856400000000 ] - [ 0.0014329200000000, 0.0009250200000000, 0.0007538200000000 ] - [ -0.0024934400000000, 0.0015424400000000, 0.0003357500000000 ] - [ -0.0014078200000000, 0.0015548500000000, 0.0016724400000000 ] - [ 0.0070455300000000, -0.0013641000000000, -0.0000947700000000 ] - [ 0.0014903800000000, -0.0014764900000000, 0.0018413700000000 ] - [ -0.0027217700000000, 0.0010758600000000, -0.0014994400000000 ] - [ -0.0016871700000000, 0.0010875400000000, -0.0004102400000000 ] - [ 0.0021772000000000, 0.0013109500000000, -0.0003987900000000 ] - [ 0.0012926900000000, 0.0014619700000000, 0.0012989700000000 ] - [ -0.1279039600000000, -0.0403309400000000, 0.0872573500000000 ] - [ -0.0021891400000000, -0.0020549200000000, 0.0038550200000000 ] - [ 0.0050343700000000, -0.0017426700000000, -0.0037120500000000 ] - [ 0.0023555200000000, -0.0007759500000000, 0.0016231400000000 ] - [ 0.0020342700000000, 0.0005973100000000, 0.0005256700000000 ] - [ 0.0032556400000000, 0.0004173200000000, 0.0007612300000000 ] - [ 0.0023170700000000, -0.0011357400000000, -0.0006437900000000 ] - [ 0.0010091100000000, 0.0007677000000000, -0.0004444300000000 ] - [ -0.0016501100000000, 0.0109920700000000, -0.0053357100000000 ] - [ 0.0000233000000000, 0.0060184800000000, 0.0011849400000000 ] - [ 0.0060664400000000, 0.0002333100000000, 0.0021125300000000 ] - [ 0.0097590000000000, -0.0000874000000000, -0.0003560700000000 ] - [ -0.0053970600000000, 0.0006424900000000, -0.0001054700000000 ] - [ -0.0048569800000000, 0.0007383900000000, 0.0022697800000000 ] - [ -0.0002666000000000, 0.0010463300000000, 0.0018980400000000 ] - [ -0.0004141200000000, 0.0001957100000000, 0.0006566800000000 ] - [ 0.0033582300000000, 0.0104207200000000, 0.0101289900000000 ] - [ -0.0004223800000000, -0.0005231600000000, 0.0001916900000000 ] - [ 0.0016085400000000, 0.0003930500000000, -0.0015050800000000 ] - [ 0.0036862600000000, 0.0014779500000000, 0.0026377100000000 ] - [ -0.0566635600000000, 0.0501894800000000, -0.0081665200000000 ] - [ -0.0004439700000000, -0.0008846500000000, -0.0001820600000000 ] - [ 0.0032006200000000, -0.0011796200000000, -0.0000729300000000 ] - [ 0.0030063800000000, -0.0001476200000000, 0.0000744300000000 ] - [ 0.0039382400000000, -0.0191572100000000, 0.0059581300000000 ] - [ -0.0003491000000000, 0.0002324800000000, 0.0004626300000000 ] - [ 0.0005609600000000, -0.0008592600000000, -0.0001757600000000 ] - [ 0.0014103400000000, 0.0009793200000000, 0.0003252200000000 ] - [ -0.0215269800000000, -0.0012696200000000, 0.0113751000000000 ] - [ -0.0079985500000000, -0.0002959800000000, 0.0017631100000000 ] - [ 0.0054539700000000, -0.0015590800000000, 0.0022165300000000 ] - [ 0.0006655900000000, -0.0005259600000000, -0.0006474200000000 ] - [ -0.0005886600000000, -0.0018318700000000, 0.0014931700000000 ] - [ -0.0000773000000000, -0.0003915800000000, 0.0002295100000000 ] - [ 0.0229822000000000, -0.0007783600000000, 0.0118058500000000 ] - [ 0.0011187900000000, 0.0005164200000000, -0.0013737000000000 ] - [ -0.0064925500000000, -0.0007111100000000, 0.0025926500000000 ] - [ -0.0023304300000000, -0.0003889100000000, 0.0001242300000000 ] - [ 0.0003491700000000, 0.0004219600000000, 0.0000044800000000 ] - [ 0.0007324300000000, -0.0004699500000000, 0.0001352900000000 ] - [ -0.0003364600000000, -0.0037141700000000, 0.0012907400000000 ] - [ -0.0014051200000000, -0.0077980200000000, -0.0068804900000000 ] - [ 0.0035422300000000, 0.0025834100000000, -0.0022220500000000 ] - [ 0.0001326500000000, -0.0000639600000000, 0.0004236800000000 ] - [ -0.2880429800000000, 0.0443481200000000, -0.0308285600000000 ] - [ -0.0013360000000000, -0.0001994400000000, 0.0005017100000000 ] - [ 0.0021969900000000, -0.0010116600000000, -0.0007162700000000 ] - [ -0.0008189700000000, 0.0000674900000000, 0.0012148200000000 ] - [ -0.0012631100000000, -0.0033764900000000, -0.0019427900000000 ] - [ -0.0003837700000000, -0.0001530300000000, -0.0004594800000000 ] - [ 0.0125079100000000, 0.0007705400000000, -0.0016828100000000 ] - [ -0.0009012800000000, -0.0001364100000000, 0.0016314500000000 ] - [ -0.0038604200000000, -0.0017479900000000, -0.0014143500000000 ] - [ -0.0002965300000000, -0.0001098700000000, 0.0006487200000000 ] - [ 0.0012330500000000, -0.0012159700000000, -0.0014440500000000 ] - [ 0.0001837700000000, 0.0002137900000000, 0.0004153900000000 ] - [ 0.0014592200000000, -0.0009118700000000, 0.0009665800000000 ] - [ 0.0018403100000000, -0.0081828800000000, -0.0081981600000000 ] - [ 0.5803265200000000, -0.0217937800000000, 0.0214819500000000 ] - [ 0.0036061200000000, 0.0030706800000000, -0.0009819500000000 ] - [ -0.0162926400000000, -0.0006567700000000, 0.0039988300000000 ] - [ -0.0009104100000000, 0.0011139000000000, -0.0027186400000000 ] - [ -0.0048908300000000, -0.0005246900000000, 0.0019213000000000 ] - [ -0.0008586300000000, -0.0014149200000000, -0.0017323800000000 ] - [ 0.0075675700000000, 0.0006573700000000, 0.0020874200000000 ] - [ 0.0023569500000000, -0.0011165900000000, -0.0010108800000000 ] - [ -0.0016788300000000, -0.0058443800000000, 0.0019650900000000 ] - [ 0.0003329400000000, -0.0000164500000000, -0.0006282200000000 ] - [ -0.0024022000000000, 0.0052241000000000, 0.0049224700000000 ] - [ 0.0004314000000000, 0.0003239500000000, -0.0011780800000000 ] - [ -0.0022468100000000, 0.0030758700000000, 0.0009386900000000 ] - [ -0.0005180100000000, 0.0001685400000000, -0.0007016500000000 ] - [ -0.0045978900000000, -0.0057016300000000, -0.0000920400000000 ] - [ -0.0006350000000000, -0.0001952000000000, -0.0003271600000000 ] - [ 0.0033978300000000, 0.0003615800000000, -0.0256099100000000 ] - [ 0.0204431400000000, -0.0044623400000000, 0.0445939300000000 ] - [ -0.0036277500000000, -0.0016165700000000, 0.0001606300000000 ] - [ -0.0079210500000000, 0.0001484000000000, -0.0006705400000000 ] - [ 0.0019802200000000, -0.0039932500000000, 0.0001821000000000 ] - [ 0.0045705900000000, -0.0066523300000000, 0.0010908300000000 ] - [ -0.0079192300000000, 0.0008029800000000, 0.0000000500000000 ] - [ -0.0214984100000000, 0.0007921400000000, -0.0017184000000000 ] - [ 0.0032656900000000, 0.0122528300000000, -0.0064615000000000 ] - [ 0.0024169200000000, 0.0045069300000000, 0.0019426900000000 ] - [ 0.0015914300000000, 0.0122345500000000, -0.0046233800000000 ] - [ 0.0016613700000000, 0.0001175300000000, -0.0007660400000000 ] - [ -0.0569775600000000, 0.0161564700000000, -0.0676200000000000 ] - [ 0.0032805000000000, 0.0003589800000000, -0.0003536100000000 ] - [ -0.0055883000000000, 0.0001045000000000, 0.0018349700000000 ] - [ -0.0050872900000000, -0.0003642800000000, -0.0022767300000000 ]- atom: 71 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0488838500000000, 0.1029466600000000, 0.1590640500000000 ] - [ -0.0038337200000000, -0.0025990200000000, -0.0176960700000000 ] - [ 0.0003203100000000, 0.0007221000000000, 0.0034222600000000 ] - [ 0.0020180600000000, 0.0013549100000000, -0.0041048600000000 ] - [ -0.0020434000000000, 0.0036733800000000, 0.0081452000000000 ] - [ 0.0000553100000000, -0.0008497000000000, -0.0070864500000000 ] - [ 0.0019407700000000, -0.0021533100000000, 0.0053603400000000 ] - [ 0.0002907200000000, -0.0000999000000000, -0.0061634000000000 ] - [ -0.0002390100000000, 0.0000740400000000, 0.0046633000000000 ] - [ -0.0022908600000000, 0.0016999400000000, -0.0068658100000000 ] - [ 0.0012738200000000, 0.0020726500000000, 0.0041259300000000 ] - [ 0.0006374700000000, 0.0003734200000000, -0.0033957100000000 ] - [ -0.1127176700000000, -0.0554461200000000, 0.1690381300000000 ] - [ 0.0005959500000000, 0.0014401300000000, -0.0169997700000000 ] - [ -0.0012780200000000, 0.0000490300000000, 0.0074510700000000 ] - [ 0.0032316100000000, -0.0020470600000000, -0.0077891300000000 ] - [ -0.0039810900000000, -0.0005528700000000, 0.0006660500000000 ] - [ 0.0034979800000000, 0.0014478600000000, 0.0001083700000000 ] - [ 0.0011417700000000, 0.0039764100000000, -0.0003268000000000 ] - [ -0.0008575700000000, -0.0035016100000000, -0.0008789000000000 ] - [ -0.0003558300000000, 0.0212183300000000, -0.0075473900000000 ] - [ -0.0011241500000000, -0.0175962600000000, -0.0055798600000000 ] - [ -0.0212943500000000, -0.0002188500000000, -0.0065512900000000 ] - [ 0.0174847400000000, 0.0005417900000000, -0.0045897600000000 ] - [ 0.0033794500000000, 0.0022577300000000, -0.0011665700000000 ] - [ -0.0018321700000000, -0.0011501000000000, -0.0020060200000000 ] - [ -0.0003240400000000, -0.0002041100000000, 0.0014936800000000 ] - [ 0.0006985300000000, 0.0007822000000000, -0.0011186200000000 ] - [ -0.0022700100000000, -0.0036316800000000, -0.0002193000000000 ] - [ 0.0011453600000000, 0.0015696500000000, -0.0010573900000000 ] - [ 0.0004659500000000, 0.0003245400000000, 0.0005512200000000 ] - [ -0.0005190000000000, -0.0006985800000000, -0.0020635600000000 ] - [ 0.0092470900000000, -0.0556611700000000, 0.0560443100000000 ] - [ -0.0008286800000000, 0.0034770700000000, -0.0070424700000000 ] - [ -0.0069226600000000, 0.0016622100000000, 0.0007366400000000 ] - [ 0.0034363400000000, -0.0007926800000000, -0.0023936100000000 ] - [ -0.0016611700000000, 0.0069085200000000, 0.0012025300000000 ] - [ 0.0007896600000000, -0.0034329800000000, -0.0019319200000000 ] - [ -0.0013609800000000, 0.0023435700000000, 0.0008680200000000 ] - [ 0.0005208100000000, -0.0034832800000000, -0.0013708800000000 ] - [ -0.0126640200000000, 0.0015761700000000, -0.0015172300000000 ] - [ 0.0159554400000000, 0.0004215400000000, -0.0136547700000000 ] - [ 0.0000592500000000, 0.0003135200000000, -0.0003695200000000 ] - [ -0.0003886500000000, -0.0005238400000000, -0.0000813300000000 ] - [ -0.0002892100000000, 0.0010578500000000, -0.0013376200000000 ] - [ 0.0006722500000000, 0.0004648500000000, 0.0004412600000000 ] - [ -0.0007750500000000, 0.0008495100000000, -0.0015263600000000 ] - [ -0.0001588400000000, -0.0001127800000000, 0.0002719700000000 ] - [ -0.0026538700000000, 0.0008004300000000, 0.0006915600000000 ] - [ 0.0031718700000000, -0.0010807800000000, -0.0015395500000000 ] - [ -0.0008750800000000, 0.0002593600000000, -0.0001999000000000 ] - [ -0.0000352100000000, 0.0007057600000000, 0.0000859300000000 ] - [ -0.0010007000000000, 0.0123599900000000, -0.0013186100000000 ] - [ 0.0001484700000000, -0.0162560200000000, -0.0135580900000000 ] - [ -0.0014949200000000, -0.0028273800000000, 0.0037792800000000 ] - [ 0.0008505700000000, 0.0024856900000000, -0.0038424600000000 ] - [ 0.0551601400000000, -0.0090524200000000, 0.0560506100000000 ] - [ -0.0027458000000000, 0.0009292600000000, -0.0061347600000000 ] - [ -0.0026643000000000, 0.0009152600000000, 0.0034583400000000 ] - [ 0.0018375000000000, -0.0008319400000000, -0.0024674400000000 ] - [ 0.0012675600000000, 0.0062761100000000, 0.0050054100000000 ] - [ -0.0008461600000000, -0.0038087500000000, -0.0057835900000000 ] - [ -0.0069927000000000, -0.0011678000000000, 0.0059093600000000 ] - [ 0.0030715700000000, 0.0009446600000000, -0.0048742000000000 ] - [ 0.0035535200000000, 0.0013984400000000, 0.0046847300000000 ] - [ -0.0017583300000000, -0.0009501400000000, -0.0029332000000000 ] - [ -0.0010124200000000, 0.0019351400000000, 0.0025496100000000 ] - [ 0.0007343700000000, -0.0025659900000000, -0.0033770100000000 ] - [ -0.0036767700000000, -0.0016784500000000, 0.0014476300000000 ] - [ 0.0016860300000000, 0.0036862700000000, 0.0014530900000000 ] - [ -0.0187678000000000, 0.0340725000000000, -0.5541068700000000 ] - [ 0.0019332100000000, 0.0000041200000000, 0.0191783500000000 ] - [ 0.0030148300000000, 0.0030588900000000, -0.0122262100000000 ] - [ -0.0036809100000000, -0.0000287200000000, 0.0104144900000000 ] - [ 0.0009336200000000, -0.0028901900000000, -0.0061750100000000 ] - [ -0.0027014900000000, 0.0007483300000000, 0.0061449400000000 ] - [ -0.0011018200000000, -0.0049742100000000, -0.0122205800000000 ] - [ 0.0019761400000000, 0.0017322400000000, 0.0104134200000000 ] - [ -0.0007352300000000, 0.0007336800000000, -0.0033001700000000 ] - [ 0.0001168800000000, -0.0001161400000000, 0.0021563500000000 ] - [ -0.0023273700000000, 0.0006846800000000, -0.0029011400000000 ] - [ 0.0004392600000000, -0.0005006700000000, 0.0026010700000000 ] - [ -0.0007004900000000, 0.0023466700000000, -0.0033518300000000 ] - [ 0.0005001800000000, -0.0004384500000000, 0.0021506900000000 ] - [ 0.0005969700000000, -0.0006357500000000, -0.0068132200000000 ] - [ 0.0000497800000000, -0.0000473300000000, 0.0027879500000000 ] - [ 0.0144610700000000, 0.0036426800000000, 0.0868904600000000 ] - [ -0.0017110800000000, -0.0124556500000000, 0.0871155100000000 ] - [ 0.0021084800000000, 0.0010721700000000, 0.0001058200000000 ] - [ -0.0031979600000000, -0.0042285500000000, 0.0001127500000000 ] - [ 0.0015681500000000, 0.0098189500000000, 0.0012818000000000 ] - [ 0.0004192200000000, -0.0147781000000000, 0.0017221900000000 ] - [ 0.0126820200000000, 0.0017111600000000, 0.0017249900000000 ] - [ -0.0118826600000000, 0.0005558400000000, 0.0013259100000000 ] - [ 0.0047229400000000, -0.0248184800000000, 0.0037145200000000 ] - [ 0.0003710100000000, 0.0101104800000000, 0.0143220800000000 ] - [ 0.0013310200000000, -0.0053829400000000, -0.0052122100000000 ] - [ -0.0020341700000000, 0.0025534300000000, 0.0055221200000000 ] - [ 0.0249565000000000, -0.0049698600000000, 0.0034578700000000 ] - [ -0.0100644500000000, -0.0005959600000000, 0.0140311200000000 ] - [ 0.0056042600000000, -0.0013338300000000, -0.0049590100000000 ] - [ -0.0023377800000000, 0.0020287000000000, 0.0057831400000000 ]- atom: 79 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0015804400000000, -0.0020868300000000, -0.0016214600000000 ] - [ -0.0011451300000000, -0.0010288300000000, -0.0002564400000000 ] - [ 0.0008046700000000, -0.0001124900000000, 0.0009066400000000 ] - [ 0.0012381000000000, 0.0009528300000000, -0.0004587400000000 ] - [ -0.0014548700000000, 0.0020946900000000, 0.0018258700000000 ] - [ -0.0009485100000000, 0.0012315300000000, 0.0000414300000000 ] - [ 0.0005301200000000, -0.0002805300000000, -0.0011186000000000 ] - [ 0.0010358300000000, -0.0011532000000000, 0.0006798000000000 ] - [ -0.0015804400000000, 0.0020868300000000, -0.0016214600000000 ] - [ -0.0011451300000000, 0.0010288300000000, -0.0002564400000000 ] - [ 0.0005301200000000, 0.0002805300000000, -0.0011186000000000 ] - [ 0.0010358300000000, 0.0011532000000000, 0.0006798000000000 ] - [ -0.0014548700000000, -0.0020946900000000, 0.0018258700000000 ] - [ -0.0009485100000000, -0.0012315300000000, 0.0000414300000000 ] - [ 0.0008046700000000, 0.0001124900000000, 0.0009066400000000 ] - [ 0.0012381000000000, -0.0009528300000000, -0.0004587400000000 ] - [ -0.0017541100000000, 0.0002927800000000, 0.0004940400000000 ] - [ -0.0009872800000000, 0.0002920400000000, 0.0004934500000000 ] - [ 0.0002459500000000, 0.0000000000000000, -0.0007400800000000 ] - [ 0.0001050000000000, 0.0000000000000000, -0.0002945100000000 ] - [ -0.0003399600000000, 0.0000000000000000, -0.0002486600000000 ] - [ -0.0004791800000000, 0.0000000000000000, -0.0006918200000000 ] - [ -0.0017541100000000, -0.0002927800000000, 0.0004940400000000 ] - [ -0.0009872800000000, -0.0002920400000000, 0.0004934500000000 ] - [ 0.0047177000000000, 0.0000000000000000, 0.0051793000000000 ] - [ 0.0001551600000000, 0.0000000000000000, -0.0003100300000000 ] - [ 0.0013611500000000, 0.0001371100000000, 0.0004555300000000 ] - [ 0.0008934900000000, 0.0001283000000000, 0.0004714000000000 ] - [ 0.0013611500000000, -0.0001371100000000, 0.0004555300000000 ] - [ 0.0008934900000000, -0.0001283000000000, 0.0004714000000000 ] - [ 0.0050625900000000, 0.0000000000000000, -0.0062907100000000 ] - [ 0.0004315300000000, 0.0000000000000000, -0.0006215000000000 ] - [ -0.0022475900000000, -0.0018336700000000, -0.0013330900000000 ] - [ 0.0000775500000000, 0.0003497500000000, -0.0004254300000000 ] - [ -0.0047313000000000, 0.0000000000000000, -0.0002306700000000 ] - [ -0.0008823700000000, 0.0000000000000000, -0.0002312700000000 ] - [ 0.0006018800000000, 0.0000000000000000, 0.0002311100000000 ] - [ 0.0002019900000000, 0.0000000000000000, 0.0002313700000000 ] - [ -0.0008599200000000, 0.0012183900000000, 0.0010412000000000 ] - [ -0.0004384900000000, -0.0001063400000000, -0.0003738600000000 ] - [ 0.0006580000000000, 0.0002928700000000, -0.0002826600000000 ] - [ 0.0004623900000000, 0.0002127200000000, -0.0005520200000000 ] - [ 0.0009968500000000, -0.0002693900000000, 0.0001196300000000 ] - [ 0.0007923100000000, -0.0003516300000000, 0.0003884400000000 ] - [ -0.0002934600000000, 0.0015307000000000, -0.0008618000000000 ] - [ 0.0001260800000000, 0.0002127200000000, 0.0005409600000000 ] - [ 0.0009968500000000, 0.0002693900000000, 0.0001196300000000 ] - [ 0.0007923100000000, 0.0003516300000000, 0.0003884400000000 ] - [ 0.0006580000000000, -0.0002928700000000, -0.0002826600000000 ] - [ 0.0004623900000000, -0.0002127200000000, -0.0005520200000000 ] - [ -0.0008599200000000, -0.0012183900000000, 0.0010412000000000 ] - [ -0.0004384900000000, 0.0001063400000000, -0.0003738600000000 ] - [ -0.0002934600000000, -0.0015307000000000, -0.0008618000000000 ] - [ 0.0001260800000000, -0.0002127200000000, 0.0005409600000000 ] - [ -0.0023480300000000, 0.0025818900000000, 0.0004208000000000 ] - [ -0.0000322000000000, 0.0003753600000000, -0.0004815300000000 ] - [ 0.0013032000000000, -0.0017918700000000, 0.0014934100000000 ] - [ 0.0006024200000000, 0.0000352300000000, 0.0005493700000000 ] - [ 0.0006067600000000, -0.0019032000000000, -0.0005944900000000 ] - [ -0.0001193100000000, -0.0000756400000000, 0.0003562600000000 ] - [ -0.0022475900000000, 0.0018336700000000, -0.0013330900000000 ] - [ 0.0000775500000000, -0.0003497500000000, -0.0004254300000000 ] - [ 0.0006067600000000, 0.0019032000000000, -0.0005944900000000 ] - [ -0.0001193100000000, 0.0000756400000000, 0.0003562600000000 ] - [ 0.0013032000000000, 0.0017918700000000, 0.0014934100000000 ] - [ 0.0006024200000000, -0.0000352300000000, 0.0005493700000000 ] - [ -0.0023480300000000, -0.0025818900000000, 0.0004208000000000 ] - [ -0.0000322000000000, -0.0003753600000000, -0.0004815300000000 ] - [ -0.0061213800000000, 0.0000000000000000, 0.0000193300000000 ] - [ -0.0034221400000000, 0.0000000000000000, -0.0000385600000000 ] - [ 0.0026834800000000, 0.0068268500000000, -0.0007284700000000 ] - [ 0.0006455000000000, 0.0009972100000000, 0.0001137500000000 ] - [ 0.0007050600000000, -0.0049222800000000, 0.0007409500000000 ] - [ -0.0013159100000000, 0.0009636200000000, -0.0001184600000000 ] - [ 0.0007050600000000, 0.0049222800000000, 0.0007409500000000 ] - [ -0.0013159100000000, -0.0009636200000000, -0.0001184600000000 ] - [ 0.0026834800000000, -0.0068268500000000, -0.0007284700000000 ] - [ 0.0006455000000000, -0.0009972100000000, 0.0001137500000000 ] - [ -0.0113630900000000, 0.0000000000000000, 0.0002808800000000 ] - [ -0.0001326900000000, 0.0000000000000000, -0.0000006900000000 ] - [ -0.0005115400000000, 0.0000000000000000, 0.0002256900000000 ] - [ -0.0000795200000000, 0.0000000000000000, 0.0002236700000000 ] - [ 0.0013924100000000, 0.0000000000000000, -0.0002223400000000 ] - [ 0.0002689300000000, 0.0000000000000000, -0.0002256600000000 ] - [ 0.0004947500000000, 0.0000000000000000, 0.0000004100000000 ] - [ 0.0001562600000000, 0.0000000000000000, -0.0000004200000000 ] - [ 0.0020443200000000, 0.0021372500000000, 0.0012740300000000 ] - [ 0.0013908600000000, 0.0015072300000000, -0.0012580600000000 ] - [ -0.0000842100000000, 0.0000141900000000, -0.0012805200000000 ] - [ -0.0007477600000000, -0.0006138300000000, 0.0012636300000000 ] - [ 0.0020443200000000, -0.0021372500000000, 0.0012740300000000 ] - [ 0.0013908600000000, -0.0015072300000000, -0.0012580600000000 ] - [ -0.0000842100000000, -0.0000141900000000, -0.0012805200000000 ] - [ -0.0007477600000000, 0.0006138300000000, 0.0012636300000000 ] - [ 0.0092552600000000, 0.0000000000000000, 0.0068629500000000 ] - [ 0.0005882300000000, 0.0000000000000000, -0.0006545200000000 ] - [ -0.0043222800000000, 0.0000790400000000, -0.0001345800000000 ] - [ -0.0012351100000000, 0.0001075000000000, -0.0001325700000000 ] - [ -0.0043222800000000, -0.0000790400000000, -0.0001345800000000 ] - [ -0.0012351100000000, -0.0001075000000000, -0.0001325700000000 ] - [ 0.0095041900000000, 0.0000000000000000, -0.0066835600000000 ] - [ 0.0007943200000000, 0.0000000000000000, 0.0009146700000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0007604600000000, -0.0011625400000000, 0.0010253400000000 ] - [ -0.0013457200000000, -0.0010542100000000, -0.0016272300000000 ] - [ 0.0007604600000000, 0.0011625400000000, 0.0010253400000000 ] - [ 0.0013457200000000, 0.0010542100000000, -0.0016272300000000 ] - [ -0.0008220600000000, 0.0016235400000000, 0.0017522900000000 ] - [ -0.0009260000000000, 0.0010362500000000, -0.0009105100000000 ] - [ 0.0008220600000000, -0.0016235400000000, 0.0017522900000000 ] - [ 0.0009260000000000, -0.0010362500000000, -0.0009105100000000 ] - [ -0.0007604600000000, 0.0011625400000000, 0.0010253400000000 ] - [ -0.0013457200000000, 0.0010542100000000, -0.0016272300000000 ] - [ 0.0008220600000000, 0.0016235400000000, 0.0017522900000000 ] - [ 0.0009260000000000, 0.0010362500000000, -0.0009105100000000 ] - [ -0.0008220600000000, -0.0016235400000000, 0.0017522900000000 ] - [ -0.0009260000000000, -0.0010362500000000, -0.0009105100000000 ] - [ 0.0007604600000000, -0.0011625400000000, 0.0010253400000000 ] - [ 0.0013457200000000, -0.0010542100000000, -0.0016272300000000 ] - [ 0.0000000000000000, 0.0006150300000000, 0.0006061100000000 ] - [ 0.0000000000000000, 0.0002471500000000, 0.0003159200000000 ] - [ -0.0000307400000000, 0.0000000000000000, -0.0003788200000000 ] - [ 0.0003357500000000, 0.0000000000000000, -0.0006719700000000 ] - [ 0.0000307400000000, 0.0000000000000000, -0.0003788200000000 ] - [ -0.0003357500000000, 0.0000000000000000, -0.0006719700000000 ] - [ 0.0000000000000000, -0.0006150300000000, 0.0006061100000000 ] - [ 0.0000000000000000, -0.0002471500000000, 0.0003159200000000 ] - [ -0.0009749200000000, 0.0000000000000000, 0.0093014200000000 ] - [ 0.0020495500000000, 0.0000000000000000, -0.0027477000000000 ] - [ 0.0000000000000000, -0.0004436700000000, 0.0107486500000000 ] - [ 0.0000000000000000, 0.0023015600000000, -0.0017926900000000 ] - [ 0.0000000000000000, 0.0004436700000000, 0.0107486500000000 ] - [ 0.0000000000000000, -0.0023015600000000, -0.0017926900000000 ] - [ 0.0009749200000000, 0.0000000000000000, 0.0093014200000000 ] - [ -0.0020495500000000, 0.0000000000000000, -0.0027477000000000 ] - [ -0.0000301200000000, -0.0015916800000000, 0.0019803100000000 ] - [ -0.0000792000000000, 0.0011446400000000, -0.0015227100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002255000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007409400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006978900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002783400000000 ] - [ 0.0004562700000000, -0.0022785900000000, -0.0008171700000000 ] - [ -0.0006704500000000, -0.0000592300000000, -0.0000918100000000 ] - [ 0.0019522900000000, 0.0010260600000000, -0.0009897500000000 ] - [ -0.0002619600000000, -0.0001030000000000, -0.0002622800000000 ] - [ -0.0019522900000000, -0.0010260600000000, -0.0009897500000000 ] - [ 0.0002619600000000, 0.0001030000000000, -0.0002622800000000 ] - [ -0.0004562700000000, 0.0022785900000000, -0.0008171700000000 ] - [ 0.0006704500000000, 0.0000592300000000, -0.0000918100000000 ] - [ -0.0019522900000000, 0.0010260600000000, -0.0009897500000000 ] - [ 0.0002619600000000, -0.0001030000000000, -0.0002622800000000 ] - [ 0.0019522900000000, -0.0010260600000000, -0.0009897500000000 ] - [ -0.0002619600000000, 0.0001030000000000, -0.0002622800000000 ] - [ 0.0004562700000000, 0.0022785900000000, -0.0008171700000000 ] - [ -0.0006704500000000, 0.0000592300000000, -0.0000918100000000 ] - [ -0.0004562700000000, -0.0022785900000000, -0.0008171700000000 ] - [ 0.0006704500000000, -0.0000592300000000, -0.0000918100000000 ] - [ 0.0000301200000000, -0.0015916800000000, 0.0019803100000000 ] - [ 0.0000792000000000, 0.0011446400000000, -0.0015227100000000 ] - [ 0.0023160700000000, 0.0001313700000000, 0.0029032700000000 ] - [ -0.0004192500000000, 0.0001915100000000, -0.0006140900000000 ] - [ -0.0023160700000000, -0.0001313700000000, 0.0029032700000000 ] - [ 0.0004192500000000, -0.0001915100000000, -0.0006140900000000 ] - [ -0.0000301200000000, 0.0015916800000000, 0.0019803100000000 ] - [ -0.0000792000000000, -0.0011446400000000, -0.0015227100000000 ] - [ -0.0023160700000000, 0.0001313700000000, 0.0029032700000000 ] - [ 0.0004192500000000, 0.0001915100000000, -0.0006140900000000 ] - [ 0.0023160700000000, -0.0001313700000000, 0.0029032700000000 ] - [ -0.0004192500000000, -0.0001915100000000, -0.0006140900000000 ] - [ 0.0000301200000000, 0.0015916800000000, 0.0019803100000000 ] - [ 0.0000792000000000, -0.0011446400000000, -0.0015227100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0174472900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0177615300000000 ] - [ -0.0009691500000000, 0.0029502500000000, -0.0032996800000000 ] - [ 0.0016051200000000, 0.0003530000000000, 0.0021555600000000 ] - [ 0.0009691500000000, 0.0029502500000000, -0.0032996800000000 ] - [ -0.0016051200000000, 0.0003530000000000, 0.0021555600000000 ] - [ 0.0009691500000000, -0.0029502500000000, -0.0032996800000000 ] - [ -0.0016051200000000, -0.0003530000000000, 0.0021555600000000 ] - [ -0.0009691500000000, -0.0029502500000000, -0.0032996800000000 ] - [ 0.0016051200000000, -0.0003530000000000, 0.0021555600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0725073400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010468700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004935300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008983400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009465900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004494200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004466100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004315200000000 ] - [ 0.0014176300000000, 0.0029629500000000, 0.0001987500000000 ] - [ -0.0008367600000000, 0.0007029400000000, 0.0001905200000000 ] - [ -0.0014176300000000, -0.0029629500000000, 0.0001987500000000 ] - [ 0.0008367600000000, -0.0007029400000000, 0.0001905200000000 ] - [ 0.0014176300000000, -0.0029629500000000, 0.0001987500000000 ] - [ -0.0008367600000000, -0.0007029400000000, 0.0001905200000000 ] - [ -0.0014176300000000, 0.0029629500000000, 0.0001987500000000 ] - [ 0.0008367600000000, 0.0007029400000000, 0.0001905200000000 ] - [ 0.0097748600000000, 0.0000000000000000, -0.0007038500000000 ] - [ -0.0020818700000000, 0.0000000000000000, 0.0023308700000000 ] - [ 0.0000000000000000, 0.0100221900000000, -0.0009910500000000 ] - [ 0.0000000000000000, -0.0018551900000000, 0.0020690000000000 ] - [ 0.0000000000000000, -0.0100221900000000, -0.0009910500000000 ] - [ 0.0000000000000000, 0.0018551900000000, 0.0020690000000000 ] - [ -0.0097748600000000, 0.0000000000000000, -0.0007038500000000 ] - [ 0.0020818700000000, 0.0000000000000000, 0.0023308700000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0028540500000000, 0.0007656900000000, -0.0011721800000000 ] - [ -0.0011452000000000, -0.0009872900000000, -0.0003831000000000 ] - [ -0.0004755300000000, 0.0027682700000000, 0.0004545600000000 ] - [ 0.0012393300000000, 0.0009951700000000, -0.0003320900000000 ] - [ -0.0015366800000000, 0.0011720700000000, 0.0017532500000000 ] - [ -0.0009936300000000, 0.0009954200000000, -0.0003213200000000 ] - [ 0.0004505800000000, -0.0012147100000000, -0.0010437100000000 ] - [ 0.0009931200000000, -0.0013918500000000, 0.0010450100000000 ] - [ -0.0028540500000000, -0.0007656900000000, -0.0011721800000000 ] - [ -0.0011452000000000, 0.0009872900000000, -0.0003831000000000 ] - [ 0.0004505800000000, 0.0012147100000000, -0.0010437100000000 ] - [ 0.0009931200000000, 0.0013918500000000, 0.0010450100000000 ] - [ -0.0015366800000000, -0.0011720700000000, 0.0017532500000000 ] - [ -0.0009936300000000, -0.0009954200000000, -0.0003213200000000 ] - [ -0.0004755300000000, -0.0027682700000000, 0.0004545600000000 ] - [ 0.0012393300000000, -0.0009951700000000, -0.0003320900000000 ] - [ -0.0035728300000000, 0.0002940700000000, 0.0004950200000000 ] - [ -0.0008145600000000, 0.0002929700000000, 0.0004935500000000 ] - [ 0.0002183400000000, 0.0000000000000000, -0.0007906000000000 ] - [ -0.0006619200000000, 0.0000000000000000, 0.0002396500000000 ] - [ -0.0003673800000000, 0.0000000000000000, -0.0001984000000000 ] - [ -0.0012412200000000, 0.0000000000000000, -0.0012186400000000 ] - [ -0.0035728300000000, -0.0002940700000000, 0.0004950200000000 ] - [ -0.0008145600000000, -0.0002929700000000, 0.0004935500000000 ] - [ 0.0003462900000000, 0.0000000000000000, -0.0006569200000000 ] - [ 0.0000555900000000, 0.0000000000000000, -0.0005401900000000 ] - [ 0.0003591800000000, 0.0001297200000000, 0.0004712000000000 ] - [ 0.0005258300000000, 0.0001282800000000, 0.0004712400000000 ] - [ 0.0003591800000000, -0.0001297200000000, 0.0004712000000000 ] - [ 0.0005258300000000, -0.0001282800000000, 0.0004712400000000 ] - [ 0.0006191800000000, 0.0000000000000000, -0.0002811500000000 ] - [ 0.0003235700000000, 0.0000000000000000, -0.0003979000000000 ] - [ -0.0003450700000000, 0.0014091300000000, -0.0006016300000000 ] - [ 0.0001037800000000, 0.0004875800000000, -0.0005593000000000 ] - [ -0.0017936700000000, 0.0000000000000000, -0.0002328200000000 ] - [ -0.0004045900000000, 0.0000000000000000, -0.0002310000000000 ] - [ 0.0017188300000000, 0.0000000000000000, 0.0002367600000000 ] - [ 0.0008182200000000, 0.0000000000000000, 0.0002276800000000 ] - [ -0.0005681500000000, -0.0007261800000000, 0.0001508000000000 ] - [ -0.0003122700000000, -0.0003184600000000, -0.0000768000000000 ] - [ 0.0005833200000000, 0.0002383700000000, -0.0002496700000000 ] - [ 0.0015325900000000, 0.0011064000000000, -0.0023874400000000 ] - [ 0.0009169600000000, -0.0003280800000000, 0.0000847700000000 ] - [ 0.0018906900000000, 0.0005283400000000, 0.0022093200000000 ] - [ -0.0000015800000000, -0.0004046200000000, 0.0000241900000000 ] - [ 0.0002525100000000, 0.0000031900000000, 0.0002472600000000 ] - [ 0.0009169600000000, 0.0003280800000000, 0.0000847700000000 ] - [ 0.0018906900000000, -0.0005283400000000, 0.0022093200000000 ] - [ 0.0005833200000000, -0.0002383700000000, -0.0002496700000000 ] - [ 0.0015325900000000, -0.0011064000000000, -0.0023874400000000 ] - [ -0.0005681500000000, 0.0007261800000000, 0.0001508000000000 ] - [ -0.0003122700000000, 0.0003184600000000, -0.0000768000000000 ] - [ -0.0000015800000000, 0.0004046200000000, 0.0000241900000000 ] - [ 0.0002525100000000, -0.0000031900000000, 0.0002472600000000 ] - [ -0.0004495100000000, -0.0006814900000000, -0.0003149700000000 ] - [ -0.0000047500000000, 0.0002372600000000, -0.0003480200000000 ] - [ 0.0012773400000000, 0.0010353100000000, 0.0021464200000000 ] - [ 0.0007437000000000, 0.0000132900000000, 0.0005181700000000 ] - [ 0.0005838900000000, 0.0009077900000000, -0.0012317900000000 ] - [ 0.0000251900000000, -0.0000973000000000, 0.0003858600000000 ] - [ -0.0003450700000000, -0.0014091300000000, -0.0006016300000000 ] - [ 0.0001037800000000, -0.0004875800000000, -0.0005593000000000 ] - [ 0.0005838900000000, -0.0009077900000000, -0.0012317900000000 ] - [ 0.0000251900000000, 0.0000973000000000, 0.0003858600000000 ] - [ 0.0012773400000000, -0.0010353100000000, 0.0021464200000000 ] - [ 0.0007437000000000, -0.0000132900000000, 0.0005181700000000 ] - [ -0.0004495100000000, 0.0006814900000000, -0.0003149700000000 ] - [ -0.0000047500000000, -0.0002372600000000, -0.0003480200000000 ] - [ -0.0009735400000000, 0.0000000000000000, -0.0000010000000000 ] - [ -0.0001894100000000, 0.0000000000000000, -0.0000031800000000 ] - [ 0.0034094900000000, -0.0020628100000000, -0.0023218100000000 ] - [ 0.0005494300000000, 0.0008116900000000, 0.0004362100000000 ] - [ 0.0014276400000000, 0.0040497200000000, 0.0023533300000000 ] - [ -0.0014149200000000, 0.0011487000000000, -0.0004406900000000 ] - [ 0.0014276400000000, -0.0040497200000000, 0.0023533300000000 ] - [ -0.0014149200000000, -0.0011487000000000, -0.0004406900000000 ] - [ 0.0034094900000000, 0.0020628100000000, -0.0023218100000000 ] - [ 0.0005494300000000, -0.0008116900000000, 0.0004362100000000 ] - [ -0.0005114800000000, 0.0000000000000000, 0.0000002200000000 ] - [ -0.0000796200000000, 0.0000000000000000, -0.0000000100000000 ] - [ -0.0036275500000000, 0.0000000000000000, 0.0002329600000000 ] - [ -0.0000879700000000, 0.0000000000000000, 0.0002240600000000 ] - [ 0.0003415700000000, 0.0000000000000000, -0.0002243200000000 ] - [ 0.0002123200000000, 0.0000000000000000, -0.0002254800000000 ] - [ 0.0012802800000000, 0.0000000000000000, 0.0000020000000000 ] - [ 0.0002339200000000, 0.0000000000000000, -0.0000007700000000 ] - [ 0.0052679800000000, -0.0012903000000000, 0.0031771700000000 ] - [ 0.0013470700000000, 0.0008998200000000, -0.0011399100000000 ] - [ 0.0031338700000000, -0.0034418000000000, -0.0032065600000000 ] - [ -0.0007883000000000, -0.0012267300000000, 0.0011433000000000 ] - [ 0.0052679800000000, 0.0012903000000000, 0.0031771700000000 ] - [ 0.0013470700000000, -0.0008998200000000, -0.0011399100000000 ] - [ 0.0031338700000000, 0.0034418000000000, -0.0032065600000000 ] - [ -0.0007883000000000, 0.0012267300000000, 0.0011433000000000 ] - [ 0.0009935100000000, 0.0000000000000000, 0.0005257400000000 ] - [ 0.0000517500000000, 0.0000000000000000, 0.0000406500000000 ] - [ -0.0049161200000000, 0.0001221300000000, -0.0001469300000000 ] - [ -0.0057908400000000, 0.0001168200000000, -0.0001224700000000 ] - [ -0.0049161200000000, -0.0001221300000000, -0.0001469300000000 ] - [ -0.0057908400000000, -0.0001168200000000, -0.0001224700000000 ] - [ 0.0012009200000000, 0.0000000000000000, -0.0002644800000000 ] - [ 0.0002650400000000, 0.0000000000000000, 0.0002166600000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003732500000000, -0.0013591700000000, 0.0003383000000000 ] - [ -0.0010735700000000, -0.0009860500000000, -0.0003301900000000 ] - [ 0.0027505900000000, 0.0006155100000000, -0.0010541000000000 ] - [ 0.0013089600000000, 0.0009960500000000, -0.0003885400000000 ] - [ -0.0021303500000000, 0.0014063400000000, 0.0017429800000000 ] - [ -0.0012550900000000, 0.0010855800000000, -0.0001577100000000 ] - [ -0.0001526300000000, -0.0009749200000000, -0.0010286400000000 ] - [ 0.0007283400000000, -0.0012982600000000, 0.0008768100000000 ] - [ -0.0027505900000000, 0.0006155100000000, -0.0010541000000000 ] - [ -0.0013089600000000, 0.0009960500000000, -0.0003885400000000 ] - [ 0.0021303500000000, 0.0014063400000000, 0.0017429800000000 ] - [ 0.0012550900000000, 0.0010855800000000, -0.0001577100000000 ] - [ 0.0001526300000000, -0.0009749200000000, -0.0010286400000000 ] - [ -0.0007283400000000, -0.0012982600000000, 0.0008768100000000 ] - [ -0.0003732500000000, -0.0013591700000000, 0.0003383000000000 ] - [ 0.0010735700000000, -0.0009860500000000, -0.0003301900000000 ] - [ 0.0000000000000000, 0.0005224600000000, 0.0001658700000000 ] - [ 0.0000000000000000, 0.0004287500000000, 0.0006378900000000 ] - [ 0.0002921200000000, 0.0014143600000000, -0.0004935000000000 ] - [ 0.0002929700000000, 0.0030968400000000, -0.0004947800000000 ] - [ -0.0002921200000000, 0.0014143600000000, -0.0004935000000000 ] - [ -0.0002929700000000, 0.0030968400000000, -0.0004947800000000 ] - [ 0.0000000000000000, -0.0000620000000000, 0.0008217200000000 ] - [ 0.0000000000000000, -0.0001563200000000, 0.0003483700000000 ] - [ -0.0001316500000000, -0.0008986600000000, -0.0004674400000000 ] - [ -0.0001325700000000, -0.0003306700000000, -0.0004696700000000 ] - [ 0.0000000000000000, -0.0008840200000000, 0.0010975200000000 ] - [ 0.0000000000000000, -0.0011665500000000, 0.0003996600000000 ] - [ 0.0000000000000000, -0.0011431900000000, -0.0001592300000000 ] - [ 0.0000000000000000, -0.0014196500000000, 0.0005463300000000 ] - [ 0.0001316500000000, -0.0008986600000000, -0.0004674400000000 ] - [ 0.0001325700000000, -0.0003306700000000, -0.0004696700000000 ] - [ 0.0009503700000000, -0.0013077600000000, 0.0002688200000000 ] - [ 0.0001543400000000, -0.0000643000000000, -0.0002131000000000 ] - [ 0.0000000000000000, -0.0005043800000000, -0.0002325300000000 ] - [ 0.0000000000000000, -0.0001814700000000, -0.0002318100000000 ] - [ 0.0000000000000000, 0.0052396700000000, 0.0002363700000000 ] - [ 0.0000000000000000, 0.0039910400000000, 0.0002273400000000 ] - [ -0.0003957700000000, -0.0015215900000000, -0.0003565600000000 ] - [ -0.0002905600000000, -0.0007283600000000, -0.0002522000000000 ] - [ 0.0005836900000000, 0.0005704200000000, -0.0007791300000000 ] - [ 0.0013521600000000, 0.0001912400000000, 0.0020327000000000 ] - [ 0.0009107400000000, 0.0000028900000000, 0.0006108500000000 ] - [ 0.0016858700000000, -0.0003998900000000, -0.0022145600000000 ] - [ 0.0001734800000000, -0.0012106900000000, 0.0005341400000000 ] - [ 0.0002756800000000, -0.0004069600000000, 0.0004226200000000 ] - [ -0.0005836900000000, 0.0005704200000000, -0.0007791300000000 ] - [ -0.0013521600000000, 0.0001912400000000, 0.0020327000000000 ] - [ -0.0009107400000000, 0.0000028900000000, 0.0006108500000000 ] - [ -0.0016858700000000, -0.0003998900000000, -0.0022145600000000 ] - [ -0.0001734800000000, -0.0012106900000000, 0.0005341400000000 ] - [ -0.0002756800000000, -0.0004069600000000, 0.0004226200000000 ] - [ 0.0003957700000000, -0.0015215900000000, -0.0003565600000000 ] - [ 0.0002905600000000, -0.0007283600000000, -0.0002522000000000 ] - [ -0.0009503700000000, -0.0013077600000000, 0.0002688200000000 ] - [ -0.0001543400000000, -0.0000643000000000, -0.0002131000000000 ] - [ 0.0017900200000000, -0.0004388500000000, -0.0015159000000000 ] - [ 0.0006737800000000, -0.0000364000000000, 0.0010266800000000 ] - [ 0.0010884000000000, -0.0005991700000000, 0.0024439100000000 ] - [ -0.0000469400000000, -0.0001489400000000, -0.0001226700000000 ] - [ -0.0008370100000000, -0.0020393800000000, -0.0011810600000000 ] - [ -0.0000438700000000, -0.0007914700000000, -0.0006959000000000 ] - [ -0.0017900200000000, -0.0004388500000000, -0.0015159000000000 ] - [ -0.0006737800000000, -0.0000364000000000, 0.0010266800000000 ] - [ -0.0010884000000000, -0.0005991700000000, 0.0024439100000000 ] - [ 0.0000469400000000, -0.0001489400000000, -0.0001226700000000 ] - [ 0.0008370100000000, -0.0020393800000000, -0.0011810600000000 ] - [ 0.0000438700000000, -0.0007914700000000, -0.0006959000000000 ] - [ 0.0000000000000000, 0.0024276100000000, -0.0000050600000000 ] - [ 0.0000000000000000, 0.0016043300000000, -0.0000001300000000 ] - [ -0.0042824200000000, 0.0032193500000000, 0.0006956500000000 ] - [ 0.0006582200000000, 0.0015003700000000, -0.0004998700000000 ] - [ 0.0042824200000000, 0.0032193500000000, 0.0006956500000000 ] - [ -0.0006582200000000, 0.0015003700000000, -0.0004998700000000 ] - [ -0.0062216700000000, 0.0012612700000000, -0.0006909200000000 ] - [ -0.0013036700000000, -0.0004595300000000, 0.0004999700000000 ] - [ 0.0062216700000000, 0.0012612700000000, -0.0006909200000000 ] - [ 0.0013036700000000, -0.0004595300000000, 0.0004999700000000 ] - [ 0.0000000000000000, 0.0013924000000000, 0.0000022600000000 ] - [ 0.0000000000000000, 0.0002686900000000, -0.0000001100000000 ] - [ 0.0000000000000000, -0.0073952900000000, 0.0002035600000000 ] - [ 0.0000000000000000, -0.0003154400000000, 0.0002245700000000 ] - [ 0.0000000000000000, 0.0003414000000000, -0.0002244100000000 ] - [ 0.0000000000000000, 0.0002121400000000, -0.0002250000000000 ] - [ 0.0000000000000000, -0.0006798700000000, -0.0000003000000000 ] - [ 0.0000000000000000, -0.0002890700000000, 0.0000001700000000 ] - [ -0.0025478300000000, 0.0001901400000000, -0.0020455100000000 ] - [ 0.0005384100000000, 0.0003805000000000, 0.0010192700000000 ] - [ -0.0046738600000000, -0.0019242600000000, 0.0020442400000000 ] - [ -0.0015903600000000, -0.0017435400000000, -0.0010175000000000 ] - [ 0.0046738600000000, -0.0019242600000000, 0.0020442400000000 ] - [ 0.0015903600000000, -0.0017435400000000, -0.0010175000000000 ] - [ 0.0025478300000000, 0.0001901400000000, -0.0020455100000000 ] - [ -0.0005384100000000, 0.0003805000000000, 0.0010192700000000 ] - [ -0.0001106000000000, 0.0033284600000000, 0.0001266900000000 ] - [ -0.0001065100000000, 0.0011754500000000, 0.0001295000000000 ] - [ 0.0000000000000000, -0.0015139100000000, -0.0080158000000000 ] - [ 0.0000000000000000, -0.0001268300000000, 0.0066505400000000 ] - [ 0.0000000000000000, -0.0017602100000000, 0.0077847500000000 ] - [ 0.0000000000000000, -0.0003622200000000, -0.0069399500000000 ] - [ 0.0001106000000000, 0.0033284600000000, 0.0001266900000000 ] - [ 0.0001065100000000, 0.0011754500000000, 0.0001295000000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0004646600000000, -0.0007059200000000, 0.0026403300000000 ] - [ -0.0015130700000000, -0.0011876400000000, -0.0020985000000000 ] - [ 0.0004646600000000, 0.0007059200000000, 0.0026403300000000 ] - [ 0.0015130700000000, 0.0011876400000000, -0.0020985000000000 ] - [ -0.0002021900000000, 0.0013248800000000, 0.0005696300000000 ] - [ -0.0012824300000000, 0.0009207200000000, -0.0006989500000000 ] - [ 0.0002021900000000, -0.0013248800000000, 0.0005696300000000 ] - [ 0.0012824300000000, -0.0009207200000000, -0.0006989500000000 ] - [ -0.0004646600000000, 0.0007059200000000, 0.0026403300000000 ] - [ -0.0015130700000000, 0.0011876400000000, -0.0020985000000000 ] - [ 0.0002021900000000, 0.0013248800000000, 0.0005696300000000 ] - [ 0.0012824300000000, 0.0009207200000000, -0.0006989500000000 ] - [ -0.0002021900000000, -0.0013248800000000, 0.0005696300000000 ] - [ -0.0012824300000000, -0.0009207200000000, -0.0006989500000000 ] - [ 0.0004646600000000, -0.0007059200000000, 0.0026403300000000 ] - [ 0.0015130700000000, -0.0011876400000000, -0.0020985000000000 ] - [ 0.0000000000000000, 0.0000506600000000, 0.0010152400000000 ] - [ 0.0000000000000000, 0.0003595300000000, 0.0001041900000000 ] - [ -0.0000308200000000, 0.0000000000000000, -0.0007503400000000 ] - [ 0.0010687400000000, 0.0000000000000000, -0.0005171500000000 ] - [ 0.0000308200000000, 0.0000000000000000, -0.0007503400000000 ] - [ -0.0010687400000000, 0.0000000000000000, -0.0005171500000000 ] - [ 0.0000000000000000, -0.0000506600000000, 0.0010152400000000 ] - [ 0.0000000000000000, -0.0003595300000000, 0.0001041900000000 ] - [ -0.0005522400000000, 0.0000000000000000, 0.0004717900000000 ] - [ 0.0003682100000000, 0.0000000000000000, -0.0012925000000000 ] - [ 0.0000000000000000, 0.0015233200000000, -0.0002836700000000 ] - [ 0.0000000000000000, -0.0013767300000000, 0.0006530900000000 ] - [ 0.0000000000000000, -0.0015233200000000, -0.0002836700000000 ] - [ 0.0000000000000000, 0.0013767300000000, 0.0006530900000000 ] - [ 0.0005522400000000, 0.0000000000000000, 0.0004717900000000 ] - [ -0.0003682100000000, 0.0000000000000000, -0.0012925000000000 ] - [ 0.0010225100000000, -0.0008482500000000, 0.0009336100000000 ] - [ -0.0002930000000000, 0.0010627200000000, -0.0013973800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004590100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007128200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006546100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025672700000000 ] - [ -0.0000710200000000, 0.0012333600000000, 0.0007376800000000 ] - [ -0.0004115800000000, -0.0009387900000000, -0.0003577900000000 ] - [ 0.0021410000000000, -0.0000892400000000, -0.0015289500000000 ] - [ -0.0029308300000000, 0.0017470300000000, -0.0007271200000000 ] - [ -0.0021410000000000, 0.0000892400000000, -0.0015289500000000 ] - [ 0.0029308300000000, -0.0017470300000000, -0.0007271200000000 ] - [ 0.0000710200000000, -0.0012333600000000, 0.0007376800000000 ] - [ 0.0004115800000000, 0.0009387900000000, -0.0003577900000000 ] - [ -0.0021410000000000, -0.0000892400000000, -0.0015289500000000 ] - [ 0.0029308300000000, 0.0017470300000000, -0.0007271200000000 ] - [ 0.0021410000000000, 0.0000892400000000, -0.0015289500000000 ] - [ -0.0029308300000000, -0.0017470300000000, -0.0007271200000000 ] - [ -0.0000710200000000, -0.0012333600000000, 0.0007376800000000 ] - [ -0.0004115800000000, 0.0009387900000000, -0.0003577900000000 ] - [ 0.0000710200000000, 0.0012333600000000, 0.0007376800000000 ] - [ 0.0004115800000000, -0.0009387900000000, -0.0003577900000000 ] - [ -0.0010225100000000, -0.0008482500000000, 0.0009336100000000 ] - [ 0.0002930000000000, 0.0010627200000000, -0.0013973800000000 ] - [ 0.0028272400000000, -0.0013700200000000, 0.0014776400000000 ] - [ -0.0009666000000000, 0.0005378900000000, -0.0010362000000000 ] - [ -0.0028272400000000, 0.0013700200000000, 0.0014776400000000 ] - [ 0.0009666000000000, -0.0005378900000000, -0.0010362000000000 ] - [ 0.0010225100000000, 0.0008482500000000, 0.0009336100000000 ] - [ -0.0002930000000000, -0.0010627200000000, -0.0013973800000000 ] - [ -0.0028272400000000, -0.0013700200000000, 0.0014776400000000 ] - [ 0.0009666000000000, 0.0005378900000000, -0.0010362000000000 ] - [ 0.0028272400000000, 0.0013700200000000, 0.0014776400000000 ] - [ -0.0009666000000000, -0.0005378900000000, -0.0010362000000000 ] - [ -0.0010225100000000, 0.0008482500000000, 0.0009336100000000 ] - [ 0.0002930000000000, -0.0010627200000000, -0.0013973800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017580400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017269600000000 ] - [ -0.0037262000000000, 0.0021262800000000, -0.0031349100000000 ] - [ 0.0023782300000000, 0.0005055200000000, 0.0023779500000000 ] - [ 0.0037262000000000, 0.0021262800000000, -0.0031349100000000 ] - [ -0.0023782300000000, 0.0005055200000000, 0.0023779500000000 ] - [ 0.0037262000000000, -0.0021262800000000, -0.0031349100000000 ] - [ -0.0023782300000000, -0.0005055200000000, 0.0023779500000000 ] - [ -0.0037262000000000, -0.0021262800000000, -0.0031349100000000 ] - [ 0.0023782300000000, -0.0005055200000000, 0.0023779500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007213100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006743000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0159450400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013834100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004267500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000646800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005231400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005014000000000 ] - [ 0.0054251600000000, -0.0007787700000000, -0.0016313900000000 ] - [ -0.0007618400000000, 0.0016774600000000, 0.0017087600000000 ] - [ -0.0054251600000000, 0.0007787700000000, -0.0016313900000000 ] - [ 0.0007618400000000, -0.0016774600000000, 0.0017087600000000 ] - [ 0.0054251600000000, 0.0007787700000000, -0.0016313900000000 ] - [ -0.0007618400000000, -0.0016774600000000, 0.0017087600000000 ] - [ -0.0054251600000000, -0.0007787700000000, -0.0016313900000000 ] - [ 0.0007618400000000, 0.0016774600000000, 0.0017087600000000 ] - [ -0.0000867400000000, 0.0000000000000000, -0.0030315600000000 ] - [ -0.0003045300000000, 0.0000000000000000, 0.0022354400000000 ] - [ 0.0000000000000000, -0.0077913700000000, 0.0077818100000000 ] - [ 0.0000000000000000, 0.0067967000000000, 0.0071944500000000 ] - [ 0.0000000000000000, 0.0077913700000000, 0.0077818100000000 ] - [ 0.0000000000000000, -0.0067967000000000, 0.0071944500000000 ] - [ 0.0000867400000000, 0.0000000000000000, -0.0030315600000000 ] - [ 0.0003045300000000, 0.0000000000000000, 0.0022354400000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0019222000000000, -0.0012667200000000, -0.0033624600000000 ] - [ -0.0008670500000000, -0.0007928300000000, 0.0013773500000000 ] - [ 0.0019222000000000, 0.0012667200000000, -0.0033624600000000 ] - [ 0.0008670500000000, 0.0007928300000000, 0.0013773500000000 ] - [ -0.0017789100000000, 0.0010582300000000, 0.0001569900000000 ] - [ -0.0006976900000000, 0.0014611500000000, 0.0014147500000000 ] - [ 0.0017789100000000, -0.0010582300000000, 0.0001569900000000 ] - [ 0.0006976900000000, -0.0014611500000000, 0.0014147500000000 ] - [ -0.0019222000000000, 0.0012667200000000, -0.0033624600000000 ] - [ -0.0008670500000000, 0.0007928300000000, 0.0013773500000000 ] - [ 0.0017789100000000, 0.0010582300000000, 0.0001569900000000 ] - [ 0.0006976900000000, 0.0014611500000000, 0.0014147500000000 ] - [ -0.0017789100000000, -0.0010582300000000, 0.0001569900000000 ] - [ -0.0006976900000000, -0.0014611500000000, 0.0014147500000000 ] - [ 0.0019222000000000, -0.0012667200000000, -0.0033624600000000 ] - [ 0.0008670500000000, -0.0007928300000000, 0.0013773500000000 ] - [ 0.0000000000000000, 0.0005349000000000, -0.0000322000000000 ] - [ 0.0000000000000000, 0.0002246000000000, 0.0008822800000000 ] - [ 0.0006121800000000, 0.0000000000000000, -0.0002358900000000 ] - [ -0.0004890600000000, 0.0000000000000000, -0.0004725500000000 ] - [ -0.0006121800000000, 0.0000000000000000, -0.0002358900000000 ] - [ 0.0004890600000000, 0.0000000000000000, -0.0004725500000000 ] - [ 0.0000000000000000, -0.0005349000000000, -0.0000322000000000 ] - [ 0.0000000000000000, -0.0002246000000000, 0.0008822800000000 ] - [ 0.0002809700000000, 0.0000000000000000, -0.0014100000000000 ] - [ -0.0006371400000000, 0.0000000000000000, 0.0003543900000000 ] - [ 0.0000000000000000, -0.0012525100000000, 0.0012229600000000 ] - [ 0.0000000000000000, 0.0016445900000000, 0.0002838800000000 ] - [ 0.0000000000000000, 0.0012525100000000, 0.0012229600000000 ] - [ 0.0000000000000000, -0.0016445900000000, 0.0002838800000000 ] - [ -0.0002809700000000, 0.0000000000000000, -0.0014100000000000 ] - [ 0.0006371400000000, 0.0000000000000000, 0.0003543900000000 ] - [ -0.0009091300000000, 0.0015815900000000, -0.0018452200000000 ] - [ 0.0004058300000000, -0.0003348600000000, 0.0004864800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009245900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002490800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013521900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030529400000000 ] - [ -0.0004988600000000, -0.0015534500000000, -0.0005650900000000 ] - [ -0.0001562600000000, 0.0006143900000000, 0.0005288600000000 ] - [ -0.0024631400000000, 0.0006532300000000, 0.0013585500000000 ] - [ 0.0026027300000000, -0.0011645600000000, 0.0005243300000000 ] - [ 0.0024631400000000, -0.0006532300000000, 0.0013585500000000 ] - [ -0.0026027300000000, 0.0011645600000000, 0.0005243300000000 ] - [ 0.0004988600000000, 0.0015534500000000, -0.0005650900000000 ] - [ 0.0001562600000000, -0.0006143900000000, 0.0005288600000000 ] - [ 0.0024631400000000, 0.0006532300000000, 0.0013585500000000 ] - [ -0.0026027300000000, -0.0011645600000000, 0.0005243300000000 ] - [ -0.0024631400000000, -0.0006532300000000, 0.0013585500000000 ] - [ 0.0026027300000000, 0.0011645600000000, 0.0005243300000000 ] - [ -0.0004988600000000, 0.0015534500000000, -0.0005650900000000 ] - [ -0.0001562600000000, -0.0006143900000000, 0.0005288600000000 ] - [ 0.0004988600000000, -0.0015534500000000, -0.0005650900000000 ] - [ 0.0001562600000000, 0.0006143900000000, 0.0005288600000000 ] - [ 0.0009091300000000, 0.0015815900000000, -0.0018452200000000 ] - [ -0.0004058300000000, -0.0003348600000000, 0.0004864800000000 ] - [ -0.0021040900000000, 0.0014961900000000, -0.0005355500000000 ] - [ 0.0016924500000000, -0.0004269100000000, 0.0019414900000000 ] - [ 0.0021040900000000, -0.0014961900000000, -0.0005355500000000 ] - [ -0.0016924500000000, 0.0004269100000000, 0.0019414900000000 ] - [ -0.0009091300000000, -0.0015815900000000, -0.0018452200000000 ] - [ 0.0004058300000000, 0.0003348600000000, 0.0004864800000000 ] - [ 0.0021040900000000, 0.0014961900000000, -0.0005355500000000 ] - [ -0.0016924500000000, -0.0004269100000000, 0.0019414900000000 ] - [ -0.0021040900000000, -0.0014961900000000, -0.0005355500000000 ] - [ 0.0016924500000000, 0.0004269100000000, 0.0019414900000000 ] - [ 0.0009091300000000, -0.0015815900000000, -0.0018452200000000 ] - [ -0.0004058300000000, 0.0003348600000000, 0.0004864800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0017653800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017261700000000 ] - [ 0.0056909700000000, -0.0001730100000000, 0.0031182900000000 ] - [ -0.0004209600000000, 0.0014550200000000, -0.0023746400000000 ] - [ -0.0056909700000000, -0.0001730100000000, 0.0031182900000000 ] - [ 0.0004209600000000, 0.0014550200000000, -0.0023746400000000 ] - [ -0.0056909700000000, 0.0001730100000000, 0.0031182900000000 ] - [ 0.0004209600000000, -0.0014550200000000, -0.0023746400000000 ] - [ 0.0056909700000000, 0.0001730100000000, 0.0031182900000000 ] - [ -0.0004209600000000, -0.0014550200000000, -0.0023746400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007189500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006739000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0161491300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009349900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000240500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005136100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005207700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005004000000000 ] - [ -0.0033030000000000, 0.0029071200000000, 0.0016509600000000 ] - [ 0.0028826700000000, 0.0004517500000000, -0.0017117700000000 ] - [ 0.0033030000000000, -0.0029071200000000, 0.0016509600000000 ] - [ -0.0028826700000000, -0.0004517500000000, -0.0017117700000000 ] - [ -0.0033030000000000, -0.0029071200000000, 0.0016509600000000 ] - [ 0.0028826700000000, -0.0004517500000000, -0.0017117700000000 ] - [ 0.0033030000000000, 0.0029071200000000, 0.0016509600000000 ] - [ -0.0028826700000000, 0.0004517500000000, -0.0017117700000000 ] - [ -0.0001234500000000, 0.0000000000000000, 0.0032937400000000 ] - [ 0.0000934100000000, 0.0000000000000000, -0.0019742300000000 ] - [ 0.0000000000000000, 0.0079208600000000, -0.0079878700000000 ] - [ 0.0000000000000000, -0.0066658600000000, -0.0075064900000000 ] - [ 0.0000000000000000, -0.0079208600000000, -0.0079878700000000 ] - [ 0.0000000000000000, 0.0066658600000000, -0.0075064900000000 ] - [ 0.0001234500000000, 0.0000000000000000, 0.0032937400000000 ] - [ -0.0000934100000000, 0.0000000000000000, -0.0019742300000000 ]- atom: 85 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008362800000000, -0.0023187700000000, 0.0021331100000000 ] - [ -0.0013346800000000, -0.0010816200000000, -0.0009223800000000 ] - [ 0.0014748800000000, -0.0003873300000000, -0.0028729800000000 ] - [ 0.0010462000000000, 0.0008994900000000, 0.0002047500000000 ] - [ -0.0010668100000000, 0.0018935200000000, -0.0019097100000000 ] - [ -0.0010694400000000, 0.0013967900000000, 0.0009350200000000 ] - [ 0.0008687000000000, -0.0004494000000000, 0.0026392100000000 ] - [ 0.0009130000000000, -0.0009869100000000, -0.0002159600000000 ] - [ -0.0008362800000000, 0.0023187700000000, 0.0021331100000000 ] - [ -0.0013346800000000, 0.0010816200000000, -0.0009223800000000 ] - [ 0.0008687000000000, 0.0004494000000000, 0.0026392100000000 ] - [ 0.0009130000000000, 0.0009869100000000, -0.0002159600000000 ] - [ -0.0010668100000000, -0.0018935200000000, -0.0019097100000000 ] - [ -0.0010694400000000, -0.0013967900000000, 0.0009350200000000 ] - [ 0.0014748800000000, 0.0003873300000000, -0.0028729800000000 ] - [ 0.0010462000000000, -0.0008994900000000, 0.0002047500000000 ] - [ 0.0038675300000000, 0.0002901900000000, 0.0004894100000000 ] - [ 0.0031939100000000, 0.0002909500000000, 0.0004955100000000 ] - [ 0.0000320300000000, 0.0000000000000000, 0.0016227100000000 ] - [ 0.0004068800000000, 0.0000000000000000, -0.0015000400000000 ] - [ -0.0005441000000000, 0.0000000000000000, -0.0026141500000000 ] - [ -0.0001734500000000, 0.0000000000000000, 0.0005164000000000 ] - [ 0.0038675300000000, -0.0002901900000000, 0.0004894100000000 ] - [ 0.0031939100000000, -0.0002909500000000, 0.0004955100000000 ] - [ -0.0007686600000000, 0.0000000000000000, -0.0002078400000000 ] - [ -0.0005604300000000, 0.0000000000000000, -0.0003964500000000 ] - [ -0.0003953800000000, 0.0001326200000000, 0.0004679700000000 ] - [ -0.0003035100000000, 0.0001288700000000, 0.0004695000000000 ] - [ -0.0003953800000000, -0.0001326200000000, 0.0004679700000000 ] - [ -0.0003035100000000, -0.0001288700000000, 0.0004695000000000 ] - [ -0.0005013100000000, 0.0000000000000000, -0.0007276200000000 ] - [ -0.0002962000000000, 0.0000000000000000, -0.0005412600000000 ] - [ -0.0000004700000000, -0.0013026400000000, 0.0000459900000000 ] - [ -0.0000240800000000, 0.0002311800000000, -0.0005274700000000 ] - [ 0.0020550800000000, 0.0000000000000000, -0.0002329300000000 ] - [ 0.0012365800000000, 0.0000000000000000, -0.0002314200000000 ] - [ -0.0008677100000000, 0.0000000000000000, 0.0002292900000000 ] - [ -0.0003011300000000, 0.0000000000000000, 0.0002310600000000 ] - [ -0.0000564500000000, 0.0002961900000000, -0.0001482200000000 ] - [ -0.0001634400000000, 0.0007802700000000, 0.0007518600000000 ] - [ -0.0016542000000000, 0.0001841600000000, 0.0002705100000000 ] - [ -0.0015212700000000, 0.0001711400000000, 0.0008655700000000 ] - [ -0.0013374300000000, -0.0003807100000000, -0.0004416700000000 ] - [ -0.0011977700000000, -0.0003927400000000, -0.0010288000000000 ] - [ 0.0005128100000000, 0.0006109000000000, 0.0003236400000000 ] - [ 0.0004035400000000, 0.0010989400000000, -0.0005795900000000 ] - [ -0.0013374300000000, 0.0003807100000000, -0.0004416700000000 ] - [ -0.0011977700000000, 0.0003927400000000, -0.0010288000000000 ] - [ -0.0016542000000000, -0.0001841600000000, 0.0002705100000000 ] - [ -0.0015212700000000, -0.0001711400000000, 0.0008655700000000 ] - [ -0.0000564500000000, -0.0002961900000000, -0.0001482200000000 ] - [ -0.0001634400000000, -0.0007802700000000, 0.0007518600000000 ] - [ 0.0005128100000000, -0.0006109000000000, 0.0003236400000000 ] - [ 0.0004035400000000, -0.0010989400000000, -0.0005795900000000 ] - [ -0.0001136500000000, 0.0020300500000000, -0.0009583100000000 ] - [ -0.0001358400000000, 0.0004957300000000, -0.0003816400000000 ] - [ -0.0018138600000000, -0.0001752500000000, -0.0005426800000000 ] - [ -0.0000694400000000, 0.0000813900000000, 0.0002744500000000 ] - [ -0.0025390200000000, -0.0002821400000000, 0.0014466500000000 ] - [ -0.0007917000000000, -0.0000313700000000, 0.0006296900000000 ] - [ -0.0000004700000000, 0.0013026400000000, 0.0000459900000000 ] - [ -0.0000240800000000, -0.0002311800000000, -0.0005274700000000 ] - [ -0.0025390200000000, 0.0002821400000000, 0.0014466500000000 ] - [ -0.0007917000000000, 0.0000313700000000, 0.0006296900000000 ] - [ -0.0018138600000000, 0.0001752500000000, -0.0005426800000000 ] - [ -0.0000694400000000, -0.0000813900000000, 0.0002744500000000 ] - [ -0.0001136500000000, -0.0020300500000000, -0.0009583100000000 ] - [ -0.0001358400000000, -0.0004957300000000, -0.0003816400000000 ] - [ 0.0010155800000000, 0.0000000000000000, -0.0000002400000000 ] - [ 0.0006286200000000, 0.0000000000000000, 0.0000007500000000 ] - [ 0.0055612800000000, 0.0066642500000000, 0.0006185400000000 ] - [ 0.0016169800000000, 0.0011770000000000, 0.0000477500000000 ] - [ 0.0035960200000000, -0.0046560400000000, -0.0006135600000000 ] - [ -0.0003437300000000, 0.0007827100000000, -0.0000482300000000 ] - [ 0.0035960200000000, 0.0046560400000000, -0.0006135600000000 ] - [ -0.0003437300000000, -0.0007827100000000, -0.0000482300000000 ] - [ 0.0055612800000000, -0.0066642500000000, 0.0006185400000000 ] - [ 0.0016169800000000, -0.0011770000000000, 0.0000477500000000 ] - [ 0.0004945500000000, 0.0000000000000000, -0.0000003400000000 ] - [ 0.0001558700000000, 0.0000000000000000, 0.0000001100000000 ] - [ 0.0012800200000000, 0.0000000000000000, 0.0002227900000000 ] - [ 0.0002336500000000, 0.0000000000000000, 0.0002247600000000 ] - [ -0.0006797300000000, 0.0000000000000000, -0.0002252000000000 ] - [ -0.0002887500000000, 0.0000000000000000, -0.0002249700000000 ] - [ -0.0151235600000000, 0.0000000000000000, 0.0000348300000000 ] - [ -0.0003669700000000, 0.0000000000000000, -0.0000000400000000 ] - [ -0.0005127000000000, 0.0031280600000000, -0.0051946000000000 ] - [ 0.0004508600000000, 0.0032239200000000, 0.0051071700000000 ] - [ -0.0026212800000000, 0.0009954600000000, 0.0051860300000000 ] - [ -0.0016589000000000, 0.0010954400000000, -0.0051078700000000 ] - [ -0.0005127000000000, -0.0031280600000000, -0.0051946000000000 ] - [ 0.0004508600000000, -0.0032239200000000, 0.0051071700000000 ] - [ -0.0026212800000000, -0.0009954600000000, 0.0051860300000000 ] - [ -0.0016589000000000, -0.0010954400000000, -0.0051078700000000 ] - [ -0.0012676000000000, 0.0000000000000000, -0.0008557200000000 ] - [ -0.0005780500000000, 0.0000000000000000, 0.0009299400000000 ] - [ 0.0040228700000000, 0.0001043900000000, -0.0001246500000000 ] - [ 0.0021281000000000, 0.0001079300000000, -0.0001317100000000 ] - [ 0.0040228700000000, -0.0001043900000000, -0.0001246500000000 ] - [ 0.0021281000000000, -0.0001079300000000, -0.0001317100000000 ] - [ -0.0010512700000000, 0.0000000000000000, 0.0011132500000000 ] - [ -0.0003606800000000, 0.0000000000000000, -0.0006722200000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0006875100000000, -0.0000917200000000, 0.0020940000000000 ] - [ -0.0016394300000000, -0.0012747700000000, -0.0023691800000000 ] - [ 0.0006875100000000, 0.0000917200000000, 0.0020940000000000 ] - [ 0.0016394300000000, 0.0012747700000000, -0.0023691800000000 ] - [ -0.0018626100000000, 0.0016676100000000, 0.0028433700000000 ] - [ -0.0007061500000000, 0.0007433100000000, -0.0016507300000000 ] - [ 0.0018626100000000, -0.0016676100000000, 0.0028433700000000 ] - [ 0.0007061500000000, -0.0007433100000000, -0.0016507300000000 ] - [ -0.0006875100000000, 0.0000917200000000, 0.0020940000000000 ] - [ -0.0016394300000000, 0.0012747700000000, -0.0023691800000000 ] - [ 0.0018626100000000, 0.0016676100000000, 0.0028433700000000 ] - [ 0.0007061500000000, 0.0007433100000000, -0.0016507300000000 ] - [ -0.0018626100000000, -0.0016676100000000, 0.0028433700000000 ] - [ -0.0007061500000000, -0.0007433100000000, -0.0016507300000000 ] - [ 0.0006875100000000, -0.0000917200000000, 0.0020940000000000 ] - [ 0.0016394300000000, -0.0012747700000000, -0.0023691800000000 ] - [ 0.0000000000000000, -0.0012235500000000, -0.0016396200000000 ] - [ 0.0000000000000000, 0.0011333000000000, -0.0006399700000000 ] - [ 0.0018185800000000, 0.0000000000000000, -0.0026308600000000 ] - [ -0.0005400900000000, 0.0000000000000000, -0.0016193200000000 ] - [ -0.0018185800000000, 0.0000000000000000, -0.0026308600000000 ] - [ 0.0005400900000000, 0.0000000000000000, -0.0016193200000000 ] - [ 0.0000000000000000, 0.0012235500000000, -0.0016396200000000 ] - [ 0.0000000000000000, -0.0011333000000000, -0.0006399700000000 ] - [ 0.0001439800000000, 0.0000000000000000, -0.0002418300000000 ] - [ -0.0004100600000000, 0.0000000000000000, -0.0007005300000000 ] - [ 0.0000000000000000, 0.0004110300000000, 0.0006982100000000 ] - [ 0.0000000000000000, -0.0001456100000000, 0.0002383600000000 ] - [ 0.0000000000000000, -0.0004110300000000, 0.0006982100000000 ] - [ 0.0000000000000000, 0.0001456100000000, 0.0002383600000000 ] - [ -0.0001439800000000, 0.0000000000000000, -0.0002418300000000 ] - [ 0.0004100600000000, 0.0000000000000000, -0.0007005300000000 ] - [ 0.0001666900000000, -0.0001070400000000, 0.0011015400000000 ] - [ -0.0001349000000000, 0.0009209700000000, -0.0014565700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002285200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007036800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006958300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002414700000000 ] - [ -0.0004662100000000, 0.0011704400000000, 0.0003604800000000 ] - [ -0.0001447400000000, -0.0015518300000000, -0.0004484700000000 ] - [ -0.0014987400000000, 0.0001002700000000, 0.0001921500000000 ] - [ 0.0012234100000000, 0.0004205700000000, -0.0006194700000000 ] - [ 0.0014987400000000, -0.0001002700000000, 0.0001921500000000 ] - [ -0.0012234100000000, -0.0004205700000000, -0.0006194700000000 ] - [ 0.0004662100000000, -0.0011704400000000, 0.0003604800000000 ] - [ 0.0001447400000000, 0.0015518300000000, -0.0004484700000000 ] - [ 0.0014987400000000, 0.0001002700000000, 0.0001921500000000 ] - [ -0.0012234100000000, 0.0004205700000000, -0.0006194700000000 ] - [ -0.0014987400000000, -0.0001002700000000, 0.0001921500000000 ] - [ 0.0012234100000000, -0.0004205700000000, -0.0006194700000000 ] - [ -0.0004662100000000, -0.0011704400000000, 0.0003604800000000 ] - [ -0.0001447400000000, 0.0015518300000000, -0.0004484700000000 ] - [ 0.0004662100000000, 0.0011704400000000, 0.0003604800000000 ] - [ 0.0001447400000000, -0.0015518300000000, -0.0004484700000000 ] - [ -0.0001666900000000, -0.0001070400000000, 0.0011015400000000 ] - [ 0.0001349000000000, 0.0009209700000000, -0.0014565700000000 ] - [ 0.0008401700000000, -0.0000542800000000, 0.0020145000000000 ] - [ -0.0001970600000000, 0.0002469600000000, -0.0005499600000000 ] - [ -0.0008401700000000, 0.0000542800000000, 0.0020145000000000 ] - [ 0.0001970600000000, -0.0002469600000000, -0.0005499600000000 ] - [ 0.0001666900000000, 0.0001070400000000, 0.0011015400000000 ] - [ -0.0001349000000000, -0.0009209700000000, -0.0014565700000000 ] - [ -0.0008401700000000, -0.0000542800000000, 0.0020145000000000 ] - [ 0.0001970600000000, 0.0002469600000000, -0.0005499600000000 ] - [ 0.0008401700000000, 0.0000542800000000, 0.0020145000000000 ] - [ -0.0001970600000000, -0.0002469600000000, -0.0005499600000000 ] - [ -0.0001666900000000, 0.0001070400000000, 0.0011015400000000 ] - [ 0.0001349000000000, -0.0009209700000000, -0.0014565700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000215000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000183800000000 ] - [ 0.0010609200000000, 0.0008759600000000, -0.0068138400000000 ] - [ 0.0013065500000000, 0.0006561400000000, 0.0027878500000000 ] - [ -0.0010609200000000, 0.0008759600000000, -0.0068138400000000 ] - [ -0.0013065500000000, 0.0006561400000000, 0.0027878500000000 ] - [ -0.0010609200000000, -0.0008759600000000, -0.0068138400000000 ] - [ -0.0013065500000000, -0.0006561400000000, 0.0027878500000000 ] - [ 0.0010609200000000, -0.0008759600000000, -0.0068138400000000 ] - [ 0.0013065500000000, -0.0006561400000000, 0.0027878500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004470000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004317000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002960000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007255200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007477100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002760400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0053227000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008416200000000 ] - [ -0.0027880800000000, -0.0022332900000000, 0.0033992200000000 ] - [ 0.0043880900000000, 0.0049464500000000, 0.0033863500000000 ] - [ 0.0027880800000000, 0.0022332900000000, 0.0033992200000000 ] - [ -0.0043880900000000, -0.0049464500000000, 0.0033863500000000 ] - [ -0.0027880800000000, 0.0022332900000000, 0.0033992200000000 ] - [ 0.0043880900000000, -0.0049464500000000, 0.0033863500000000 ] - [ 0.0027880800000000, -0.0022332900000000, 0.0033992200000000 ] - [ -0.0043880900000000, 0.0049464500000000, 0.0033863500000000 ] - [ -0.0006413300000000, 0.0000000000000000, -0.0018546100000000 ] - [ 0.0003737400000000, 0.0000000000000000, 0.0022473300000000 ] - [ 0.0000000000000000, -0.0004298800000000, -0.0021272100000000 ] - [ 0.0000000000000000, 0.0005847000000000, 0.0019872800000000 ] - [ 0.0000000000000000, 0.0004298800000000, -0.0021272100000000 ] - [ 0.0000000000000000, -0.0005847000000000, 0.0019872800000000 ] - [ 0.0006413300000000, 0.0000000000000000, -0.0018546100000000 ] - [ -0.0003737400000000, 0.0000000000000000, 0.0022473300000000 ]- atom: 87 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0132723000000000, -0.0027649700000000, 0.0051474200000000 ] - [ 0.0014897100000000, -0.0005620600000000, -0.0013345400000000 ] - [ -0.0001308100000000, 0.0004338700000000, 0.0016470300000000 ] - [ 0.0001383700000000, 0.0007846800000000, -0.0004608000000000 ] - [ -0.0005034800000000, 0.0009915300000000, 0.0002817200000000 ] - [ 0.0004497100000000, 0.0010289200000000, -0.0001015500000000 ] - [ 0.0006834000000000, -0.0012622200000000, 0.0057057000000000 ] - [ -0.0094661300000000, 0.0023798900000000, -0.0174183600000000 ] - [ 0.0000272100000000, 0.0012632200000000, -0.0003801800000000 ] - [ -0.0003708100000000, 0.0007786400000000, 0.0003286800000000 ] - [ 0.0007889300000000, 0.0014471200000000, 0.0021581500000000 ] - [ -0.0009959000000000, -0.0002693700000000, -0.0035464700000000 ] - [ 0.0003195600000000, -0.0010491100000000, -0.0033109300000000 ] - [ 0.0171273600000000, -0.0011117300000000, 0.0023363800000000 ] - [ -0.0103215500000000, 0.0018267400000000, 0.0141393000000000 ] - [ -0.0021174400000000, -0.0005426000000000, -0.0015649100000000 ] - [ 0.0094446600000000, -0.0012640800000000, 0.0000334200000000 ] - [ 0.0009501800000000, 0.0002149100000000, 0.0005828700000000 ] - [ 0.0001654900000000, -0.0004481200000000, 0.0000327300000000 ] - [ -0.0119643600000000, -0.0314278300000000, -0.0026351400000000 ] - [ -0.0000088200000000, 0.0003660400000000, -0.0004973500000000 ] - [ 0.0072428700000000, 0.0111621100000000, 0.0006856600000000 ] - [ 0.0567124000000000, 0.0039824700000000, -0.0298590800000000 ] - [ 0.0015626000000000, -0.0002380900000000, 0.0006592100000000 ] - [ 0.0052876200000000, -0.0026465300000000, -0.0038630100000000 ] - [ 0.0003415600000000, -0.0001030900000000, 0.0000607100000000 ] - [ -0.0002412000000000, 0.0000350000000000, 0.0005874600000000 ] - [ -0.0011257300000000, -0.0015706700000000, -0.0013446200000000 ] - [ -0.0004980700000000, -0.0001681100000000, 0.0005537300000000 ] - [ -0.0095977800000000, -0.0201687900000000, -0.0006816600000000 ] - [ -0.0105896200000000, 0.0000265700000000, -0.0040126400000000 ] - [ -0.0009990600000000, -0.0000550000000000, -0.0002150300000000 ] - [ 0.0013781000000000, -0.0028439500000000, -0.0005942900000000 ] - [ 0.0031490700000000, 0.0005801700000000, -0.0011189300000000 ] - [ 0.0091132100000000, 0.0014644800000000, 0.0003923400000000 ] - [ 0.0008949500000000, 0.0000412300000000, -0.0004069400000000 ] - [ -0.0005436300000000, 0.0002944400000000, -0.0003512200000000 ] - [ -0.0080914000000000, 0.0292367300000000, 0.0055091000000000 ] - [ -0.0102238300000000, 0.0250018800000000, 0.0076374400000000 ] - [ -0.0004248100000000, 0.0005010100000000, 0.0007236100000000 ] - [ -0.0005501400000000, 0.0002874500000000, 0.0003915000000000 ] - [ 0.0339310400000000, -0.0049523700000000, 0.0400985500000000 ] - [ -0.0008490300000000, -0.0001588600000000, -0.0001258600000000 ] - [ -0.0140220300000000, -0.0008724300000000, -0.0052979900000000 ] - [ 0.0023894600000000, 0.0010939800000000, -0.0001047400000000 ] - [ 0.0005724100000000, -0.0000946500000000, 0.0003004600000000 ] - [ -0.0017538200000000, 0.0001852100000000, -0.0003325100000000 ] - [ -0.0674440800000000, 0.0004896300000000, -0.0197604300000000 ] - [ -0.0002148600000000, -0.0001541300000000, 0.0002564900000000 ] - [ 0.0073772700000000, 0.0016574000000000, -0.0022084800000000 ] - [ -0.0007451000000000, 0.0003136900000000, -0.0008025200000000 ] - [ -0.0004191400000000, -0.0000234000000000, 0.0003649200000000 ] - [ 0.0084676300000000, -0.0101975900000000, -0.0008430000000000 ] - [ 0.0005627100000000, -0.0001694900000000, 0.0001008300000000 ] - [ -0.0013635600000000, 0.0021012500000000, 0.0018054500000000 ] - [ -0.0033637700000000, 0.0011073900000000, -0.0022021200000000 ] - [ -0.0002335300000000, -0.0003072000000000, -0.0034594700000000 ] - [ 0.0107064700000000, -0.0021153800000000, 0.0096089100000000 ] - [ -0.0024089200000000, 0.0006771800000000, 0.0013686000000000 ] - [ -0.0049767000000000, 0.0017175900000000, 0.0022091500000000 ] - [ 0.0009538100000000, -0.0006719100000000, -0.0006905200000000 ] - [ 0.0009670100000000, 0.0000457500000000, -0.0001055500000000 ] - [ -0.0065781600000000, 0.0000901100000000, 0.0043681400000000 ] - [ -0.0187293600000000, -0.0025487600000000, 0.0105407100000000 ] - [ 0.0005613900000000, 0.0003076100000000, 0.0000388500000000 ] - [ 0.0024383300000000, 0.0009311500000000, 0.0013330800000000 ] - [ -0.0011710900000000, 0.0014960000000000, 0.0018453500000000 ] - [ -0.0014279000000000, -0.0003591700000000, -0.0008514400000000 ] - [ 0.0054903300000000, 0.0133772200000000, 0.0129773200000000 ] - [ 0.0005286100000000, 0.0002071100000000, -0.0005204200000000 ] - [ -0.0013907800000000, 0.0065099100000000, 0.0134103100000000 ] - [ -0.0184454300000000, 0.0016793100000000, -0.0025863000000000 ] - [ 0.0058841600000000, -0.0046235200000000, -0.0137347700000000 ] - [ 0.0194313900000000, -0.0019583700000000, 0.0108457900000000 ] - [ 0.0015951300000000, -0.0022019700000000, -0.0031755400000000 ] - [ 0.0058754000000000, -0.0004275900000000, 0.0021421500000000 ] - [ 0.0000607400000000, -0.0012455100000000, 0.0004964100000000 ] - [ -0.0025240100000000, -0.0012390400000000, -0.0006440300000000 ] - [ 0.0009810000000000, 0.0004511500000000, 0.0003576400000000 ] - [ 0.0003215900000000, 0.0010789800000000, -0.0019041800000000 ] - [ 0.0042153900000000, -0.0036369200000000, 0.0046136300000000 ] - [ 0.0002791900000000, -0.0005263700000000, -0.0016009200000000 ] - [ -0.0006816700000000, -0.0001617200000000, -0.0008392800000000 ] - [ -0.0008647600000000, -0.0023604500000000, 0.0016155600000000 ] - [ -0.0015641900000000, 0.0021509100000000, -0.0038534100000000 ] - [ -0.0005991800000000, 0.0020589400000000, 0.0033043400000000 ] - [ -0.2878686600000000, -0.0022066100000000, 0.0136910400000000 ] - [ -0.0007382600000000, 0.0006821500000000, 0.0008187100000000 ] - [ 0.0051179000000000, 0.0193901100000000, -0.0006885000000000 ] - [ -0.0004891600000000, -0.0006302700000000, -0.0015330200000000 ] - [ -0.0150664000000000, -0.0026385900000000, 0.0012565800000000 ] - [ -0.0001480300000000, -0.0011035800000000, -0.0005484300000000 ] - [ 0.1621698200000000, 0.0028237400000000, 0.0216723000000000 ] - [ -0.0001595100000000, 0.0011063200000000, -0.0032457900000000 ] - [ -0.0151802300000000, 0.0015756200000000, 0.0014630700000000 ] - [ -0.0019598900000000, 0.0002730700000000, -0.0005592600000000 ] - [ 0.0016576000000000, -0.0006296200000000, -0.0002789800000000 ] - [ 0.0062623300000000, -0.0187018200000000, 0.0083028200000000 ] - [ 0.0054390500000000, 0.0001048700000000, 0.0006334700000000 ] - [ 0.1214862700000000, 0.0027367000000000, -0.0637853000000000 ] - [ 0.0049315900000000, -0.0165619800000000, -0.0113352500000000 ] - [ 0.0009514800000000, -0.0005735900000000, -0.0001191300000000 ]- atom: 87 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0159448200000000, 0.0007224100000000, -0.0064760300000000 ] - [ -0.0038655500000000, -0.0014259200000000, 0.0006031800000000 ] - [ 0.0025129600000000, 0.0015613000000000, -0.0023478500000000 ] - [ 0.0022471800000000, 0.0012018200000000, -0.0002528100000000 ] - [ -0.0014794500000000, 0.0013917000000000, 0.0004350900000000 ] - [ -0.0024362900000000, 0.0013510600000000, 0.0008106100000000 ] - [ 0.0013010800000000, -0.0011271000000000, -0.0049865800000000 ] - [ 0.0114844900000000, -0.0047663600000000, 0.0180767200000000 ] - [ -0.0024071400000000, 0.0007150000000000, -0.0003164700000000 ] - [ -0.0020169300000000, 0.0012094500000000, -0.0010515000000000 ] - [ 0.0011985200000000, 0.0009442400000000, -0.0014375500000000 ] - [ 0.0029795100000000, 0.0026572700000000, 0.0042445200000000 ] - [ -0.0022977200000000, -0.0013393900000000, 0.0040608400000000 ] - [ -0.0193274700000000, -0.0013725400000000, -0.0010905400000000 ] - [ 0.0127396000000000, -0.0038208400000000, -0.0147621900000000 ] - [ 0.0044985100000000, -0.0014450700000000, 0.0008494600000000 ] - [ -0.0095161700000000, 0.0017870000000000, 0.0009678700000000 ] - [ -0.0009397300000000, 0.0003721900000000, 0.0004052700000000 ] - [ 0.0004195700000000, 0.0004601600000000, -0.0010196800000000 ] - [ 0.0126257900000000, 0.0313289000000000, 0.0016430900000000 ] - [ -0.0005770500000000, -0.0003724400000000, -0.0004901600000000 ] - [ -0.0077059300000000, -0.0098277500000000, -0.0014063900000000 ] - [ -0.0666621500000000, -0.0048307300000000, 0.0324674000000000 ] - [ -0.0015676600000000, -0.0003497600000000, 0.0003256100000000 ] - [ -0.0054445800000000, 0.0026619500000000, 0.0029182700000000 ] - [ -0.0005985000000000, 0.0001040700000000, -0.0010039100000000 ] - [ 0.0002421400000000, 0.0002276200000000, 0.0003549900000000 ] - [ 0.0011353800000000, 0.0017805500000000, 0.0022812700000000 ] - [ 0.0005004400000000, -0.0000996200000000, 0.0003858400000000 ] - [ 0.0095198300000000, 0.0198341900000000, 0.0016712000000000 ] - [ 0.0108061400000000, -0.0000467400000000, 0.0030524300000000 ] - [ 0.0012671800000000, 0.0000549100000000, -0.0007235100000000 ] - [ -0.0012630600000000, 0.0036024000000000, -0.0003130700000000 ] - [ -0.0030264200000000, 0.0001758000000000, 0.0001809000000000 ] - [ -0.0091753500000000, -0.0014372900000000, -0.0008187400000000 ] - [ -0.0009065200000000, -0.0000394200000000, -0.0000564200000000 ] - [ 0.0005459200000000, -0.0002852000000000, 0.0008064800000000 ] - [ 0.0080162400000000, -0.0291307800000000, -0.0049722300000000 ] - [ 0.0097358400000000, -0.0252767300000000, -0.0074523800000000 ] - [ -0.0001414000000000, -0.0008210300000000, -0.0005468700000000 ] - [ 0.0002367300000000, 0.0002763800000000, -0.0005640600000000 ] - [ -0.0272935500000000, 0.0051827700000000, -0.0403588400000000 ] - [ 0.0011690600000000, -0.0004025900000000, -0.0000417000000000 ] - [ 0.0142929500000000, 0.0003244200000000, 0.0051179100000000 ] - [ -0.0018152900000000, -0.0007360200000000, 0.0002658900000000 ] - [ -0.0000077100000000, 0.0004272300000000, -0.0001353000000000 ] - [ 0.0020779600000000, 0.0003767100000000, 0.0001641000000000 ] - [ 0.0676604000000000, 0.0000744700000000, 0.0195944500000000 ] - [ -0.0001103200000000, -0.0004089900000000, -0.0004246900000000 ] - [ -0.0075890400000000, -0.0022548900000000, 0.0020130100000000 ] - [ 0.0001641600000000, -0.0000429000000000, 0.0009840800000000 ] - [ -0.0001448500000000, 0.0003348300000000, -0.0001900200000000 ] - [ -0.0078526800000000, 0.0087664900000000, 0.0010121200000000 ] - [ 0.0000029200000000, -0.0001546700000000, 0.0000676900000000 ] - [ 0.0012537600000000, -0.0013888900000000, -0.0027086700000000 ] - [ 0.0032548700000000, -0.0003827300000000, 0.0012925100000000 ] - [ 0.0009909900000000, 0.0004064800000000, 0.0043725700000000 ] - [ -0.0098872600000000, 0.0022231400000000, -0.0086965100000000 ] - [ 0.0016732200000000, -0.0007732000000000, -0.0004561400000000 ] - [ 0.0042529400000000, -0.0018182800000000, -0.0013087600000000 ] - [ -0.0008521800000000, -0.0000864800000000, -0.0002347300000000 ] - [ -0.0008604400000000, -0.0007731600000000, -0.0008034500000000 ] - [ 0.0058402200000000, 0.0000113900000000, -0.0034648800000000 ] - [ 0.0180019100000000, 0.0026494300000000, -0.0096175300000000 ] - [ 0.0001654000000000, -0.0004115500000000, 0.0008688100000000 ] - [ -0.0017178700000000, -0.0010327600000000, -0.0004317400000000 ] - [ 0.0010538900000000, -0.0022042200000000, -0.0027439200000000 ] - [ 0.0013223600000000, -0.0003725900000000, -0.0000662500000000 ] - [ -0.0054975000000000, -0.0132467000000000, -0.0128947400000000 ] - [ -0.0005293600000000, -0.0002041800000000, 0.0005198400000000 ] - [ 0.0032477800000000, -0.0045347200000000, -0.0135041800000000 ] - [ 0.0202893300000000, 0.0002404200000000, 0.0027675000000000 ] - [ -0.0078179600000000, 0.0065870400000000, 0.0137281500000000 ] - [ -0.0213479500000000, 0.0039188000000000, -0.0108582300000000 ] - [ -0.0035424400000000, 0.0002189000000000, 0.0031592200000000 ] - [ -0.0078236700000000, -0.0015277800000000, -0.0021305600000000 ] - [ 0.0018907200000000, -0.0006988000000000, -0.0005188800000000 ] - [ 0.0044752300000000, -0.0007184400000000, 0.0006467700000000 ] - [ -0.0009779400000000, -0.0004435700000000, -0.0003571400000000 ] - [ -0.0003209100000000, -0.0010727600000000, 0.0018951100000000 ] - [ -0.0041855800000000, 0.0035849000000000, -0.0041151000000000 ] - [ -0.0002790300000000, 0.0005257200000000, 0.0020424600000000 ] - [ 0.0006816400000000, 0.0001637200000000, 0.0003863300000000 ] - [ 0.0008683500000000, 0.0023711400000000, -0.0020699100000000 ] - [ 0.0015705700000000, -0.0021694900000000, 0.0038815200000000 ] - [ 0.0006093500000000, -0.0020646200000000, -0.0033173100000000 ] - [ 0.2930873200000000, 0.0047628600000000, -0.0149091800000000 ] - [ 0.0028598800000000, 0.0014450700000000, -0.0008223000000000 ] - [ -0.0071464400000000, -0.0215092400000000, 0.0006971800000000 ] - [ -0.0016342100000000, -0.0015027300000000, 0.0015288100000000 ] - [ 0.0171415700000000, 0.0008068300000000, -0.0013173700000000 ] - [ 0.0022779200000000, -0.0010235200000000, 0.0005516100000000 ] - [ -0.1650172100000000, -0.0006217600000000, -0.0217091300000000 ] - [ -0.0019596700000000, 0.0010256900000000, 0.0032434200000000 ] - [ 0.0149374300000000, -0.0017760900000000, -0.0012917600000000 ] - [ 0.0017401400000000, -0.0002818000000000, 0.0008279500000000 ] - [ -0.0016561700000000, 0.0008375700000000, 0.0000191900000000 ] - [ -0.0062950800000000, 0.0188178000000000, -0.0084862400000000 ] - [ -0.0054427900000000, -0.0003217600000000, -0.0008742900000000 ] - [ -0.1205936600000000, -0.0029167600000000, 0.0628143600000000 ] - [ -0.0046381200000000, 0.0166112300000000, 0.0115719500000000 ] - [ -0.0007304900000000, 0.0005779100000000, 0.0003728800000000 ]- atom: 87 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0006446200000000, -0.0195040200000000, 0.0568435400000000 ] - [ -0.0005007200000000, -0.0035265800000000, -0.0347900000000000 ] - [ 0.0013697000000000, 0.0012727300000000, 0.0012245000000000 ] - [ 0.0009982200000000, 0.0007182400000000, -0.0019152600000000 ] - [ -0.0008992800000000, 0.0010358800000000, -0.0031288600000000 ] - [ -0.0003221900000000, -0.0010567400000000, 0.0012055900000000 ] - [ 0.0012982600000000, -0.0011436800000000, -0.0030880900000000 ] - [ -0.0005141400000000, -0.0017319400000000, 0.0062532300000000 ] - [ -0.0006356400000000, 0.0024881700000000, 0.0056544600000000 ] - [ -0.0012490500000000, 0.0006960800000000, -0.0038299400000000 ] - [ 0.0012715800000000, 0.0013936400000000, -0.0011870100000000 ] - [ 0.0007115500000000, 0.0010124700000000, 0.0019129100000000 ] - [ 0.0015218000000000, -0.0018736100000000, -0.0341377200000000 ] - [ 0.0167718600000000, -0.0023516500000000, 0.0515064400000000 ] - [ 0.0034055300000000, -0.0016495000000000, 0.0005711300000000 ] - [ 0.0013498900000000, -0.0010893200000000, -0.0038646700000000 ] - [ -0.0043782900000000, -0.0012567000000000, 0.0022685600000000 ] - [ -0.0006437000000000, 0.0005554500000000, -0.0005679500000000 ] - [ 0.0000336700000000, 0.0006604700000000, -0.0015561300000000 ] - [ 0.0018187500000000, 0.0043202800000000, 0.0012816500000000 ] - [ -0.0004127000000000, 0.0014374300000000, -0.0041904800000000 ] - [ 0.0001379300000000, 0.0117023900000000, 0.0120525500000000 ] - [ -0.0106508100000000, -0.0006613300000000, 0.0125896900000000 ] - [ -0.0014233600000000, -0.0001745500000000, -0.0032006300000000 ] - [ -0.0039957700000000, -0.0012086500000000, 0.0030537200000000 ] - [ 0.0026165000000000, 0.0005478700000000, -0.0036366600000000 ] - [ 0.0001556500000000, 0.0007627200000000, -0.0011595300000000 ] - [ 0.0000757500000000, -0.0013506300000000, 0.0024576800000000 ] - [ -0.0005551800000000, -0.0028869600000000, -0.0026983000000000 ] - [ 0.0012082100000000, 0.0037450600000000, 0.0039780600000000 ] - [ 0.0016026200000000, -0.0000746300000000, 0.0015213600000000 ] - [ -0.0004977800000000, -0.0001577200000000, -0.0021035200000000 ] - [ -0.0001503900000000, -0.0236048000000000, -0.0024274200000000 ] - [ 0.0034277500000000, 0.0219046400000000, -0.0218346400000000 ] - [ 0.0044927300000000, -0.0019092700000000, 0.0013881900000000 ] - [ -0.0034370900000000, 0.0008504100000000, -0.0021515300000000 ] - [ -0.0008567700000000, 0.0034518700000000, -0.0016912900000000 ] - [ 0.0019084900000000, -0.0044914500000000, 0.0018268300000000 ] - [ 0.0012138700000000, -0.0011957400000000, 0.0014111500000000 ] - [ -0.0005083900000000, -0.0020481200000000, -0.0016046600000000 ] - [ 0.0037737200000000, 0.0006842400000000, -0.0056338300000000 ] - [ 0.0017930900000000, 0.0003837400000000, 0.0088050400000000 ] - [ -0.0017048400000000, -0.0000183000000000, -0.0014627000000000 ] - [ 0.0032598600000000, -0.0003721300000000, 0.0019302200000000 ] - [ 0.0004914200000000, -0.0089262600000000, 0.0054677000000000 ] - [ 0.0002664800000000, 0.0055328600000000, -0.0036093600000000 ] - [ -0.0052217800000000, 0.0002993100000000, -0.0037825700000000 ] - [ 0.0092811200000000, 0.0000760700000000, 0.0052800800000000 ] - [ 0.0017202200000000, -0.0000539000000000, -0.0017758500000000 ] - [ 0.0009332300000000, -0.0017939300000000, 0.0012180200000000 ] - [ -0.0001938300000000, -0.0029579700000000, 0.0021050500000000 ] - [ -0.0005423300000000, 0.0020205600000000, -0.0012907600000000 ] - [ 0.0002341200000000, -0.0032993500000000, 0.0088793300000000 ] - [ -0.0001174700000000, -0.0041090800000000, -0.0054668900000000 ] - [ 0.0001509800000000, -0.0005040300000000, 0.0000015100000000 ] - [ 0.0000870100000000, 0.0011722300000000, -0.0015720000000000 ] - [ -0.0212717400000000, -0.0033276700000000, -0.0210411900000000 ] - [ 0.0241473000000000, 0.0002694500000000, -0.0015352100000000 ] - [ -0.0004845300000000, -0.0000625600000000, 0.0000767100000000 ] - [ 0.0002901100000000, -0.0002960100000000, 0.0003711100000000 ] - [ -0.0003190200000000, -0.0050584800000000, -0.0014811600000000 ] - [ 0.0000821400000000, 0.0007372900000000, -0.0014864300000000 ] - [ -0.0014978600000000, 0.0000238100000000, -0.0005457000000000 ] - [ 0.0042623300000000, 0.0004203600000000, -0.0005776000000000 ] - [ -0.0004406300000000, -0.0001940300000000, -0.0006472500000000 ] - [ 0.0012224700000000, -0.0002605600000000, 0.0008914700000000 ] - [ 0.0001857000000000, -0.0010052800000000, -0.0005231800000000 ] - [ -0.0000397300000000, -0.0002522800000000, -0.0008484500000000 ] - [ 0.0019308200000000, -0.0019249400000000, -0.0069022700000000 ] - [ -0.0016278100000000, 0.0016387200000000, 0.0047729800000000 ] - [ 0.0266841200000000, 0.0456762700000000, 0.0874634500000000 ] - [ -0.0434071600000000, -0.0244881900000000, 0.0865476200000000 ] - [ -0.0009496900000000, 0.0020571300000000, 0.0016818400000000 ] - [ -0.0027061900000000, 0.0011638100000000, 0.0013419700000000 ] - [ -0.0008081100000000, -0.0003060400000000, 0.0000920800000000 ] - [ -0.0016605700000000, -0.0011422700000000, 0.0001264000000000 ] - [ 0.0007786100000000, 0.0007696000000000, 0.0012653000000000 ] - [ -0.0001185000000000, -0.0009953700000000, 0.0017622600000000 ] - [ 0.0012829000000000, 0.0012659300000000, 0.0001910600000000 ] - [ -0.0012561900000000, -0.0012718900000000, 0.0001987200000000 ] - [ 0.0032008500000000, -0.0020505400000000, -0.0014246100000000 ] - [ -0.0011368900000000, 0.0010134400000000, 0.0019357600000000 ] - [ -0.0010239200000000, 0.0011464600000000, 0.0014845800000000 ] - [ 0.0020389300000000, -0.0031826500000000, -0.0018575300000000 ] - [ -0.0052117800000000, -0.0051254900000000, 0.0033954000000000 ] - [ 0.0050895600000000, 0.0051687100000000, 0.0033897400000000 ] - [ 0.0151310600000000, -0.0133836400000000, -0.2304323900000000 ] - [ 0.0018760900000000, 0.0002320800000000, 0.0373308400000000 ] - [ -0.0003457500000000, -0.0017349600000000, -0.0036567800000000 ] - [ 0.0004634600000000, -0.0025996100000000, 0.0039401400000000 ] - [ 0.0023351100000000, 0.0208006200000000, -0.0153075300000000 ] - [ 0.0005164500000000, -0.0043140800000000, 0.0076177800000000 ] - [ -0.0225826000000000, -0.0002352600000000, -0.0151827400000000 ] - [ 0.0021733100000000, 0.0016167400000000, 0.0076147100000000 ] - [ -0.0012606300000000, 0.0235938600000000, -0.0135123500000000 ] - [ 0.0020652100000000, -0.0096429600000000, 0.0161935900000000 ] - [ 0.0006479000000000, -0.0027366900000000, 0.0041282600000000 ] - [ -0.0034065400000000, 0.0047939100000000, -0.0035621700000000 ] - [ 0.0097324400000000, -0.0023019500000000, 0.0159611900000000 ] - [ -0.0235597100000000, 0.0010217200000000, -0.0136303900000000 ] - [ -0.0045742200000000, 0.0033841000000000, -0.0033529100000000 ] - [ 0.0029382300000000, -0.0006428400000000, 0.0044029600000000 ]- atom: 95 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007285100000000, 0.0023140200000000, 0.0038497500000000 ] - [ -0.0007683500000000, -0.0008729700000000, -0.0006708200000000 ] - [ 0.0001072800000000, 0.0035900000000000, -0.0000817800000000 ] - [ 0.0004284300000000, 0.0011061400000000, -0.0006723500000000 ] - [ 0.0006238900000000, -0.0016528400000000, -0.0034020300000000 ] - [ 0.0001735700000000, 0.0012339500000000, -0.0008944300000000 ] - [ 0.0007511700000000, -0.0033541700000000, 0.0041392100000000 ] - [ -0.0004927000000000, -0.0016766400000000, -0.0033999500000000 ] - [ 0.0007285100000000, -0.0023140200000000, 0.0038497500000000 ] - [ -0.0007683500000000, 0.0008729700000000, -0.0006708200000000 ] - [ 0.0007511700000000, 0.0033541700000000, 0.0041392100000000 ] - [ -0.0004927000000000, 0.0016766400000000, -0.0033999500000000 ] - [ 0.0006238900000000, 0.0016528400000000, -0.0034020300000000 ] - [ 0.0001735700000000, -0.0012339500000000, -0.0008944300000000 ] - [ 0.0001072800000000, -0.0035900000000000, -0.0000817800000000 ] - [ 0.0004284300000000, -0.0011061400000000, -0.0006723500000000 ] - [ 0.0080985600000000, 0.0017274100000000, -0.0003256400000000 ] - [ 0.0018749700000000, 0.0003698900000000, 0.0005303000000000 ] - [ 0.0001892900000000, 0.0000000000000000, 0.0001228400000000 ] - [ -0.0001867500000000, 0.0000000000000000, -0.0017212100000000 ] - [ -0.0000067500000000, 0.0000000000000000, -0.0009613200000000 ] - [ 0.0021504600000000, 0.0000000000000000, -0.0005918500000000 ] - [ 0.0080985600000000, -0.0017274100000000, -0.0003256400000000 ] - [ 0.0018749700000000, -0.0003698900000000, 0.0005303000000000 ] - [ 0.0369703900000000, 0.0000000000000000, 0.0027645900000000 ] - [ 0.0006666800000000, 0.0000000000000000, -0.0006520000000000 ] - [ -0.0007393100000000, -0.0014874300000000, -0.0011777200000000 ] - [ -0.0120815300000000, -0.0185964800000000, 0.0140985700000000 ] - [ -0.0007393100000000, 0.0014874300000000, -0.0011777200000000 ] - [ -0.0120815300000000, 0.0185964800000000, 0.0140985700000000 ] - [ -0.0497360200000000, 0.0000000000000000, -0.0078223000000000 ] - [ -0.0016566900000000, 0.0000000000000000, -0.0008412400000000 ] - [ 0.0120273200000000, 0.0013531800000000, 0.0027377400000000 ] - [ 0.0009315700000000, 0.0003769900000000, -0.0003539500000000 ] - [ 0.0095334600000000, 0.0000000000000000, -0.0153821800000000 ] - [ 0.0013523300000000, 0.0000000000000000, -0.0006798300000000 ] - [ -0.0008937500000000, 0.0000000000000000, 0.0000351600000000 ] - [ -0.0013008800000000, 0.0000000000000000, 0.0001783400000000 ] - [ -0.0089264100000000, -0.0233697900000000, -0.0111542400000000 ] - [ -0.0006437900000000, -0.0002745800000000, 0.0008985500000000 ] - [ -0.0001987300000000, 0.0004163100000000, -0.0002247300000000 ] - [ 0.0050833400000000, 0.0017269100000000, -0.0001188300000000 ] - [ -0.0023171700000000, -0.0004151500000000, -0.0008703600000000 ] - [ -0.0107049400000000, -0.0003696600000000, -0.0041813200000000 ] - [ 0.0179206600000000, -0.0105054400000000, 0.0126390600000000 ] - [ 0.0008893600000000, 0.0006458200000000, -0.0000900000000000 ] - [ -0.0023171700000000, 0.0004151500000000, -0.0008703600000000 ] - [ -0.0107049400000000, 0.0003696600000000, -0.0041813200000000 ] - [ -0.0001987300000000, -0.0004163100000000, -0.0002247300000000 ] - [ 0.0050833400000000, -0.0017269100000000, -0.0001188300000000 ] - [ -0.0089264100000000, 0.0233697900000000, -0.0111542400000000 ] - [ -0.0006437900000000, 0.0002745800000000, 0.0008985500000000 ] - [ 0.0179206600000000, 0.0105054400000000, 0.0126390600000000 ] - [ 0.0008893600000000, -0.0006458200000000, -0.0000900000000000 ] - [ -0.0084574800000000, -0.0100530300000000, 0.0062612400000000 ] - [ -0.0010904300000000, 0.0004241000000000, -0.0011840300000000 ] - [ -0.0008925400000000, 0.0031246500000000, -0.0023836300000000 ] - [ 0.0016208400000000, 0.0006092800000000, 0.0010132600000000 ] - [ -0.0057946700000000, 0.0022629900000000, 0.0028111700000000 ] - [ -0.0038389300000000, -0.0007258400000000, 0.0020405800000000 ] - [ 0.0120273200000000, -0.0013531800000000, 0.0027377400000000 ] - [ 0.0009315700000000, -0.0003769900000000, -0.0003539500000000 ] - [ -0.0057946700000000, -0.0022629900000000, 0.0028111700000000 ] - [ -0.0038389300000000, 0.0007258400000000, 0.0020405800000000 ] - [ -0.0008925400000000, -0.0031246500000000, -0.0023836300000000 ] - [ 0.0016208400000000, -0.0006092800000000, 0.0010132600000000 ] - [ -0.0084574800000000, 0.0100530300000000, 0.0062612400000000 ] - [ -0.0010904300000000, -0.0004241000000000, -0.0011840300000000 ] - [ 0.0857861600000000, 0.0000000000000000, -0.0433217800000000 ] - [ 0.0009896800000000, 0.0000000000000000, 0.0019481200000000 ] - [ -0.0024135400000000, -0.0153591000000000, 0.0047956400000000 ] - [ -0.0015472400000000, 0.0005052900000000, 0.0004984300000000 ] - [ 0.0047163200000000, 0.0130635500000000, -0.0055029700000000 ] - [ 0.0042141600000000, 0.0009789600000000, 0.0024583100000000 ] - [ 0.0047163200000000, -0.0130635500000000, -0.0055029700000000 ] - [ 0.0042141600000000, -0.0009789600000000, 0.0024583100000000 ] - [ -0.0024135400000000, 0.0153591000000000, 0.0047956400000000 ] - [ -0.0015472400000000, -0.0005052900000000, 0.0004984300000000 ] - [ 0.0094185100000000, 0.0000000000000000, 0.0099463400000000 ] - [ 0.0006910200000000, 0.0000000000000000, -0.0019749100000000 ] - [ 0.0010965700000000, 0.0000000000000000, 0.0002376200000000 ] - [ 0.0001598600000000, 0.0000000000000000, 0.0000291100000000 ] - [ -0.0016403300000000, 0.0000000000000000, -0.0080408800000000 ] - [ -0.0002407500000000, 0.0000000000000000, 0.0064824500000000 ] - [ -0.0011603700000000, 0.0000000000000000, -0.0005402200000000 ] - [ -0.0004692400000000, 0.0000000000000000, 0.0004824800000000 ] - [ -0.0140036500000000, 0.0040063100000000, -0.0011424600000000 ] - [ -0.0007883900000000, 0.0012723700000000, 0.0021972900000000 ] - [ 0.0037577200000000, -0.0198081700000000, 0.0046734100000000 ] - [ -0.0002210700000000, -0.0017934700000000, -0.0028299000000000 ] - [ -0.0140036500000000, -0.0040063100000000, -0.0011424600000000 ] - [ -0.0007883900000000, -0.0012723700000000, 0.0021972900000000 ] - [ 0.0037577200000000, 0.0198081700000000, 0.0046734100000000 ] - [ -0.0002210700000000, 0.0017934700000000, -0.0028299000000000 ] - [ -0.2075119600000000, 0.0000000000000000, -0.0199224900000000 ] - [ -0.0028476100000000, 0.0000000000000000, 0.0003924000000000 ] - [ 0.0055435200000000, 0.0023495100000000, 0.0014973400000000 ] - [ 0.0058995900000000, 0.0159144300000000, 0.0006163700000000 ] - [ 0.0055435200000000, -0.0023495100000000, 0.0014973400000000 ] - [ 0.0058995900000000, -0.0159144300000000, 0.0006163700000000 ] - [ 0.1182928300000000, 0.0000000000000000, 0.0256773700000000 ] - [ 0.0014141400000000, 0.0000000000000000, -0.0000347600000000 ]- atom: 95 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0031017800000000, -0.0042897800000000, -0.0045347700000000 ] - [ -0.0016179300000000, -0.0011128800000000, -0.0000695000000000 ] - [ 0.0022705500000000, -0.0016181000000000, -0.0005978600000000 ] - [ 0.0019564000000000, 0.0008768300000000, -0.0000620500000000 ] - [ -0.0025934400000000, 0.0040252200000000, 0.0041282300000000 ] - [ -0.0021567800000000, 0.0011459300000000, 0.0015908900000000 ] - [ 0.0012337500000000, 0.0009733000000000, -0.0034190500000000 ] - [ 0.0024750500000000, -0.0007008400000000, 0.0040966900000000 ] - [ -0.0031017800000000, 0.0042897800000000, -0.0045347700000000 ] - [ -0.0016179300000000, 0.0011128800000000, -0.0000695000000000 ] - [ 0.0012337500000000, -0.0009733000000000, -0.0034190500000000 ] - [ 0.0024750500000000, 0.0007008400000000, 0.0040966900000000 ] - [ -0.0025934400000000, -0.0040252200000000, 0.0041282300000000 ] - [ -0.0021567800000000, -0.0011459300000000, 0.0015908900000000 ] - [ 0.0022705500000000, 0.0016181000000000, -0.0005978600000000 ] - [ 0.0019564000000000, -0.0008768300000000, -0.0000620500000000 ] - [ -0.0081760600000000, -0.0011117800000000, 0.0013231000000000 ] - [ -0.0018688600000000, 0.0002147900000000, 0.0004517500000000 ] - [ 0.0003938200000000, 0.0000000000000000, -0.0011115300000000 ] - [ 0.0007431900000000, 0.0000000000000000, 0.0007261800000000 ] - [ -0.0005780900000000, 0.0000000000000000, -0.0000291500000000 ] - [ -0.0027370000000000, 0.0000000000000000, -0.0003779300000000 ] - [ -0.0081760600000000, 0.0011117800000000, 0.0013231000000000 ] - [ -0.0018688600000000, -0.0002147900000000, 0.0004517500000000 ] - [ -0.0313053800000000, 0.0000000000000000, -0.0048262900000000 ] - [ -0.0009267200000000, 0.0000000000000000, -0.0002933200000000 ] - [ 0.0007391200000000, 0.0017426400000000, 0.0021026100000000 ] - [ 0.0120182100000000, 0.0187350700000000, -0.0130680400000000 ] - [ 0.0007391200000000, -0.0017426400000000, 0.0021026100000000 ] - [ 0.0120182100000000, -0.0187350700000000, -0.0130680400000000 ] - [ 0.0498834200000000, 0.0000000000000000, 0.0069006000000000 ] - [ 0.0019256200000000, 0.0000000000000000, -0.0001002500000000 ] - [ -0.0121380700000000, -0.0000914900000000, -0.0040869200000000 ] - [ -0.0008239900000000, 0.0003616100000000, -0.0005673300000000 ] - [ -0.0159240700000000, 0.0000000000000000, 0.0160248700000000 ] - [ -0.0013610700000000, 0.0000000000000000, 0.0002129100000000 ] - [ 0.0008950600000000, 0.0000000000000000, 0.0004260500000000 ] - [ 0.0013125200000000, 0.0000000000000000, 0.0002648000000000 ] - [ 0.0084278500000000, 0.0229998000000000, 0.0112964600000000 ] - [ 0.0000788800000000, -0.0000414000000000, -0.0007311500000000 ] - [ -0.0001235400000000, 0.0001521200000000, 0.0000512000000000 ] - [ -0.0053397700000000, -0.0011704500000000, -0.0000548500000000 ] - [ 0.0026369200000000, -0.0001511800000000, 0.0006984500000000 ] - [ 0.0109890400000000, -0.0002065800000000, 0.0040127800000000 ] - [ -0.0171525900000000, 0.0099537100000000, -0.0117105800000000 ] - [ -0.0003247600000000, -0.0003167500000000, 0.0002480900000000 ] - [ 0.0026369200000000, 0.0001511800000000, 0.0006984500000000 ] - [ 0.0109890400000000, 0.0002065800000000, 0.0040127800000000 ] - [ -0.0001235400000000, -0.0001521200000000, 0.0000512000000000 ] - [ -0.0053397700000000, 0.0011704500000000, -0.0000548500000000 ] - [ 0.0084278500000000, -0.0229998000000000, 0.0112964600000000 ] - [ 0.0000788800000000, 0.0000414000000000, -0.0007311500000000 ] - [ -0.0171525900000000, -0.0099537100000000, -0.0117105800000000 ] - [ -0.0003247600000000, 0.0003167500000000, 0.0002480900000000 ] - [ 0.0083684500000000, 0.0107749500000000, -0.0071453100000000 ] - [ 0.0009839400000000, 0.0003183200000000, 0.0002602100000000 ] - [ 0.0016201100000000, -0.0029957500000000, 0.0033000400000000 ] - [ -0.0009056500000000, -0.0004888100000000, -0.0001187000000000 ] - [ 0.0050566800000000, -0.0023793000000000, -0.0018986100000000 ] - [ 0.0031242000000000, 0.0006059900000000, -0.0011501600000000 ] - [ -0.0121380700000000, 0.0000914900000000, -0.0040869200000000 ] - [ -0.0008239900000000, -0.0003616100000000, -0.0005673300000000 ] - [ 0.0050566800000000, 0.0023793000000000, -0.0018986100000000 ] - [ 0.0031242000000000, -0.0006059900000000, -0.0011501600000000 ] - [ 0.0016201100000000, 0.0029957500000000, 0.0033000400000000 ] - [ -0.0009056500000000, 0.0004888100000000, -0.0001187000000000 ] - [ 0.0083684500000000, -0.0107749500000000, -0.0071453100000000 ] - [ 0.0009839400000000, -0.0003183200000000, 0.0002602100000000 ] - [ -0.0850407300000000, 0.0000000000000000, 0.0428881700000000 ] - [ -0.0009886900000000, 0.0000000000000000, -0.0019316200000000 ] - [ 0.0043166800000000, 0.0172141700000000, -0.0048995300000000 ] - [ 0.0035049400000000, 0.0014458700000000, -0.0004679200000000 ] - [ -0.0066648100000000, -0.0111366300000000, 0.0054814000000000 ] - [ -0.0061792400000000, 0.0009619700000000, -0.0024288800000000 ] - [ -0.0066648100000000, 0.0111366300000000, 0.0054814000000000 ] - [ -0.0061792400000000, -0.0009619700000000, -0.0024288800000000 ] - [ 0.0043166800000000, -0.0172141700000000, -0.0048995300000000 ] - [ 0.0035049400000000, -0.0014458700000000, -0.0004679200000000 ] - [ -0.0093369300000000, 0.0000000000000000, -0.0098497200000000 ] - [ -0.0006921100000000, 0.0000000000000000, 0.0019634900000000 ] - [ -0.0010953000000000, 0.0000000000000000, 0.0001993600000000 ] - [ -0.0001585000000000, 0.0000000000000000, 0.0004281700000000 ] - [ 0.0016350900000000, 0.0000000000000000, 0.0076716300000000 ] - [ 0.0002492400000000, 0.0000000000000000, -0.0069780700000000 ] - [ 0.0011600200000000, 0.0000000000000000, 0.0005316300000000 ] - [ 0.0004701200000000, 0.0000000000000000, -0.0004741200000000 ] - [ 0.0161105400000000, -0.0016452800000000, 0.0011421000000000 ] - [ 0.0029104300000000, 0.0008437300000000, -0.0021719900000000 ] - [ -0.0058082100000000, 0.0177116000000000, -0.0046909900000000 ] - [ -0.0019000200000000, -0.0003249800000000, 0.0028464100000000 ] - [ 0.0161105400000000, 0.0016452800000000, 0.0011421000000000 ] - [ 0.0029104300000000, -0.0008437300000000, -0.0021719900000000 ] - [ -0.0058082100000000, -0.0177116000000000, -0.0046909900000000 ] - [ -0.0019000200000000, 0.0003249800000000, 0.0028464100000000 ] - [ 0.2076593200000000, 0.0000000000000000, 0.0197854100000000 ] - [ 0.0026321200000000, 0.0000000000000000, -0.0001028200000000 ] - [ -0.0055365800000000, -0.0021160000000000, -0.0017420400000000 ] - [ -0.0059187900000000, -0.0155560800000000, -0.0008477000000000 ] - [ -0.0055365800000000, 0.0021160000000000, -0.0017420400000000 ] - [ -0.0059187900000000, 0.0155560800000000, -0.0008477000000000 ] - [ -0.1185990600000000, 0.0000000000000000, -0.0253962900000000 ] - [ -0.0011976200000000, 0.0000000000000000, 0.0003148800000000 ]- atom: 95 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010457400000000, -0.0152313500000000, -0.0026517700000000 ] - [ -0.0010358700000000, -0.0013824400000000, -0.0030587300000000 ] - [ 0.0020734400000000, 0.0011946900000000, -0.0017540500000000 ] - [ 0.0009986300000000, 0.0009445200000000, 0.0001723400000000 ] - [ 0.0018916900000000, -0.0095969800000000, -0.0164527300000000 ] - [ -0.0026395900000000, -0.0034073200000000, 0.0117735100000000 ] - [ 0.0009362800000000, -0.0013430100000000, 0.0016019100000000 ] - [ 0.0004766600000000, -0.0010117400000000, -0.0013302400000000 ] - [ -0.0013281600000000, -0.0132461400000000, 0.0020321800000000 ] - [ -0.0013517200000000, 0.0006028300000000, 0.0023263300000000 ] - [ 0.0010533500000000, 0.0010459800000000, -0.0008836600000000 ] - [ 0.0015158500000000, 0.0013750100000000, 0.0020415200000000 ] - [ -0.0038892600000000, -0.0119855500000000, 0.0171549400000000 ] - [ 0.0006537400000000, -0.0058051800000000, -0.0111258900000000 ] - [ 0.0003159700000000, -0.0007931700000000, 0.0010500600000000 ] - [ 0.0013904200000000, -0.0010422000000000, -0.0008957500000000 ] - [ 0.0238110900000000, -0.0087736000000000, 0.0021354400000000 ] - [ 0.0021222800000000, -0.0002601500000000, -0.0000159900000000 ] - [ 0.0002933000000000, -0.0037312000000000, -0.0004944600000000 ] - [ 0.0002944600000000, -0.0152630500000000, -0.0004953700000000 ] - [ -0.0002931200000000, -0.0100696800000000, -0.0004947200000000 ] - [ -0.0002882300000000, -0.0639872500000000, -0.0004658500000000 ] - [ -0.0238717500000000, -0.0093048800000000, -0.0011248600000000 ] - [ -0.0021138500000000, -0.0008471000000000, 0.0009998000000000 ] - [ -0.0005341800000000, 0.0192131600000000, -0.0003856800000000 ] - [ -0.0001331300000000, 0.0012586800000000, -0.0004715600000000 ] - [ -0.0007571800000000, 0.0022655900000000, -0.0008587300000000 ] - [ -0.0013661700000000, 0.0042220100000000, -0.0002817900000000 ] - [ 0.0007545300000000, 0.0019996300000000, 0.0017970200000000 ] - [ 0.0013726200000000, 0.0039578700000000, 0.0012140100000000 ] - [ 0.0001135300000000, 0.0019698700000000, -0.0004667300000000 ] - [ 0.0001362800000000, 0.0009235100000000, -0.0004704400000000 ] - [ 0.0015874100000000, 0.0008580700000000, -0.0062732200000000 ] - [ 0.0000961200000000, 0.0039212100000000, -0.0040364200000000 ] - [ 0.0003346100000000, 0.0203519500000000, -0.0003436700000000 ] - [ -0.0000026200000000, 0.0010009200000000, -0.0002291200000000 ] - [ -0.0000010200000000, -0.0081367000000000, 0.0002295100000000 ] - [ -0.0000043200000000, -0.0128621700000000, 0.0002289100000000 ] - [ -0.0012230200000000, 0.0059565600000000, 0.0028396000000000 ] - [ -0.0003534600000000, 0.0014020200000000, 0.0008378400000000 ] - [ 0.0006614600000000, -0.0004485100000000, 0.0005673300000000 ] - [ 0.0173246200000000, -0.0065953400000000, -0.0079918300000000 ] - [ -0.0021347500000000, -0.0009768000000000, -0.0013824100000000 ] - [ -0.0001363700000000, -0.0015099600000000, -0.0004266200000000 ] - [ -0.0115526700000000, 0.0668800700000000, -0.0783777600000000 ] - [ 0.0002389100000000, 0.0040460000000000, -0.0029577600000000 ] - [ 0.0024545100000000, -0.0004156200000000, 0.0012108100000000 ] - [ 0.0004397500000000, -0.0009510200000000, 0.0002562200000000 ] - [ -0.0009864400000000, -0.0010129500000000, -0.0007425200000000 ] - [ -0.0176296600000000, -0.0071858600000000, 0.0078405600000000 ] - [ 0.0006432800000000, 0.0062852200000000, -0.0026798300000000 ] - [ -0.0002100300000000, 0.0017153700000000, -0.0006616300000000 ] - [ 0.0114753500000000, 0.0618710600000000, 0.0736057500000000 ] - [ 0.0003247700000000, 0.0037236700000000, 0.0031194800000000 ] - [ -0.0002126000000000, 0.0020981200000000, -0.0011347800000000 ] - [ 0.0001714400000000, 0.0018019900000000, -0.0013508100000000 ] - [ 0.0138723000000000, -0.0102027400000000, 0.0093569900000000 ] - [ 0.0023714700000000, 0.0000354800000000, -0.0009577900000000 ] - [ -0.0011340800000000, -0.0000148800000000, -0.0000116300000000 ] - [ -0.0012713200000000, 0.0000734500000000, 0.0019626300000000 ] - [ -0.0012646600000000, 0.0009016100000000, 0.0064943600000000 ] - [ 0.0000058200000000, 0.0031805000000000, 0.0031345600000000 ] - [ 0.0004014600000000, 0.0000876300000000, 0.0009259000000000 ] - [ 0.0005599800000000, 0.0001799400000000, -0.0010669300000000 ] - [ -0.0131606700000000, -0.0103251600000000, -0.0084751700000000 ] - [ -0.0016609400000000, -0.0000770000000000, 0.0018571200000000 ] - [ 0.0001002700000000, 0.0013775800000000, 0.0002306700000000 ] - [ -0.0002711500000000, 0.0010672800000000, 0.0004328900000000 ] - [ -0.0000335200000000, -0.0079693100000000, -0.0000503500000000 ] - [ 0.0000014900000000, -0.0039342100000000, 0.0000008600000000 ] - [ -0.0112429800000000, 0.0578080200000000, -0.0247743000000000 ] - [ -0.0035386400000000, -0.0023194100000000, 0.0100978100000000 ] - [ -0.0008847400000000, -0.0006174100000000, -0.0013382600000000 ] - [ -0.0013509900000000, -0.0006929600000000, 0.0020386100000000 ] - [ -0.0010722800000000, -0.0025853700000000, 0.0013261900000000 ] - [ -0.0006249200000000, -0.0026424300000000, -0.0020258500000000 ] - [ 0.0132655900000000, 0.0561809100000000, 0.0250015300000000 ] - [ 0.0054890700000000, -0.0042419800000000, -0.0100807700000000 ] - [ -0.0000027500000000, -0.0043218900000000, -0.0000028500000000 ] - [ 0.0000019600000000, -0.0012345500000000, 0.0000006600000000 ] - [ 0.0000037700000000, 0.0033297000000000, 0.0002217800000000 ] - [ 0.0000007400000000, 0.0011770400000000, 0.0002263200000000 ] - [ -0.0000008800000000, -0.0049151700000000, -0.0002314500000000 ] - [ -0.0000176100000000, -0.0057904200000000, -0.0002409500000000 ] - [ -0.0000034700000000, 0.0040238300000000, 0.0000005500000000 ] - [ 0.0000000300000000, 0.0021281000000000, -0.0000005100000000 ] - [ 0.0027541800000000, 0.1219725200000000, 0.0234479200000000 ] - [ 0.0013406500000000, 0.0065027600000000, -0.0096743700000000 ] - [ -0.0176505200000000, 0.0052122200000000, -0.0033981800000000 ] - [ -0.0016418000000000, 0.0005909300000000, 0.0006484400000000 ] - [ -0.0005974100000000, 0.1201031700000000, -0.0237042500000000 ] - [ 0.0007881300000000, 0.0043789600000000, 0.0097009800000000 ] - [ 0.0155224000000000, 0.0073454000000000, 0.0033937700000000 ] - [ -0.0004906100000000, 0.0027246800000000, -0.0006415100000000 ] - [ 0.0003445300000000, -0.3419016500000000, 0.0040121400000000 ] - [ -0.0001088200000000, -0.0101074700000000, 0.0001279800000000 ] - [ 0.0083330100000000, 0.0056489000000000, 0.0074290300000000 ] - [ 0.0127416700000000, 0.0060225500000000, -0.0097871700000000 ] - [ -0.0083125200000000, 0.0054326300000000, -0.0076740700000000 ] - [ -0.0127110900000000, 0.0057971700000000, 0.0095405000000000 ] - [ 0.0001852400000000, -0.0115669700000000, 0.0001283800000000 ] - [ 0.0001032000000000, -0.0035306900000000, 0.0001300900000000 ]- atom: 95 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0034865300000000, 0.0125528200000000, 0.0259134900000000 ] - [ -0.0023313200000000, -0.0019197500000000, -0.0097248300000000 ] - [ -0.0000881400000000, -0.0007111400000000, 0.0057136800000000 ] - [ 0.0020712300000000, 0.0014531900000000, -0.0049186300000000 ] - [ 0.0009481000000000, -0.0104355700000000, -0.0120271500000000 ] - [ 0.0007271900000000, 0.0035296400000000, -0.0096197000000000 ] - [ 0.0012694500000000, -0.0005953900000000, 0.0008507900000000 ] - [ 0.0005073700000000, -0.0004478700000000, -0.0018165600000000 ] - [ 0.0034865300000000, -0.0125528200000000, 0.0259134900000000 ] - [ -0.0023313200000000, 0.0019197500000000, -0.0097248300000000 ] - [ 0.0012694500000000, 0.0005953900000000, 0.0008507900000000 ] - [ 0.0005073700000000, 0.0004478700000000, -0.0018165600000000 ] - [ 0.0009481000000000, 0.0104355700000000, -0.0120271500000000 ] - [ 0.0007271900000000, -0.0035296400000000, -0.0096197000000000 ] - [ -0.0000881400000000, 0.0007111400000000, 0.0057136800000000 ] - [ 0.0020712300000000, -0.0014531900000000, -0.0049186300000000 ] - [ -0.0191454700000000, 0.0043087000000000, 0.0028291200000000 ] - [ 0.0020631800000000, 0.0002137400000000, -0.0011610100000000 ] - [ 0.0002536000000000, 0.0000000000000000, -0.0010066000000000 ] - [ -0.0023090900000000, 0.0000000000000000, -0.0004034500000000 ] - [ -0.0001777400000000, 0.0000000000000000, -0.0033888400000000 ] - [ -0.0014892700000000, 0.0000000000000000, 0.0000051400000000 ] - [ -0.0191454700000000, -0.0043087000000000, 0.0028291200000000 ] - [ 0.0020631800000000, -0.0002137400000000, -0.0011610100000000 ] - [ -0.0155267500000000, 0.0000000000000000, 0.0221989600000000 ] - [ 0.0005866700000000, 0.0000000000000000, -0.0032797700000000 ] - [ -0.0011821700000000, 0.0003656100000000, -0.0015468300000000 ] - [ 0.0027384100000000, -0.0009890900000000, 0.0006365800000000 ] - [ -0.0011821700000000, -0.0003656100000000, -0.0015468300000000 ] - [ 0.0027384100000000, 0.0009890900000000, 0.0006365800000000 ] - [ 0.0065395500000000, 0.0000000000000000, 0.0040899800000000 ] - [ -0.0009583700000000, 0.0000000000000000, -0.0026933500000000 ] - [ 0.0029667500000000, -0.0021031800000000, 0.0343044800000000 ] - [ -0.0002525900000000, 0.0027458400000000, -0.0068915100000000 ] - [ 0.0184067800000000, 0.0000000000000000, 0.0218514500000000 ] - [ 0.0003226600000000, 0.0000000000000000, -0.0030972800000000 ] - [ -0.0012206900000000, 0.0000000000000000, -0.0007446500000000 ] - [ 0.0016739400000000, 0.0000000000000000, -0.0015817300000000 ] - [ 0.0004681800000000, 0.0115385300000000, 0.0066297400000000 ] - [ 0.0000684400000000, -0.0016386600000000, -0.0018033300000000 ] - [ 0.0002680800000000, 0.0005883600000000, -0.0020326000000000 ] - [ 0.0116520400000000, -0.0033003800000000, -0.0024786200000000 ] - [ -0.0035190500000000, -0.0006004800000000, -0.0024904100000000 ] - [ 0.0017653500000000, -0.0006411300000000, 0.0017646600000000 ] - [ 0.0119272700000000, -0.0432552800000000, 0.0877561800000000 ] - [ 0.0000633900000000, 0.0030708300000000, -0.0048151700000000 ] - [ -0.0035190500000000, 0.0006004800000000, -0.0024904100000000 ] - [ 0.0017653500000000, 0.0006411300000000, 0.0017646600000000 ] - [ 0.0002680800000000, -0.0005883600000000, -0.0020326000000000 ] - [ 0.0116520400000000, 0.0033003800000000, -0.0024786200000000 ] - [ 0.0004681800000000, -0.0115385300000000, 0.0066297400000000 ] - [ 0.0000684400000000, 0.0016386600000000, -0.0018033300000000 ] - [ 0.0119272700000000, 0.0432552800000000, 0.0877561800000000 ] - [ 0.0000633900000000, -0.0030708300000000, -0.0048151700000000 ] - [ 0.0014108200000000, 0.0021650600000000, 0.0010487600000000 ] - [ 0.0003827900000000, 0.0018557000000000, -0.0032207000000000 ] - [ -0.0103481300000000, 0.0123263500000000, -0.0046185000000000 ] - [ 0.0001756100000000, 0.0001938600000000, -0.0025372600000000 ] - [ -0.0025701700000000, -0.0006938000000000, 0.0021485200000000 ] - [ 0.0024991300000000, -0.0006730900000000, -0.0026510200000000 ] - [ 0.0029667500000000, 0.0021031800000000, 0.0343044800000000 ] - [ -0.0002525900000000, -0.0027458400000000, -0.0068915100000000 ] - [ -0.0025701700000000, 0.0006938000000000, 0.0021485200000000 ] - [ 0.0024991300000000, 0.0006730900000000, -0.0026510200000000 ] - [ -0.0103481300000000, -0.0123263500000000, -0.0046185000000000 ] - [ 0.0001756100000000, -0.0001938600000000, -0.0025372600000000 ] - [ 0.0014108200000000, -0.0021650600000000, 0.0010487600000000 ] - [ 0.0003827900000000, -0.0018557000000000, -0.0032207000000000 ] - [ -0.0121059100000000, 0.0000000000000000, -0.0047336800000000 ] - [ 0.0009224400000000, 0.0000000000000000, 0.0047763200000000 ] - [ 0.0076036900000000, -0.0669220400000000, 0.0036626100000000 ] - [ -0.0008427300000000, 0.0007529700000000, 0.0142435400000000 ] - [ 0.0007490700000000, -0.0035061300000000, -0.0051231200000000 ] - [ -0.0033922700000000, 0.0003376000000000, 0.0056880800000000 ] - [ 0.0007490700000000, 0.0035061300000000, -0.0051231200000000 ] - [ -0.0033922700000000, -0.0003376000000000, 0.0056880800000000 ] - [ 0.0076036900000000, 0.0669220400000000, 0.0036626100000000 ] - [ -0.0008427300000000, -0.0007529700000000, 0.0142435400000000 ] - [ 0.0068124000000000, 0.0000000000000000, -0.0008611400000000 ] - [ -0.0007823500000000, 0.0000000000000000, 0.0022096700000000 ] - [ 0.0004019500000000, 0.0000000000000000, -0.0029536300000000 ] - [ -0.0000878100000000, 0.0000000000000000, 0.0023398800000000 ] - [ -0.0079626200000000, 0.0000000000000000, 0.0077033900000000 ] - [ 0.0067593200000000, 0.0000000000000000, 0.0070961900000000 ] - [ -0.0009948400000000, 0.0000000000000000, -0.0019997300000000 ] - [ 0.0008027300000000, 0.0000000000000000, 0.0021287400000000 ] - [ 0.0024505600000000, 0.0644951300000000, -0.0136291900000000 ] - [ 0.0003639500000000, 0.0002933500000000, 0.0161489400000000 ] - [ 0.0104287200000000, 0.0073299600000000, -0.0034609200000000 ] - [ -0.0008185400000000, -0.0012100400000000, 0.0042777800000000 ] - [ 0.0024505600000000, -0.0644951300000000, -0.0136291900000000 ] - [ 0.0003639500000000, -0.0002933500000000, 0.0161489400000000 ] - [ 0.0104287200000000, -0.0073299600000000, -0.0034609200000000 ] - [ -0.0008185400000000, 0.0012100400000000, 0.0042777800000000 ] - [ -0.0199169300000000, 0.0000000000000000, -0.3110458800000000 ] - [ 0.0001366100000000, 0.0000000000000000, 0.0148819900000000 ] - [ 0.0075969200000000, 0.0017353700000000, 0.0065667500000000 ] - [ -0.0096780000000000, 0.0008506900000000, 0.0064882000000000 ] - [ 0.0075969200000000, -0.0017353700000000, 0.0065667500000000 ] - [ -0.0096780000000000, -0.0008506900000000, 0.0064882000000000 ] - [ -0.0253288200000000, 0.0000000000000000, -0.0190727200000000 ] - [ 0.0002752700000000, 0.0000000000000000, 0.0073710700000000 ]- atom: 95 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0058357500000000, -0.0143763100000000, -0.0264002100000000 ] - [ -0.0000641800000000, -0.0000647400000000, 0.0089345500000000 ] - [ 0.0024633100000000, 0.0026930700000000, -0.0063698000000000 ] - [ 0.0003211600000000, 0.0005335800000000, 0.0041659600000000 ] - [ -0.0029262000000000, 0.0127224800000000, 0.0126505400000000 ] - [ -0.0026965700000000, -0.0011439600000000, 0.0102137100000000 ] - [ 0.0007219800000000, -0.0017954500000000, -0.0001155900000000 ] - [ 0.0014762700000000, -0.0019295800000000, 0.0024874900000000 ] - [ -0.0058357500000000, 0.0143763100000000, -0.0264002100000000 ] - [ -0.0000641800000000, 0.0000647400000000, 0.0089345500000000 ] - [ 0.0007219800000000, 0.0017954500000000, -0.0001155900000000 ] - [ 0.0014762700000000, 0.0019295800000000, 0.0024874900000000 ] - [ -0.0029262000000000, -0.0127224800000000, 0.0126505400000000 ] - [ -0.0026965700000000, 0.0011439600000000, 0.0102137100000000 ] - [ 0.0024633100000000, -0.0026930700000000, -0.0063698000000000 ] - [ 0.0003211600000000, -0.0005335800000000, 0.0041659600000000 ] - [ 0.0190306900000000, -0.0037319100000000, -0.0018173400000000 ] - [ -0.0020296000000000, 0.0003707700000000, 0.0021348500000000 ] - [ 0.0003327300000000, 0.0000000000000000, 0.0000170100000000 ] - [ 0.0028777200000000, 0.0000000000000000, -0.0005907500000000 ] - [ -0.0004077100000000, 0.0000000000000000, 0.0023756400000000 ] - [ 0.0008858200000000, 0.0000000000000000, -0.0009876100000000 ] - [ 0.0190306900000000, 0.0037319100000000, -0.0018173400000000 ] - [ -0.0020296000000000, -0.0003707700000000, 0.0021348500000000 ] - [ 0.0148501100000000, 0.0000000000000000, -0.0226740200000000 ] - [ -0.0008434600000000, 0.0000000000000000, 0.0023175300000000 ] - [ 0.0011646800000000, -0.0001135400000000, 0.0024745900000000 ] - [ -0.0027211700000000, 0.0012388000000000, 0.0002797700000000 ] - [ 0.0011646800000000, 0.0001135400000000, 0.0024745900000000 ] - [ -0.0027211700000000, -0.0012388000000000, 0.0002797700000000 ] - [ -0.0062770400000000, 0.0000000000000000, -0.0050012700000000 ] - [ 0.0012095100000000, 0.0000000000000000, 0.0017361300000000 ] - [ -0.0025947600000000, 0.0015514100000000, -0.0337918900000000 ] - [ 0.0003516900000000, -0.0019769500000000, 0.0059532500000000 ] - [ -0.0178302000000000, 0.0000000000000000, -0.0222016500000000 ] - [ -0.0003117900000000, 0.0000000000000000, 0.0026241500000000 ] - [ 0.0012077800000000, 0.0000000000000000, 0.0012008700000000 ] - [ -0.0016684800000000, 0.0000000000000000, 0.0020215800000000 ] - [ -0.0010609900000000, -0.0118645700000000, -0.0064679400000000 ] - [ -0.0006278600000000, 0.0013249500000000, 0.0019695800000000 ] - [ -0.0005931400000000, -0.0000194000000000, 0.0018460600000000 ] - [ -0.0118892700000000, 0.0038634300000000, 0.0022993700000000 ] - [ 0.0038036300000000, 0.0000355800000000, 0.0022993700000000 ] - [ -0.0014726200000000, 0.0000802300000000, -0.0019341700000000 ] - [ -0.0118721200000000, 0.0476353400000000, -0.0902679400000000 ] - [ 0.0004997300000000, -0.0027423600000000, 0.0049372200000000 ] - [ 0.0038036300000000, -0.0000355800000000, 0.0022993700000000 ] - [ -0.0014726200000000, -0.0000802300000000, -0.0019341700000000 ] - [ -0.0005931400000000, 0.0000194000000000, 0.0018460600000000 ] - [ -0.0118892700000000, -0.0038634300000000, 0.0022993700000000 ] - [ -0.0010609900000000, 0.0118645700000000, -0.0064679400000000 ] - [ -0.0006278600000000, -0.0013249500000000, 0.0019695800000000 ] - [ -0.0118721200000000, -0.0476353400000000, -0.0902679400000000 ] - [ 0.0004997300000000, 0.0027423600000000, 0.0049372200000000 ] - [ -0.0015332700000000, -0.0014700400000000, -0.0019142300000000 ] - [ -0.0004802200000000, -0.0011064000000000, 0.0022827400000000 ] - [ 0.0109830800000000, -0.0121180200000000, 0.0054764500000000 ] - [ 0.0005240300000000, -0.0000712000000000, 0.0034032700000000 ] - [ 0.0018080800000000, 0.0005947000000000, -0.0012113700000000 ] - [ -0.0031946200000000, 0.0005576000000000, 0.0035206100000000 ] - [ -0.0025947600000000, -0.0015514100000000, -0.0337918900000000 ] - [ 0.0003516900000000, 0.0019769500000000, 0.0059532500000000 ] - [ 0.0018080800000000, -0.0005947000000000, -0.0012113700000000 ] - [ -0.0031946200000000, -0.0005576000000000, 0.0035206100000000 ] - [ 0.0109830800000000, 0.0121180200000000, 0.0054764500000000 ] - [ 0.0005240300000000, 0.0000712000000000, 0.0034032700000000 ] - [ -0.0015332700000000, 0.0014700400000000, -0.0019142300000000 ] - [ -0.0004802200000000, 0.0011064000000000, 0.0022827400000000 ] - [ 0.0119819900000000, 0.0000000000000000, 0.0047259500000000 ] - [ -0.0009018500000000, 0.0000000000000000, -0.0047433000000000 ] - [ -0.0055021300000000, 0.0679699900000000, -0.0035075400000000 ] - [ 0.0027934000000000, 0.0011454800000000, -0.0141160000000000 ] - [ -0.0026810900000000, 0.0054841100000000, 0.0050503900000000 ] - [ 0.0014093400000000, 0.0015958600000000, -0.0056186600000000 ] - [ -0.0026810900000000, -0.0054841100000000, 0.0050503900000000 ] - [ 0.0014093400000000, -0.0015958600000000, -0.0056186600000000 ] - [ -0.0055021300000000, -0.0679699900000000, -0.0035075400000000 ] - [ 0.0027934000000000, -0.0011454800000000, -0.0141160000000000 ] - [ -0.0067340400000000, 0.0000000000000000, 0.0008342300000000 ] - [ 0.0007880000000000, 0.0000000000000000, -0.0021936600000000 ] - [ -0.0003893100000000, 0.0000000000000000, 0.0033719400000000 ] - [ 0.0000898400000000, 0.0000000000000000, -0.0018709300000000 ] - [ 0.0078371600000000, 0.0000000000000000, -0.0080652900000000 ] - [ -0.0068282200000000, 0.0000000000000000, -0.0076057600000000 ] - [ 0.0009735800000000, 0.0000000000000000, 0.0019817900000000 ] - [ -0.0007981900000000, 0.0000000000000000, -0.0021072200000000 ] - [ -0.0003007000000000, -0.0621059000000000, 0.0135085100000000 ] - [ 0.0017542300000000, 0.0018051600000000, -0.0160032200000000 ] - [ -0.0124833400000000, -0.0094589600000000, 0.0034539500000000 ] - [ -0.0013133900000000, -0.0009139000000000, -0.0042547000000000 ] - [ -0.0003007000000000, 0.0621059000000000, 0.0135085100000000 ] - [ 0.0017542300000000, -0.0018051600000000, -0.0160032200000000 ] - [ -0.0124833400000000, 0.0094589600000000, 0.0034539500000000 ] - [ -0.0013133900000000, 0.0009139000000000, -0.0042547000000000 ] - [ 0.0198839500000000, 0.0000000000000000, 0.3129373000000000 ] - [ -0.0003569400000000, 0.0000000000000000, -0.0145274400000000 ] - [ -0.0075048800000000, -0.0015022700000000, -0.0067719100000000 ] - [ 0.0096543200000000, -0.0006162700000000, -0.0066656400000000 ] - [ -0.0075048800000000, 0.0015022700000000, -0.0067719100000000 ] - [ 0.0096543200000000, 0.0006162700000000, -0.0066656400000000 ] - [ 0.0257423400000000, 0.0000000000000000, 0.0192627100000000 ] - [ -0.0000767800000000, 0.0000000000000000, -0.0070660400000000 ]