# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b7c83a3f-bcab-4c95-9321-3fd38a4f293f/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 Li10Si(PS6)2 / P4_2mc (105) / materials id 696129](https://mdr.nims.go.jp/datasets/74880e1e-33b3-4f4b-95db-c24c1aedf01a) ## 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: "P4_2mc" number: 105 Hall_symbol: "P 4c -2"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 8.672362090000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.672362090000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.338640840000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.233190650000000, 0.272932410000000, 0.291855450000000 ] mass: 6.941000 - symbol: Li # 2 coordinates: [ 0.766809350000000, 0.727067590000000, 0.291855450000000 ] mass: 6.941000 - symbol: Li # 3 coordinates: [ 0.272932410000000, 0.766809350000000, 0.791855450000000 ] mass: 6.941000 - symbol: Li # 4 coordinates: [ 0.727067590000000, 0.233190650000000, 0.791855450000000 ] mass: 6.941000 - symbol: Li # 5 coordinates: [ 0.233190650000000, 0.727067590000000, 0.291855450000000 ] mass: 6.941000 - symbol: Li # 6 coordinates: [ 0.766809350000000, 0.272932410000000, 0.291855450000000 ] mass: 6.941000 - symbol: Li # 7 coordinates: [ 0.272932410000000, 0.233190650000000, 0.791855450000000 ] mass: 6.941000 - symbol: Li # 8 coordinates: [ 0.727067590000000, 0.766809350000000, 0.791855450000000 ] mass: 6.941000 - symbol: Li # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.944357000000000 ] mass: 6.941000 - symbol: Li # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.444357000000000 ] mass: 6.941000 - symbol: Li # 11 coordinates: [ 0.500000000000000, 0.500000000000000, 0.545805180000000 ] mass: 6.941000 - symbol: Li # 12 coordinates: [ 0.500000000000000, 0.500000000000000, 0.045805180000000 ] mass: 6.941000 - symbol: Li # 13 coordinates: [ 0.256949170000000, 0.727874430000000, 0.033129400000000 ] mass: 6.941000 - symbol: Li # 14 coordinates: [ 0.743050830000000, 0.272125570000000, 0.033129400000000 ] mass: 6.941000 - symbol: Li # 15 coordinates: [ 0.272125570000000, 0.256949170000000, 0.533129400000000 ] mass: 6.941000 - symbol: Li # 16 coordinates: [ 0.727874430000000, 0.743050830000000, 0.533129400000000 ] mass: 6.941000 - symbol: Li # 17 coordinates: [ 0.272125570000000, 0.743050830000000, 0.533129400000000 ] mass: 6.941000 - symbol: Li # 18 coordinates: [ 0.727874430000000, 0.256949170000000, 0.533129400000000 ] mass: 6.941000 - symbol: Li # 19 coordinates: [ 0.256949170000000, 0.272125570000000, 0.033129400000000 ] mass: 6.941000 - symbol: Li # 20 coordinates: [ 0.743050830000000, 0.727874430000000, 0.033129400000000 ] mass: 6.941000 - symbol: Si # 21 coordinates: [ 0.500000000000000, 0.500000000000000, 0.797343380000000 ] mass: 28.085500 - symbol: Si # 22 coordinates: [ 0.500000000000000, 0.500000000000000, 0.297343380000000 ] mass: 28.085500 - symbol: P # 23 coordinates: [ 0.000000000000000, 0.000000000000000, 0.691432590000000 ] mass: 30.973762 - symbol: P # 24 coordinates: [ 0.000000000000000, 0.000000000000000, 0.191432590000000 ] mass: 30.973762 - symbol: P # 25 coordinates: [ 0.000000000000000, 0.500000000000000, 0.506467350000000 ] mass: 30.973762 - symbol: P # 26 coordinates: [ 0.500000000000000, 0.000000000000000, 0.006467350000000 ] mass: 30.973762 - symbol: S # 27 coordinates: [ 0.000000000000000, 0.696026900000000, 0.412150380000000 ] mass: 32.065000 - symbol: S # 28 coordinates: [ 0.000000000000000, 0.303973100000000, 0.412150380000000 ] mass: 32.065000 - symbol: S # 29 coordinates: [ 0.303973100000000, 0.000000000000000, 0.912150380000000 ] mass: 32.065000 - symbol: S # 30 coordinates: [ 0.696026900000000, 0.000000000000000, 0.912150380000000 ] mass: 32.065000 - symbol: S # 31 coordinates: [ 0.500000000000000, 0.191730890000000, 0.101360030000000 ] mass: 32.065000 - symbol: S # 32 coordinates: [ 0.500000000000000, 0.808269110000000, 0.101360030000000 ] mass: 32.065000 - symbol: S # 33 coordinates: [ 0.191730890000000, 0.500000000000000, 0.601360030000000 ] mass: 32.065000 - symbol: S # 34 coordinates: [ 0.808269110000000, 0.500000000000000, 0.601360030000000 ] mass: 32.065000 - symbol: S # 35 coordinates: [ 0.000000000000000, 0.801647760000000, 0.099252810000000 ] mass: 32.065000 - symbol: S # 36 coordinates: [ 0.000000000000000, 0.198352240000000, 0.099252810000000 ] mass: 32.065000 - symbol: S # 37 coordinates: [ 0.198352240000000, 0.000000000000000, 0.599252810000000 ] mass: 32.065000 - symbol: S # 38 coordinates: [ 0.801647760000000, 0.000000000000000, 0.599252810000000 ] mass: 32.065000 - symbol: S # 39 coordinates: [ 0.500000000000000, 0.296995150000000, 0.397335190000000 ] mass: 32.065000 - symbol: S # 40 coordinates: [ 0.500000000000000, 0.703004850000000, 0.397335190000000 ] mass: 32.065000 - symbol: S # 41 coordinates: [ 0.296995150000000, 0.500000000000000, 0.897335190000000 ] mass: 32.065000 - symbol: S # 42 coordinates: [ 0.703004850000000, 0.500000000000000, 0.897335190000000 ] mass: 32.065000 - symbol: S # 43 coordinates: [ 0.000000000000000, 0.194805330000000, 0.783758910000000 ] mass: 32.065000 - symbol: S # 44 coordinates: [ 0.000000000000000, 0.805194670000000, 0.783758910000000 ] mass: 32.065000 - symbol: S # 45 coordinates: [ 0.805194670000000, 0.000000000000000, 0.283758910000000 ] mass: 32.065000 - symbol: S # 46 coordinates: [ 0.194805330000000, 0.000000000000000, 0.283758910000000 ] mass: 32.065000 - symbol: S # 47 coordinates: [ 0.500000000000000, 0.700961740000000, 0.697072190000000 ] mass: 32.065000 - symbol: S # 48 coordinates: [ 0.500000000000000, 0.299038260000000, 0.697072190000000 ] mass: 32.065000 - symbol: S # 49 coordinates: [ 0.700961740000000, 0.500000000000000, 0.197072190000000 ] mass: 32.065000 - symbol: S # 50 coordinates: [ 0.299038260000000, 0.500000000000000, 0.197072190000000 ] mass: 32.065000 reciprocal_lattice: # without 2pi - [ 0.115308838540435, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.115308838540435, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.081046203789169 ] # c*unit_cell: lattice: - [ 8.672362090000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.672362090000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.338640840000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.233190650000000, 0.272932410000000, 0.291855450000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.766809350000000, 0.727067590000000, 0.291855450000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.272932410000000, 0.766809350000000, 0.791855450000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.727067590000000, 0.233190650000000, 0.791855450000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 5 coordinates: [ 0.233190650000000, 0.727067590000000, 0.291855450000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.766809350000000, 0.272932410000000, 0.291855450000000 ] mass: 6.941000 reduced_to: 6 - symbol: Li # 7 coordinates: [ 0.272932410000000, 0.233190650000000, 0.791855450000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 8 coordinates: [ 0.727067590000000, 0.766809350000000, 0.791855450000000 ] mass: 6.941000 reduced_to: 8 - symbol: Li # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.944357000000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.444357000000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 11 coordinates: [ 0.500000000000000, 0.500000000000000, 0.545805180000000 ] mass: 6.941000 reduced_to: 11 - symbol: Li # 12 coordinates: [ 0.500000000000000, 0.500000000000000, 0.045805180000000 ] mass: 6.941000 reduced_to: 12 - symbol: Li # 13 coordinates: [ 0.256949170000000, 0.727874430000000, 0.033129400000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 14 coordinates: [ 0.743050830000000, 0.272125570000000, 0.033129400000000 ] mass: 6.941000 reduced_to: 14 - symbol: Li # 15 coordinates: [ 0.272125570000000, 0.256949170000000, 0.533129400000000 ] mass: 6.941000 reduced_to: 15 - symbol: Li # 16 coordinates: [ 0.727874430000000, 0.743050830000000, 0.533129400000000 ] mass: 6.941000 reduced_to: 16 - symbol: Li # 17 coordinates: [ 0.272125570000000, 0.743050830000000, 0.533129400000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 18 coordinates: [ 0.727874430000000, 0.256949170000000, 0.533129400000000 ] mass: 6.941000 reduced_to: 18 - symbol: Li # 19 coordinates: [ 0.256949170000000, 0.272125570000000, 0.033129400000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 20 coordinates: [ 0.743050830000000, 0.727874430000000, 0.033129400000000 ] mass: 6.941000 reduced_to: 20 - symbol: Si # 21 coordinates: [ 0.500000000000000, 0.500000000000000, 0.797343380000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 22 coordinates: [ 0.500000000000000, 0.500000000000000, 0.297343380000000 ] mass: 28.085500 reduced_to: 22 - symbol: P # 23 coordinates: [ 0.000000000000000, 0.000000000000000, 0.691432590000000 ] mass: 30.973762 reduced_to: 23 - symbol: P # 24 coordinates: [ 0.000000000000000, 0.000000000000000, 0.191432590000000 ] mass: 30.973762 reduced_to: 24 - symbol: P # 25 coordinates: [ 0.000000000000000, 0.500000000000000, 0.506467350000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 26 coordinates: [ 0.500000000000000, 0.000000000000000, 0.006467350000000 ] mass: 30.973762 reduced_to: 26 - symbol: S # 27 coordinates: [ 0.000000000000000, 0.696026900000000, 0.412150380000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 28 coordinates: [ 0.000000000000000, 0.303973100000000, 0.412150380000000 ] mass: 32.065000 reduced_to: 28 - symbol: S # 29 coordinates: [ 0.303973100000000, 0.000000000000000, 0.912150380000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 30 coordinates: [ 0.696026900000000, 0.000000000000000, 0.912150380000000 ] mass: 32.065000 reduced_to: 30 - symbol: S # 31 coordinates: [ 0.500000000000000, 0.191730890000000, 0.101360030000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 32 coordinates: [ 0.500000000000000, 0.808269110000000, 0.101360030000000 ] mass: 32.065000 reduced_to: 32 - symbol: S # 33 coordinates: [ 0.191730890000000, 0.500000000000000, 0.601360030000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 34 coordinates: [ 0.808269110000000, 0.500000000000000, 0.601360030000000 ] mass: 32.065000 reduced_to: 34 - symbol: S # 35 coordinates: [ 0.000000000000000, 0.801647760000000, 0.099252810000000 ] mass: 32.065000 reduced_to: 35 - symbol: S # 36 coordinates: [ 0.000000000000000, 0.198352240000000, 0.099252810000000 ] mass: 32.065000 reduced_to: 36 - symbol: S # 37 coordinates: [ 0.198352240000000, 0.000000000000000, 0.599252810000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 38 coordinates: [ 0.801647760000000, 0.000000000000000, 0.599252810000000 ] mass: 32.065000 reduced_to: 38 - symbol: S # 39 coordinates: [ 0.500000000000000, 0.296995150000000, 0.397335190000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 40 coordinates: [ 0.500000000000000, 0.703004850000000, 0.397335190000000 ] mass: 32.065000 reduced_to: 40 - symbol: S # 41 coordinates: [ 0.296995150000000, 0.500000000000000, 0.897335190000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 42 coordinates: [ 0.703004850000000, 0.500000000000000, 0.897335190000000 ] mass: 32.065000 reduced_to: 42 - symbol: S # 43 coordinates: [ 0.000000000000000, 0.194805330000000, 0.783758910000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 44 coordinates: [ 0.000000000000000, 0.805194670000000, 0.783758910000000 ] mass: 32.065000 reduced_to: 44 - symbol: S # 45 coordinates: [ 0.805194670000000, 0.000000000000000, 0.283758910000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 46 coordinates: [ 0.194805330000000, 0.000000000000000, 0.283758910000000 ] mass: 32.065000 reduced_to: 46 - symbol: S # 47 coordinates: [ 0.500000000000000, 0.700961740000000, 0.697072190000000 ] mass: 32.065000 reduced_to: 47 - symbol: S # 48 coordinates: [ 0.500000000000000, 0.299038260000000, 0.697072190000000 ] mass: 32.065000 reduced_to: 48 - symbol: S # 49 coordinates: [ 0.700961740000000, 0.500000000000000, 0.197072190000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 50 coordinates: [ 0.299038260000000, 0.500000000000000, 0.197072190000000 ] mass: 32.065000 reduced_to: 50supercell: lattice: - [ 8.672362090000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.672362090000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 12.338640840000000 ] # c points: - symbol: Li # 1 coordinates: [ 0.233190650000000, 0.272932410000000, 0.291855450000000 ] mass: 6.941000 reduced_to: 1 - symbol: Li # 2 coordinates: [ 0.766809350000000, 0.727067590000000, 0.291855450000000 ] mass: 6.941000 reduced_to: 2 - symbol: Li # 3 coordinates: [ 0.272932410000000, 0.766809350000000, 0.791855450000000 ] mass: 6.941000 reduced_to: 3 - symbol: Li # 4 coordinates: [ 0.727067590000000, 0.233190650000000, 0.791855450000000 ] mass: 6.941000 reduced_to: 4 - symbol: Li # 5 coordinates: [ 0.233190650000000, 0.727067590000000, 0.291855450000000 ] mass: 6.941000 reduced_to: 5 - symbol: Li # 6 coordinates: [ 0.766809350000000, 0.272932410000000, 0.291855450000000 ] mass: 6.941000 reduced_to: 6 - symbol: Li # 7 coordinates: [ 0.272932410000000, 0.233190650000000, 0.791855450000000 ] mass: 6.941000 reduced_to: 7 - symbol: Li # 8 coordinates: [ 0.727067590000000, 0.766809350000000, 0.791855450000000 ] mass: 6.941000 reduced_to: 8 - symbol: Li # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.944357000000000 ] mass: 6.941000 reduced_to: 9 - symbol: Li # 10 coordinates: [ 0.000000000000000, 0.000000000000000, 0.444357000000000 ] mass: 6.941000 reduced_to: 10 - symbol: Li # 11 coordinates: [ 0.500000000000000, 0.500000000000000, 0.545805180000000 ] mass: 6.941000 reduced_to: 11 - symbol: Li # 12 coordinates: [ 0.500000000000000, 0.500000000000000, 0.045805180000000 ] mass: 6.941000 reduced_to: 12 - symbol: Li # 13 coordinates: [ 0.256949170000000, 0.727874430000000, 0.033129400000000 ] mass: 6.941000 reduced_to: 13 - symbol: Li # 14 coordinates: [ 0.743050830000000, 0.272125570000000, 0.033129400000000 ] mass: 6.941000 reduced_to: 14 - symbol: Li # 15 coordinates: [ 0.272125570000000, 0.256949170000000, 0.533129400000000 ] mass: 6.941000 reduced_to: 15 - symbol: Li # 16 coordinates: [ 0.727874430000000, 0.743050830000000, 0.533129400000000 ] mass: 6.941000 reduced_to: 16 - symbol: Li # 17 coordinates: [ 0.272125570000000, 0.743050830000000, 0.533129400000000 ] mass: 6.941000 reduced_to: 17 - symbol: Li # 18 coordinates: [ 0.727874430000000, 0.256949170000000, 0.533129400000000 ] mass: 6.941000 reduced_to: 18 - symbol: Li # 19 coordinates: [ 0.256949170000000, 0.272125570000000, 0.033129400000000 ] mass: 6.941000 reduced_to: 19 - symbol: Li # 20 coordinates: [ 0.743050830000000, 0.727874430000000, 0.033129400000000 ] mass: 6.941000 reduced_to: 20 - symbol: Si # 21 coordinates: [ 0.500000000000000, 0.500000000000000, 0.797343380000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 22 coordinates: [ 0.500000000000000, 0.500000000000000, 0.297343380000000 ] mass: 28.085500 reduced_to: 22 - symbol: P # 23 coordinates: [ 0.000000000000000, 0.000000000000000, 0.691432590000000 ] mass: 30.973762 reduced_to: 23 - symbol: P # 24 coordinates: [ 0.000000000000000, 0.000000000000000, 0.191432590000000 ] mass: 30.973762 reduced_to: 24 - symbol: P # 25 coordinates: [ 0.000000000000000, 0.500000000000000, 0.506467350000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 26 coordinates: [ 0.500000000000000, 0.000000000000000, 0.006467350000000 ] mass: 30.973762 reduced_to: 26 - symbol: S # 27 coordinates: [ 0.000000000000000, 0.696026900000000, 0.412150380000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 28 coordinates: [ 0.000000000000000, 0.303973100000000, 0.412150380000000 ] mass: 32.065000 reduced_to: 28 - symbol: S # 29 coordinates: [ 0.303973100000000, 0.000000000000000, 0.912150380000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 30 coordinates: [ 0.696026900000000, 0.000000000000000, 0.912150380000000 ] mass: 32.065000 reduced_to: 30 - symbol: S # 31 coordinates: [ 0.500000000000000, 0.191730890000000, 0.101360030000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 32 coordinates: [ 0.500000000000000, 0.808269110000000, 0.101360030000000 ] mass: 32.065000 reduced_to: 32 - symbol: S # 33 coordinates: [ 0.191730890000000, 0.500000000000000, 0.601360030000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 34 coordinates: [ 0.808269110000000, 0.500000000000000, 0.601360030000000 ] mass: 32.065000 reduced_to: 34 - symbol: S # 35 coordinates: [ 0.000000000000000, 0.801647760000000, 0.099252810000000 ] mass: 32.065000 reduced_to: 35 - symbol: S # 36 coordinates: [ 0.000000000000000, 0.198352240000000, 0.099252810000000 ] mass: 32.065000 reduced_to: 36 - symbol: S # 37 coordinates: [ 0.198352240000000, 0.000000000000000, 0.599252810000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 38 coordinates: [ 0.801647760000000, 0.000000000000000, 0.599252810000000 ] mass: 32.065000 reduced_to: 38 - symbol: S # 39 coordinates: [ 0.500000000000000, 0.296995150000000, 0.397335190000000 ] mass: 32.065000 reduced_to: 39 - symbol: S # 40 coordinates: [ 0.500000000000000, 0.703004850000000, 0.397335190000000 ] mass: 32.065000 reduced_to: 40 - symbol: S # 41 coordinates: [ 0.296995150000000, 0.500000000000000, 0.897335190000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 42 coordinates: [ 0.703004850000000, 0.500000000000000, 0.897335190000000 ] mass: 32.065000 reduced_to: 42 - symbol: S # 43 coordinates: [ 0.000000000000000, 0.194805330000000, 0.783758910000000 ] mass: 32.065000 reduced_to: 43 - symbol: S # 44 coordinates: [ 0.000000000000000, 0.805194670000000, 0.783758910000000 ] mass: 32.065000 reduced_to: 44 - symbol: S # 45 coordinates: [ 0.805194670000000, 0.000000000000000, 0.283758910000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 46 coordinates: [ 0.194805330000000, 0.000000000000000, 0.283758910000000 ] mass: 32.065000 reduced_to: 46 - symbol: S # 47 coordinates: [ 0.500000000000000, 0.700961740000000, 0.697072190000000 ] mass: 32.065000 reduced_to: 47 - symbol: S # 48 coordinates: [ 0.500000000000000, 0.299038260000000, 0.697072190000000 ] mass: 32.065000 reduced_to: 48 - symbol: S # 49 coordinates: [ 0.700961740000000, 0.500000000000000, 0.197072190000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 50 coordinates: [ 0.299038260000000, 0.500000000000000, 0.197072190000000 ] mass: 32.065000 reduced_to: 50displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0125424300000000, -0.0108542000000000, 0.0059727700000000 ] - [ 0.0006413200000000, 0.0000173600000000, 0.0002568900000000 ] - [ 0.0001293400000000, 0.0001730300000000, -0.0001159500000000 ] - [ 0.0000449000000000, -0.0001710700000000, -0.0000203000000000 ] - [ -0.0007398300000000, 0.0004353000000000, 0.0004323900000000 ] - [ 0.0025129700000000, 0.0001580700000000, -0.0001748300000000 ] - [ -0.0000416700000000, -0.0002268300000000, -0.0000260200000000 ] - [ -0.0001238900000000, 0.0000866700000000, -0.0001547100000000 ] - [ -0.0000758700000000, 0.0004938000000000, 0.0007000500000000 ] - [ 0.0002310800000000, 0.0006003500000000, -0.0000532600000000 ] - [ -0.0001566500000000, 0.0008782600000000, 0.0009355000000000 ] - [ 0.0002235800000000, 0.0002178800000000, -0.0003945400000000 ] - [ -0.0004107900000000, 0.0005850200000000, -0.0005283100000000 ] - [ 0.0010841900000000, -0.0003270200000000, -0.0001368800000000 ] - [ -0.0020824600000000, -0.0001058400000000, 0.0006021500000000 ] - [ 0.0006197400000000, 0.0000535700000000, 0.0000423200000000 ] - [ -0.0005951500000000, 0.0001125500000000, -0.0000261100000000 ] - [ 0.0021532400000000, -0.0002266900000000, 0.0003710900000000 ] - [ -0.0012961700000000, -0.0003677900000000, -0.0005144200000000 ] - [ 0.0003684000000000, 0.0002999300000000, -0.0002405000000000 ] - [ 0.0001607900000000, 0.0005901000000000, -0.0002754100000000 ] - [ 0.0032255400000000, 0.0072948900000000, -0.0028406800000000 ] - [ 0.0000472600000000, 0.0003872800000000, 0.0000003600000000 ] - [ 0.0012436100000000, 0.0047453100000000, -0.0004167300000000 ] - [ -0.0009028900000000, -0.0056422100000000, -0.0028707300000000 ] - [ -0.0004569200000000, -0.0022430000000000, -0.0010806500000000 ] - [ 0.0000393100000000, 0.0006962100000000, -0.0001367100000000 ] - [ 0.0073106600000000, 0.0025376200000000, -0.0035419800000000 ] - [ 0.0006000900000000, 0.0002166000000000, 0.0001092300000000 ] - [ -0.0008945500000000, 0.0004342000000000, 0.0003850900000000 ] - [ 0.0000686000000000, 0.0014969200000000, 0.0005983200000000 ] - [ 0.0000271500000000, 0.0000242000000000, -0.0001380800000000 ] - [ 0.0010729000000000, 0.0005712500000000, 0.0003140600000000 ] - [ -0.0016670000000000, 0.0010826300000000, 0.0008911300000000 ] - [ 0.0000742700000000, -0.0006140100000000, 0.0003828400000000 ] - [ -0.0009269000000000, -0.0017583500000000, -0.0010204300000000 ] - [ 0.0000464600000000, -0.0001879500000000, 0.0006035200000000 ] - [ -0.0001048000000000, -0.0002261700000000, 0.0006016600000000 ] - [ 0.0007440500000000, -0.0016502100000000, 0.0008616600000000 ] - [ -0.0000647400000000, -0.0011346500000000, -0.0001476400000000 ] - [ -0.0002119900000000, -0.0001371400000000, 0.0004447800000000 ] - [ 0.0000704700000000, -0.0001516300000000, 0.0003312500000000 ] - [ -0.0000105700000000, -0.0003265000000000, -0.0000585100000000 ] - [ -0.0000325300000000, 0.0001431900000000, 0.0000607000000000 ] - [ -0.0002638300000000, -0.0006703300000000, 0.0001353100000000 ] - [ 0.0002342900000000, 0.0005211800000000, 0.0006636200000000 ] - [ -0.0000988300000000, 0.0001055400000000, 0.0001581600000000 ] - [ -0.0000191300000000, -0.0004378700000000, -0.0003424100000000 ] - [ -0.0008275100000000, -0.0006770700000000, 0.0008619300000000 ] - [ 0.0015728800000000, 0.0031776100000000, -0.0014610200000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0122229600000000, 0.0110389600000000, -0.0061482500000000 ] - [ -0.0002079200000000, -0.0003535600000000, -0.0000158700000000 ] - [ 0.0002189200000000, 0.0002507100000000, 0.0003476200000000 ] - [ -0.0003946800000000, -0.0002528700000000, 0.0002654800000000 ] - [ 0.0003121300000000, -0.0007800800000000, -0.0001878300000000 ] - [ -0.0020902500000000, 0.0001871800000000, 0.0004129700000000 ] - [ 0.0003828600000000, -0.0002024000000000, 0.0002614200000000 ] - [ -0.0002190600000000, 0.0003416400000000, 0.0003947500000000 ] - [ 0.0000755100000000, -0.0004968500000000, -0.0003044400000000 ] - [ -0.0002287200000000, -0.0006012600000000, 0.0004490300000000 ] - [ 0.0001576900000000, -0.0008749700000000, -0.0012248600000000 ] - [ -0.0002269100000000, -0.0002156100000000, 0.0001060900000000 ] - [ 0.0000792900000000, -0.0001833400000000, 0.0001946400000000 ] - [ -0.0007588600000000, -0.0000766800000000, -0.0002068400000000 ] - [ 0.0016714000000000, -0.0002238900000000, -0.0009652000000000 ] - [ -0.0002115400000000, 0.0002771800000000, -0.0003800800000000 ] - [ 0.0001927200000000, 0.0002160600000000, -0.0003185600000000 ] - [ -0.0017444300000000, -0.0001006200000000, -0.0007116600000000 ] - [ 0.0009638900000000, -0.0000316600000000, 0.0001882500000000 ] - [ -0.0000396700000000, 0.0001054400000000, -0.0000957000000000 ] - [ -0.0001620300000000, -0.0005879300000000, 0.0002391500000000 ] - [ -0.0032085600000000, -0.0072284000000000, 0.0027959500000000 ] - [ -0.0000469300000000, -0.0003887900000000, 0.0004444700000000 ] - [ -0.0012158700000000, -0.0047739300000000, 0.0008754600000000 ] - [ 0.0008902500000000, 0.0056501500000000, 0.0034250900000000 ] - [ 0.0004555800000000, 0.0022245300000000, 0.0016399900000000 ] - [ -0.0000389100000000, -0.0009941200000000, -0.0004018400000000 ] - [ -0.0075983500000000, -0.0022126900000000, 0.0032547000000000 ] - [ -0.0003046200000000, -0.0002137000000000, -0.0006475900000000 ] - [ 0.0005980900000000, -0.0004289400000000, -0.0009236300000000 ] - [ -0.0000613100000000, -0.0012603300000000, -0.0011419200000000 ] - [ -0.0000291500000000, -0.0002431200000000, -0.0004123200000000 ] - [ -0.0008523400000000, -0.0005747300000000, -0.0008613600000000 ] - [ 0.0014437900000000, -0.0010786100000000, -0.0014324900000000 ] - [ -0.0000804300000000, 0.0010425400000000, 0.0002911500000000 ] - [ 0.0009130800000000, 0.0013383700000000, 0.0017091200000000 ] - [ -0.0004788100000000, 0.0001883000000000, 0.0000796800000000 ] - [ 0.0005346500000000, 0.0002258000000000, 0.0000804500000000 ] - [ -0.0005310600000000, 0.0011758900000000, -0.0005233600000000 ] - [ 0.0000672000000000, 0.0016265200000000, 0.0003768600000000 ] - [ -0.0002812500000000, 0.0001362600000000, -0.0002212100000000 ] - [ 0.0004230100000000, 0.0001506900000000, -0.0001066500000000 ] - [ 0.0000104600000000, 0.0000115700000000, -0.0000318000000000 ] - [ 0.0000320400000000, 0.0001731300000000, -0.0001509400000000 ] - [ 0.0005747400000000, 0.0006733600000000, -0.0002272400000000 ] - [ -0.0005437300000000, -0.0004299700000000, -0.0007496200000000 ] - [ 0.0000975100000000, 0.0001958600000000, -0.0002233900000000 ] - [ 0.0000184500000000, 0.0001346000000000, 0.0002739800000000 ] - [ 0.0011327500000000, 0.0006725100000000, -0.0009277100000000 ] - [ -0.0019135700000000, -0.0032281700000000, 0.0014360700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0112097400000000, -0.0427944200000000, 0.0095808800000000 ] - [ 0.0004041400000000, 0.0003802100000000, -0.0000282500000000 ] - [ 0.0001146100000000, 0.0004357900000000, 0.0001254400000000 ] - [ -0.0001121500000000, -0.0002537700000000, 0.0002324000000000 ] - [ -0.0008242900000000, 0.0023339700000000, 0.0002873200000000 ] - [ 0.0002272500000000, -0.0003964700000000, -0.0003883800000000 ] - [ 0.0001125500000000, -0.0004225700000000, 0.0001345800000000 ] - [ -0.0000995100000000, 0.0002658600000000, 0.0002333200000000 ] - [ -0.0000338300000000, 0.0000281200000000, 0.0005310300000000 ] - [ 0.0009164900000000, -0.0000328300000000, -0.0010440900000000 ] - [ 0.0001630000000000, 0.0000477200000000, -0.0000403700000000 ] - [ 0.0008782700000000, -0.0001427200000000, -0.0011390000000000 ] - [ -0.0006876600000000, 0.0012020400000000, -0.0006417200000000 ] - [ 0.0004434600000000, -0.0005283100000000, -0.0002068400000000 ] - [ -0.0003055400000000, -0.0013076200000000, -0.0005046700000000 ] - [ 0.0003337100000000, 0.0001820400000000, -0.0000847900000000 ] - [ -0.0003461200000000, 0.0005324700000000, -0.0002332200000000 ] - [ 0.0000913800000000, -0.0001053000000000, 0.0002853300000000 ] - [ -0.0004931300000000, -0.0014894000000000, -0.0003402300000000 ] - [ 0.0005392400000000, 0.0004302600000000, -0.0002452500000000 ] - [ 0.0005949500000000, 0.0000477300000000, -0.0000090400000000 ] - [ 0.0072486200000000, 0.0014678300000000, 0.0033665800000000 ] - [ 0.0007112200000000, -0.0000519200000000, 0.0003017900000000 ] - [ 0.0072128700000000, 0.0002109000000000, 0.0054690400000000 ] - [ -0.0016988200000000, 0.0011258300000000, 0.0008538200000000 ] - [ -0.0003214700000000, 0.0009177000000000, 0.0001017400000000 ] - [ 0.0005615800000000, -0.0008502900000000, -0.0002303500000000 ] - [ 0.0012168700000000, 0.0013366100000000, -0.0003811500000000 ] - [ 0.0002290300000000, -0.0001238800000000, -0.0003114400000000 ] - [ -0.0003256500000000, -0.0002685600000000, -0.0001982100000000 ] - [ 0.0005801100000000, -0.0001090200000000, -0.0006802400000000 ] - [ 0.0003737500000000, -0.0004948900000000, -0.0001566000000000 ] - [ 0.0003321500000000, -0.0001881800000000, -0.0005094600000000 ] - [ -0.0002890800000000, -0.0001523300000000, 0.0001134000000000 ] - [ -0.0011425500000000, -0.0010986200000000, -0.0013264800000000 ] - [ -0.0011124400000000, 0.0010658400000000, -0.0010999300000000 ] - [ -0.0005726900000000, 0.0000254600000000, 0.0006465100000000 ] - [ 0.0000115000000000, 0.0001382800000000, 0.0001597400000000 ] - [ -0.0010703000000000, 0.0020473100000000, -0.0010602100000000 ] - [ -0.0007704200000000, -0.0005201900000000, -0.0008291700000000 ] - [ -0.0005117100000000, 0.0000408000000000, 0.0006080500000000 ] - [ -0.0000187000000000, 0.0000403200000000, 0.0000711100000000 ] - [ -0.0001105500000000, -0.0001458900000000, -0.0001241300000000 ] - [ -0.0001391800000000, 0.0001526000000000, -0.0001414600000000 ] - [ -0.0017130500000000, 0.0001168400000000, 0.0000764000000000 ] - [ -0.0005939800000000, 0.0206229100000000, -0.0009181000000000 ] - [ -0.0001423000000000, 0.0000822300000000, -0.0001121600000000 ] - [ -0.0001219700000000, -0.0001085900000000, -0.0001460700000000 ] - [ -0.0014541100000000, 0.0000700700000000, 0.0000036200000000 ] - [ 0.0029242000000000, 0.0162380300000000, -0.0100510800000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0106844200000000, 0.0433446300000000, -0.0087983200000000 ] - [ 0.0000328800000000, -0.0007111700000000, 0.0002681500000000 ] - [ 0.0002284500000000, -0.0000010100000000, 0.0001060200000000 ] - [ -0.0002301000000000, -0.0001725800000000, 0.0000130400000000 ] - [ 0.0003871800000000, -0.0026542200000000, -0.0000473900000000 ] - [ 0.0002061100000000, 0.0007435500000000, 0.0006233900000000 ] - [ 0.0002269900000000, -0.0000057600000000, 0.0001011100000000 ] - [ -0.0002387500000000, 0.0001719600000000, 0.0000075000000000 ] - [ 0.0000335500000000, -0.0000227800000000, -0.0001362400000000 ] - [ -0.0009194400000000, 0.0000384000000000, 0.0014441100000000 ] - [ -0.0001604500000000, -0.0000460100000000, -0.0002471300000000 ] - [ -0.0008765100000000, 0.0001506300000000, 0.0008494500000000 ] - [ 0.0003614600000000, -0.0007962000000000, 0.0003088400000000 ] - [ -0.0001185500000000, 0.0001280700000000, -0.0001379700000000 ] - [ -0.0001020700000000, 0.0009838200000000, 0.0001426000000000 ] - [ 0.0000723700000000, 0.0001505400000000, -0.0002507300000000 ] - [ -0.0000560600000000, -0.0002026100000000, -0.0001088900000000 ] - [ 0.0003137200000000, -0.0002163600000000, -0.0006248400000000 ] - [ 0.0001621200000000, 0.0010882500000000, 0.0000057500000000 ] - [ -0.0002140900000000, -0.0000229000000000, -0.0000923800000000 ] - [ -0.0005925500000000, -0.0000442100000000, -0.0000341700000000 ] - [ -0.0072071400000000, -0.0014615800000000, -0.0034080700000000 ] - [ -0.0007125300000000, 0.0000563100000000, 0.0001505000000000 ] - [ -0.0072281000000000, -0.0002130900000000, -0.0050303600000000 ] - [ 0.0016867700000000, -0.0011472200000000, -0.0002984600000000 ] - [ 0.0003297800000000, -0.0009122200000000, 0.0004493400000000 ] - [ -0.0005561100000000, 0.0005585500000000, -0.0003092200000000 ] - [ -0.0011821600000000, -0.0010312600000000, -0.0001852800000000 ] - [ 0.0000682800000000, 0.0001283400000000, -0.0002231800000000 ] - [ 0.0000293100000000, 0.0002729400000000, -0.0003404100000000 ] - [ -0.0005838300000000, 0.0003336300000000, 0.0001383100000000 ] - [ -0.0003772000000000, 0.0002823800000000, -0.0003924600000000 ] - [ -0.0001050800000000, 0.0001965300000000, -0.0000367700000000 ] - [ 0.0000640000000000, 0.0001641600000000, -0.0006543400000000 ] - [ 0.0011433300000000, 0.0015363800000000, 0.0020076900000000 ] - [ 0.0011142900000000, -0.0015015700000000, 0.0017883100000000 ] - [ 0.0001433900000000, -0.0000216700000000, 0.0000363000000000 ] - [ 0.0004211800000000, -0.0001344500000000, 0.0005230700000000 ] - [ 0.0010450900000000, -0.0025391300000000, 0.0012670100000000 ] - [ 0.0007673400000000, 0.0010225500000000, 0.0010517800000000 ] - [ 0.0000140000000000, -0.0000366600000000, -0.0003803900000000 ] - [ 0.0005159900000000, -0.0000358100000000, 0.0001537800000000 ] - [ 0.0001119700000000, -0.0001679400000000, 0.0000277100000000 ] - [ 0.0001403200000000, 0.0001700600000000, 0.0000456000000000 ] - [ 0.0020427600000000, -0.0001140700000000, -0.0001688600000000 ] - [ 0.0001070000000000, -0.0216403000000000, 0.0007864800000000 ] - [ 0.0001418700000000, 0.0002232800000000, 0.0000481700000000 ] - [ 0.0001217700000000, -0.0001866500000000, 0.0000824800000000 ] - [ 0.0017487800000000, -0.0000647300000000, -0.0000707800000000 ] - [ -0.0030057400000000, -0.0156408000000000, 0.0095501500000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0058557400000000, 0.0091754500000000, -0.0182346000000000 ] - [ 0.0000793000000000, -0.0000192400000000, -0.0001752000000000 ] - [ 0.0002837700000000, 0.0003550400000000, 0.0005524200000000 ] - [ -0.0001799700000000, -0.0004449500000000, 0.0005578000000000 ] - [ 0.0000943800000000, -0.0003375300000000, -0.0004600300000000 ] - [ 0.0005075000000000, -0.0003372300000000, -0.0018174400000000 ] - [ 0.0001887900000000, -0.0003564100000000, 0.0005492500000000 ] - [ -0.0002842200000000, 0.0004889200000000, 0.0005584000000000 ] - [ -0.0001699600000000, 0.0004742500000000, 0.0009515000000000 ] - [ -0.0001954700000000, -0.0007489400000000, -0.0000641600000000 ] - [ 0.0000591000000000, 0.0005132200000000, 0.0002890300000000 ] - [ -0.0003361900000000, -0.0002953000000000, 0.0002606800000000 ] - [ -0.0000702800000000, 0.0002234700000000, 0.0001375800000000 ] - [ 0.0004053500000000, -0.0009148100000000, 0.0000768200000000 ] - [ 0.0005696900000000, -0.0005046900000000, 0.0051023500000000 ] - [ -0.0000523300000000, 0.0003771700000000, -0.0003048300000000 ] - [ 0.0000277400000000, 0.0003685000000000, -0.0003270300000000 ] - [ -0.0002346100000000, -0.0006804200000000, 0.0009468600000000 ] - [ -0.0005932200000000, -0.0005376300000000, 0.0034709700000000 ] - [ 0.0000822600000000, 0.0004973300000000, -0.0002020000000000 ] - [ -0.0001948100000000, 0.0002914600000000, 0.0009735000000000 ] - [ -0.0027012500000000, 0.0036324400000000, -0.0058582700000000 ] - [ -0.0003549900000000, 0.0003362900000000, 0.0011589800000000 ] - [ 0.0001556000000000, 0.0046160000000000, -0.0026195300000000 ] - [ 0.0000712100000000, 0.0042372200000000, 0.0024473500000000 ] - [ 0.0008952000000000, 0.0021457500000000, 0.0013988200000000 ] - [ 0.0000014900000000, -0.0013442700000000, 0.0002027600000000 ] - [ -0.0033108200000000, -0.0008319400000000, 0.0027443400000000 ] - [ -0.0000735200000000, -0.0003556800000000, -0.0007730700000000 ] - [ 0.0000892200000000, -0.0007535200000000, -0.0012866600000000 ] - [ 0.0005329700000000, -0.0009617800000000, -0.0014066900000000 ] - [ -0.0001843200000000, -0.0005397400000000, -0.0003455600000000 ] - [ 0.0000411200000000, -0.0008966200000000, -0.0009403100000000 ] - [ 0.0002414900000000, -0.0010284500000000, -0.0012310900000000 ] - [ 0.0004100600000000, -0.0001104400000000, 0.0011359000000000 ] - [ -0.0022059600000000, -0.0024351200000000, -0.0000653900000000 ] - [ 0.0001675300000000, 0.0001937400000000, -0.0003542800000000 ] - [ 0.0002092700000000, 0.0001331800000000, -0.0001198300000000 ] - [ -0.0004279000000000, -0.0020079900000000, 0.0035686200000000 ] - [ 0.0006108000000000, -0.0001734300000000, 0.0013188100000000 ] - [ -0.0000106900000000, 0.0000994500000000, -0.0005896000000000 ] - [ 0.0002075900000000, 0.0000861100000000, -0.0004266500000000 ] - [ 0.0000642500000000, -0.0003319000000000, -0.0005806800000000 ] - [ 0.0001371500000000, 0.0001449200000000, -0.0006412900000000 ] - [ -0.0003109100000000, -0.0003049000000000, 0.0011145100000000 ] - [ 0.0008952800000000, 0.0005059700000000, 0.0006495700000000 ] - [ 0.0000289000000000, 0.0000343600000000, -0.0005902700000000 ] - [ -0.0000238600000000, -0.0002950600000000, -0.0007457500000000 ] - [ 0.0006191200000000, -0.0005567000000000, 0.0014552800000000 ] - [ -0.0016165700000000, -0.0108255700000000, 0.0085380900000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0062628900000000, -0.0091994200000000, 0.0182992700000000 ] - [ 0.0003527600000000, -0.0003163300000000, 0.0004161600000000 ] - [ 0.0000601900000000, 0.0000721300000000, -0.0003205800000000 ] - [ -0.0001642000000000, 0.0000188600000000, -0.0003147100000000 ] - [ -0.0005269100000000, -0.0000002800000000, 0.0007004800000000 ] - [ -0.0000757600000000, 0.0006751800000000, 0.0020533600000000 ] - [ 0.0001530600000000, -0.0000712200000000, -0.0003139100000000 ] - [ -0.0000577000000000, -0.0000601900000000, -0.0003193400000000 ] - [ 0.0001707300000000, -0.0004762400000000, -0.0005551700000000 ] - [ 0.0001941600000000, 0.0007482800000000, 0.0004591200000000 ] - [ -0.0000543800000000, -0.0005146800000000, -0.0005813700000000 ] - [ 0.0003331900000000, 0.0003009100000000, -0.0005473600000000 ] - [ -0.0002565400000000, 0.0001748200000000, -0.0004666600000000 ] - [ -0.0000792000000000, 0.0005164200000000, -0.0004230500000000 ] - [ -0.0009606900000000, 0.0001702300000000, -0.0053566200000000 ] - [ 0.0004564300000000, -0.0000494200000000, -0.0000322500000000 ] - [ -0.0004259900000000, -0.0000475100000000, -0.0000171900000000 ] - [ 0.0006397600000000, 0.0003526500000000, -0.0012881300000000 ] - [ 0.0002686400000000, 0.0001407300000000, -0.0038779600000000 ] - [ 0.0002435400000000, -0.0000934600000000, -0.0001331700000000 ] - [ 0.0001939800000000, -0.0002915900000000, -0.0010117900000000 ] - [ 0.0026664500000000, -0.0036569300000000, 0.0058177600000000 ] - [ 0.0003473000000000, -0.0003348500000000, -0.0007127600000000 ] - [ -0.0001319800000000, -0.0046485000000000, 0.0031168900000000 ] - [ -0.0000992400000000, -0.0042506800000000, -0.0018869300000000 ] - [ -0.0008986600000000, -0.0021694800000000, -0.0008443000000000 ] - [ 0.0000008000000000, 0.0010501400000000, -0.0007410000000000 ] - [ 0.0031724300000000, 0.0011584700000000, -0.0031981300000000 ] - [ 0.0003682600000000, 0.0003610700000000, 0.0002361400000000 ] - [ -0.0003836500000000, 0.0007628300000000, 0.0007513900000000 ] - [ -0.0005476100000000, 0.0011994900000000, 0.0008703900000000 ] - [ 0.0001834400000000, 0.0003254700000000, -0.0002079400000000 ] - [ 0.0001891900000000, 0.0008926300000000, 0.0003912300000000 ] - [ -0.0004676000000000, 0.0010405800000000, 0.0006930800000000 ] - [ -0.0004149600000000, 0.0005487200000000, -0.0004605600000000 ] - [ 0.0022302500000000, 0.0020285800000000, 0.0007391300000000 ] - [ -0.0005927400000000, -0.0001907200000000, 0.0010334000000000 ] - [ 0.0002232700000000, -0.0001331000000000, 0.0008036400000000 ] - [ 0.0004947600000000, 0.0015169400000000, -0.0032920400000000 ] - [ -0.0006119600000000, 0.0006690200000000, -0.0010935100000000 ] - [ -0.0004824500000000, -0.0001003700000000, 0.0008162400000000 ] - [ 0.0002857200000000, -0.0000862600000000, 0.0006537600000000 ] - [ -0.0000631300000000, 0.0000169400000000, 0.0004899400000000 ] - [ -0.0001351000000000, 0.0001730300000000, 0.0005497700000000 ] - [ 0.0006219800000000, 0.0003119900000000, -0.0012115800000000 ] - [ -0.0012128000000000, -0.0004063300000000, -0.0007339100000000 ] - [ -0.0000310000000000, 0.0002697300000000, 0.0005281900000000 ] - [ 0.0000220300000000, -0.0000062300000000, 0.0006823900000000 ] - [ -0.0003124300000000, 0.0005535500000000, -0.0015198900000000 ] - [ 0.0013772500000000, 0.0110543900000000, -0.0086399400000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002985600000000, 0.0001327400000000, -0.0000497700000000 ] - [ 0.0001428600000000, -0.0001999200000000, 0.0002881400000000 ] - [ 0.0001241200000000, -0.0003861200000000, -0.0006376200000000 ] - [ -0.0002053500000000, -0.0008131900000000, 0.0008659200000000 ] - [ -0.0002985600000000, -0.0001327400000000, -0.0000497700000000 ] - [ 0.0001428600000000, 0.0001999200000000, 0.0002881400000000 ] - [ 0.0001241200000000, 0.0003861200000000, -0.0006376200000000 ] - [ -0.0002053500000000, 0.0008131900000000, 0.0008659200000000 ] - [ -0.0109617700000000, 0.0000000000000000, 0.0002475000000000 ] - [ -0.0000056700000000, 0.0000000000000000, 0.0001975100000000 ] - [ -0.0000308500000000, 0.0000000000000000, -0.0001426100000000 ] - [ 0.0000552900000000, 0.0000000000000000, -0.0001414900000000 ] - [ 0.0002636400000000, -0.0010241200000000, 0.0007391300000000 ] - [ 0.0005955800000000, -0.0014116000000000, -0.0010730000000000 ] - [ -0.0002222400000000, -0.0001684000000000, -0.0001473100000000 ] - [ 0.0001890200000000, 0.0001645000000000, -0.0001939600000000 ] - [ -0.0002222400000000, 0.0001684000000000, -0.0001473100000000 ] - [ 0.0001890200000000, -0.0001645000000000, -0.0001939600000000 ] - [ 0.0002636400000000, 0.0010241200000000, 0.0007391300000000 ] - [ 0.0005955800000000, 0.0014116000000000, -0.0010730000000000 ] - [ 0.0006055400000000, 0.0000000000000000, -0.0000233700000000 ] - [ -0.0002381600000000, 0.0000000000000000, -0.0000205600000000 ] - [ -0.0004644100000000, 0.0000000000000000, 0.0002468300000000 ] - [ -0.0005537300000000, 0.0000000000000000, 0.0002098800000000 ] - [ 0.0001454100000000, 0.0000000000000000, 0.0002729000000000 ] - [ 0.0093529600000000, 0.0000000000000000, 0.0002901300000000 ] - [ -0.0000588500000000, -0.0001486000000000, -0.0002662800000000 ] - [ -0.0000588500000000, 0.0001486000000000, -0.0002662800000000 ] - [ -0.0002407500000000, 0.0000000000000000, -0.0051941000000000 ] - [ -0.0008026400000000, 0.0000000000000000, 0.0046153500000000 ] - [ -0.0015154700000000, 0.0001092400000000, -0.0002784000000000 ] - [ -0.0015154700000000, -0.0001092400000000, -0.0002784000000000 ] - [ 0.0000904500000000, 0.0000000000000000, -0.0003699300000000 ] - [ -0.0001404100000000, 0.0000000000000000, -0.0001743300000000 ] - [ 0.0014716900000000, 0.0002321500000000, 0.0003316000000000 ] - [ 0.0014716900000000, -0.0002321500000000, 0.0003316000000000 ] - [ 0.0000485200000000, 0.0000000000000000, 0.0002584500000000 ] - [ 0.0004729100000000, 0.0000000000000000, 0.0004239800000000 ] - [ 0.0000858400000000, -0.0002486900000000, 0.0001121300000000 ] - [ 0.0000858400000000, 0.0002486900000000, 0.0001121300000000 ] - [ -0.0005530000000000, 0.0000000000000000, 0.0002515200000000 ] - [ -0.0000574500000000, 0.0000000000000000, -0.0000226200000000 ] - [ 0.0010438000000000, -0.0001709500000000, -0.0000441200000000 ] - [ 0.0010438000000000, 0.0001709500000000, -0.0000441200000000 ] - [ 0.0002754100000000, 0.0000000000000000, -0.0001928800000000 ] - [ -0.0000395100000000, 0.0000000000000000, 0.0000989300000000 ] - [ -0.0002228000000000, 0.0001512300000000, -0.0000288600000000 ] - [ -0.0002228000000000, -0.0001512300000000, -0.0000288600000000 ] - [ 0.0002766200000000, 0.0000000000000000, -0.0001279700000000 ] - [ -0.0000213500000000, 0.0000000000000000, 0.0000616700000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002771400000000, 0.0001906500000000, 0.0005914100000000 ] - [ 0.0007131200000000, -0.0001465700000000, -0.0003540200000000 ] - [ -0.0007469400000000, 0.0004437100000000, 0.0003119500000000 ] - [ -0.0010890400000000, 0.0000125500000000, -0.0000742200000000 ] - [ -0.0007131200000000, -0.0001465700000000, -0.0003540200000000 ] - [ -0.0002771400000000, 0.0001906500000000, 0.0005914100000000 ] - [ 0.0010890400000000, 0.0000125500000000, -0.0000742200000000 ] - [ 0.0007469400000000, 0.0004437100000000, 0.0003119500000000 ] - [ 0.0000000000000000, -0.0169110000000000, 0.0001589500000000 ] - [ 0.0000000000000000, -0.0000058600000000, 0.0001991300000000 ] - [ 0.0000000000000000, -0.0000648800000000, -0.0001449100000000 ] - [ 0.0000000000000000, -0.0000224500000000, -0.0001434600000000 ] - [ -0.0015389800000000, 0.0009795600000000, -0.0004739200000000 ] - [ -0.0012212300000000, 0.0005785500000000, 0.0001408900000000 ] - [ -0.0000467800000000, -0.0002256100000000, -0.0002932800000000 ] - [ 0.0003557000000000, 0.0001004400000000, -0.0000460400000000 ] - [ -0.0003557000000000, 0.0001004400000000, -0.0000460400000000 ] - [ 0.0000467800000000, -0.0002256100000000, -0.0002932800000000 ] - [ 0.0012212300000000, 0.0005785500000000, 0.0001408900000000 ] - [ 0.0015389800000000, 0.0009795600000000, -0.0004739200000000 ] - [ 0.0000000000000000, -0.0003039700000000, -0.0000204900000000 ] - [ 0.0000000000000000, -0.0004193800000000, -0.0000207300000000 ] - [ 0.0000000000000000, -0.0110784000000000, 0.0002424800000000 ] - [ 0.0000000000000000, -0.0115473900000000, 0.0002039200000000 ] - [ 0.0000000000000000, 0.0007214900000000, 0.0002813800000000 ] - [ 0.0000000000000000, 0.0017986600000000, 0.0002625100000000 ] - [ 0.0000000000000000, -0.0003882100000000, -0.0000612800000000 ] - [ 0.0000000000000000, -0.0000899700000000, -0.0004747900000000 ] - [ 0.0001259700000000, -0.0003212700000000, -0.0002547600000000 ] - [ -0.0001259700000000, -0.0003212700000000, -0.0002547600000000 ] - [ 0.0000000000000000, 0.0003287500000000, 0.0001566000000000 ] - [ 0.0000000000000000, 0.0001071500000000, -0.0007039800000000 ] - [ 0.0001095200000000, -0.0003614400000000, -0.0002755300000000 ] - [ -0.0001095200000000, -0.0003614400000000, -0.0002755300000000 ] - [ 0.0000000000000000, 0.0074168800000000, -0.0000676200000000 ] - [ 0.0000000000000000, 0.0071334900000000, 0.0009139700000000 ] - [ -0.0002190600000000, 0.0018087000000000, 0.0003444000000000 ] - [ 0.0002190600000000, 0.0018087000000000, 0.0003444000000000 ] - [ 0.0000000000000000, -0.0001498300000000, 0.0001382300000000 ] - [ 0.0000000000000000, 0.0003474500000000, 0.0000865800000000 ] - [ -0.0002485700000000, -0.0003807600000000, 0.0001124000000000 ] - [ 0.0002485700000000, -0.0003807600000000, 0.0001124000000000 ] - [ 0.0000000000000000, 0.0070083800000000, -0.0006615000000000 ] - [ 0.0000000000000000, 0.0072007800000000, 0.0004234200000000 ] - [ 0.0001626000000000, 0.0019109300000000, -0.0000499300000000 ] - [ -0.0001626000000000, 0.0019109300000000, -0.0000499300000000 ] - [ 0.0000000000000000, 0.0001499000000000, 0.0000078500000000 ] - [ 0.0000000000000000, -0.0001478000000000, -0.0000722200000000 ] - [ 0.0001490900000000, -0.0001313400000000, -0.0000313700000000 ] - [ -0.0001490900000000, -0.0001313400000000, -0.0000313700000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002840300000000, 0.0004996400000000, 0.0008723100000000 ] - [ -0.0002840300000000, -0.0004996400000000, 0.0008723100000000 ] - [ -0.0010747000000000, 0.0004690000000000, -0.0001406400000000 ] - [ 0.0010747000000000, -0.0004690000000000, -0.0001406400000000 ] - [ 0.0002840300000000, -0.0004996400000000, 0.0008723100000000 ] - [ -0.0002840300000000, 0.0004996400000000, 0.0008723100000000 ] - [ -0.0010747000000000, -0.0004690000000000, -0.0001406400000000 ] - [ 0.0010747000000000, 0.0004690000000000, -0.0001406400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0251274800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014333400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002557600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0007059300000000 ] - [ 0.0010549800000000, -0.0002536300000000, -0.0011486400000000 ] - [ -0.0010549800000000, 0.0002536300000000, -0.0011486400000000 ] - [ -0.0004383600000000, -0.0004518000000000, 0.0004564900000000 ] - [ 0.0004383600000000, 0.0004518000000000, 0.0004564900000000 ] - [ -0.0004383600000000, 0.0004518000000000, 0.0004564900000000 ] - [ 0.0004383600000000, -0.0004518000000000, 0.0004564900000000 ] - [ 0.0010549800000000, 0.0002536300000000, -0.0011486400000000 ] - [ -0.0010549800000000, -0.0002536300000000, -0.0011486400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002968800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010811300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0093555700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0106878900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019994200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015310600000000 ] - [ 0.0000000000000000, 0.0002514500000000, -0.0012774800000000 ] - [ 0.0000000000000000, -0.0002514500000000, -0.0012774800000000 ] - [ -0.0020637400000000, 0.0000000000000000, 0.0016504000000000 ] - [ 0.0020637400000000, 0.0000000000000000, 0.0016504000000000 ] - [ 0.0000000000000000, 0.0005265200000000, 0.0006617600000000 ] - [ 0.0000000000000000, -0.0005265200000000, 0.0006617600000000 ] - [ -0.0000034400000000, 0.0000000000000000, -0.0011683500000000 ] - [ 0.0000034400000000, 0.0000000000000000, -0.0011683500000000 ] - [ 0.0000000000000000, -0.0022005700000000, 0.0029712300000000 ] - [ 0.0000000000000000, 0.0022005700000000, 0.0029712300000000 ] - [ 0.0009309600000000, 0.0000000000000000, -0.0013583100000000 ] - [ -0.0009309600000000, 0.0000000000000000, -0.0013583100000000 ] - [ 0.0000000000000000, -0.0000743500000000, -0.0006151000000000 ] - [ 0.0000000000000000, 0.0000743500000000, -0.0006151000000000 ] - [ -0.0002868800000000, 0.0000000000000000, 0.0007480800000000 ] - [ 0.0002868800000000, 0.0000000000000000, 0.0007480800000000 ] - [ 0.0000000000000000, -0.0023650800000000, 0.0019635000000000 ] - [ 0.0000000000000000, 0.0023650800000000, 0.0019635000000000 ] - [ 0.0010209900000000, 0.0000000000000000, -0.0018315800000000 ] - [ -0.0010209900000000, 0.0000000000000000, -0.0018315800000000 ] - [ 0.0000000000000000, -0.0000449500000000, 0.0000406400000000 ] - [ 0.0000000000000000, 0.0000449500000000, 0.0000406400000000 ] - [ 0.0007605200000000, 0.0000000000000000, -0.0004396900000000 ] - [ -0.0007605200000000, 0.0000000000000000, -0.0004396900000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0007206100000000, -0.0001641600000000, -0.0006348200000000 ] - [ 0.0007206100000000, 0.0001641600000000, -0.0006348200000000 ] - [ 0.0014152000000000, -0.0000317300000000, 0.0003815700000000 ] - [ -0.0014152000000000, 0.0000317300000000, 0.0003815700000000 ] - [ -0.0007206100000000, 0.0001641600000000, -0.0006348200000000 ] - [ 0.0007206100000000, -0.0001641600000000, -0.0006348200000000 ] - [ 0.0014152000000000, 0.0000317300000000, 0.0003815700000000 ] - [ -0.0014152000000000, -0.0000317300000000, 0.0003815700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0254586300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010384800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0005388100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004218400000000 ] - [ -0.0013857100000000, 0.0006631100000000, 0.0008007800000000 ] - [ 0.0013857100000000, -0.0006631100000000, 0.0008007800000000 ] - [ 0.0000332700000000, 0.0001195300000000, -0.0007972300000000 ] - [ -0.0000332700000000, -0.0001195300000000, -0.0007972300000000 ] - [ 0.0000332700000000, -0.0001195300000000, -0.0007972300000000 ] - [ -0.0000332700000000, 0.0001195300000000, -0.0007972300000000 ] - [ -0.0013857100000000, -0.0006631100000000, 0.0008007800000000 ] - [ 0.0013857100000000, 0.0006631100000000, 0.0008007800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002496100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011266400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0089854900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0101248000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0014548600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020298400000000 ] - [ 0.0000000000000000, -0.0005483800000000, 0.0007453100000000 ] - [ 0.0000000000000000, 0.0005483800000000, 0.0007453100000000 ] - [ 0.0023331100000000, 0.0000000000000000, -0.0021428200000000 ] - [ -0.0023331100000000, 0.0000000000000000, -0.0021428200000000 ] - [ 0.0000000000000000, -0.0002956600000000, -0.0012015300000000 ] - [ 0.0000000000000000, 0.0002956600000000, -0.0012015300000000 ] - [ 0.0002326000000000, 0.0000000000000000, 0.0006254600000000 ] - [ -0.0002326000000000, 0.0000000000000000, 0.0006254600000000 ] - [ 0.0000000000000000, 0.0024855100000000, -0.0021107600000000 ] - [ 0.0000000000000000, -0.0024855100000000, -0.0021107600000000 ] - [ -0.0013606800000000, 0.0000000000000000, 0.0020458100000000 ] - [ 0.0013606800000000, 0.0000000000000000, 0.0020458100000000 ] - [ 0.0000000000000000, -0.0004229700000000, 0.0008418500000000 ] - [ 0.0000000000000000, 0.0004229700000000, 0.0008418500000000 ] - [ -0.0002111100000000, 0.0000000000000000, -0.0005221900000000 ] - [ 0.0002111100000000, 0.0000000000000000, -0.0005221900000000 ] - [ 0.0000000000000000, 0.0021720600000000, -0.0022290400000000 ] - [ 0.0000000000000000, -0.0021720600000000, -0.0022290400000000 ] - [ -0.0007028400000000, 0.0000000000000000, 0.0017304500000000 ] - [ 0.0007028400000000, 0.0000000000000000, 0.0017304500000000 ] - [ 0.0000000000000000, 0.0003440500000000, -0.0001045000000000 ] - [ 0.0000000000000000, -0.0003440500000000, -0.0001045000000000 ] - [ -0.0004583400000000, 0.0000000000000000, 0.0003759700000000 ] - [ 0.0004583400000000, 0.0000000000000000, 0.0003759700000000 ]- atom: 11 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003707300000000, 0.0003300600000000, 0.0001762100000000 ] - [ 0.0000526000000000, -0.0000076100000000, 0.0000599700000000 ] - [ 0.0000243300000000, -0.0000020500000000, -0.0001795200000000 ] - [ -0.0003241800000000, -0.0004320300000000, 0.0004221800000000 ] - [ -0.0003707300000000, -0.0003300600000000, 0.0001762100000000 ] - [ 0.0000526000000000, 0.0000076100000000, 0.0000599700000000 ] - [ 0.0000243300000000, 0.0000020500000000, -0.0001795200000000 ] - [ -0.0003241800000000, 0.0004320300000000, 0.0004221800000000 ] - [ -0.0000305400000000, 0.0000000000000000, 0.0002003200000000 ] - [ -0.0000217400000000, 0.0000000000000000, 0.0001991500000000 ] - [ -0.0110498400000000, 0.0000000000000000, -0.0001944000000000 ] - [ -0.0000130400000000, 0.0000000000000000, -0.0001443800000000 ] - [ -0.0001633000000000, 0.0002012500000000, -0.0001836700000000 ] - [ 0.0001665800000000, -0.0002046400000000, -0.0001578700000000 ] - [ 0.0014864600000000, 0.0030941600000000, 0.0001790000000000 ] - [ 0.0018955100000000, 0.0034672500000000, -0.0005204100000000 ] - [ 0.0014864600000000, -0.0030941600000000, 0.0001790000000000 ] - [ 0.0018955100000000, -0.0034672500000000, -0.0005204100000000 ] - [ -0.0001633000000000, -0.0002012500000000, -0.0001836700000000 ] - [ 0.0001665800000000, 0.0002046400000000, -0.0001578700000000 ] - [ -0.0006432300000000, 0.0000000000000000, -0.0000345400000000 ] - [ -0.0005390600000000, 0.0000000000000000, -0.0000026600000000 ] - [ 0.0003297500000000, 0.0000000000000000, 0.0002217300000000 ] - [ -0.0003558300000000, 0.0000000000000000, 0.0002218100000000 ] - [ 0.0095095700000000, 0.0000000000000000, 0.0002595500000000 ] - [ 0.0001151400000000, 0.0000000000000000, 0.0002794500000000 ] - [ -0.0014503100000000, -0.0001539400000000, -0.0002603100000000 ] - [ -0.0014503100000000, 0.0001539400000000, -0.0002603100000000 ] - [ 0.0001168200000000, 0.0000000000000000, -0.0003433100000000 ] - [ -0.0001801100000000, 0.0000000000000000, -0.0001901200000000 ] - [ -0.0000387500000000, 0.0001080600000000, -0.0002738800000000 ] - [ -0.0000387500000000, -0.0001080600000000, -0.0002738800000000 ] - [ -0.0040684800000000, 0.0000000000000000, -0.0039113000000000 ] - [ -0.0041339600000000, 0.0000000000000000, 0.0034079700000000 ] - [ 0.0000972300000000, 0.0002147900000000, 0.0003430900000000 ] - [ 0.0000972300000000, -0.0002147900000000, 0.0003430900000000 ] - [ -0.0003917300000000, 0.0000000000000000, 0.0004313600000000 ] - [ 0.0000391400000000, 0.0000000000000000, 0.0002504200000000 ] - [ 0.0027028700000000, -0.0002347400000000, 0.0001244800000000 ] - [ 0.0027028700000000, 0.0002347400000000, 0.0001244800000000 ] - [ -0.0000622800000000, 0.0000000000000000, 0.0000954200000000 ] - [ 0.0004427300000000, 0.0000000000000000, 0.0001310300000000 ] - [ -0.0001865400000000, -0.0001573900000000, -0.0000471400000000 ] - [ -0.0001865400000000, 0.0001573900000000, -0.0000471400000000 ] - [ 0.0003144900000000, 0.0000000000000000, -0.0001961100000000 ] - [ -0.0000039800000000, 0.0000000000000000, 0.0001079400000000 ] - [ 0.0013031700000000, 0.0001362700000000, -0.0000430900000000 ] - [ 0.0013031700000000, -0.0001362700000000, -0.0000430900000000 ] - [ 0.0002707600000000, 0.0000000000000000, -0.0001564000000000 ] - [ -0.0000344400000000, 0.0000000000000000, 0.0000890000000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006599600000000, 0.0002086500000000, 0.0006308200000000 ] - [ 0.0010921100000000, -0.0001252300000000, -0.0003912400000000 ] - [ -0.0007082200000000, 0.0004384600000000, 0.0004525300000000 ] - [ -0.0010480200000000, 0.0000051300000000, -0.0002143800000000 ] - [ -0.0010921100000000, -0.0001252300000000, -0.0003912400000000 ] - [ -0.0006599600000000, 0.0002086500000000, 0.0006308200000000 ] - [ 0.0010480200000000, 0.0000051300000000, -0.0002143800000000 ] - [ 0.0007082200000000, 0.0004384600000000, 0.0004525300000000 ] - [ 0.0000000000000000, -0.0000653800000000, 0.0001988200000000 ] - [ 0.0000000000000000, 0.0000544500000000, 0.0001983400000000 ] - [ 0.0000000000000000, -0.0281533300000000, -0.0001154600000000 ] - [ 0.0000000000000000, -0.0000141300000000, -0.0001441400000000 ] - [ -0.0002620200000000, 0.0001172900000000, -0.0001483900000000 ] - [ 0.0000666700000000, -0.0002885100000000, -0.0001910100000000 ] - [ 0.0033912300000000, 0.0023757700000000, -0.0000442900000000 ] - [ 0.0038410700000000, 0.0027271400000000, -0.0003001700000000 ] - [ -0.0038410700000000, 0.0027271400000000, -0.0003001700000000 ] - [ -0.0033912300000000, 0.0023757700000000, -0.0000442900000000 ] - [ -0.0000666700000000, -0.0002885100000000, -0.0001910100000000 ] - [ 0.0002620200000000, 0.0001172900000000, -0.0001483900000000 ] - [ 0.0000000000000000, -0.0092349500000000, -0.0000349200000000 ] - [ 0.0000000000000000, -0.0094876800000000, 0.0000002200000000 ] - [ 0.0000000000000000, -0.0003180300000000, 0.0002249200000000 ] - [ 0.0000000000000000, -0.0005261500000000, 0.0002259000000000 ] - [ 0.0000000000000000, 0.0010389400000000, 0.0002947300000000 ] - [ 0.0000000000000000, 0.0008844900000000, 0.0002776900000000 ] - [ 0.0000000000000000, 0.0001456800000000, -0.0005905200000000 ] - [ 0.0000000000000000, 0.0004385200000000, 0.0000502500000000 ] - [ 0.0001473400000000, -0.0005225900000000, -0.0002681400000000 ] - [ -0.0001473400000000, -0.0005225900000000, -0.0002681400000000 ] - [ 0.0000000000000000, -0.0002014400000000, -0.0003521000000000 ] - [ 0.0000000000000000, -0.0004228500000000, -0.0001957800000000 ] - [ 0.0001262200000000, 0.0005887900000000, -0.0002853300000000 ] - [ -0.0001262200000000, 0.0005887900000000, -0.0002853300000000 ] - [ 0.0000000000000000, 0.0002989300000000, 0.0003122300000000 ] - [ 0.0000000000000000, -0.0001291500000000, 0.0003694200000000 ] - [ -0.0002137400000000, -0.0003014800000000, 0.0003404100000000 ] - [ 0.0002137400000000, -0.0003014800000000, 0.0003404100000000 ] - [ 0.0000000000000000, 0.0072005000000000, 0.0008021500000000 ] - [ 0.0000000000000000, 0.0078723800000000, -0.0007535200000000 ] - [ -0.0002447000000000, 0.0016181000000000, 0.0001093400000000 ] - [ 0.0002447000000000, 0.0016181000000000, 0.0001093400000000 ] - [ 0.0000000000000000, -0.0001778700000000, -0.0001501600000000 ] - [ 0.0000000000000000, 0.0001381600000000, 0.0000579500000000 ] - [ 0.0001582300000000, 0.0000789700000000, -0.0000465500000000 ] - [ -0.0001582300000000, 0.0000789700000000, -0.0000465500000000 ] - [ 0.0000000000000000, 0.0071039800000000, 0.0009690500000000 ] - [ 0.0000000000000000, 0.0066493600000000, -0.0008730400000000 ] - [ 0.0001481200000000, 0.0015322800000000, -0.0000296000000000 ] - [ -0.0001481200000000, 0.0015322800000000, -0.0000296000000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0008628400000000, 0.0002728000000000, 0.0005536800000000 ] - [ -0.0008628400000000, -0.0002728000000000, 0.0005536800000000 ] - [ -0.0008260200000000, 0.0004680700000000, 0.0005247400000000 ] - [ 0.0008260200000000, -0.0004680700000000, 0.0005247400000000 ] - [ 0.0008628400000000, -0.0002728000000000, 0.0005536800000000 ] - [ -0.0008628400000000, 0.0002728000000000, 0.0005536800000000 ] - [ -0.0008260200000000, -0.0004680700000000, 0.0005247400000000 ] - [ 0.0008260200000000, 0.0004680700000000, 0.0005247400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005938900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003674400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0267175300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0008406000000000 ] - [ -0.0002330900000000, 0.0001808600000000, 0.0005800700000000 ] - [ 0.0002330900000000, -0.0001808600000000, 0.0005800700000000 ] - [ 0.0003156300000000, 0.0001181900000000, -0.0023553900000000 ] - [ -0.0003156300000000, -0.0001181900000000, -0.0023553900000000 ] - [ 0.0003156300000000, -0.0001181900000000, -0.0023553900000000 ] - [ -0.0003156300000000, 0.0001181900000000, -0.0023553900000000 ] - [ -0.0002330900000000, -0.0001808600000000, 0.0005800700000000 ] - [ 0.0002330900000000, 0.0001808600000000, 0.0005800700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0088126000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0096969500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004086200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0010893300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023818200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0018781700000000 ] - [ 0.0000000000000000, -0.0005519500000000, 0.0007438400000000 ] - [ 0.0000000000000000, 0.0005519500000000, 0.0007438400000000 ] - [ 0.0000226300000000, 0.0000000000000000, -0.0013141400000000 ] - [ -0.0000226300000000, 0.0000000000000000, -0.0013141400000000 ] - [ 0.0000000000000000, -0.0002264600000000, -0.0009473000000000 ] - [ 0.0000000000000000, 0.0002264600000000, -0.0009473000000000 ] - [ -0.0023475900000000, 0.0000000000000000, 0.0025955800000000 ] - [ 0.0023475900000000, 0.0000000000000000, 0.0025955800000000 ] - [ 0.0000000000000000, 0.0000527300000000, -0.0002421300000000 ] - [ 0.0000000000000000, -0.0000527300000000, -0.0002421300000000 ] - [ -0.0001728800000000, 0.0000000000000000, 0.0007141200000000 ] - [ 0.0001728800000000, 0.0000000000000000, 0.0007141200000000 ] - [ 0.0000000000000000, 0.0023256900000000, 0.0035993900000000 ] - [ 0.0000000000000000, -0.0023256900000000, 0.0035993900000000 ] - [ 0.0007086100000000, 0.0000000000000000, -0.0016462600000000 ] - [ -0.0007086100000000, 0.0000000000000000, -0.0016462600000000 ] - [ 0.0000000000000000, -0.0000173700000000, -0.0000579000000000 ] - [ 0.0000000000000000, 0.0000173700000000, -0.0000579000000000 ] - [ 0.0004377500000000, 0.0000000000000000, -0.0002784400000000 ] - [ -0.0004377500000000, 0.0000000000000000, -0.0002784400000000 ] - [ 0.0000000000000000, 0.0031563500000000, 0.0032158300000000 ] - [ 0.0000000000000000, -0.0031563500000000, 0.0032158300000000 ] - [ 0.0010298700000000, 0.0000000000000000, -0.0019154900000000 ] - [ -0.0010298700000000, 0.0000000000000000, -0.0019154900000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0012994100000000, 0.0000624900000000, -0.0003178900000000 ] - [ 0.0012994100000000, -0.0000624900000000, -0.0003178900000000 ] - [ 0.0011616700000000, -0.0000324400000000, -0.0002841500000000 ] - [ -0.0011616700000000, 0.0000324400000000, -0.0002841500000000 ] - [ -0.0012994100000000, -0.0000624900000000, -0.0003178900000000 ] - [ 0.0012994100000000, 0.0000624900000000, -0.0003178900000000 ] - [ 0.0011616700000000, 0.0000324400000000, -0.0002841500000000 ] - [ -0.0011616700000000, -0.0000324400000000, -0.0002841500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0002001000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007611600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0264481800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011230400000000 ] - [ -0.0000991000000000, 0.0002253900000000, -0.0009212200000000 ] - [ 0.0000991000000000, -0.0002253900000000, -0.0009212200000000 ] - [ -0.0007090700000000, -0.0004318200000000, 0.0020187900000000 ] - [ 0.0007090700000000, 0.0004318200000000, 0.0020187900000000 ] - [ -0.0007090700000000, 0.0004318200000000, 0.0020187900000000 ] - [ 0.0007090700000000, -0.0004318200000000, 0.0020187900000000 ] - [ -0.0000991000000000, -0.0002253900000000, -0.0009212200000000 ] - [ 0.0000991000000000, 0.0002253900000000, -0.0009212200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0087518000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098643700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000538000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006329800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029674400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013335700000000 ] - [ 0.0000000000000000, 0.0002587900000000, -0.0012800300000000 ] - [ 0.0000000000000000, -0.0002587900000000, -0.0012800300000000 ] - [ 0.0002717100000000, 0.0000000000000000, 0.0007802500000000 ] - [ -0.0002717100000000, 0.0000000000000000, 0.0007802500000000 ] - [ 0.0000000000000000, 0.0004544700000000, 0.0004041600000000 ] - [ 0.0000000000000000, -0.0004544700000000, 0.0004041600000000 ] - [ 0.0025675500000000, 0.0000000000000000, -0.0031640700000000 ] - [ -0.0025675500000000, 0.0000000000000000, -0.0031640700000000 ] - [ 0.0000000000000000, 0.0003794500000000, 0.0009290100000000 ] - [ 0.0000000000000000, -0.0003794500000000, 0.0009290100000000 ] - [ -0.0002564900000000, 0.0000000000000000, -0.0000287800000000 ] - [ 0.0002564900000000, 0.0000000000000000, -0.0000287800000000 ] - [ 0.0000000000000000, -0.0029864700000000, -0.0035489800000000 ] - [ 0.0000000000000000, 0.0029864700000000, -0.0035489800000000 ] - [ -0.0012063600000000, 0.0000000000000000, 0.0018701300000000 ] - [ 0.0012063600000000, 0.0000000000000000, 0.0018701300000000 ] - [ 0.0000000000000000, -0.0003032800000000, -0.0000411300000000 ] - [ 0.0000000000000000, 0.0003032800000000, -0.0000411300000000 ] - [ -0.0001188900000000, 0.0000000000000000, 0.0001809300000000 ] - [ 0.0001188900000000, 0.0000000000000000, 0.0001809300000000 ] - [ 0.0000000000000000, -0.0026999500000000, -0.0031119800000000 ] - [ 0.0000000000000000, 0.0026999500000000, -0.0031119800000000 ] - [ -0.0007289700000000, 0.0000000000000000, 0.0018570600000000 ] - [ 0.0007289700000000, 0.0000000000000000, 0.0018570600000000 ]- atom: 13 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004670300000000, -0.0003560100000000, 0.0002097800000000 ] - [ 0.0011333600000000, 0.0001141900000000, -0.0001231000000000 ] - [ -0.0009861300000000, 0.0001589800000000, -0.0002120400000000 ] - [ -0.0001592000000000, -0.0001074300000000, -0.0000944200000000 ] - [ -0.0013502800000000, 0.0001601400000000, -0.0003133700000000 ] - [ 0.0004158500000000, -0.0002080900000000, 0.0001959200000000 ] - [ 0.0002195900000000, -0.0002802400000000, -0.0003975400000000 ] - [ 0.0001939200000000, 0.0001670100000000, -0.0000910200000000 ] - [ 0.0004283800000000, -0.0013750100000000, 0.0014144500000000 ] - [ -0.0000633500000000, 0.0000019200000000, -0.0000897600000000 ] - [ -0.0000004900000000, -0.0000980100000000, -0.0002081700000000 ] - [ 0.0025639400000000, -0.0033039600000000, 0.0001367000000000 ] - [ -0.0387930800000000, -0.0017844900000000, -0.0021904500000000 ] - [ 0.0007930600000000, -0.0001429900000000, 0.0000000700000000 ] - [ -0.0002734100000000, -0.0002453000000000, -0.0002773300000000 ] - [ 0.0003994400000000, 0.0002457100000000, -0.0002323100000000 ] - [ -0.0003902200000000, 0.0002346500000000, -0.0002354200000000 ] - [ 0.0002672000000000, -0.0002774300000000, -0.0002801400000000 ] - [ -0.0009567900000000, -0.0001272200000000, 0.0002098500000000 ] - [ 0.0023971000000000, 0.0001196000000000, 0.0000098600000000 ] - [ 0.0006087600000000, -0.0008319700000000, -0.0005901900000000 ] - [ 0.0006808200000000, -0.0006290600000000, 0.0006556500000000 ] - [ -0.0002174800000000, -0.0014562800000000, 0.0002342800000000 ] - [ -0.0012592600000000, -0.0065713900000000, -0.0041852100000000 ] - [ -0.0001006100000000, 0.0002849700000000, -0.0001493700000000 ] - [ 0.0009052100000000, 0.0069206200000000, -0.0042844100000000 ] - [ 0.0000375000000000, -0.0004925800000000, 0.0000679600000000 ] - [ 0.0000819400000000, 0.0003187600000000, -0.0001395200000000 ] - [ 0.0020171800000000, -0.0013962800000000, 0.0007820300000000 ] - [ -0.0012402300000000, -0.0007336500000000, 0.0007428500000000 ] - [ -0.0000019100000000, -0.0014143400000000, 0.0000057600000000 ] - [ 0.0175905100000000, 0.0034234700000000, 0.0088440200000000 ] - [ 0.0003492300000000, -0.0000587200000000, -0.0000711700000000 ] - [ -0.0002788000000000, -0.0000687900000000, -0.0001089100000000 ] - [ 0.0141657900000000, 0.0003221400000000, -0.0021270300000000 ] - [ 0.0001569800000000, 0.0014763800000000, 0.0001546100000000 ] - [ -0.0000600500000000, 0.0002094000000000, 0.0004496400000000 ] - [ 0.0000728900000000, 0.0003398500000000, 0.0003773200000000 ] - [ -0.0001712000000000, 0.0000132500000000, 0.0000126900000000 ] - [ -0.0000813200000000, 0.0002937500000000, -0.0001610700000000 ] - [ 0.0015122300000000, 0.0015231600000000, 0.0006669100000000 ] - [ -0.0002100100000000, 0.0003210200000000, 0.0003430100000000 ] - [ 0.0000692100000000, 0.0001357200000000, 0.0002406800000000 ] - [ 0.0001029400000000, 0.0012214200000000, -0.0004765600000000 ] - [ -0.0010566300000000, 0.0013676000000000, 0.0017890300000000 ] - [ 0.0006254100000000, 0.0008479100000000, 0.0010409400000000 ] - [ -0.0000916700000000, 0.0002163900000000, 0.0002990000000000 ] - [ -0.0000735600000000, -0.0001650100000000, 0.0000457900000000 ] - [ -0.0004925900000000, 0.0002131500000000, -0.0003624000000000 ] - [ 0.0009868500000000, 0.0014731300000000, -0.0015279000000000 ]- atom: 13 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000316000000000, 0.0006906600000000, 0.0000251200000000 ] - [ -0.0006997800000000, -0.0004468600000000, 0.0003610500000000 ] - [ 0.0013197000000000, 0.0002752200000000, 0.0004623800000000 ] - [ -0.0001781700000000, -0.0003290200000000, 0.0003373800000000 ] - [ 0.0009172500000000, -0.0004953000000000, 0.0005476800000000 ] - [ 0.0000179400000000, 0.0005438700000000, 0.0000360700000000 ] - [ 0.0001223700000000, -0.0001512700000000, 0.0006355000000000 ] - [ -0.0005283200000000, 0.0002722700000000, 0.0003298000000000 ] - [ -0.0004301700000000, 0.0013847200000000, -0.0010255900000000 ] - [ 0.0000620400000000, -0.0000010500000000, 0.0004820900000000 ] - [ 0.0000002600000000, 0.0000969800000000, -0.0000739800000000 ] - [ -0.0025404200000000, 0.0032577600000000, -0.0004136800000000 ] - [ 0.0382945300000000, 0.0017028700000000, 0.0012279200000000 ] - [ -0.0004686900000000, -0.0002619900000000, -0.0003445400000000 ] - [ -0.0001318500000000, -0.0000854100000000, -0.0000676900000000 ] - [ 0.0000083900000000, 0.0000859100000000, -0.0001057500000000 ] - [ -0.0000200800000000, 0.0000936100000000, -0.0001092300000000 ] - [ 0.0001330700000000, -0.0000530300000000, -0.0000565100000000 ] - [ 0.0006279700000000, -0.0002759100000000, -0.0005573400000000 ] - [ -0.0020724900000000, 0.0002920800000000, -0.0003400700000000 ] - [ -0.0006313900000000, 0.0008218500000000, 0.0005421300000000 ] - [ -0.0006926100000000, 0.0006230700000000, -0.0006998200000000 ] - [ 0.0002168500000000, 0.0014643500000000, 0.0002180800000000 ] - [ 0.0012402500000000, 0.0065832100000000, 0.0046543200000000 ] - [ 0.0001011000000000, -0.0002860900000000, 0.0006953000000000 ] - [ -0.0009070400000000, -0.0069102900000000, 0.0048321600000000 ] - [ -0.0000383900000000, 0.0001981300000000, -0.0006029700000000 ] - [ -0.0000830900000000, -0.0000210100000000, -0.0003934600000000 ] - [ -0.0017208100000000, 0.0013905400000000, -0.0013067700000000 ] - [ 0.0009457800000000, 0.0007300500000000, -0.0012797000000000 ] - [ 0.0000013700000000, 0.0016339400000000, -0.0005447200000000 ] - [ -0.0168536900000000, -0.0033687200000000, -0.0090449400000000 ] - [ -0.0001221300000000, 0.0000598000000000, -0.0004721900000000 ] - [ 0.0000506000000000, 0.0000700300000000, -0.0004359800000000 ] - [ -0.0147316900000000, 0.0003068900000000, 0.0030502900000000 ] - [ -0.0001577500000000, -0.0019181600000000, 0.0005310000000000 ] - [ -0.0003757600000000, -0.0002102000000000, 0.0002376900000000 ] - [ 0.0003628900000000, -0.0003416400000000, 0.0003104900000000 ] - [ 0.0001737100000000, -0.0005112500000000, 0.0002165600000000 ] - [ 0.0000820600000000, 0.0002050400000000, 0.0003860400000000 ] - [ -0.0019877300000000, -0.0015006200000000, -0.0004204500000000 ] - [ 0.0007096100000000, -0.0003179200000000, -0.0001126700000000 ] - [ -0.0000694800000000, -0.0004568000000000, -0.0003385200000000 ] - [ -0.0001057700000000, -0.0009086000000000, 0.0003816000000000 ] - [ 0.0013815800000000, -0.0013612600000000, -0.0018809200000000 ] - [ -0.0009509300000000, -0.0008504500000000, -0.0011435900000000 ] - [ 0.0000943000000000, 0.0000861800000000, -0.0003615500000000 ] - [ 0.0000797700000000, -0.0001373700000000, -0.0001150000000000 ] - [ 0.0007935200000000, -0.0002125100000000, 0.0002971900000000 ] - [ -0.0012702800000000, -0.0014563200000000, 0.0014498000000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001697300000000, 0.0011660900000000, 0.0001426500000000 ] - [ 0.0000947800000000, -0.0004960800000000, 0.0008346900000000 ] - [ 0.0002689900000000, -0.0016634300000000, -0.0006395800000000 ] - [ -0.0002993100000000, 0.0001945600000000, -0.0001314700000000 ] - [ -0.0000491600000000, -0.0014593900000000, 0.0004535100000000 ] - [ 0.0001218700000000, 0.0003903400000000, 0.0004106400000000 ] - [ 0.0000559600000000, 0.0017330700000000, -0.0003187000000000 ] - [ -0.0003109600000000, -0.0001743500000000, -0.0001059200000000 ] - [ -0.0012241300000000, 0.0007813000000000, -0.0002621200000000 ] - [ -0.0001554600000000, -0.0000154800000000, 0.0004323100000000 ] - [ -0.0000017800000000, -0.0000838900000000, -0.0001637600000000 ] - [ -0.0035986400000000, 0.0016864900000000, -0.0006535200000000 ] - [ -0.0019621600000000, -0.0100514100000000, -0.0075201100000000 ] - [ 0.0002217700000000, 0.0002414500000000, -0.0002831800000000 ] - [ 0.0000016000000000, 0.0000319200000000, -0.0001863500000000 ] - [ -0.0000006700000000, 0.0000965800000000, -0.0001516300000000 ] - [ -0.0000557300000000, -0.0000186500000000, -0.0001619900000000 ] - [ -0.0001153000000000, -0.0000961300000000, -0.0001634500000000 ] - [ -0.0002373500000000, 0.0021211400000000, 0.0001149400000000 ] - [ 0.0002486300000000, -0.0006217000000000, -0.0007354100000000 ] - [ -0.0045039500000000, -0.0007324300000000, 0.0024750600000000 ] - [ -0.0041046100000000, -0.0008745800000000, -0.0011113900000000 ] - [ -0.0004196200000000, 0.0002701800000000, -0.0003578500000000 ] - [ -0.0016902600000000, 0.0020771900000000, 0.0009402300000000 ] - [ 0.0003550500000000, -0.0000920600000000, 0.0005675500000000 ] - [ 0.0068038100000000, 0.0029265200000000, 0.0031596800000000 ] - [ -0.0001693500000000, 0.0001369600000000, -0.0004189600000000 ] - [ -0.0001803900000000, -0.0001028600000000, -0.0003595000000000 ] - [ -0.0015246200000000, -0.0022712700000000, -0.0000264000000000 ] - [ -0.0011282900000000, -0.0003305600000000, -0.0002609400000000 ] - [ -0.0006819200000000, -0.0009279100000000, -0.0010774300000000 ] - [ 0.0043804700000000, 0.0025806600000000, 0.0016768700000000 ] - [ -0.0002219700000000, 0.0000209300000000, -0.0003897000000000 ] - [ 0.0000055600000000, 0.0000433900000000, -0.0003267200000000 ] - [ -0.0016886500000000, 0.0012677500000000, 0.0013982400000000 ] - [ 0.0002715700000000, -0.0009695400000000, 0.0002721700000000 ] - [ -0.0001735000000000, -0.0000350800000000, 0.0005837500000000 ] - [ 0.0005137300000000, -0.0000875400000000, 0.0005544500000000 ] - [ 0.0010418000000000, -0.0009310300000000, 0.0008604100000000 ] - [ 0.0005717600000000, 0.0008422900000000, 0.0003742600000000 ] - [ 0.0019059800000000, 0.0035592600000000, 0.0009478700000000 ] - [ 0.0014006400000000, 0.0001635500000000, 0.0003534700000000 ] - [ 0.0002750500000000, -0.0003469300000000, 0.0003131300000000 ] - [ 0.0004058000000000, 0.0001259800000000, 0.0006049400000000 ] - [ 0.0003427900000000, -0.0003672900000000, -0.0002891500000000 ] - [ 0.0000346900000000, -0.0005053500000000, -0.0007263600000000 ] - [ 0.0005242200000000, 0.0009105300000000, -0.0006206300000000 ] - [ 0.0008973600000000, -0.0012539200000000, -0.0010140300000000 ] - [ 0.0011446000000000, 0.0003054000000000, -0.0004852800000000 ] - [ 0.0024395600000000, 0.0008353100000000, 0.0014706900000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0005984500000000, -0.0008268900000000, 0.0000935500000000 ] - [ 0.0003411100000000, 0.0001622400000000, -0.0005965200000000 ] - [ 0.0000751500000000, 0.0020830600000000, 0.0008931300000000 ] - [ -0.0000374600000000, -0.0006303100000000, 0.0003766700000000 ] - [ -0.0003840000000000, 0.0011245200000000, -0.0002243500000000 ] - [ 0.0003128200000000, -0.0000578400000000, -0.0001789900000000 ] - [ 0.0002833100000000, -0.0021584100000000, 0.0005568300000000 ] - [ -0.0000221300000000, 0.0006119100000000, 0.0003478300000000 ] - [ 0.0012116300000000, -0.0007798600000000, 0.0006572400000000 ] - [ 0.0001533700000000, 0.0000153700000000, -0.0000367200000000 ] - [ 0.0000020300000000, 0.0000825900000000, -0.0001224900000000 ] - [ 0.0036343900000000, -0.0016975300000000, 0.0003683500000000 ] - [ 0.0015210600000000, 0.0106895600000000, 0.0073251900000000 ] - [ 0.0001049200000000, -0.0006479200000000, -0.0000617600000000 ] - [ -0.0004073800000000, -0.0003656200000000, -0.0001580200000000 ] - [ 0.0004054600000000, 0.0002286500000000, -0.0001857100000000 ] - [ -0.0003502400000000, 0.0003454300000000, -0.0001824700000000 ] - [ 0.0005172500000000, -0.0002355900000000, -0.0001730900000000 ] - [ -0.0000925000000000, -0.0025299300000000, -0.0004603100000000 ] - [ 0.0000787400000000, 0.0010318900000000, 0.0004003000000000 ] - [ 0.0045067200000000, 0.0007208500000000, -0.0025159500000000 ] - [ 0.0041142400000000, 0.0008704500000000, 0.0010705900000000 ] - [ 0.0004152500000000, -0.0002751400000000, 0.0008100800000000 ] - [ 0.0016623600000000, -0.0021095800000000, -0.0004966700000000 ] - [ -0.0003557300000000, 0.0000930400000000, -0.0000158000000000 ] - [ -0.0067469400000000, -0.0029437000000000, -0.0025896500000000 ] - [ 0.0001696100000000, -0.0004336600000000, -0.0001160600000000 ] - [ 0.0001803000000000, 0.0003987400000000, -0.0001753500000000 ] - [ 0.0018213700000000, 0.0023580900000000, -0.0005484400000000 ] - [ 0.0008270800000000, 0.0003356500000000, -0.0002829500000000 ] - [ 0.0006762200000000, 0.0011578800000000, 0.0005338200000000 ] - [ -0.0043806000000000, -0.0028429500000000, -0.0022325500000000 ] - [ 0.0004484800000000, -0.0000211200000000, -0.0001534100000000 ] - [ -0.0002306600000000, -0.0000434600000000, -0.0002185700000000 ] - [ 0.0017050200000000, -0.0008359300000000, -0.0007131800000000 ] - [ -0.0002683900000000, 0.0005456100000000, 0.0004094900000000 ] - [ -0.0002556700000000, 0.0000352800000000, 0.0001011300000000 ] - [ -0.0000828600000000, 0.0000881100000000, 0.0001281000000000 ] - [ -0.0010435600000000, 0.0004357800000000, -0.0006351800000000 ] - [ -0.0005750400000000, -0.0003470900000000, -0.0001502800000000 ] - [ -0.0023681000000000, -0.0037285600000000, -0.0008747400000000 ] - [ -0.0009074400000000, -0.0001643600000000, -0.0001282300000000 ] - [ -0.0002729100000000, 0.0000293100000000, -0.0004073100000000 ] - [ -0.0004038800000000, 0.0001965900000000, -0.0006993800000000 ] - [ -0.0000267200000000, 0.0003773100000000, 0.0002065200000000 ] - [ -0.0003465200000000, 0.0005085000000000, 0.0006301100000000 ] - [ -0.0005274700000000, -0.0006109300000000, 0.0005585800000000 ] - [ -0.0008953900000000, 0.0009515800000000, 0.0009452000000000 ] - [ -0.0008471000000000, -0.0003047300000000, 0.0004198600000000 ] - [ -0.0027407400000000, -0.0008868800000000, -0.0014984300000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005797100000000, -0.0003083800000000, 0.0004214100000000 ] - [ 0.0001851500000000, -0.0001290400000000, 0.0003677000000000 ] - [ -0.0001493900000000, -0.0005623800000000, 0.0053031300000000 ] - [ -0.0002505800000000, -0.0000076000000000, -0.0000135800000000 ] - [ -0.0005724300000000, 0.0000053100000000, 0.0038296500000000 ] - [ 0.0002918800000000, 0.0000873000000000, 0.0000814100000000 ] - [ 0.0006266900000000, 0.0003258800000000, 0.0012371100000000 ] - [ -0.0001055600000000, 0.0000721900000000, -0.0000343300000000 ] - [ 0.0009073800000000, -0.0003091000000000, -0.0007740100000000 ] - [ -0.0001246600000000, -0.0000253900000000, 0.0008235500000000 ] - [ -0.0000129500000000, 0.0000186100000000, 0.0006100800000000 ] - [ 0.0001195500000000, -0.0003416400000000, -0.0023299000000000 ] - [ -0.0019027500000000, -0.0071790800000000, -0.0140782400000000 ] - [ -0.0000099900000000, -0.0000910100000000, -0.0005856100000000 ] - [ -0.0002213800000000, -0.0002299400000000, 0.0004057100000000 ] - [ 0.0001886500000000, 0.0002692300000000, 0.0004084500000000 ] - [ -0.0002145600000000, 0.0002265600000000, 0.0003718900000000 ] - [ 0.0002070800000000, -0.0002757300000000, 0.0004501800000000 ] - [ 0.0002172200000000, -0.0004881600000000, -0.0022818500000000 ] - [ -0.0000111300000000, -0.0003645100000000, -0.0008862100000000 ] - [ -0.0038117200000000, -0.0005360000000000, 0.0026788800000000 ] - [ 0.0035470000000000, 0.0008723800000000, 0.0023456500000000 ] - [ -0.0003738600000000, -0.0011147000000000, 0.0012994900000000 ] - [ -0.0012887900000000, 0.0020304400000000, 0.0016760800000000 ] - [ 0.0003070900000000, -0.0000475900000000, 0.0014188500000000 ] - [ -0.0048663500000000, 0.0022734100000000, -0.0048369300000000 ] - [ 0.0000741600000000, 0.0000659700000000, -0.0009931100000000 ] - [ 0.0000467500000000, -0.0000600700000000, -0.0009451000000000 ] - [ 0.0018924500000000, 0.0021552300000000, 0.0019143600000000 ] - [ 0.0002436600000000, -0.0008168700000000, 0.0012683900000000 ] - [ 0.0008939100000000, -0.0000629300000000, 0.0011370900000000 ] - [ 0.0088240600000000, 0.0012833500000000, 0.0048049700000000 ] - [ -0.0001527300000000, -0.0000179300000000, -0.0007815500000000 ] - [ 0.0000500300000000, -0.0000267500000000, -0.0008473100000000 ] - [ -0.0036647000000000, 0.0012245800000000, 0.0020330700000000 ] - [ 0.0000034100000000, -0.0009307400000000, 0.0009401800000000 ] - [ -0.0000268300000000, 0.0001234200000000, -0.0002654600000000 ] - [ -0.0001521600000000, 0.0002804100000000, -0.0004283300000000 ] - [ -0.0009793200000000, 0.0005317000000000, -0.0014353200000000 ] - [ -0.0005263400000000, -0.0001871800000000, -0.0008922500000000 ] - [ 0.0011457300000000, 0.0008820700000000, 0.0019360500000000 ] - [ 0.0013955600000000, 0.0001446900000000, 0.0006519800000000 ] - [ -0.0001517500000000, -0.0001661200000000, -0.0001942100000000 ] - [ -0.0003205700000000, 0.0012019200000000, -0.0008404200000000 ] - [ 0.0003988100000000, -0.0000786500000000, -0.0003569500000000 ] - [ 0.0003485300000000, -0.0008420500000000, -0.0006609200000000 ] - [ 0.0006576400000000, 0.0003980200000000, -0.0011504700000000 ] - [ 0.0008847500000000, -0.0006154700000000, -0.0015405400000000 ] - [ -0.0005375000000000, 0.0000677300000000, 0.0001131200000000 ] - [ -0.0024494200000000, 0.0012746300000000, -0.0013758300000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001450500000000, 0.0006444800000000, -0.0001831200000000 ] - [ 0.0002543100000000, -0.0001993200000000, -0.0001323100000000 ] - [ 0.0004969800000000, 0.0010052200000000, -0.0051573400000000 ] - [ -0.0000859700000000, -0.0004275900000000, 0.0002601900000000 ] - [ 0.0001310000000000, -0.0003433600000000, -0.0035200900000000 ] - [ 0.0001438100000000, 0.0002459100000000, 0.0001508500000000 ] - [ -0.0002839600000000, -0.0007572500000000, -0.0009991500000000 ] - [ -0.0002304800000000, 0.0003629400000000, 0.0002773300000000 ] - [ -0.0009045800000000, 0.0003092200000000, 0.0011783300000000 ] - [ 0.0001231400000000, 0.0000251200000000, -0.0004271000000000 ] - [ 0.0000131100000000, -0.0000204700000000, -0.0008940600000000 ] - [ -0.0001360100000000, 0.0003614800000000, 0.0020416200000000 ] - [ 0.0015119700000000, 0.0076572300000000, 0.0138625000000000 ] - [ 0.0003361600000000, -0.0003138500000000, 0.0002423200000000 ] - [ -0.0001761500000000, -0.0000976100000000, -0.0007482000000000 ] - [ 0.0002131200000000, 0.0000563700000000, -0.0007457400000000 ] - [ -0.0001913300000000, 0.0000967300000000, -0.0007157900000000 ] - [ 0.0001867800000000, -0.0000489100000000, -0.0007856000000000 ] - [ -0.0005509300000000, 0.0000845600000000, 0.0019375100000000 ] - [ 0.0003362100000000, 0.0007717200000000, 0.0005564400000000 ] - [ 0.0038019900000000, 0.0005194900000000, -0.0027228800000000 ] - [ -0.0035333800000000, -0.0008736900000000, -0.0023753000000000 ] - [ 0.0003780900000000, 0.0011304200000000, -0.0008522800000000 ] - [ 0.0012568700000000, -0.0020541800000000, -0.0012474200000000 ] - [ -0.0003046500000000, 0.0000485100000000, -0.0008652200000000 ] - [ 0.0048469600000000, -0.0023070900000000, 0.0054091400000000 ] - [ -0.0000726800000000, -0.0003620500000000, 0.0004572200000000 ] - [ -0.0000471400000000, 0.0003555000000000, 0.0004105600000000 ] - [ -0.0015897500000000, -0.0021205400000000, -0.0024910100000000 ] - [ -0.0005393200000000, 0.0008163400000000, -0.0018029900000000 ] - [ -0.0008959600000000, 0.0002962000000000, -0.0016832800000000 ] - [ -0.0087440400000000, -0.0014857500000000, -0.0054041800000000 ] - [ 0.0003781000000000, 0.0000187000000000, 0.0002381700000000 ] - [ -0.0002745500000000, 0.0000276700000000, 0.0003016200000000 ] - [ 0.0036438800000000, -0.0007647200000000, -0.0013580900000000 ] - [ -0.0000001300000000, 0.0005037500000000, -0.0002525400000000 ] - [ -0.0004058600000000, -0.0001259800000000, 0.0009517100000000 ] - [ 0.0005877300000000, -0.0002858000000000, 0.0011170500000000 ] - [ 0.0009772300000000, -0.0010269000000000, 0.0016606200000000 ] - [ 0.0005227300000000, 0.0006833600000000, 0.0011180200000000 ] - [ -0.0016037800000000, -0.0009940900000000, -0.0018107700000000 ] - [ -0.0009009900000000, -0.0001446600000000, -0.0004268200000000 ] - [ 0.0001509400000000, -0.0001554700000000, 0.0000980700000000 ] - [ 0.0003256700000000, -0.0008978000000000, 0.0007555900000000 ] - [ -0.0000790300000000, 0.0000899300000000, 0.0002761300000000 ] - [ -0.0006549500000000, 0.0008317300000000, 0.0005660200000000 ] - [ -0.0006598800000000, -0.0000940000000000, 0.0010898800000000 ] - [ -0.0008772200000000, 0.0003123800000000, 0.0014690300000000 ] - [ 0.0008318400000000, -0.0000701200000000, -0.0001723500000000 ] - [ 0.0021490400000000, -0.0012837700000000, 0.0013476900000000 ]- atom: 21 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000561500000000, 0.0007605000000000, -0.0000750600000000 ] - [ 0.0003775300000000, 0.0004266500000000, 0.0003110500000000 ] - [ 0.0016327800000000, -0.0070148200000000, 0.0037567600000000 ] - [ 0.0012946400000000, -0.0075111700000000, -0.0035279500000000 ] - [ -0.0000561500000000, -0.0007605000000000, -0.0000750600000000 ] - [ 0.0003775300000000, -0.0004266500000000, 0.0003110500000000 ] - [ 0.0016327800000000, 0.0070148200000000, 0.0037567600000000 ] - [ 0.0012946400000000, 0.0075111700000000, -0.0035279500000000 ] - [ 0.0006067700000000, 0.0000000000000000, 0.0001991300000000 ] - [ -0.0004172200000000, 0.0000000000000000, 0.0001985900000000 ] - [ -0.0006427700000000, 0.0000000000000000, -0.0001256300000000 ] - [ -0.0094859500000000, 0.0000000000000000, -0.0001471500000000 ] - [ 0.0004440700000000, -0.0042987400000000, -0.0039696700000000 ] - [ 0.0008020600000000, -0.0047118600000000, 0.0036440500000000 ] - [ -0.0010670600000000, 0.0004558300000000, -0.0010435800000000 ] - [ -0.0006768500000000, 0.0007961300000000, 0.0007057500000000 ] - [ -0.0010670600000000, -0.0004558300000000, -0.0010435800000000 ] - [ -0.0006768500000000, -0.0007961300000000, 0.0007057500000000 ] - [ 0.0004440700000000, 0.0042987400000000, -0.0039696700000000 ] - [ 0.0008020600000000, 0.0047118600000000, 0.0036440500000000 ] - [ -0.1790339500000000, 0.0000000000000000, -0.0026133100000000 ] - [ -0.0058805200000000, 0.0000000000000000, -0.0000150900000000 ] - [ -0.0041989400000000, 0.0000000000000000, 0.0002094300000000 ] - [ -0.0016405700000000, 0.0000000000000000, 0.0002220600000000 ] - [ 0.0057076900000000, 0.0000000000000000, 0.0002678100000000 ] - [ -0.0031330800000000, 0.0000000000000000, 0.0002585400000000 ] - [ -0.0010070300000000, -0.0001528600000000, -0.0002629400000000 ] - [ -0.0010070300000000, 0.0001528600000000, -0.0002629400000000 ] - [ 0.0012844400000000, 0.0000000000000000, 0.0001277500000000 ] - [ 0.0009877000000000, 0.0000000000000000, -0.0006526800000000 ] - [ 0.0023098500000000, 0.0001215400000000, -0.0002732800000000 ] - [ 0.0023098500000000, -0.0001215400000000, -0.0002732800000000 ] - [ -0.0009204100000000, 0.0000000000000000, 0.0004839200000000 ] - [ -0.0011781700000000, 0.0000000000000000, -0.0010228400000000 ] - [ -0.0001392300000000, 0.0002161400000000, 0.0003439800000000 ] - [ -0.0001392300000000, -0.0002161400000000, 0.0003439800000000 ] - [ 0.0015361100000000, 0.0000000000000000, 0.0005174700000000 ] - [ 0.0019738400000000, 0.0000000000000000, 0.0001755800000000 ] - [ 0.0011120300000000, -0.0002462400000000, 0.0001077200000000 ] - [ 0.0011120300000000, 0.0002462400000000, 0.0001077200000000 ] - [ 0.0697894200000000, 0.0000000000000000, -0.0359061300000000 ] - [ 0.0730265700000000, 0.0000000000000000, 0.0384178500000000 ] - [ 0.0005087000000000, -0.0001511200000000, -0.0000416600000000 ] - [ 0.0005087000000000, 0.0001511200000000, -0.0000416600000000 ] - [ 0.0002408500000000, 0.0000000000000000, 0.0001763200000000 ] - [ -0.0000770500000000, 0.0000000000000000, -0.0002686100000000 ] - [ 0.0176716600000000, -0.0000434000000000, 0.0001169400000000 ] - [ 0.0176716600000000, 0.0000434000000000, 0.0001169400000000 ] - [ 0.0026713600000000, 0.0000000000000000, -0.0030039500000000 ] - [ 0.0023698600000000, 0.0000000000000000, 0.0029167000000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003707500000000, 0.0002126300000000, 0.0004062800000000 ] - [ 0.0008072600000000, -0.0001248200000000, -0.0001711800000000 ] - [ -0.0070959100000000, 0.0034482400000000, 0.0028017300000000 ] - [ -0.0073627400000000, 0.0029860000000000, -0.0025624300000000 ] - [ -0.0008072600000000, -0.0001248200000000, -0.0001711800000000 ] - [ -0.0003707500000000, 0.0002126300000000, 0.0004062800000000 ] - [ 0.0073627400000000, 0.0029860000000000, -0.0025624300000000 ] - [ 0.0070959100000000, 0.0034482400000000, 0.0028017300000000 ] - [ 0.0000000000000000, -0.0003023000000000, 0.0001977600000000 ] - [ 0.0000000000000000, -0.0002365100000000, 0.0001972000000000 ] - [ 0.0000000000000000, -0.0092332900000000, -0.0001435100000000 ] - [ 0.0000000000000000, -0.0005385300000000, -0.0001568100000000 ] - [ -0.0009969900000000, -0.0005308500000000, -0.0006952900000000 ] - [ -0.0006565300000000, -0.0009208900000000, 0.0003565400000000 ] - [ 0.0039042100000000, 0.0005137800000000, 0.0033617700000000 ] - [ 0.0043146900000000, 0.0008653700000000, -0.0037185600000000 ] - [ -0.0043146900000000, 0.0008653700000000, -0.0037185600000000 ] - [ -0.0039042100000000, 0.0005137800000000, 0.0033617700000000 ] - [ 0.0006565300000000, -0.0009208900000000, 0.0003565400000000 ] - [ 0.0009969900000000, -0.0005308500000000, -0.0006952900000000 ] - [ 0.0000000000000000, -0.1899574800000000, 0.0026268700000000 ] - [ 0.0000000000000000, -0.0058805000000000, -0.0000316000000000 ] - [ 0.0000000000000000, -0.0009515800000000, 0.0002231800000000 ] - [ 0.0000000000000000, -0.0017449800000000, 0.0002230200000000 ] - [ 0.0000000000000000, 0.0041489600000000, 0.0002526900000000 ] - [ 0.0000000000000000, 0.0007495300000000, 0.0002840300000000 ] - [ 0.0000000000000000, 0.0004407600000000, -0.0014379500000000 ] - [ 0.0000000000000000, 0.0007372700000000, 0.0009114500000000 ] - [ 0.0001505500000000, -0.0015580900000000, -0.0002748500000000 ] - [ -0.0001505500000000, -0.0015580900000000, -0.0002748500000000 ] - [ 0.0000000000000000, -0.0000895100000000, -0.0002746300000000 ] - [ 0.0000000000000000, -0.0003132700000000, -0.0002744900000000 ] - [ 0.0001406200000000, -0.0010713100000000, -0.0002506700000000 ] - [ -0.0001406200000000, -0.0010713100000000, -0.0002506700000000 ] - [ 0.0000000000000000, 0.0010324100000000, 0.0007164400000000 ] - [ 0.0000000000000000, 0.0005964000000000, -0.0000289300000000 ] - [ -0.0002126800000000, -0.0015374600000000, 0.0003469100000000 ] - [ 0.0002126800000000, -0.0015374600000000, 0.0003469100000000 ] - [ 0.0000000000000000, 0.0025004700000000, -0.0031528200000000 ] - [ 0.0000000000000000, 0.0029993200000000, 0.0034056300000000 ] - [ -0.0000679900000000, 0.0193993500000000, -0.0000296800000000 ] - [ 0.0000679900000000, 0.0193993500000000, -0.0000296800000000 ] - [ 0.0000000000000000, -0.0002522200000000, -0.0002071400000000 ] - [ 0.0000000000000000, 0.0000634400000000, 0.0001124300000000 ] - [ 0.0001589000000000, 0.0004270100000000, -0.0000466100000000 ] - [ -0.0001589000000000, 0.0004270100000000, -0.0000466100000000 ] - [ 0.0000000000000000, 0.0765923200000000, -0.0396868500000000 ] - [ 0.0000000000000000, 0.0734973400000000, 0.0372478300000000 ] - [ 0.0001482500000000, 0.0009620200000000, -0.0000258600000000 ] - [ -0.0001482500000000, 0.0009620200000000, -0.0000258600000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0004748900000000, 0.0001780200000000, 0.0011105500000000 ] - [ 0.0004748900000000, -0.0001780200000000, 0.0011105500000000 ] - [ 0.0035611200000000, 0.0030248900000000, -0.0057191100000000 ] - [ -0.0035611200000000, -0.0030248900000000, -0.0057191100000000 ] - [ -0.0004748900000000, -0.0001780200000000, 0.0011105500000000 ] - [ 0.0004748900000000, 0.0001780200000000, 0.0011105500000000 ] - [ 0.0035611200000000, -0.0030248900000000, -0.0057191100000000 ] - [ -0.0035611200000000, 0.0030248900000000, -0.0057191100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0000739500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013017300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0085823800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0097045000000000 ] - [ -0.0007407500000000, 0.0026971600000000, 0.0025348400000000 ] - [ 0.0007407500000000, -0.0026971600000000, 0.0025348400000000 ] - [ 0.0008885900000000, 0.0005054300000000, 0.0021924500000000 ] - [ -0.0008885900000000, -0.0005054300000000, 0.0021924500000000 ] - [ 0.0008885900000000, -0.0005054300000000, 0.0021924500000000 ] - [ -0.0008885900000000, 0.0005054300000000, 0.0021924500000000 ] - [ -0.0007407500000000, -0.0026971600000000, 0.0025348400000000 ] - [ 0.0007407500000000, 0.0026971600000000, 0.0025348400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1829110700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0037182100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0072457400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025303100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0049970200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040101100000000 ] - [ 0.0000000000000000, 0.0006595600000000, -0.0023523000000000 ] - [ 0.0000000000000000, -0.0006595600000000, -0.0023523000000000 ] - [ -0.0000066800000000, 0.0000000000000000, 0.0022089900000000 ] - [ 0.0000066800000000, 0.0000000000000000, 0.0022089900000000 ] - [ 0.0000000000000000, 0.0019537200000000, -0.0004744900000000 ] - [ 0.0000000000000000, -0.0019537200000000, -0.0004744900000000 ] - [ 0.0004109300000000, 0.0000000000000000, -0.0012320700000000 ] - [ -0.0004109300000000, 0.0000000000000000, -0.0012320700000000 ] - [ 0.0000000000000000, -0.0008965100000000, -0.0007231500000000 ] - [ 0.0000000000000000, 0.0008965100000000, -0.0007231500000000 ] - [ -0.0025642000000000, 0.0000000000000000, 0.0023284200000000 ] - [ 0.0025642000000000, 0.0000000000000000, 0.0023284200000000 ] - [ 0.0000000000000000, 0.0002814700000000, -0.0024608700000000 ] - [ 0.0000000000000000, -0.0002814700000000, -0.0024608700000000 ] - [ -0.0407091200000000, 0.0000000000000000, 0.0404879100000000 ] - [ 0.0407091200000000, 0.0000000000000000, 0.0404879100000000 ] - [ 0.0000000000000000, 0.0008906200000000, 0.0024360600000000 ] - [ 0.0000000000000000, -0.0008906200000000, 0.0024360600000000 ] - [ 0.0004577400000000, 0.0000000000000000, -0.0014089500000000 ] - [ -0.0004577400000000, 0.0000000000000000, -0.0014089500000000 ] - [ 0.0000000000000000, -0.0421405200000000, 0.0452536900000000 ] - [ 0.0000000000000000, 0.0421405200000000, 0.0452536900000000 ] - [ 0.0005768900000000, 0.0000000000000000, -0.0025973300000000 ] - [ -0.0005768900000000, 0.0000000000000000, -0.0025973300000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000394600000000, 0.0001581500000000, -0.0008740600000000 ] - [ -0.0000394600000000, -0.0001581500000000, -0.0008740600000000 ] - [ -0.0032094200000000, -0.0026105600000000, 0.0059555800000000 ] - [ 0.0032094200000000, 0.0026105600000000, 0.0059555800000000 ] - [ 0.0000394600000000, -0.0001581500000000, -0.0008740600000000 ] - [ -0.0000394600000000, 0.0001581500000000, -0.0008740600000000 ] - [ -0.0032094200000000, 0.0026105600000000, 0.0059555800000000 ] - [ 0.0032094200000000, -0.0026105600000000, 0.0059555800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004705800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009053400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0089800500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0098557100000000 ] - [ 0.0003918900000000, -0.0022988300000000, -0.0028733900000000 ] - [ -0.0003918900000000, 0.0022988300000000, -0.0028733900000000 ] - [ -0.0012885500000000, -0.0008493300000000, -0.0025330000000000 ] - [ 0.0012885500000000, 0.0008493300000000, -0.0025330000000000 ] - [ -0.0012885500000000, 0.0008493300000000, -0.0025330000000000 ] - [ 0.0012885500000000, -0.0008493300000000, -0.0025330000000000 ] - [ 0.0003918900000000, 0.0022988300000000, -0.0028733900000000 ] - [ -0.0003918900000000, -0.0022988300000000, -0.0028733900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1829723400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0037644800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0076729200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020845700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0044750500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045526000000000 ] - [ 0.0000000000000000, -0.0009582600000000, 0.0018223200000000 ] - [ 0.0000000000000000, 0.0009582600000000, 0.0018223200000000 ] - [ 0.0003085500000000, 0.0000000000000000, -0.0027527100000000 ] - [ -0.0003085500000000, 0.0000000000000000, -0.0027527100000000 ] - [ 0.0000000000000000, -0.0017211600000000, -0.0000710800000000 ] - [ 0.0000000000000000, 0.0017211600000000, -0.0000710800000000 ] - [ -0.0001728000000000, 0.0000000000000000, 0.0007033600000000 ] - [ 0.0001728000000000, 0.0000000000000000, 0.0007033600000000 ] - [ 0.0000000000000000, 0.0013318300000000, 0.0014112900000000 ] - [ 0.0000000000000000, -0.0013318300000000, 0.0014112900000000 ] - [ 0.0021314100000000, 0.0000000000000000, -0.0016347500000000 ] - [ -0.0021314100000000, 0.0000000000000000, -0.0016347500000000 ] - [ 0.0000000000000000, -0.0007761900000000, 0.0026948600000000 ] - [ 0.0000000000000000, 0.0007761900000000, 0.0026948600000000 ] - [ 0.0388371000000000, 0.0000000000000000, -0.0395955700000000 ] - [ -0.0388371000000000, 0.0000000000000000, -0.0395955700000000 ] - [ 0.0000000000000000, -0.0011939700000000, -0.0025210000000000 ] - [ 0.0000000000000000, 0.0011939700000000, -0.0025210000000000 ] - [ -0.0001403000000000, 0.0000000000000000, 0.0013162000000000 ] - [ 0.0001403000000000, 0.0000000000000000, 0.0013162000000000 ] - [ 0.0000000000000000, 0.0439226100000000, -0.0460518800000000 ] - [ 0.0000000000000000, -0.0439226100000000, -0.0460518800000000 ] - [ -0.0002795600000000, 0.0000000000000000, 0.0025270700000000 ] - [ 0.0002795600000000, 0.0000000000000000, 0.0025270700000000 ]- atom: 23 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001661500000000, 0.0008801700000000, -0.0002319200000000 ] - [ 0.0002598000000000, 0.0005443800000000, 0.0004680100000000 ] - [ 0.0003769200000000, -0.0045590400000000, 0.0047617500000000 ] - [ 0.0000420700000000, -0.0049605200000000, -0.0044981300000000 ] - [ -0.0001661500000000, -0.0008801700000000, -0.0002319200000000 ] - [ 0.0002598000000000, -0.0005443800000000, 0.0004680100000000 ] - [ 0.0003769200000000, 0.0045590400000000, 0.0047617500000000 ] - [ 0.0000420700000000, 0.0049605200000000, -0.0044981300000000 ] - [ -0.0004631100000000, 0.0000000000000000, 0.0001784600000000 ] - [ -0.0115458700000000, 0.0000000000000000, 0.0001839800000000 ] - [ 0.0003309200000000, 0.0000000000000000, -0.0001485500000000 ] - [ -0.0005237800000000, 0.0000000000000000, -0.0001465100000000 ] - [ -0.0003814900000000, -0.0002170000000000, -0.0005488000000000 ] - [ -0.0000480200000000, -0.0006178900000000, 0.0002026500000000 ] - [ 0.0019079600000000, 0.0064251100000000, -0.0022231300000000 ] - [ 0.0022800300000000, 0.0067298000000000, 0.0018656100000000 ] - [ 0.0019079600000000, -0.0064251100000000, -0.0022231300000000 ] - [ 0.0022800300000000, -0.0067298000000000, 0.0018656100000000 ] - [ -0.0003814900000000, 0.0002170000000000, -0.0005488000000000 ] - [ -0.0000480200000000, 0.0006178900000000, 0.0002026500000000 ] - [ -0.0041984900000000, 0.0000000000000000, 0.0000049300000000 ] - [ -0.0017450000000000, 0.0000000000000000, -0.0000138000000000 ] - [ -0.2242174100000000, 0.0000000000000000, 0.0034076900000000 ] - [ -0.0059604500000000, 0.0000000000000000, 0.0002081900000000 ] - [ -0.0014585500000000, 0.0000000000000000, 0.0003080200000000 ] - [ 0.0043474600000000, 0.0000000000000000, 0.0002783900000000 ] - [ 0.0030148400000000, -0.0001331600000000, -0.0002620800000000 ] - [ 0.0030148400000000, 0.0001331600000000, -0.0002620800000000 ] - [ -0.0008585800000000, 0.0000000000000000, -0.0008599200000000 ] - [ -0.0011467900000000, 0.0000000000000000, 0.0003162900000000 ] - [ -0.0006577800000000, 0.0001067400000000, -0.0002724600000000 ] - [ -0.0006577800000000, -0.0001067400000000, -0.0002724600000000 ] - [ 0.0009676300000000, 0.0000000000000000, -0.0001707700000000 ] - [ 0.0007548400000000, 0.0000000000000000, -0.0003882900000000 ] - [ 0.0011451000000000, 0.0002173700000000, 0.0003487600000000 ] - [ 0.0011451000000000, -0.0002173700000000, 0.0003487600000000 ] - [ 0.0893869400000000, 0.0000000000000000, -0.0454312600000000 ] - [ 0.0860293500000000, 0.0000000000000000, 0.0432623200000000 ] - [ -0.0008258800000000, -0.0002496000000000, 0.0001105500000000 ] - [ -0.0008258800000000, 0.0002496000000000, 0.0001105500000000 ] - [ 0.0013806400000000, 0.0000000000000000, 0.0005398200000000 ] - [ 0.0018702200000000, 0.0000000000000000, -0.0003294400000000 ] - [ 0.0250262500000000, -0.0003915100000000, -0.0002107800000000 ] - [ 0.0250262500000000, 0.0003915100000000, -0.0002107800000000 ] - [ 0.0028428700000000, 0.0000000000000000, -0.0016034900000000 ] - [ 0.0025325200000000, 0.0000000000000000, 0.0015437200000000 ] - [ -0.0012874300000000, 0.0001646400000000, -0.0000456700000000 ] - [ -0.0012874300000000, -0.0001646400000000, -0.0000456700000000 ] - [ 0.0003032400000000, 0.0000000000000000, 0.0001658200000000 ] - [ -0.0000010200000000, 0.0000000000000000, -0.0002343500000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001702000000000, 0.0001097900000000, 0.0004536500000000 ] - [ 0.0006053000000000, -0.0002215300000000, -0.0002120500000000 ] - [ -0.0070267000000000, 0.0014436100000000, -0.0000283700000000 ] - [ -0.0074120500000000, 0.0010114400000000, 0.0002613800000000 ] - [ -0.0006053000000000, -0.0002215300000000, -0.0002120500000000 ] - [ -0.0001702000000000, 0.0001097900000000, 0.0004536500000000 ] - [ 0.0074120500000000, 0.0010114400000000, 0.0002613800000000 ] - [ 0.0070267000000000, 0.0014436100000000, -0.0000283700000000 ] - [ 0.0000000000000000, -0.0110767200000000, 0.0002366000000000 ] - [ 0.0000000000000000, -0.0005523500000000, 0.0002201900000000 ] - [ 0.0000000000000000, -0.0003152900000000, -0.0001437000000000 ] - [ 0.0000000000000000, -0.0003542300000000, -0.0001423700000000 ] - [ -0.0016294800000000, 0.0004727100000000, -0.0012919300000000 ] - [ -0.0012910900000000, 0.0000735900000000, 0.0009499700000000 ] - [ 0.0014815500000000, -0.0014248300000000, -0.0014486900000000 ] - [ 0.0018712600000000, -0.0010700700000000, 0.0010967300000000 ] - [ -0.0018712600000000, -0.0010700700000000, 0.0010967300000000 ] - [ -0.0014815500000000, -0.0014248300000000, -0.0014486900000000 ] - [ 0.0012910900000000, 0.0000735900000000, 0.0009499700000000 ] - [ 0.0016294800000000, 0.0004727100000000, -0.0012919300000000 ] - [ 0.0000000000000000, -0.0009509000000000, -0.0000243200000000 ] - [ 0.0000000000000000, -0.0016400100000000, -0.0000147200000000 ] - [ 0.0000000000000000, -0.2427731600000000, -0.0032542000000000 ] - [ 0.0000000000000000, -0.0059601300000000, 0.0002408300000000 ] - [ 0.0000000000000000, 0.0007698400000000, 0.0002505500000000 ] - [ 0.0000000000000000, 0.0054865700000000, 0.0003029300000000 ] - [ 0.0000000000000000, -0.0001908300000000, -0.0001391500000000 ] - [ 0.0000000000000000, 0.0001183400000000, -0.0003831100000000 ] - [ 0.0001099200000000, -0.0013417300000000, -0.0002918600000000 ] - [ -0.0001099200000000, -0.0013417300000000, -0.0002918600000000 ] - [ 0.0000000000000000, 0.0006750500000000, 0.0011606000000000 ] - [ 0.0000000000000000, 0.0004518300000000, -0.0017153500000000 ] - [ 0.0001107600000000, -0.0020793300000000, -0.0002590000000000 ] - [ -0.0001107600000000, -0.0020793300000000, -0.0002590000000000 ] - [ 0.0000000000000000, 0.0028241500000000, 0.0023980800000000 ] - [ 0.0000000000000000, 0.0023914100000000, -0.0017415000000000 ] - [ -0.0004158700000000, 0.0247465000000000, 0.0004931600000000 ] - [ 0.0004158700000000, 0.0247465000000000, 0.0004931600000000 ] - [ 0.0000000000000000, 0.0006817400000000, -0.0003918700000000 ] - [ 0.0000000000000000, 0.0011693800000000, 0.0006115400000000 ] - [ -0.0002497900000000, -0.0020482900000000, 0.0001104000000000 ] - [ 0.0002497900000000, -0.0020482900000000, 0.0001104000000000 ] - [ 0.0000000000000000, 0.1049410600000000, 0.0518341400000000 ] - [ 0.0000000000000000, 0.1011859600000000, -0.0487369400000000 ] - [ 0.0001639400000000, 0.0011364100000000, -0.0000544300000000 ] - [ -0.0001639400000000, 0.0011364100000000, -0.0000544300000000 ] - [ 0.0000000000000000, 0.0005201600000000, -0.0009164200000000 ] - [ 0.0000000000000000, 0.0002232200000000, 0.0008609900000000 ] - [ 0.0001509500000000, 0.0003791700000000, -0.0000353800000000 ] - [ -0.0001509500000000, 0.0003791700000000, -0.0000353800000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0004347700000000, 0.0002483700000000, 0.0010562600000000 ] - [ 0.0004347700000000, -0.0002483700000000, 0.0010562600000000 ] - [ 0.0054285000000000, 0.0008564800000000, -0.0027457800000000 ] - [ -0.0054285000000000, -0.0008564800000000, -0.0027457800000000 ] - [ -0.0004347700000000, -0.0002483700000000, 0.0010562600000000 ] - [ 0.0004347700000000, 0.0002483700000000, 0.0010562600000000 ] - [ 0.0054285000000000, -0.0008564800000000, -0.0027457800000000 ] - [ -0.0054285000000000, 0.0008564800000000, -0.0027457800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0094149200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0105537000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000299500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007144700000000 ] - [ -0.0001567800000000, -0.0003871700000000, 0.0009026800000000 ] - [ 0.0001567800000000, 0.0003871700000000, 0.0009026800000000 ] - [ -0.0009080800000000, -0.0045882200000000, 0.0012855100000000 ] - [ 0.0009080800000000, 0.0045882200000000, 0.0012855100000000 ] - [ -0.0009080800000000, 0.0045882200000000, 0.0012855100000000 ] - [ 0.0009080800000000, -0.0045882200000000, 0.0012855100000000 ] - [ -0.0001567800000000, 0.0003871700000000, 0.0009026800000000 ] - [ 0.0001567800000000, -0.0003871700000000, 0.0009026800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0074669200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022963700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2245586900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0032236900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0057439700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0043841000000000 ] - [ 0.0000000000000000, -0.0022514700000000, -0.0001346800000000 ] - [ 0.0000000000000000, 0.0022514700000000, -0.0001346800000000 ] - [ -0.0002732600000000, 0.0000000000000000, -0.0009174200000000 ] - [ 0.0002732600000000, 0.0000000000000000, -0.0009174200000000 ] - [ 0.0000000000000000, -0.0007636000000000, -0.0019585100000000 ] - [ 0.0000000000000000, 0.0007636000000000, -0.0019585100000000 ] - [ -0.0000746100000000, 0.0000000000000000, 0.0023081800000000 ] - [ 0.0000746100000000, 0.0000000000000000, 0.0023081800000000 ] - [ 0.0000000000000000, -0.0002899100000000, -0.0016361700000000 ] - [ 0.0000000000000000, 0.0002899100000000, -0.0016361700000000 ] - [ -0.0464284800000000, 0.0000000000000000, 0.0487041200000000 ] - [ 0.0464284800000000, 0.0000000000000000, 0.0487041200000000 ] - [ 0.0000000000000000, 0.0007643700000000, -0.0011794200000000 ] - [ 0.0000000000000000, -0.0007643700000000, -0.0011794200000000 ] - [ -0.0023173200000000, 0.0000000000000000, 0.0018242300000000 ] - [ 0.0023173200000000, 0.0000000000000000, 0.0018242300000000 ] - [ 0.0000000000000000, 0.0561821700000000, 0.0550029200000000 ] - [ 0.0000000000000000, -0.0561821700000000, 0.0550029200000000 ] - [ 0.0006410000000000, 0.0000000000000000, -0.0017712700000000 ] - [ -0.0006410000000000, 0.0000000000000000, -0.0017712700000000 ] - [ 0.0000000000000000, -0.0023077400000000, 0.0038646400000000 ] - [ 0.0000000000000000, 0.0023077400000000, 0.0038646400000000 ] - [ 0.0003122200000000, 0.0000000000000000, -0.0015277900000000 ] - [ -0.0003122200000000, 0.0000000000000000, -0.0015277900000000 ]- atom: 23 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000061800000000, 0.0000905000000000, -0.0008165100000000 ] - [ -0.0000061800000000, -0.0000905000000000, -0.0008165100000000 ] - [ -0.0050779400000000, -0.0004323400000000, 0.0029894500000000 ] - [ 0.0050779400000000, 0.0004323400000000, 0.0029894500000000 ] - [ 0.0000061800000000, -0.0000905000000000, -0.0008165100000000 ] - [ -0.0000061800000000, 0.0000905000000000, -0.0008165100000000 ] - [ -0.0050779400000000, 0.0004323400000000, 0.0029894500000000 ] - [ 0.0050779400000000, -0.0004323400000000, 0.0029894500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0089273900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0102607000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0003225600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010036800000000 ] - [ -0.0001759500000000, 0.0007871800000000, -0.0012455800000000 ] - [ 0.0001759500000000, -0.0007871800000000, -0.0012455800000000 ] - [ 0.0005225400000000, 0.0042477700000000, -0.0016345500000000 ] - [ -0.0005225400000000, -0.0042477700000000, -0.0016345500000000 ] - [ 0.0005225400000000, -0.0042477700000000, -0.0016345500000000 ] - [ -0.0005225400000000, 0.0042477700000000, -0.0016345500000000 ] - [ -0.0001759500000000, -0.0007871800000000, -0.0012455800000000 ] - [ 0.0001759500000000, 0.0007871800000000, -0.0012455800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0074459700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023241100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.2248917800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027712600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0062856500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038108300000000 ] - [ 0.0000000000000000, 0.0019579400000000, -0.0003979000000000 ] - [ 0.0000000000000000, -0.0019579400000000, -0.0003979000000000 ] - [ 0.0005520800000000, 0.0000000000000000, 0.0003654300000000 ] - [ -0.0005520800000000, 0.0000000000000000, 0.0003654300000000 ] - [ 0.0000000000000000, 0.0009873100000000, 0.0014114400000000 ] - [ 0.0000000000000000, -0.0009873100000000, 0.0014114400000000 ] - [ 0.0002920500000000, 0.0000000000000000, -0.0028343300000000 ] - [ -0.0002920500000000, 0.0000000000000000, -0.0028343300000000 ] - [ 0.0000000000000000, 0.0007225800000000, 0.0023119600000000 ] - [ 0.0000000000000000, -0.0007225800000000, 0.0023119600000000 ] - [ 0.0476585300000000, 0.0000000000000000, -0.0487740200000000 ] - [ -0.0476585300000000, 0.0000000000000000, -0.0487740200000000 ] - [ 0.0000000000000000, -0.0012540400000000, 0.0013999200000000 ] - [ 0.0000000000000000, 0.0012540400000000, 0.0013999200000000 ] - [ 0.0018238300000000, 0.0000000000000000, -0.0016038200000000 ] - [ -0.0018238300000000, 0.0000000000000000, -0.0016038200000000 ] - [ 0.0000000000000000, -0.0546220600000000, -0.0542703000000000 ] - [ 0.0000000000000000, 0.0546220600000000, -0.0542703000000000 ] - [ -0.0003216900000000, 0.0000000000000000, 0.0016853600000000 ] - [ 0.0003216900000000, 0.0000000000000000, 0.0016853600000000 ] - [ 0.0000000000000000, 0.0026249500000000, -0.0039377700000000 ] - [ 0.0000000000000000, -0.0026249500000000, -0.0039377700000000 ] - [ -0.0000070500000000, 0.0000000000000000, 0.0014570000000000 ] - [ 0.0000070500000000, 0.0000000000000000, 0.0014570000000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0011241100000000, -0.0015275100000000, 0.0002018300000000 ] - [ -0.0006714800000000, -0.0018587500000000, 0.0000296200000000 ] - [ 0.0010849600000000, 0.0024521100000000, 0.0022770300000000 ] - [ 0.0007409100000000, 0.0020151600000000, -0.0020322600000000 ] - [ -0.0011241100000000, 0.0015275100000000, 0.0002018300000000 ] - [ -0.0006714800000000, 0.0018587500000000, 0.0000296200000000 ] - [ 0.0010849600000000, -0.0024521100000000, 0.0022770300000000 ] - [ 0.0007409100000000, -0.0020151600000000, -0.0020322600000000 ] - [ 0.0001468900000000, 0.0000000000000000, 0.0002063100000000 ] - [ 0.0018007200000000, 0.0000000000000000, 0.0001882900000000 ] - [ 0.0095112600000000, 0.0000000000000000, -0.0001339300000000 ] - [ 0.0008866300000000, 0.0000000000000000, -0.0001410500000000 ] - [ -0.0002637800000000, 0.0005581700000000, 0.0001389300000000 ] - [ 0.0000667400000000, 0.0001524100000000, -0.0004727500000000 ] - [ 0.0027389300000000, -0.0071105100000000, -0.0024683700000000 ] - [ 0.0031328500000000, -0.0067197300000000, 0.0021155900000000 ] - [ 0.0027389300000000, 0.0071105100000000, -0.0024683700000000 ] - [ 0.0031328500000000, 0.0067197300000000, 0.0021155900000000 ] - [ -0.0002637800000000, -0.0005581700000000, 0.0001389300000000 ] - [ 0.0000667400000000, -0.0001524100000000, -0.0004727500000000 ] - [ 0.0057076100000000, 0.0000000000000000, -0.0000277600000000 ] - [ 0.0007497700000000, 0.0000000000000000, -0.0000346600000000 ] - [ -0.0014583600000000, 0.0000000000000000, 0.0001970800000000 ] - [ 0.0054865100000000, 0.0000000000000000, 0.0002344500000000 ] - [ -0.2439229500000000, 0.0000000000000000, -0.0032500800000000 ] - [ 0.0001003200000000, 0.0000000000000000, 0.0002826100000000 ] - [ 0.0219293300000000, -0.0003287900000000, -0.0001088900000000 ] - [ 0.0219293300000000, 0.0003287900000000, -0.0001088900000000 ] - [ 0.0002010300000000, 0.0000000000000000, -0.0002328100000000 ] - [ -0.0000917800000000, 0.0000000000000000, -0.0003122700000000 ] - [ 0.0000499700000000, 0.0001123200000000, -0.0002750000000000 ] - [ 0.0000499700000000, -0.0001123200000000, -0.0002750000000000 ] - [ 0.0941136600000000, 0.0000000000000000, 0.0581640400000000 ] - [ 0.0900210700000000, 0.0000000000000000, -0.0554398200000000 ] - [ -0.0009159800000000, 0.0002144100000000, 0.0003346200000000 ] - [ -0.0009159800000000, -0.0002144100000000, 0.0003346200000000 ] - [ 0.0007974200000000, 0.0000000000000000, 0.0004121900000000 ] - [ 0.0012199400000000, 0.0000000000000000, 0.0002882700000000 ] - [ -0.0035735500000000, -0.0002440200000000, 0.0001245100000000 ] - [ -0.0035735500000000, 0.0002440200000000, 0.0001245100000000 ] - [ -0.0022079800000000, 0.0000000000000000, -0.0016866800000000 ] - [ -0.0017097300000000, 0.0000000000000000, 0.0018996800000000 ] - [ 0.0018138300000000, -0.0001434500000000, -0.0000488500000000 ] - [ 0.0018138300000000, 0.0001434500000000, -0.0000488500000000 ] - [ -0.0000510800000000, 0.0000000000000000, 0.0027579000000000 ] - [ -0.0003502300000000, 0.0000000000000000, -0.0028607200000000 ] - [ -0.0053153600000000, 0.0001591500000000, -0.0000415500000000 ] - [ -0.0053153600000000, -0.0001591500000000, -0.0000415500000000 ] - [ -0.0000213500000000, 0.0000000000000000, 0.0001594800000000 ] - [ -0.0003158500000000, 0.0000000000000000, -0.0002194200000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0058457900000000, 0.0012896400000000, 0.0043475200000000 ] - [ -0.0054484600000000, 0.0009783200000000, -0.0041336900000000 ] - [ 0.0004972800000000, -0.0002474700000000, -0.0007800500000000 ] - [ 0.0001545300000000, -0.0006664100000000, 0.0010165700000000 ] - [ 0.0054484600000000, 0.0009783200000000, -0.0041336900000000 ] - [ 0.0058457900000000, 0.0012896400000000, 0.0043475200000000 ] - [ -0.0001545300000000, -0.0006664100000000, 0.0010165700000000 ] - [ -0.0004972800000000, -0.0002474700000000, -0.0007800500000000 ] - [ 0.0000000000000000, 0.0007231500000000, 0.0001969100000000 ] - [ 0.0000000000000000, 0.0093548800000000, 0.0001753600000000 ] - [ 0.0000000000000000, 0.0010414600000000, -0.0001360000000000 ] - [ 0.0000000000000000, 0.0001160800000000, -0.0001517400000000 ] - [ 0.0001217300000000, 0.0001099800000000, -0.0002185200000000 ] - [ 0.0004489100000000, -0.0002940000000000, -0.0001260000000000 ] - [ -0.0069502800000000, 0.0007480100000000, -0.0050163900000000 ] - [ -0.0066016200000000, 0.0010684800000000, 0.0046969900000000 ] - [ 0.0066016200000000, 0.0010684800000000, 0.0046969900000000 ] - [ 0.0069502800000000, 0.0007480100000000, -0.0050163900000000 ] - [ -0.0004489100000000, -0.0002940000000000, -0.0001260000000000 ] - [ -0.0001217300000000, 0.0001099800000000, -0.0002185200000000 ] - [ 0.0000000000000000, 0.0041494600000000, -0.0000305900000000 ] - [ 0.0000000000000000, -0.0031328100000000, -0.0000004800000000 ] - [ 0.0000000000000000, 0.0007696000000000, 0.0002417900000000 ] - [ 0.0000000000000000, 0.0043470600000000, 0.0002376300000000 ] - [ 0.0000000000000000, -0.2232753800000000, 0.0035079000000000 ] - [ 0.0000000000000000, 0.0001002800000000, 0.0002774800000000 ] - [ 0.0000000000000000, 0.0856399000000000, -0.0477892500000000 ] - [ 0.0000000000000000, 0.0823672600000000, 0.0444129700000000 ] - [ 0.0001463600000000, 0.0000662100000000, -0.0002686600000000 ] - [ -0.0001463600000000, 0.0000662100000000, -0.0002686600000000 ] - [ 0.0000000000000000, 0.0001590500000000, -0.0001232500000000 ] - [ 0.0000000000000000, -0.0000634200000000, -0.0004214200000000 ] - [ -0.0001103800000000, 0.0218437400000000, -0.0004538800000000 ] - [ 0.0001103800000000, 0.0218437400000000, -0.0004538800000000 ] - [ 0.0000000000000000, -0.0017050200000000, 0.0014814100000000 ] - [ 0.0000000000000000, -0.0021316400000000, -0.0007915300000000 ] - [ -0.0002197800000000, -0.0031464700000000, 0.0003266700000000 ] - [ 0.0002197800000000, -0.0031464700000000, 0.0003266700000000 ] - [ 0.0000000000000000, 0.0012507700000000, -0.0001682200000000 ] - [ 0.0000000000000000, 0.0017516100000000, 0.0003744400000000 ] - [ -0.0002478600000000, -0.0007701500000000, 0.0001193100000000 ] - [ 0.0002478600000000, -0.0007701500000000, 0.0001193100000000 ] - [ 0.0000000000000000, -0.0002342200000000, -0.0002097700000000 ] - [ 0.0000000000000000, 0.0000863600000000, 0.0001048800000000 ] - [ 0.0001448000000000, -0.0044435400000000, -0.0000482800000000 ] - [ -0.0001448000000000, -0.0044435400000000, -0.0000482800000000 ] - [ 0.0000000000000000, 0.0010353100000000, 0.0021987200000000 ] - [ 0.0000000000000000, 0.0007154600000000, -0.0022573200000000 ] - [ 0.0001617000000000, 0.0019310500000000, -0.0000265500000000 ] - [ -0.0001617000000000, 0.0019310500000000, -0.0000265500000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0033681500000000, 0.0007314000000000, 0.0022839700000000 ] - [ 0.0033681500000000, -0.0007314000000000, 0.0022839700000000 ] - [ -0.0000071900000000, 0.0015784400000000, 0.0012400700000000 ] - [ 0.0000071900000000, -0.0015784400000000, 0.0012400700000000 ] - [ -0.0033681500000000, -0.0007314000000000, 0.0022839700000000 ] - [ 0.0033681500000000, 0.0007314000000000, 0.0022839700000000 ] - [ -0.0000071900000000, -0.0015784400000000, 0.0012400700000000 ] - [ 0.0000071900000000, 0.0015784400000000, 0.0012400700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019274300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016048600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0028056600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0014643200000000 ] - [ -0.0005892700000000, 0.0004988100000000, 0.0009759300000000 ] - [ 0.0005892700000000, -0.0004988100000000, 0.0009759300000000 ] - [ -0.0030812400000000, -0.0047285300000000, -0.0052911700000000 ] - [ 0.0030812400000000, 0.0047285300000000, -0.0052911700000000 ] - [ -0.0030812400000000, 0.0047285300000000, -0.0052911700000000 ] - [ 0.0030812400000000, -0.0047285300000000, -0.0052911700000000 ] - [ -0.0005892700000000, -0.0004988100000000, 0.0009759300000000 ] - [ 0.0005892700000000, 0.0004988100000000, 0.0009759300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047021200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0043082100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0057899100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0043406900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2279996000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0023560800000000 ] - [ 0.0000000000000000, -0.0455191100000000, 0.0539518700000000 ] - [ 0.0000000000000000, 0.0455191100000000, 0.0539518700000000 ] - [ 0.0001948500000000, 0.0000000000000000, -0.0014280100000000 ] - [ -0.0001948500000000, 0.0000000000000000, -0.0014280100000000 ] - [ 0.0000000000000000, 0.0001399100000000, -0.0013192400000000 ] - [ 0.0000000000000000, -0.0001399100000000, -0.0013192400000000 ] - [ 0.0561043600000000, 0.0000000000000000, 0.0658670200000000 ] - [ -0.0561043600000000, 0.0000000000000000, 0.0658670200000000 ] - [ 0.0000000000000000, -0.0005366300000000, -0.0015545900000000 ] - [ 0.0000000000000000, 0.0005366300000000, -0.0015545900000000 ] - [ 0.0010550200000000, 0.0000000000000000, 0.0045970800000000 ] - [ -0.0010550200000000, 0.0000000000000000, 0.0045970800000000 ] - [ 0.0000000000000000, 0.0010084800000000, 0.0038541100000000 ] - [ 0.0000000000000000, -0.0010084800000000, 0.0038541100000000 ] - [ 0.0005089800000000, 0.0000000000000000, -0.0019228600000000 ] - [ -0.0005089800000000, 0.0000000000000000, -0.0019228600000000 ] - [ 0.0000000000000000, 0.0011939000000000, 0.0005281400000000 ] - [ 0.0000000000000000, -0.0011939000000000, 0.0005281400000000 ] - [ -0.0001343400000000, 0.0000000000000000, -0.0030899000000000 ] - [ 0.0001343400000000, 0.0000000000000000, -0.0030899000000000 ] - [ 0.0000000000000000, -0.0012990700000000, -0.0034309500000000 ] - [ 0.0000000000000000, 0.0012990700000000, -0.0034309500000000 ] - [ -0.0015378200000000, 0.0000000000000000, -0.0006114700000000 ] - [ 0.0015378200000000, 0.0000000000000000, -0.0006114700000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0029273600000000, -0.0004142900000000, -0.0020519200000000 ] - [ -0.0029273600000000, 0.0004142900000000, -0.0020519200000000 ] - [ 0.0003479200000000, -0.0011425800000000, -0.0010021700000000 ] - [ -0.0003479200000000, 0.0011425800000000, -0.0010021700000000 ] - [ 0.0029273600000000, 0.0004142900000000, -0.0020519200000000 ] - [ -0.0029273600000000, -0.0004142900000000, -0.0020519200000000 ] - [ 0.0003479200000000, 0.0011425800000000, -0.0010021700000000 ] - [ -0.0003479200000000, -0.0011425800000000, -0.0010021700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015259400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019573900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0025433400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0017470800000000 ] - [ 0.0002552100000000, -0.0000911100000000, -0.0013150100000000 ] - [ -0.0002552100000000, 0.0000911100000000, -0.0013150100000000 ] - [ 0.0026745700000000, 0.0043878000000000, 0.0049475200000000 ] - [ -0.0026745700000000, -0.0043878000000000, 0.0049475200000000 ] - [ 0.0026745700000000, -0.0043878000000000, 0.0049475200000000 ] - [ -0.0026745700000000, 0.0043878000000000, 0.0049475200000000 ] - [ 0.0002552100000000, 0.0000911100000000, -0.0013150100000000 ] - [ -0.0002552100000000, -0.0000911100000000, -0.0013150100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0047699600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0042542000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0062456900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0038487600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.2283322800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0018073900000000 ] - [ 0.0000000000000000, 0.0469872300000000, -0.0552826400000000 ] - [ 0.0000000000000000, -0.0469872300000000, -0.0552826400000000 ] - [ 0.0000995500000000, 0.0000000000000000, 0.0008917000000000 ] - [ -0.0000995500000000, 0.0000000000000000, 0.0008917000000000 ] - [ 0.0000000000000000, 0.0000903000000000, 0.0007734800000000 ] - [ 0.0000000000000000, -0.0000903000000000, 0.0007734800000000 ] - [ -0.0538497100000000, 0.0000000000000000, -0.0654678800000000 ] - [ 0.0538497100000000, 0.0000000000000000, -0.0654678800000000 ] - [ 0.0000000000000000, 0.0009638700000000, 0.0022331300000000 ] - [ 0.0000000000000000, -0.0009638700000000, 0.0022331300000000 ] - [ -0.0014937300000000, 0.0000000000000000, -0.0039228400000000 ] - [ 0.0014937300000000, 0.0000000000000000, -0.0039228400000000 ] - [ 0.0000000000000000, -0.0014974000000000, -0.0036114500000000 ] - [ 0.0000000000000000, 0.0014974000000000, -0.0036114500000000 ] - [ -0.0010093900000000, 0.0000000000000000, 0.0021457500000000 ] - [ 0.0010093900000000, 0.0000000000000000, 0.0021457500000000 ] - [ 0.0000000000000000, -0.0015116300000000, -0.0006303200000000 ] - [ 0.0000000000000000, 0.0015116300000000, -0.0006303200000000 ] - [ 0.0004340400000000, 0.0000000000000000, 0.0029712600000000 ] - [ -0.0004340400000000, 0.0000000000000000, 0.0029712600000000 ] - [ 0.0000000000000000, 0.0016173100000000, 0.0033719900000000 ] - [ 0.0000000000000000, -0.0016173100000000, 0.0033719900000000 ] - [ 0.0018397600000000, 0.0000000000000000, 0.0005541000000000 ] - [ -0.0018397600000000, 0.0000000000000000, 0.0005541000000000 ]- atom: 27 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001742200000000, 0.0007296600000000, 0.0001167200000000 ] - [ 0.0075355600000000, 0.0010443500000000, 0.0032378500000000 ] - [ 0.0000445400000000, -0.0000010200000000, -0.0002423300000000 ] - [ -0.0004385700000000, -0.0006496900000000, 0.0008818700000000 ] - [ 0.0073692200000000, -0.0013544800000000, -0.0032449900000000 ] - [ 0.0002518700000000, -0.0003896800000000, 0.0001134200000000 ] - [ -0.0001053300000000, 0.0002149600000000, -0.0006397600000000 ] - [ -0.0002978600000000, 0.0004318500000000, 0.0004799400000000 ] - [ -0.0000575700000000, -0.0000017100000000, 0.0002006600000000 ] - [ -0.0003192900000000, -0.0000438000000000, 0.0001810300000000 ] - [ -0.0014491900000000, 0.0000045900000000, -0.0001495900000000 ] - [ -0.0005204500000000, 0.0000001800000000, -0.0001439600000000 ] - [ -0.0001237100000000, 0.0000329700000000, -0.0000937700000000 ] - [ 0.0002458800000000, -0.0003858700000000, -0.0002194100000000 ] - [ -0.0005342200000000, 0.0005640400000000, 0.0006431100000000 ] - [ -0.0021539300000000, 0.0015601600000000, 0.0019870800000000 ] - [ -0.0024752400000000, -0.0012267200000000, -0.0022915300000000 ] - [ -0.0001322300000000, -0.0009000000000000, -0.0009862500000000 ] - [ -0.0000744900000000, -0.0000101700000000, -0.0001249200000000 ] - [ 0.0002043400000000, 0.0003715900000000, -0.0002405600000000 ] - [ -0.0010069700000000, 0.0000075800000000, -0.0000146900000000 ] - [ -0.0015581800000000, 0.0000158400000000, -0.0000104300000000 ] - [ 0.0030146300000000, 0.0000033800000000, 0.0002210600000000 ] - [ -0.0013418000000000, -0.0000181500000000, 0.0002182500000000 ] - [ 0.0219291700000000, 0.0001309200000000, 0.0001209700000000 ] - [ 0.0000660300000000, -0.0000018900000000, 0.0002804600000000 ] - [ -0.0375467000000000, -0.0002420100000000, 0.0000329300000000 ] - [ -0.0037054600000000, 0.0001645600000000, -0.0002728700000000 ] - [ 0.0001963200000000, -0.0000332700000000, -0.0001979100000000 ] - [ -0.0000968700000000, 0.0000355000000000, -0.0003427300000000 ] - [ -0.0001541000000000, 0.0001116800000000, -0.0002724400000000 ] - [ -0.0000067800000000, -0.0001110400000000, -0.0002738200000000 ] - [ 0.0024695200000000, -0.0085370800000000, 0.0091972000000000 ] - [ 0.0022509900000000, 0.0085247500000000, -0.0096731800000000 ] - [ -0.0000274200000000, 0.0002212500000000, 0.0003366700000000 ] - [ 0.0001206100000000, -0.0002166900000000, 0.0003493500000000 ] - [ -0.0006557100000000, 0.0016673100000000, 0.0020755900000000 ] - [ -0.0002227100000000, -0.0016597000000000, -0.0013848200000000 ] - [ 0.0006667600000000, -0.0002533100000000, 0.0001154900000000 ] - [ 0.0049808000000000, 0.0002404700000000, 0.0001101200000000 ] - [ 0.0001942000000000, 0.0000502300000000, 0.0003286900000000 ] - [ 0.0006912500000000, -0.0000530900000000, -0.0001076500000000 ] - [ -0.0012291400000000, -0.0001550200000000, -0.0000435400000000 ] - [ -0.0004035800000000, 0.0001555300000000, -0.0000459500000000 ] - [ -0.0006107900000000, 0.0006128700000000, -0.0004514300000000 ] - [ -0.0009128800000000, -0.0006451800000000, 0.0003854000000000 ] - [ 0.0009284000000000, 0.0001481800000000, -0.0000303500000000 ] - [ 0.0022275200000000, -0.0001491700000000, -0.0000397400000000 ] - [ 0.0016263000000000, 0.0005333700000000, 0.0006916700000000 ] - [ 0.0013214800000000, -0.0005390100000000, -0.0007669300000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006281500000000, -0.0005383400000000, -0.0010757100000000 ] - [ 0.0025983200000000, 0.0010257700000000, 0.0011174900000000 ] - [ 0.0000902500000000, 0.0006650800000000, 0.0003369900000000 ] - [ 0.0000074600000000, -0.0009602900000000, 0.0003538000000000 ] - [ -0.0025983200000000, 0.0010257700000000, 0.0011174900000000 ] - [ -0.0006281500000000, -0.0005383400000000, -0.0010757100000000 ] - [ -0.0000074600000000, -0.0009602900000000, 0.0003538000000000 ] - [ -0.0000902500000000, 0.0006650800000000, 0.0003369900000000 ] - [ 0.0000000000000000, -0.0002364500000000, 0.0005964900000000 ] - [ 0.0000000000000000, -0.0003596900000000, 0.0024311800000000 ] - [ 0.0000000000000000, 0.0002924100000000, -0.0005467000000000 ] - [ 0.0000000000000000, -0.0000299900000000, -0.0000247900000000 ] - [ -0.0005093100000000, 0.0004865800000000, 0.0000441600000000 ] - [ 0.0003337300000000, -0.0004532700000000, 0.0000343900000000 ] - [ 0.0007716400000000, -0.0012522300000000, 0.0002216900000000 ] - [ 0.0018670300000000, 0.0020344600000000, -0.0018975700000000 ] - [ -0.0018670300000000, 0.0020344600000000, -0.0018975700000000 ] - [ -0.0007716400000000, -0.0012522300000000, 0.0002216900000000 ] - [ -0.0003337300000000, -0.0004532700000000, 0.0000343900000000 ] - [ 0.0005093100000000, 0.0004865800000000, 0.0000441600000000 ] - [ 0.0000000000000000, 0.0005869900000000, 0.0007830500000000 ] - [ 0.0000000000000000, 0.0011270800000000, 0.0001454600000000 ] - [ 0.0000000000000000, -0.0000354700000000, -0.0018862900000000 ] - [ 0.0000000000000000, -0.0010001800000000, 0.0006358000000000 ] - [ 0.0000000000000000, 0.0822884800000000, -0.0445020200000000 ] - [ 0.0000000000000000, 0.0000550200000000, 0.0002271400000000 ] - [ 0.0000000000000000, -0.1208754900000000, 0.0583983900000000 ] - [ 0.0000000000000000, 0.0171539000000000, -0.0030619300000000 ] - [ 0.0003227500000000, 0.0000498700000000, -0.0003754200000000 ] - [ -0.0003227500000000, 0.0000498700000000, -0.0003754200000000 ] - [ 0.0000000000000000, 0.0002040700000000, -0.0004181500000000 ] - [ 0.0000000000000000, -0.0001942100000000, -0.0002797900000000 ] - [ -0.0029978100000000, 0.0018037000000000, -0.0052890700000000 ] - [ 0.0029978100000000, 0.0018037000000000, -0.0052890700000000 ] - [ 0.0000000000000000, 0.0009169500000000, -0.0010403200000000 ] - [ 0.0000000000000000, 0.0006096400000000, -0.0000105700000000 ] - [ 0.0007554500000000, 0.0027801400000000, 0.0024364100000000 ] - [ -0.0007554500000000, 0.0027801400000000, 0.0024364100000000 ] - [ 0.0000000000000000, -0.0004279800000000, 0.0007023100000000 ] - [ 0.0000000000000000, -0.0007205000000000, 0.0002094800000000 ] - [ -0.0001941400000000, -0.0001027900000000, -0.0004815600000000 ] - [ 0.0001941400000000, -0.0001027900000000, -0.0004815600000000 ] - [ 0.0000000000000000, 0.0004176300000000, 0.0004382000000000 ] - [ 0.0000000000000000, -0.0001115500000000, 0.0001620500000000 ] - [ -0.0008832100000000, 0.0048582700000000, -0.0019141100000000 ] - [ 0.0008832100000000, 0.0048582700000000, -0.0019141100000000 ] - [ 0.0000000000000000, -0.0003167600000000, -0.0001157200000000 ] - [ 0.0000000000000000, 0.0005475600000000, -0.0007316200000000 ] - [ 0.0004822400000000, -0.0003426700000000, 0.0004326900000000 ] - [ -0.0004822400000000, -0.0003426700000000, 0.0004326900000000 ]- atom: 27 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010644100000000, 0.0008733400000000, 0.0013200200000000 ] - [ -0.0021527100000000, -0.0013376900000000, -0.0008710000000000 ] - [ 0.0002468500000000, -0.0002348800000000, -0.0001042200000000 ] - [ -0.0003446100000000, 0.0005309600000000, -0.0001183900000000 ] - [ 0.0021527100000000, -0.0013376900000000, -0.0008710000000000 ] - [ 0.0010644100000000, 0.0008733400000000, 0.0013200200000000 ] - [ 0.0003446100000000, 0.0005309600000000, -0.0001183900000000 ] - [ -0.0002468500000000, -0.0002348800000000, -0.0001042200000000 ] - [ 0.0000000000000000, 0.0002378000000000, -0.0002040700000000 ] - [ 0.0000000000000000, 0.0006800800000000, -0.0019676300000000 ] - [ 0.0000000000000000, -0.0002967700000000, 0.0002651300000000 ] - [ 0.0000000000000000, 0.0000311700000000, -0.0002730100000000 ] - [ 0.0001803500000000, -0.0000822300000000, -0.0003849500000000 ] - [ -0.0000052200000000, 0.0000476400000000, -0.0003815300000000 ] - [ -0.0011857100000000, 0.0009262700000000, -0.0005621700000000 ] - [ -0.0014784900000000, -0.0017091000000000, 0.0015842100000000 ] - [ 0.0014784900000000, -0.0017091000000000, 0.0015842100000000 ] - [ 0.0011857100000000, 0.0009262700000000, -0.0005621700000000 ] - [ 0.0000052200000000, 0.0000476400000000, -0.0003815300000000 ] - [ -0.0001803500000000, -0.0000822300000000, -0.0003849500000000 ] - [ 0.0000000000000000, -0.0005910300000000, -0.0008328800000000 ] - [ 0.0000000000000000, -0.0011456200000000, -0.0001682600000000 ] - [ 0.0000000000000000, 0.0000376100000000, 0.0023236000000000 ] - [ 0.0000000000000000, 0.0010051300000000, -0.0001899800000000 ] - [ 0.0000000000000000, -0.0857175300000000, 0.0480342000000000 ] - [ 0.0000000000000000, -0.0000540100000000, 0.0003222800000000 ] - [ 0.0000000000000000, 0.1239322200000000, -0.0622346600000000 ] - [ 0.0000000000000000, -0.0172056000000000, 0.0025608300000000 ] - [ -0.0000222900000000, -0.0000498900000000, -0.0001558700000000 ] - [ 0.0000222900000000, -0.0000498900000000, -0.0001558700000000 ] - [ 0.0000000000000000, 0.0000168400000000, -0.0001247800000000 ] - [ 0.0000000000000000, -0.0000258700000000, -0.0002649700000000 ] - [ 0.0032762900000000, -0.0018293900000000, 0.0048322800000000 ] - [ -0.0032762900000000, -0.0018293900000000, 0.0048322800000000 ] - [ 0.0000000000000000, -0.0004962400000000, 0.0017267300000000 ] - [ 0.0000000000000000, -0.0010431900000000, 0.0006989200000000 ] - [ -0.0011714100000000, -0.0027712100000000, -0.0017324100000000 ] - [ 0.0011714100000000, -0.0027712100000000, -0.0017324100000000 ] - [ 0.0000000000000000, -0.0000604500000000, -0.0004891500000000 ] - [ 0.0000000000000000, 0.0012234700000000, 0.0000102400000000 ] - [ -0.0003036000000000, 0.0001040900000000, 0.0007126100000000 ] - [ 0.0003036000000000, 0.0001040900000000, 0.0007126100000000 ] - [ 0.0000000000000000, -0.0007310100000000, -0.0005299600000000 ] - [ 0.0000000000000000, 0.0004284200000000, -0.0002500800000000 ] - [ 0.0011680900000000, -0.0048181100000000, 0.0017896000000000 ] - [ -0.0011680900000000, -0.0048181100000000, 0.0017896000000000 ] - [ 0.0000000000000000, 0.0006208500000000, 0.0000497200000000 ] - [ 0.0000000000000000, -0.0008502400000000, 0.0006727000000000 ] - [ -0.0001757700000000, 0.0003522000000000, -0.0004956300000000 ] - [ 0.0001757700000000, 0.0003522000000000, -0.0004956300000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000817500000000, 0.0002093400000000, 0.0005883800000000 ] - [ 0.0035310600000000, -0.0000556400000000, 0.0030615300000000 ] - [ 0.0001281200000000, -0.0001652000000000, -0.0003841000000000 ] - [ -0.0002425200000000, 0.0004409100000000, -0.0008974800000000 ] - [ -0.0035310600000000, -0.0000556400000000, 0.0030615300000000 ] - [ 0.0000817500000000, 0.0002093400000000, 0.0005883800000000 ] - [ 0.0002425200000000, 0.0004409100000000, -0.0008974800000000 ] - [ -0.0001281200000000, -0.0001652000000000, -0.0003841000000000 ] - [ 0.0000000000000000, 0.0002076400000000, -0.0008103000000000 ] - [ 0.0000000000000000, 0.0049044100000000, 0.0020521800000000 ] - [ 0.0000000000000000, -0.0003223400000000, 0.0008671600000000 ] - [ 0.0000000000000000, 0.0000766800000000, -0.0011909800000000 ] - [ 0.0001697400000000, 0.0000501200000000, -0.0008937400000000 ] - [ 0.0000379200000000, -0.0001095100000000, -0.0008491100000000 ] - [ -0.0002101100000000, 0.0008491500000000, 0.0013635900000000 ] - [ 0.0004360500000000, -0.0008843000000000, 0.0020446800000000 ] - [ -0.0004360500000000, -0.0008843000000000, 0.0020446800000000 ] - [ 0.0002101100000000, 0.0008491500000000, 0.0013635900000000 ] - [ -0.0000379200000000, -0.0001095100000000, -0.0008491100000000 ] - [ -0.0001697400000000, 0.0000501200000000, -0.0008937400000000 ] - [ 0.0000000000000000, -0.0011758300000000, -0.0021058900000000 ] - [ 0.0000000000000000, -0.0003946200000000, 0.0024553300000000 ] - [ 0.0000000000000000, 0.0001212200000000, 0.0003706900000000 ] - [ 0.0000000000000000, 0.0005977700000000, -0.0004081600000000 ] - [ 0.0000000000000000, -0.0469724900000000, 0.0552281700000000 ] - [ 0.0000000000000000, -0.0000380900000000, -0.0008761300000000 ] - [ 0.0000000000000000, 0.0611001500000000, -0.0808405200000000 ] - [ 0.0000000000000000, 0.0029566400000000, -0.0041738300000000 ] - [ 0.0002577600000000, -0.0000726400000000, 0.0004584200000000 ] - [ -0.0002577600000000, -0.0000726400000000, 0.0004584200000000 ] - [ 0.0000000000000000, 0.0002282200000000, 0.0003935500000000 ] - [ 0.0000000000000000, -0.0001491500000000, 0.0003148800000000 ] - [ 0.0060965300000000, -0.0094382100000000, 0.0042012900000000 ] - [ -0.0060965300000000, -0.0094382100000000, 0.0042012900000000 ] - [ 0.0000000000000000, -0.0006472900000000, 0.0024317500000000 ] - [ 0.0000000000000000, -0.0008278700000000, 0.0009997500000000 ] - [ 0.0002104400000000, 0.0010272400000000, 0.0003332600000000 ] - [ -0.0002104400000000, 0.0010272400000000, 0.0003332600000000 ] - [ 0.0000000000000000, 0.0000805900000000, -0.0013023300000000 ] - [ 0.0000000000000000, 0.0003421000000000, -0.0012493200000000 ] - [ -0.0005392500000000, 0.0002328900000000, 0.0013988900000000 ] - [ 0.0005392500000000, 0.0002328900000000, 0.0013988900000000 ] - [ 0.0000000000000000, -0.0005478200000000, 0.0002459900000000 ] - [ 0.0000000000000000, 0.0002136900000000, 0.0001998900000000 ] - [ 0.0010064800000000, -0.0025367700000000, 0.0017610600000000 ] - [ -0.0010064800000000, -0.0025367700000000, 0.0017610600000000 ] - [ 0.0000000000000000, 0.0004283800000000, 0.0005149300000000 ] - [ 0.0000000000000000, -0.0007222000000000, 0.0016293400000000 ] - [ 0.0014091400000000, 0.0007227200000000, 0.0004402500000000 ] - [ -0.0014091400000000, 0.0007227200000000, 0.0004402500000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0003502600000000, 0.0001264000000000, -0.0003582500000000 ] - [ -0.0032616600000000, -0.0002484300000000, -0.0028836000000000 ] - [ 0.0002117200000000, 0.0005958000000000, 0.0006226600000000 ] - [ -0.0000974200000000, -0.0008699000000000, 0.0011386700000000 ] - [ 0.0032616600000000, -0.0002484300000000, -0.0028836000000000 ] - [ 0.0003502600000000, 0.0001264000000000, -0.0003582500000000 ] - [ 0.0000974200000000, -0.0008699000000000, 0.0011386700000000 ] - [ -0.0002117200000000, 0.0005958000000000, 0.0006226600000000 ] - [ 0.0000000000000000, -0.0002061900000000, 0.0012112600000000 ] - [ 0.0000000000000000, -0.0049042700000000, -0.0017422100000000 ] - [ 0.0000000000000000, 0.0003183000000000, -0.0011524000000000 ] - [ 0.0000000000000000, -0.0000769100000000, 0.0009073300000000 ] - [ -0.0005019800000000, 0.0003551700000000, 0.0005593400000000 ] - [ 0.0002932400000000, -0.0002964900000000, 0.0005085900000000 ] - [ -0.0001902800000000, -0.0011752400000000, -0.0017058900000000 ] - [ -0.0000828100000000, 0.0012068200000000, -0.0023588100000000 ] - [ 0.0000828100000000, 0.0012068200000000, -0.0023588100000000 ] - [ 0.0001902800000000, -0.0011752400000000, -0.0017058900000000 ] - [ -0.0002932400000000, -0.0002964900000000, 0.0005085900000000 ] - [ 0.0005019800000000, 0.0003551700000000, 0.0005593400000000 ] - [ 0.0000000000000000, 0.0011734700000000, 0.0020636300000000 ] - [ 0.0000000000000000, 0.0003852600000000, -0.0025111300000000 ] - [ 0.0000000000000000, -0.0001228600000000, 0.0001092700000000 ] - [ 0.0000000000000000, -0.0005785300000000, 0.0008772500000000 ] - [ 0.0000000000000000, 0.0451983800000000, -0.0540114500000000 ] - [ 0.0000000000000000, 0.0000412100000000, 0.0014370700000000 ] - [ 0.0000000000000000, -0.0595055000000000, 0.0798075000000000 ] - [ 0.0000000000000000, -0.0026660500000000, 0.0036245200000000 ] - [ 0.0000376700000000, 0.0000719300000000, -0.0009974000000000 ] - [ -0.0000376700000000, 0.0000719300000000, -0.0009974000000000 ] - [ 0.0000000000000000, -0.0000067100000000, -0.0009442800000000 ] - [ 0.0000000000000000, -0.0000726500000000, -0.0008650200000000 ] - [ -0.0057730300000000, 0.0093172700000000, -0.0046870600000000 ] - [ 0.0057730300000000, 0.0093172700000000, -0.0046870600000000 ] - [ 0.0000000000000000, 0.0010819300000000, -0.0017737900000000 ] - [ 0.0000000000000000, 0.0003962700000000, -0.0003186500000000 ] - [ -0.0006457900000000, -0.0010354400000000, 0.0003294400000000 ] - [ 0.0006457900000000, -0.0010354400000000, 0.0003294400000000 ] - [ 0.0000000000000000, -0.0005772800000000, 0.0015298100000000 ] - [ 0.0000000000000000, 0.0001613400000000, 0.0014811400000000 ] - [ 0.0000412300000000, -0.0002321500000000, -0.0011779800000000 ] - [ -0.0000412300000000, -0.0002321500000000, -0.0011779800000000 ] - [ 0.0000000000000000, 0.0002290600000000, -0.0003518100000000 ] - [ 0.0000000000000000, 0.0001070700000000, -0.0003054500000000 ] - [ -0.0007129900000000, 0.0025750500000000, -0.0018870900000000 ] - [ 0.0007129900000000, 0.0025750500000000, -0.0018870900000000 ] - [ 0.0000000000000000, -0.0001251300000000, -0.0005805000000000 ] - [ 0.0000000000000000, 0.0004150500000000, -0.0016882200000000 ] - [ -0.0011166200000000, -0.0007234000000000, -0.0005045400000000 ] - [ 0.0011166200000000, -0.0007234000000000, -0.0005045400000000 ]- atom: 31 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001522800000000, 0.0007503800000000, 0.0006624200000000 ] - [ 0.0002492500000000, 0.0002120200000000, 0.0003059800000000 ] - [ 0.0000088900000000, -0.0008670600000000, -0.0009220500000000 ] - [ -0.0003650500000000, -0.0007869700000000, 0.0010170400000000 ] - [ -0.0001940900000000, -0.0005393700000000, -0.0000587300000000 ] - [ 0.0002833300000000, -0.0004176300000000, -0.0004214600000000 ] - [ -0.0000261700000000, 0.0003578300000000, -0.0007771800000000 ] - [ -0.0003312600000000, 0.0012937300000000, 0.0011526500000000 ] - [ -0.0015140900000000, 0.0000027800000000, 0.0002017400000000 ] - [ -0.0003600900000000, -0.0000003500000000, 0.0001979500000000 ] - [ -0.0000380100000000, -0.0000029300000000, -0.0001463300000000 ] - [ 0.0005907700000000, -0.0000312900000000, -0.0001272000000000 ] - [ -0.0001685600000000, -0.0004785200000000, 0.0007255500000000 ] - [ 0.0177595400000000, 0.0043223500000000, -0.0091472700000000 ] - [ -0.0001785500000000, -0.0001018300000000, -0.0001548600000000 ] - [ 0.0002456100000000, 0.0002316400000000, -0.0001957400000000 ] - [ -0.0001581200000000, 0.0000921200000000, -0.0001454400000000 ] - [ 0.0002196500000000, -0.0002194300000000, -0.0001867700000000 ] - [ 0.0166899500000000, -0.0044427700000000, 0.0084264100000000 ] - [ 0.0001694500000000, 0.0008801800000000, -0.0010643700000000 ] - [ 0.0023094000000000, 0.0000003500000000, -0.0000199200000000 ] - [ -0.0010713100000000, -0.0000293000000000, -0.0000196000000000 ] - [ -0.0006578800000000, 0.0000050300000000, 0.0002198700000000 ] - [ -0.0020801200000000, 0.0000096600000000, 0.0002251000000000 ] - [ 0.0000495500000000, -0.0000012400000000, 0.0002798900000000 ] - [ 0.0218435500000000, 0.0001869300000000, 0.0004536600000000 ] - [ -0.0001542800000000, -0.0001476500000000, -0.0002688900000000 ] - [ -0.0000070800000000, 0.0001472600000000, -0.0002680700000000 ] - [ 0.0019598100000000, 0.0085222800000000, 0.0090766100000000 ] - [ 0.0016730900000000, -0.0085403000000000, -0.0096787200000000 ] - [ -0.0585352600000000, -0.0002744800000000, -0.0000272700000000 ] - [ -0.0040059700000000, -0.0000865200000000, -0.0002654500000000 ] - [ 0.0001622100000000, -0.0000108600000000, -0.0002567000000000 ] - [ -0.0000574000000000, 0.0000125300000000, -0.0002889000000000 ] - [ 0.0006173700000000, 0.0002106700000000, 0.0003389100000000 ] - [ 0.0017442700000000, -0.0002170200000000, 0.0003383700000000 ] - [ 0.0001695700000000, 0.0000225300000000, 0.0004624500000000 ] - [ 0.0005996400000000, -0.0000250400000000, 0.0002220500000000 ] - [ 0.0001017900000000, -0.0002421100000000, 0.0001201700000000 ] - [ 0.0000190800000000, 0.0002493300000000, 0.0001066000000000 ] - [ -0.0006846200000000, -0.0012691900000000, 0.0012715100000000 ] - [ -0.0001871000000000, 0.0012719300000000, -0.0010482800000000 ] - [ 0.0004890500000000, -0.0001592900000000, -0.0000456600000000 ] - [ 0.0016366600000000, 0.0001577000000000, -0.0000405800000000 ] - [ 0.0021414200000000, -0.0011320400000000, 0.0008920800000000 ] - [ 0.0018121900000000, 0.0011156900000000, -0.0009666500000000 ] - [ -0.0008238400000000, 0.0001514500000000, -0.0000329500000000 ] - [ -0.0004372500000000, -0.0001511500000000, -0.0000304400000000 ] - [ -0.0005255300000000, 0.0003767700000000, 0.0001506000000000 ] - [ -0.0008311600000000, -0.0004088100000000, -0.0002421000000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0011643700000000, -0.0000417900000000, -0.0009574400000000 ] - [ 0.0003431600000000, -0.0005665000000000, 0.0005540500000000 ] - [ 0.0003449200000000, -0.0013367600000000, -0.0002374400000000 ] - [ -0.0003878100000000, 0.0007429400000000, 0.0000465500000000 ] - [ -0.0003431600000000, -0.0005665000000000, 0.0005540500000000 ] - [ -0.0011643700000000, -0.0000417900000000, -0.0009574400000000 ] - [ 0.0003878100000000, 0.0007429400000000, 0.0000465500000000 ] - [ -0.0003449200000000, -0.0013367600000000, -0.0002374400000000 ] - [ 0.0000000000000000, 0.0002183800000000, 0.0006049000000000 ] - [ 0.0000000000000000, -0.0000225300000000, 0.0000865500000000 ] - [ 0.0000000000000000, -0.0003098400000000, -0.0004838000000000 ] - [ 0.0000000000000000, -0.0039959300000000, -0.0026406000000000 ] - [ -0.0016809500000000, -0.0008412400000000, -0.0003494300000000 ] - [ 0.0035735800000000, 0.0024962700000000, -0.0015710400000000 ] - [ 0.0001371700000000, 0.0000735500000000, -0.0004341500000000 ] - [ 0.0000812500000000, 0.0000015400000000, -0.0003315100000000 ] - [ -0.0000812500000000, 0.0000015400000000, -0.0003315100000000 ] - [ -0.0001371700000000, 0.0000735500000000, -0.0004341500000000 ] - [ -0.0035735800000000, 0.0024962700000000, -0.0015710400000000 ] - [ 0.0016809500000000, -0.0008412400000000, -0.0003494300000000 ] - [ 0.0000000000000000, -0.0002007600000000, 0.0018219200000000 ] - [ 0.0000000000000000, -0.0010549900000000, 0.0002781700000000 ] - [ 0.0000000000000000, 0.0005615200000000, -0.0006443500000000 ] - [ 0.0000000000000000, 0.0008533300000000, 0.0000297200000000 ] - [ 0.0000000000000000, 0.0000478000000000, 0.0003094200000000 ] - [ 0.0000000000000000, 0.0901802600000000, 0.0536210400000000 ] - [ 0.0000000000000000, -0.0000521000000000, -0.0001523500000000 ] - [ 0.0000000000000000, 0.0000628700000000, -0.0002312200000000 ] - [ 0.0032556200000000, 0.0023551300000000, 0.0056182000000000 ] - [ -0.0032556200000000, 0.0023551300000000, 0.0056182000000000 ] - [ 0.0000000000000000, -0.1299262600000000, -0.0652338000000000 ] - [ 0.0000000000000000, 0.0183521000000000, 0.0038974700000000 ] - [ -0.0000653700000000, 0.0000532400000000, -0.0001642600000000 ] - [ 0.0000653700000000, 0.0000532400000000, -0.0001642600000000 ] - [ 0.0000000000000000, 0.0001493000000000, -0.0002391800000000 ] - [ 0.0000000000000000, -0.0009880300000000, 0.0002678500000000 ] - [ -0.0003122700000000, -0.0000919500000000, 0.0008198400000000 ] - [ 0.0003122700000000, -0.0000919500000000, 0.0008198400000000 ] - [ 0.0000000000000000, 0.0005156800000000, 0.0021358300000000 ] - [ 0.0000000000000000, 0.0008640600000000, 0.0002489700000000 ] - [ -0.0011061100000000, 0.0028078700000000, -0.0015621200000000 ] - [ 0.0011061100000000, 0.0028078700000000, -0.0015621200000000 ] - [ 0.0000000000000000, -0.0004470700000000, 0.0002119900000000 ] - [ 0.0000000000000000, 0.0005626900000000, 0.0007415500000000 ] - [ -0.0003203500000000, -0.0001815800000000, -0.0005167200000000 ] - [ 0.0003203500000000, -0.0001815800000000, -0.0005167200000000 ] - [ 0.0000000000000000, 0.0007682000000000, -0.0003904100000000 ] - [ 0.0000000000000000, -0.0004985200000000, -0.0000885500000000 ] - [ 0.0017587600000000, 0.0067092300000000, 0.0020098800000000 ] - [ -0.0017587600000000, 0.0067092300000000, 0.0020098800000000 ]- atom: 31 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0015972300000000, 0.0003963800000000, 0.0012059200000000 ] - [ 0.0000847000000000, 0.0002283900000000, -0.0003106700000000 ] - [ -0.0000116300000000, 0.0017749500000000, 0.0004738000000000 ] - [ 0.0000522200000000, -0.0011806800000000, 0.0001950600000000 ] - [ -0.0000847000000000, 0.0002283900000000, -0.0003106700000000 ] - [ 0.0015972300000000, 0.0003963800000000, 0.0012059200000000 ] - [ -0.0000522200000000, -0.0011806800000000, 0.0001950600000000 ] - [ 0.0000116300000000, 0.0017749500000000, 0.0004738000000000 ] - [ 0.0000000000000000, -0.0002209100000000, -0.0002181500000000 ] - [ 0.0000000000000000, 0.0000242300000000, 0.0003220300000000 ] - [ 0.0000000000000000, 0.0003088600000000, 0.0001980300000000 ] - [ 0.0000000000000000, 0.0042045000000000, 0.0022770400000000 ] - [ 0.0013669800000000, 0.0012483000000000, 0.0000116800000000 ] - [ -0.0032137400000000, -0.0029330000000000, 0.0011997100000000 ] - [ -0.0005378000000000, -0.0004015800000000, 0.0000995000000000 ] - [ 0.0003230400000000, 0.0003222500000000, -0.0000042400000000 ] - [ -0.0003230400000000, 0.0003222500000000, -0.0000042400000000 ] - [ 0.0005378000000000, -0.0004015800000000, 0.0000995000000000 ] - [ 0.0032137400000000, -0.0029330000000000, 0.0011997100000000 ] - [ -0.0013669800000000, 0.0012483000000000, 0.0000116800000000 ] - [ 0.0000000000000000, 0.0002015000000000, -0.0018521300000000 ] - [ 0.0000000000000000, 0.0010426500000000, -0.0003044600000000 ] - [ 0.0000000000000000, -0.0005645000000000, 0.0011027200000000 ] - [ 0.0000000000000000, -0.0008690600000000, 0.0003920000000000 ] - [ 0.0000000000000000, -0.0000479600000000, 0.0002604500000000 ] - [ 0.0000000000000000, -0.0939520700000000, -0.0563646400000000 ] - [ 0.0000000000000000, -0.0002393700000000, -0.0003929000000000 ] - [ 0.0000000000000000, 0.0002310100000000, -0.0003130400000000 ] - [ -0.0030180900000000, -0.0023659600000000, -0.0062562300000000 ] - [ 0.0030180900000000, -0.0023659600000000, -0.0062562300000000 ] - [ 0.0000000000000000, 0.1340371400000000, 0.0683007900000000 ] - [ 0.0000000000000000, -0.0189715400000000, -0.0044999600000000 ] - [ 0.0002845700000000, -0.0000517300000000, -0.0003879500000000 ] - [ -0.0002845700000000, -0.0000517300000000, -0.0003879500000000 ] - [ 0.0000000000000000, 0.0002904100000000, 0.0009342700000000 ] - [ 0.0000000000000000, 0.0005633500000000, 0.0004225600000000 ] - [ -0.0001171800000000, 0.0000925500000000, -0.0001457800000000 ] - [ 0.0001171800000000, 0.0000925500000000, -0.0001457800000000 ] - [ 0.0000000000000000, -0.0010151400000000, -0.0019042400000000 ] - [ 0.0000000000000000, -0.0003703300000000, -0.0000305200000000 ] - [ 0.0006005400000000, -0.0027990300000000, 0.0017741000000000 ] - [ -0.0006005400000000, -0.0027990300000000, 0.0017741000000000 ] - [ 0.0000000000000000, 0.0001362200000000, -0.0003057900000000 ] - [ 0.0000000000000000, -0.0002511300000000, -0.0008407300000000 ] - [ 0.0006311000000000, 0.0001942100000000, 0.0004279500000000 ] - [ -0.0006311000000000, 0.0001942100000000, 0.0004279500000000 ] - [ 0.0000000000000000, -0.0004650800000000, 0.0003227900000000 ] - [ 0.0000000000000000, 0.0001986100000000, 0.0000199000000000 ] - [ -0.0014194500000000, -0.0066607500000000, -0.0020458700000000 ] - [ 0.0014194500000000, -0.0066607500000000, -0.0020458700000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0006525700000000, -0.0002392000000000, -0.0010275400000000 ] - [ 0.0000811200000000, -0.0002895800000000, 0.0000514800000000 ] - [ 0.0005493000000000, -0.0009404500000000, -0.0008446700000000 ] - [ 0.0000680900000000, 0.0003675400000000, -0.0005473700000000 ] - [ -0.0000811200000000, -0.0002895800000000, 0.0000514800000000 ] - [ -0.0006525700000000, -0.0002392000000000, -0.0010275400000000 ] - [ -0.0000680900000000, 0.0003675400000000, -0.0005473700000000 ] - [ -0.0005493000000000, -0.0009404500000000, -0.0008446700000000 ] - [ 0.0000000000000000, 0.0004273700000000, 0.0011285300000000 ] - [ 0.0000000000000000, -0.0000985500000000, -0.0007021000000000 ] - [ 0.0000000000000000, -0.0000762500000000, -0.0008181000000000 ] - [ 0.0000000000000000, -0.0036328900000000, 0.0027690500000000 ] - [ 0.0001095400000000, -0.0006014700000000, 0.0012436500000000 ] - [ -0.0087315400000000, -0.0021497600000000, 0.0049713100000000 ] - [ -0.0000831700000000, 0.0000346900000000, -0.0006803400000000 ] - [ 0.0001489400000000, 0.0000000300000000, -0.0007470100000000 ] - [ -0.0001489400000000, 0.0000000300000000, -0.0007470100000000 ] - [ 0.0000831700000000, 0.0000346900000000, -0.0006803400000000 ] - [ 0.0087315400000000, -0.0021497600000000, 0.0049713100000000 ] - [ -0.0001095400000000, -0.0006014700000000, 0.0012436500000000 ] - [ 0.0000000000000000, -0.0000003300000000, -0.0002367000000000 ] - [ 0.0000000000000000, 0.0007688700000000, -0.0010057200000000 ] - [ 0.0000000000000000, 0.0014357700000000, -0.0014549400000000 ] - [ 0.0000000000000000, 0.0001007000000000, 0.0028095900000000 ] - [ 0.0000000000000000, 0.0001511500000000, -0.0007792500000000 ] - [ 0.0000000000000000, 0.0557208400000000, 0.0655326600000000 ] - [ 0.0000000000000000, -0.0002956700000000, 0.0004069900000000 ] - [ 0.0000000000000000, 0.0001556300000000, 0.0003273600000000 ] - [ 0.0051596300000000, 0.0093779400000000, 0.0041535300000000 ] - [ -0.0051596300000000, 0.0093779400000000, 0.0041535300000000 ] - [ 0.0000000000000000, -0.0655387900000000, -0.0891621500000000 ] - [ 0.0000000000000000, -0.0043153300000000, -0.0043299800000000 ] - [ 0.0002282500000000, 0.0000155100000000, 0.0002693100000000 ] - [ -0.0002282500000000, 0.0000155100000000, 0.0002693100000000 ] - [ 0.0000000000000000, -0.0000158800000000, -0.0009055200000000 ] - [ 0.0000000000000000, -0.0001767900000000, -0.0007614100000000 ] - [ -0.0004931600000000, -0.0002497600000000, 0.0012260800000000 ] - [ 0.0004931600000000, -0.0002497600000000, 0.0012260800000000 ] - [ 0.0000000000000000, 0.0003430000000000, 0.0026499100000000 ] - [ 0.0000000000000000, 0.0005812400000000, 0.0008485900000000 ] - [ 0.0000783600000000, -0.0008601800000000, -0.0000624000000000 ] - [ -0.0000783600000000, -0.0008601800000000, -0.0000624000000000 ] - [ 0.0000000000000000, -0.0004364100000000, 0.0002553600000000 ] - [ 0.0000000000000000, 0.0002001700000000, 0.0015619800000000 ] - [ 0.0014517600000000, -0.0009335300000000, 0.0001911700000000 ] - [ -0.0014517600000000, -0.0009335300000000, 0.0001911700000000 ] - [ 0.0000000000000000, 0.0004909100000000, 0.0005121000000000 ] - [ 0.0000000000000000, -0.0003346000000000, 0.0005421900000000 ] - [ 0.0017771400000000, 0.0037411400000000, 0.0022085900000000 ] - [ -0.0017771400000000, 0.0037411400000000, 0.0022085900000000 ]- atom: 31 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0010887200000000, 0.0005759800000000, 0.0012495500000000 ] - [ 0.0003559900000000, -0.0000495500000000, 0.0001886600000000 ] - [ -0.0002176400000000, 0.0013807000000000, 0.0010803800000000 ] - [ -0.0004022400000000, -0.0008080700000000, 0.0007840600000000 ] - [ -0.0003559900000000, -0.0000495500000000, 0.0001886600000000 ] - [ 0.0010887200000000, 0.0005759800000000, 0.0012495500000000 ] - [ 0.0004022400000000, -0.0008080700000000, 0.0007840600000000 ] - [ 0.0002176400000000, 0.0013807000000000, 0.0010803800000000 ] - [ 0.0000000000000000, -0.0004322800000000, -0.0007347400000000 ] - [ 0.0000000000000000, 0.0000976000000000, 0.0010911700000000 ] - [ 0.0000000000000000, 0.0000808700000000, 0.0005347300000000 ] - [ 0.0000000000000000, 0.0036860600000000, -0.0029883100000000 ] - [ -0.0004408800000000, 0.0010118900000000, -0.0015757700000000 ] - [ 0.0091526900000000, 0.0017577300000000, -0.0052364300000000 ] - [ -0.0003223900000000, -0.0003671300000000, 0.0003398200000000 ] - [ 0.0002593200000000, 0.0003260300000000, 0.0004032500000000 ] - [ -0.0002593200000000, 0.0003260300000000, 0.0004032500000000 ] - [ 0.0003223900000000, -0.0003671300000000, 0.0003398200000000 ] - [ -0.0091526900000000, 0.0017577300000000, -0.0052364300000000 ] - [ 0.0004408800000000, 0.0010118900000000, -0.0015757700000000 ] - [ 0.0000000000000000, 0.0000003400000000, 0.0001674000000000 ] - [ 0.0000000000000000, -0.0007375000000000, 0.0009299200000000 ] - [ 0.0000000000000000, -0.0014396400000000, 0.0019127700000000 ] - [ 0.0000000000000000, -0.0001156900000000, -0.0023353600000000 ] - [ 0.0000000000000000, -0.0001464800000000, 0.0013135700000000 ] - [ 0.0000000000000000, -0.0578482200000000, -0.0657997000000000 ] - [ 0.0000000000000000, -0.0000024700000000, -0.0009331900000000 ] - [ 0.0000000000000000, 0.0001411400000000, -0.0008549900000000 ] - [ -0.0049617800000000, -0.0094921800000000, -0.0047369800000000 ] - [ 0.0049617800000000, -0.0094921800000000, -0.0047369800000000 ] - [ 0.0000000000000000, 0.0679672400000000, 0.0892187600000000 ] - [ 0.0000000000000000, 0.0040822100000000, 0.0038023800000000 ] - [ 0.0000041200000000, -0.0000160200000000, -0.0008090600000000 ] - [ -0.0000041200000000, -0.0000160200000000, -0.0008090600000000 ] - [ 0.0000000000000000, 0.0004506600000000, 0.0015903100000000 ] - [ 0.0000000000000000, -0.0002477700000000, 0.0014402600000000 ] - [ 0.0000614800000000, 0.0002501900000000, -0.0005383400000000 ] - [ -0.0000614800000000, 0.0002501900000000, -0.0005383400000000 ] - [ 0.0000000000000000, -0.0008357400000000, -0.0023945700000000 ] - [ 0.0000000000000000, -0.0000876800000000, -0.0006159000000000 ] - [ -0.0005690700000000, 0.0008439500000000, 0.0003067500000000 ] - [ 0.0005690700000000, 0.0008439500000000, 0.0003067500000000 ] - [ 0.0000000000000000, 0.0001190900000000, -0.0003532000000000 ] - [ 0.0000000000000000, 0.0001174000000000, -0.0016685000000000 ] - [ -0.0011175900000000, 0.0009250000000000, -0.0002868600000000 ] - [ 0.0011175900000000, 0.0009250000000000, -0.0002868600000000 ] - [ 0.0000000000000000, -0.0001931300000000, -0.0005636900000000 ] - [ 0.0000000000000000, 0.0000363100000000, -0.0005986000000000 ] - [ -0.0014463800000000, -0.0036847000000000, -0.0022492900000000 ] - [ 0.0014463800000000, -0.0036847000000000, -0.0022492900000000 ]- atom: 35 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001378300000000, -0.0009678800000000, 0.0005322200000000 ] - [ -0.0007045600000000, -0.0012846900000000, 0.0023331700000000 ] - [ 0.0001875500000000, 0.0004065500000000, 0.0003081400000000 ] - [ -0.0000331400000000, 0.0000076900000000, -0.0000103700000000 ] - [ -0.0011352800000000, 0.0009394900000000, -0.0020998600000000 ] - [ 0.0002934400000000, 0.0013152500000000, -0.0002963300000000 ] - [ 0.0003004400000000, -0.0004451000000000, 0.0002504400000000 ] - [ -0.0001429600000000, 0.0000309000000000, -0.0000709300000000 ] - [ 0.0014732300000000, -0.0000197100000000, 0.0001974600000000 ] - [ 0.0018105700000000, 0.0000006500000000, 0.0002025000000000 ] - [ 0.0000985900000000, 0.0000001900000000, -0.0001405800000000 ] - [ -0.0002989900000000, 0.0000012400000000, -0.0001426900000000 ] - [ 0.0145571000000000, -0.0015885600000000, -0.0039449700000000 ] - [ 0.0003176400000000, 0.0000704600000000, -0.0001766700000000 ] - [ -0.0002910100000000, -0.0005079300000000, -0.0004545200000000 ] - [ 0.0001685700000000, -0.0000445400000000, -0.0000433200000000 ] - [ -0.0002396600000000, 0.0003728100000000, -0.0002957700000000 ] - [ 0.0001116100000000, 0.0001738800000000, 0.0001150500000000 ] - [ -0.0000001600000000, -0.0004695100000000, -0.0001732400000000 ] - [ 0.0143444600000000, 0.0018091400000000, 0.0033671700000000 ] - [ -0.0001391900000000, -0.0000008300000000, -0.0000196600000000 ] - [ -0.0015373200000000, -0.0000011300000000, -0.0000286200000000 ] - [ 0.0011448900000000, -0.0000114100000000, 0.0002300300000000 ] - [ 0.0247460200000000, -0.0001818500000000, 0.0000795400000000 ] - [ -0.0009161000000000, 0.0000016000000000, 0.0002752900000000 ] - [ -0.0031464600000000, -0.0000048800000000, 0.0002727100000000 ] - [ -0.0000268800000000, -0.0001451400000000, -0.0002697500000000 ] - [ 0.0001209300000000, 0.0001461500000000, -0.0002689200000000 ] - [ 0.0029290200000000, 0.0016708100000000, -0.0013046700000000 ] - [ 0.0026223800000000, -0.0016564900000000, 0.0007578100000000 ] - [ 0.0006177200000000, 0.0001158200000000, -0.0002697500000000 ] - [ 0.0017446600000000, -0.0001143800000000, -0.0002735000000000 ] - [ 0.0000212700000000, -0.0000237300000000, -0.0005229900000000 ] - [ -0.0002059800000000, 0.0000239600000000, -0.0000235900000000 ] - [ -0.0612666800000000, 0.0006032400000000, 0.0006808400000000 ] - [ -0.0041935900000000, -0.0002499000000000, 0.0003440100000000 ] - [ -0.0007719900000000, -0.0000343900000000, 0.0007263300000000 ] - [ -0.0003429800000000, 0.0000394400000000, -0.0000464200000000 ] - [ 0.0011177600000000, -0.0002523000000000, 0.0001146700000000 ] - [ 0.0006113200000000, 0.0002487600000000, 0.0001138100000000 ] - [ -0.0002929800000000, -0.0001348400000000, 0.0000541300000000 ] - [ 0.0002037500000000, 0.0001344000000000, 0.0001711200000000 ] - [ -0.0002831200000000, -0.0001576600000000, -0.0000483900000000 ] - [ -0.0003589900000000, 0.0001694600000000, -0.0000526000000000 ] - [ 0.0017305800000000, -0.0090499400000000, -0.0103169800000000 ] - [ 0.0014067000000000, 0.0090791600000000, 0.0102906000000000 ] - [ 0.0000365300000000, 0.0001508800000000, -0.0000321300000000 ] - [ 0.0000904400000000, -0.0001500200000000, -0.0000328800000000 ] - [ 0.0019760100000000, 0.0012833900000000, -0.0009030600000000 ] - [ 0.0016826400000000, -0.0012985000000000, 0.0008461400000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010453600000000, -0.0011477500000000, -0.0002146400000000 ] - [ -0.0013329300000000, 0.0011071900000000, 0.0023618200000000 ] - [ 0.0005262700000000, 0.0004775200000000, -0.0002636300000000 ] - [ 0.0000378700000000, -0.0005360600000000, 0.0001118500000000 ] - [ 0.0013329300000000, 0.0011071900000000, 0.0023618200000000 ] - [ 0.0010453600000000, -0.0011477500000000, -0.0002146400000000 ] - [ -0.0000378700000000, -0.0005360600000000, 0.0001118500000000 ] - [ -0.0005262700000000, 0.0004775200000000, -0.0002636300000000 ] - [ 0.0000000000000000, 0.0073607700000000, -0.0022323100000000 ] - [ 0.0000000000000000, 0.0002617300000000, -0.0009517000000000 ] - [ 0.0000000000000000, 0.0000873800000000, -0.0003056000000000 ] - [ 0.0000000000000000, -0.0001764300000000, -0.0001831500000000 ] - [ -0.0001519200000000, 0.0012432800000000, 0.0008136900000000 ] - [ 0.0018694100000000, -0.0009549000000000, 0.0005466800000000 ] - [ -0.0005012000000000, -0.0003070400000000, -0.0005425800000000 ] - [ 0.0001606500000000, 0.0003225300000000, -0.0003620700000000 ] - [ -0.0001606500000000, 0.0003225300000000, -0.0003620700000000 ] - [ 0.0005012000000000, -0.0003070400000000, -0.0005425800000000 ] - [ -0.0018694100000000, -0.0009549000000000, 0.0005466800000000 ] - [ 0.0001519200000000, 0.0012432800000000, 0.0008136900000000 ] - [ 0.0000000000000000, 0.0008132100000000, -0.0011315300000000 ] - [ 0.0000000000000000, 0.0017511500000000, 0.0023240800000000 ] - [ 0.0000000000000000, 0.0026154200000000, -0.0002843200000000 ] - [ 0.0000000000000000, 0.0895482900000000, 0.0487288000000000 ] - [ 0.0000000000000000, -0.0019194300000000, -0.0004790700000000 ] - [ 0.0000000000000000, 0.0010151700000000, -0.0009884300000000 ] - [ 0.0000000000000000, 0.0005593200000000, -0.0011294200000000 ] - [ 0.0000000000000000, 0.0009728600000000, 0.0003456800000000 ] - [ 0.0011057400000000, -0.0004484100000000, -0.0006947500000000 ] - [ -0.0011057400000000, -0.0004484100000000, -0.0006947500000000 ] - [ 0.0000000000000000, 0.0000392600000000, -0.0005079100000000 ] - [ 0.0000000000000000, -0.0008895500000000, -0.0003075500000000 ] - [ 0.0002119300000000, 0.0003852700000000, 0.0000061400000000 ] - [ -0.0002119300000000, 0.0003852700000000, 0.0000061400000000 ] - [ 0.0000000000000000, -0.1214701600000000, -0.0619022300000000 ] - [ 0.0000000000000000, 0.0139630000000000, 0.0011338000000000 ] - [ -0.0007309400000000, -0.0005589000000000, 0.0011145900000000 ] - [ 0.0007309400000000, -0.0005589000000000, 0.0011145900000000 ] - [ 0.0000000000000000, 0.0009548900000000, -0.0010707600000000 ] - [ 0.0000000000000000, -0.0000656500000000, -0.0001590900000000 ] - [ -0.0006882700000000, 0.0004335000000000, 0.0006797200000000 ] - [ 0.0006882700000000, 0.0004335000000000, 0.0006797200000000 ] - [ 0.0000000000000000, -0.0005524000000000, -0.0004128800000000 ] - [ 0.0000000000000000, -0.0018858000000000, 0.0011224400000000 ] - [ -0.0029949900000000, 0.0022597600000000, 0.0067462200000000 ] - [ 0.0029949900000000, 0.0022597600000000, 0.0067462200000000 ] - [ 0.0000000000000000, -0.0000944100000000, 0.0002625700000000 ] - [ 0.0000000000000000, 0.0001345900000000, 0.0004976300000000 ] - [ 0.0016806700000000, 0.0012124000000000, -0.0014875500000000 ] - [ -0.0016806700000000, 0.0012124000000000, -0.0014875500000000 ]- atom: 35 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006093000000000, 0.0014868000000000, 0.0004440000000000 ] - [ 0.0017629500000000, -0.0014547500000000, -0.0021025100000000 ] - [ -0.0001912900000000, -0.0000462500000000, 0.0004970600000000 ] - [ -0.0003701700000000, 0.0001053400000000, 0.0001251900000000 ] - [ -0.0017629500000000, -0.0014547500000000, -0.0021025100000000 ] - [ -0.0006093000000000, 0.0014868000000000, 0.0004440000000000 ] - [ 0.0003701700000000, 0.0001053400000000, 0.0001251900000000 ] - [ 0.0001912900000000, -0.0000462500000000, 0.0004970600000000 ] - [ 0.0000000000000000, -0.0071924900000000, 0.0024552500000000 ] - [ 0.0000000000000000, -0.0002622500000000, 0.0013405900000000 ] - [ 0.0000000000000000, -0.0000875000000000, 0.0000209900000000 ] - [ 0.0000000000000000, 0.0001748200000000, -0.0001001500000000 ] - [ -0.0001718400000000, -0.0008595100000000, -0.0011724100000000 ] - [ -0.0015228000000000, 0.0005583300000000, -0.0008853300000000 ] - [ 0.0000959300000000, -0.0000260000000000, 0.0001994600000000 ] - [ 0.0002441600000000, 0.0000031100000000, 0.0000189900000000 ] - [ -0.0002441600000000, 0.0000031100000000, 0.0000189900000000 ] - [ -0.0000959300000000, -0.0000260000000000, 0.0001994600000000 ] - [ 0.0015228000000000, 0.0005583300000000, -0.0008853300000000 ] - [ 0.0001718400000000, -0.0008595100000000, -0.0011724100000000 ] - [ 0.0000000000000000, -0.0008156900000000, 0.0010958300000000 ] - [ 0.0000000000000000, -0.0017586300000000, -0.0023723700000000 ] - [ 0.0000000000000000, -0.0025991600000000, 0.0007270900000000 ] - [ 0.0000000000000000, -0.0858655700000000, -0.0453906000000000 ] - [ 0.0000000000000000, 0.0019182900000000, 0.0010209900000000 ] - [ 0.0000000000000000, -0.0010018300000000, 0.0015596000000000 ] - [ 0.0000000000000000, -0.0008550100000000, 0.0005983100000000 ] - [ 0.0000000000000000, -0.0006784300000000, -0.0008796300000000 ] - [ -0.0008198800000000, 0.0004300700000000, 0.0001600200000000 ] - [ 0.0008198800000000, 0.0004300700000000, 0.0001600200000000 ] - [ 0.0000000000000000, 0.0001805500000000, -0.0000411500000000 ] - [ 0.0000000000000000, 0.0006625900000000, -0.0002361600000000 ] - [ 0.0000166900000000, -0.0003845200000000, -0.0005483500000000 ] - [ -0.0000166900000000, -0.0003845200000000, -0.0005483500000000 ] - [ 0.0000000000000000, 0.1178542600000000, 0.0596261100000000 ] - [ 0.0000000000000000, -0.0140882200000000, -0.0004240000000000 ] - [ 0.0002946200000000, 0.0005565900000000, -0.0004234800000000 ] - [ -0.0002946200000000, 0.0005565900000000, -0.0004234800000000 ] - [ 0.0000000000000000, -0.0014552000000000, 0.0013033900000000 ] - [ 0.0000000000000000, 0.0005642700000000, 0.0003864900000000 ] - [ 0.0001974000000000, -0.0004310100000000, -0.0004580600000000 ] - [ -0.0001974000000000, -0.0004310100000000, -0.0004580600000000 ] - [ 0.0000000000000000, 0.0002282700000000, 0.0003190500000000 ] - [ 0.0000000000000000, 0.0021995200000000, -0.0011873000000000 ] - [ 0.0032773300000000, -0.0022669600000000, -0.0067529100000000 ] - [ -0.0032773300000000, -0.0022669600000000, -0.0067529100000000 ] - [ 0.0000000000000000, 0.0003974600000000, -0.0003258500000000 ] - [ 0.0000000000000000, -0.0004394700000000, -0.0005620800000000 ] - [ -0.0013913900000000, -0.0012115200000000, 0.0014311400000000 ] - [ 0.0013913900000000, -0.0012115200000000, 0.0014311400000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0001700400000000, -0.0015018500000000, 0.0009188300000000 ] - [ 0.0015764700000000, 0.0012805700000000, -0.0002690700000000 ] - [ 0.0004755200000000, -0.0000455700000000, -0.0005741900000000 ] - [ 0.0000141900000000, 0.0000424800000000, -0.0003412800000000 ] - [ -0.0015764700000000, 0.0012805700000000, -0.0002690700000000 ] - [ 0.0001700400000000, -0.0015018500000000, 0.0009188300000000 ] - [ -0.0000141900000000, 0.0000424800000000, -0.0003412800000000 ] - [ -0.0004755200000000, -0.0000455700000000, -0.0005741900000000 ] - [ 0.0000000000000000, -0.0003917800000000, 0.0026389100000000 ] - [ 0.0000000000000000, 0.0000830500000000, -0.0015085000000000 ] - [ 0.0000000000000000, -0.0000283900000000, -0.0007270500000000 ] - [ 0.0000000000000000, -0.0000896800000000, 0.0002265000000000 ] - [ -0.0027432700000000, 0.0012389700000000, 0.0015361300000000 ] - [ 0.0003497800000000, -0.0001322300000000, 0.0004203000000000 ] - [ -0.0004146500000000, -0.0001320700000000, -0.0009436700000000 ] - [ 0.0004424800000000, 0.0000559500000000, -0.0007790400000000 ] - [ -0.0004424800000000, 0.0000559500000000, -0.0007790400000000 ] - [ 0.0004146500000000, -0.0001320700000000, -0.0009436700000000 ] - [ -0.0003497800000000, -0.0001322300000000, 0.0004203000000000 ] - [ 0.0027432700000000, 0.0012389700000000, 0.0015361300000000 ] - [ 0.0000000000000000, 0.0003710100000000, -0.0010869100000000 ] - [ 0.0000000000000000, -0.0001696800000000, 0.0019718000000000 ] - [ 0.0000000000000000, 0.0020698300000000, -0.0017462600000000 ] - [ 0.0000000000000000, 0.0451746000000000, 0.0493255100000000 ] - [ 0.0000000000000000, 0.0011404000000000, -0.0016189300000000 ] - [ 0.0000000000000000, -0.0000568500000000, 0.0045261900000000 ] - [ 0.0000000000000000, -0.0015380700000000, 0.0018478100000000 ] - [ 0.0000000000000000, 0.0005018400000000, 0.0003911800000000 ] - [ -0.0019312900000000, -0.0017257400000000, -0.0002611900000000 ] - [ 0.0019312900000000, -0.0017257400000000, -0.0002611900000000 ] - [ 0.0000000000000000, -0.0004721700000000, -0.0015177800000000 ] - [ 0.0000000000000000, -0.0000367400000000, -0.0013700000000000 ] - [ 0.0005974900000000, -0.0001196300000000, 0.0006104700000000 ] - [ -0.0005974900000000, -0.0001196300000000, 0.0006104700000000 ] - [ 0.0000000000000000, -0.0615568700000000, -0.0681326100000000 ] - [ 0.0000000000000000, -0.0010317400000000, -0.0043029700000000 ] - [ -0.0009854000000000, -0.0003861900000000, 0.0017044200000000 ] - [ 0.0009854000000000, -0.0003861900000000, 0.0017044200000000 ] - [ 0.0000000000000000, 0.0008923900000000, -0.0002527300000000 ] - [ 0.0000000000000000, -0.0000130400000000, -0.0000925700000000 ] - [ -0.0006407400000000, 0.0002384800000000, 0.0005729300000000 ] - [ 0.0006407400000000, 0.0002384800000000, 0.0005729300000000 ] - [ 0.0000000000000000, -0.0005764300000000, 0.0009620200000000 ] - [ 0.0000000000000000, -0.0015918000000000, 0.0030225300000000 ] - [ -0.0056066300000000, 0.0102325300000000, 0.0065300100000000 ] - [ 0.0056066300000000, 0.0102325300000000, 0.0065300100000000 ] - [ 0.0000000000000000, 0.0001076400000000, 0.0006576500000000 ] - [ 0.0000000000000000, -0.0002264700000000, 0.0009429200000000 ] - [ 0.0000872900000000, -0.0003262200000000, -0.0012030000000000 ] - [ -0.0000872900000000, -0.0003262200000000, -0.0012030000000000 ]- atom: 35 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002613200000000, 0.0018307800000000, -0.0006790500000000 ] - [ -0.0011538200000000, -0.0016074800000000, 0.0005349500000000 ] - [ -0.0001377500000000, 0.0004788100000000, 0.0008124100000000 ] - [ -0.0003494500000000, -0.0004767700000000, 0.0005814000000000 ] - [ 0.0011538200000000, -0.0016074800000000, 0.0005349500000000 ] - [ 0.0002613200000000, 0.0018307800000000, -0.0006790500000000 ] - [ 0.0003494500000000, -0.0004767700000000, 0.0005814000000000 ] - [ 0.0001377500000000, 0.0004788100000000, 0.0008124100000000 ] - [ 0.0000000000000000, 0.0005898700000000, -0.0024417600000000 ] - [ 0.0000000000000000, -0.0000829500000000, 0.0018978600000000 ] - [ 0.0000000000000000, 0.0000282500000000, 0.0004444700000000 ] - [ 0.0000000000000000, 0.0000903800000000, -0.0005167600000000 ] - [ 0.0024307100000000, -0.0008719700000000, -0.0018535900000000 ] - [ -0.0000266100000000, -0.0002703800000000, -0.0007709900000000 ] - [ 0.0000092800000000, -0.0001993400000000, 0.0006028300000000 ] - [ -0.0000368000000000, 0.0002712700000000, 0.0004390700000000 ] - [ 0.0000368000000000, 0.0002712700000000, 0.0004390700000000 ] - [ -0.0000092800000000, -0.0001993400000000, 0.0006028300000000 ] - [ 0.0000266100000000, -0.0002703800000000, -0.0007709900000000 ] - [ -0.0024307100000000, -0.0008719700000000, -0.0018535900000000 ] - [ 0.0000000000000000, -0.0003748600000000, 0.0010465200000000 ] - [ 0.0000000000000000, 0.0001719700000000, -0.0019921900000000 ] - [ 0.0000000000000000, -0.0020700100000000, 0.0022006600000000 ] - [ 0.0000000000000000, -0.0434864500000000, -0.0481538100000000 ] - [ 0.0000000000000000, -0.0011330900000000, 0.0021679400000000 ] - [ 0.0000000000000000, 0.0000666500000000, -0.0039943500000000 ] - [ 0.0000000000000000, 0.0012284100000000, -0.0023597700000000 ] - [ 0.0000000000000000, -0.0002070100000000, -0.0009289400000000 ] - [ 0.0022382300000000, 0.0017338500000000, -0.0002670300000000 ] - [ -0.0022382300000000, 0.0017338500000000, -0.0002670300000000 ] - [ 0.0000000000000000, 0.0007008800000000, 0.0009774000000000 ] - [ 0.0000000000000000, -0.0001912200000000, 0.0008310700000000 ] - [ -0.0003684000000000, 0.0001199400000000, -0.0011545300000000 ] - [ 0.0003684000000000, 0.0001199400000000, -0.0011545300000000 ] - [ 0.0000000000000000, 0.0599401200000000, 0.0681001700000000 ] - [ 0.0000000000000000, 0.0005257300000000, 0.0049657100000000 ] - [ 0.0005524500000000, 0.0003863000000000, -0.0010201300000000 ] - [ -0.0005524500000000, 0.0003863000000000, -0.0010201300000000 ] - [ 0.0000000000000000, -0.0013812300000000, 0.0004723100000000 ] - [ 0.0000000000000000, 0.0005086700000000, 0.0003141200000000 ] - [ 0.0001473900000000, -0.0002378000000000, -0.0003485500000000 ] - [ -0.0001473900000000, -0.0002378000000000, -0.0003485500000000 ] - [ 0.0000000000000000, 0.0002578400000000, -0.0010618100000000 ] - [ 0.0000000000000000, 0.0019093200000000, -0.0031409500000000 ] - [ 0.0058227100000000, -0.0100934500000000, -0.0065537600000000 ] - [ -0.0058227100000000, -0.0100934500000000, -0.0065537600000000 ] - [ 0.0000000000000000, 0.0001940800000000, -0.0007219500000000 ] - [ 0.0000000000000000, -0.0000746200000000, -0.0010096900000000 ] - [ 0.0002237500000000, 0.0003308700000000, 0.0011288500000000 ] - [ -0.0002237500000000, 0.0003308700000000, 0.0011288500000000 ]- atom: 39 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0003148300000000, -0.0008972400000000, -0.0004027000000000 ] - [ 0.0001537800000000, -0.0009365800000000, -0.0004906200000000 ] - [ 0.0002032300000000, 0.0003692600000000, 0.0002007900000000 ] - [ -0.0001307900000000, -0.0000812700000000, 0.0000214600000000 ] - [ -0.0002901100000000, 0.0006037400000000, 0.0007340400000000 ] - [ 0.0009563000000000, 0.0012205100000000, 0.0005162200000000 ] - [ 0.0002027400000000, -0.0003555800000000, 0.0002158900000000 ] - [ -0.0001287300000000, 0.0000683100000000, 0.0000332600000000 ] - [ 0.0000873100000000, 0.0000003700000000, 0.0001955700000000 ] - [ -0.0003791300000000, 0.0000019700000000, 0.0001964300000000 ] - [ 0.0027039000000000, -0.0000137000000000, -0.0001406600000000 ] - [ 0.0016203100000000, 0.0000004800000000, -0.0001452100000000 ] - [ -0.0003351200000000, 0.0012458300000000, -0.0011499100000000 ] - [ 0.0000860000000000, 0.0003687400000000, 0.0003503100000000 ] - [ 0.0033675700000000, -0.0016899300000000, -0.0010298600000000 ] - [ 0.0003730700000000, -0.0001532800000000, -0.0000208400000000 ] - [ -0.0000414200000000, 0.0004835400000000, -0.0003137700000000 ] - [ 0.0039197200000000, 0.0013328500000000, 0.0008504500000000 ] - [ -0.0002445900000000, -0.0007776500000000, -0.0006985200000000 ] - [ -0.0000052400000000, -0.0008383700000000, 0.0008065800000000 ] - [ 0.0011118700000000, -0.0000061000000000, -0.0000245100000000 ] - [ 0.0193993600000000, -0.0001391200000000, 0.0000878500000000 ] - [ -0.0008260700000000, -0.0000007800000000, 0.0002252600000000 ] - [ -0.0020486100000000, -0.0000011100000000, 0.0002343700000000 ] - [ -0.0035738800000000, -0.0000126000000000, 0.0002675300000000 ] - [ -0.0007704500000000, -0.0000002200000000, 0.0002697700000000 ] - [ 0.0006669700000000, -0.0001452700000000, -0.0002687200000000 ] - [ 0.0049806600000000, 0.0001513900000000, -0.0002664800000000 ] - [ 0.0000456900000000, -0.0000516900000000, -0.0004974500000000 ] - [ -0.0002527200000000, 0.0000518300000000, -0.0000327900000000 ] - [ 0.0001021100000000, 0.0001183500000000, -0.0002677900000000 ] - [ 0.0000192500000000, -0.0001164900000000, -0.0002705300000000 ] - [ 0.0029157800000000, -0.0012652500000000, -0.0011171400000000 ] - [ 0.0026913600000000, 0.0012758400000000, 0.0005864600000000 ] - [ 0.0011175900000000, 0.0002112900000000, 0.0003399200000000 ] - [ 0.0006111300000000, -0.0002162700000000, 0.0003415400000000 ] - [ 0.0002173000000000, 0.0001347300000000, 0.0001057200000000 ] - [ 0.0006474600000000, -0.0001346400000000, 0.0005816000000000 ] - [ -0.0396138500000000, -0.0000331100000000, -0.0000127800000000 ] - [ -0.0042681100000000, 0.0002135200000000, 0.0001125500000000 ] - [ -0.0009043100000000, 0.0001257200000000, 0.0008114300000000 ] - [ -0.0004047500000000, -0.0001226400000000, -0.0005793100000000 ] - [ 0.0001043500000000, -0.0001595900000000, -0.0000485900000000 ] - [ 0.0002726700000000, 0.0001600100000000, -0.0000477400000000 ] - [ 0.0018504300000000, -0.0000706600000000, -0.0008998200000000 ] - [ 0.0015260200000000, 0.0000713800000000, 0.0007965900000000 ] - [ -0.0003776200000000, 0.0001514900000000, -0.0000336200000000 ] - [ -0.0007310600000000, -0.0001443000000000, -0.0000310600000000 ] - [ 0.0016717200000000, 0.0059452200000000, -0.0081872800000000 ] - [ 0.0013860900000000, -0.0059429600000000, 0.0080960900000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0016269400000000, 0.0024570000000000, -0.0016499700000000 ] - [ -0.0011687600000000, -0.0009414400000000, 0.0005450300000000 ] - [ 0.0004349400000000, 0.0000408400000000, 0.0001563600000000 ] - [ 0.0000976700000000, -0.0001841600000000, 0.0003558200000000 ] - [ 0.0011687600000000, -0.0009414400000000, 0.0005450300000000 ] - [ 0.0016269400000000, 0.0024570000000000, -0.0016499700000000 ] - [ -0.0000976700000000, -0.0001841600000000, 0.0003558200000000 ] - [ -0.0004349400000000, 0.0000408400000000, 0.0001563600000000 ] - [ 0.0000000000000000, 0.0001005900000000, 0.0003708900000000 ] - [ 0.0000000000000000, -0.0003044900000000, 0.0001582600000000 ] - [ 0.0000000000000000, 0.0076336600000000, 0.0026166900000000 ] - [ 0.0000000000000000, 0.0001916000000000, 0.0008159100000000 ] - [ 0.0000947400000000, -0.0004795000000000, 0.0006096500000000 ] - [ 0.0002114300000000, 0.0003923300000000, 0.0002628300000000 ] - [ -0.0023350700000000, 0.0015680300000000, 0.0012072800000000 ] - [ -0.0009543200000000, -0.0002862300000000, -0.0013219700000000 ] - [ 0.0009543200000000, -0.0002862300000000, -0.0013219700000000 ] - [ 0.0023350700000000, 0.0015680300000000, 0.0012072800000000 ] - [ -0.0002114300000000, 0.0003923300000000, 0.0002628300000000 ] - [ -0.0000947400000000, -0.0004795000000000, 0.0006096500000000 ] - [ 0.0000000000000000, 0.0027585200000000, 0.0005098400000000 ] - [ 0.0000000000000000, 0.0727501300000000, -0.0409792600000000 ] - [ 0.0000000000000000, 0.0009237700000000, 0.0012323700000000 ] - [ 0.0000000000000000, 0.0016217700000000, -0.0018403000000000 ] - [ 0.0000000000000000, 0.0015077800000000, 0.0015190200000000 ] - [ 0.0000000000000000, -0.0019610600000000, 0.0010327500000000 ] - [ 0.0000000000000000, -0.0003348700000000, 0.0000646000000000 ] - [ 0.0000000000000000, -0.0008240300000000, -0.0003560300000000 ] - [ 0.0000930500000000, 0.0004436800000000, -0.0005567500000000 ] - [ -0.0000930500000000, 0.0004436800000000, -0.0005567500000000 ] - [ 0.0000000000000000, 0.0008823900000000, 0.0003170400000000 ] - [ 0.0000000000000000, 0.0005022800000000, -0.0006065100000000 ] - [ -0.0007358600000000, -0.0004393400000000, 0.0000517100000000 ] - [ 0.0007358600000000, -0.0004393400000000, 0.0000517100000000 ] - [ 0.0000000000000000, 0.0014188100000000, 0.0014767100000000 ] - [ 0.0000000000000000, -0.0005296400000000, 0.0006035100000000 ] - [ 0.0002245900000000, -0.0000420000000000, -0.0000497200000000 ] - [ -0.0002245900000000, -0.0000420000000000, -0.0000497200000000 ] - [ 0.0000000000000000, -0.1038363800000000, 0.0471621300000000 ] - [ 0.0000000000000000, 0.0144449100000000, -0.0000586400000000 ] - [ 0.0002972500000000, -0.0006554500000000, -0.0009027700000000 ] - [ -0.0002972500000000, -0.0006554500000000, -0.0009027700000000 ] - [ 0.0000000000000000, -0.0003552900000000, -0.0002970800000000 ] - [ 0.0000000000000000, 0.0004462100000000, -0.0006303200000000 ] - [ -0.0006096200000000, -0.0004515600000000, 0.0007914800000000 ] - [ 0.0006096200000000, -0.0004515600000000, 0.0007914800000000 ] - [ 0.0000000000000000, -0.0001320900000000, 0.0006539900000000 ] - [ 0.0000000000000000, -0.0025520900000000, -0.0022788400000000 ] - [ 0.0028030400000000, 0.0014015500000000, -0.0052423400000000 ] - [ -0.0028030400000000, 0.0014015500000000, -0.0052423400000000 ]- atom: 39 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0011996600000000, -0.0021246700000000, 0.0018756200000000 ] - [ 0.0015931500000000, 0.0006056600000000, -0.0002975400000000 ] - [ -0.0000992400000000, 0.0003956800000000, 0.0000801000000000 ] - [ -0.0004308300000000, -0.0002514400000000, -0.0001150500000000 ] - [ -0.0015931500000000, 0.0006056600000000, -0.0002975400000000 ] - [ -0.0011996600000000, -0.0021246700000000, 0.0018756200000000 ] - [ 0.0004308300000000, -0.0002514400000000, -0.0001150500000000 ] - [ 0.0000992400000000, 0.0003956800000000, 0.0000801000000000 ] - [ 0.0000000000000000, -0.0001003100000000, 0.0000255200000000 ] - [ 0.0000000000000000, 0.0003034000000000, 0.0002375300000000 ] - [ 0.0000000000000000, -0.0074437800000000, -0.0026995700000000 ] - [ 0.0000000000000000, -0.0001910400000000, -0.0011022400000000 ] - [ -0.0004277400000000, 0.0008850400000000, -0.0009479300000000 ] - [ 0.0001211100000000, -0.0007971400000000, -0.0006068500000000 ] - [ 0.0019403400000000, -0.0019365000000000, -0.0015421800000000 ] - [ 0.0013508200000000, 0.0006229900000000, 0.0009751500000000 ] - [ -0.0013508200000000, 0.0006229900000000, 0.0009751500000000 ] - [ -0.0019403400000000, -0.0019365000000000, -0.0015421800000000 ] - [ -0.0001211100000000, -0.0007971400000000, -0.0006068500000000 ] - [ 0.0004277400000000, 0.0008850400000000, -0.0009479300000000 ] - [ 0.0000000000000000, -0.0027415700000000, -0.0005434600000000 ] - [ 0.0000000000000000, -0.0700674600000000, 0.0385926500000000 ] - [ 0.0000000000000000, -0.0009270200000000, -0.0007895600000000 ] - [ 0.0000000000000000, -0.0016289400000000, 0.0022968500000000 ] - [ 0.0000000000000000, -0.0014941600000000, -0.0009812500000000 ] - [ 0.0000000000000000, 0.0019570900000000, -0.0004804600000000 ] - [ 0.0000000000000000, 0.0000320000000000, -0.0005966500000000 ] - [ 0.0000000000000000, 0.0011201800000000, -0.0001792000000000 ] - [ 0.0002036400000000, -0.0004424200000000, 0.0000201500000000 ] - [ -0.0002036400000000, -0.0004424200000000, 0.0000201500000000 ] - [ 0.0000000000000000, -0.0006528600000000, -0.0008625600000000 ] - [ 0.0000000000000000, -0.0007276200000000, 0.0000613500000000 ] - [ 0.0009674700000000, 0.0004319500000000, -0.0005970600000000 ] - [ -0.0009674700000000, 0.0004319500000000, -0.0005970600000000 ] - [ 0.0000000000000000, -0.0009939700000000, -0.0007996600000000 ] - [ 0.0000000000000000, 0.0001018700000000, 0.0000791200000000 ] - [ -0.0006590700000000, 0.0000472100000000, 0.0007351600000000 ] - [ 0.0006590700000000, 0.0000472100000000, 0.0007351600000000 ] - [ 0.0000000000000000, 0.1003023100000000, -0.0446539000000000 ] - [ 0.0000000000000000, -0.0137093800000000, 0.0002855900000000 ] - [ -0.0007913300000000, 0.0006533800000000, 0.0011258400000000 ] - [ 0.0007913300000000, 0.0006533800000000, 0.0011258400000000 ] - [ 0.0000000000000000, 0.0000403500000000, 0.0002046500000000 ] - [ 0.0000000000000000, -0.0001323900000000, 0.0005398300000000 ] - [ 0.0009256100000000, 0.0004565700000000, -0.0008883300000000 ] - [ -0.0009256100000000, 0.0004565700000000, -0.0008883300000000 ] - [ 0.0000000000000000, 0.0004274800000000, -0.0007195800000000 ] - [ 0.0000000000000000, 0.0022529300000000, 0.0021707000000000 ] - [ -0.0024875700000000, -0.0014098600000000, 0.0051400800000000 ] - [ 0.0024875700000000, -0.0014098600000000, 0.0051400800000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0004375300000000, -0.0009922000000000, 0.0035302700000000 ] - [ 0.0004827000000000, 0.0007693800000000, 0.0013234900000000 ] - [ 0.0001267000000000, -0.0000010100000000, -0.0004229000000000 ] - [ -0.0006662500000000, 0.0001176000000000, -0.0005830200000000 ] - [ -0.0004827000000000, 0.0007693800000000, 0.0013234900000000 ] - [ -0.0004375300000000, -0.0009922000000000, 0.0035302700000000 ] - [ 0.0006662500000000, 0.0001176000000000, -0.0005830200000000 ] - [ -0.0001267000000000, -0.0000010100000000, -0.0004229000000000 ] - [ 0.0000000000000000, 0.0000256000000000, -0.0005330000000000 ] - [ 0.0000000000000000, 0.0001366700000000, 0.0008355600000000 ] - [ 0.0000000000000000, 0.0008813000000000, 0.0035300000000000 ] - [ 0.0000000000000000, -0.0000179300000000, -0.0018999200000000 ] - [ -0.0002688900000000, 0.0009481500000000, -0.0017169100000000 ] - [ 0.0004392800000000, -0.0004640000000000, -0.0011790100000000 ] - [ -0.0011733700000000, 0.0003574900000000, 0.0017433700000000 ] - [ 0.0004449800000000, -0.0000611700000000, 0.0003729000000000 ] - [ -0.0004449800000000, -0.0000611700000000, 0.0003729000000000 ] - [ 0.0011733700000000, 0.0003574900000000, 0.0017433700000000 ] - [ -0.0004392800000000, -0.0004640000000000, -0.0011790100000000 ] - [ 0.0002688900000000, 0.0009481500000000, -0.0017169100000000 ] - [ 0.0000000000000000, -0.0032864500000000, -0.0026008900000000 ] - [ 0.0000000000000000, -0.0364338600000000, 0.0396897500000000 ] - [ 0.0000000000000000, -0.0005058500000000, -0.0010638300000000 ] - [ 0.0000000000000000, 0.0004349200000000, 0.0019303200000000 ] - [ 0.0000000000000000, -0.0002667500000000, 0.0040136900000000 ] - [ 0.0000000000000000, -0.0017869300000000, -0.0017680800000000 ] - [ 0.0000000000000000, 0.0004481100000000, -0.0016836900000000 ] - [ 0.0000000000000000, 0.0000468000000000, -0.0016342100000000 ] - [ 0.0007435500000000, 0.0002163100000000, 0.0010227600000000 ] - [ -0.0007435500000000, 0.0002163100000000, 0.0010227600000000 ] - [ 0.0000000000000000, 0.0021234800000000, 0.0022349700000000 ] - [ 0.0000000000000000, -0.0002564300000000, 0.0004622700000000 ] - [ -0.0015563100000000, 0.0011620800000000, -0.0004587500000000 ] - [ 0.0015563100000000, 0.0011620800000000, -0.0004587500000000 ] - [ 0.0000000000000000, -0.0009654600000000, -0.0000148000000000 ] - [ 0.0000000000000000, 0.0000553700000000, 0.0001427700000000 ] - [ -0.0007866700000000, -0.0000567200000000, 0.0008031900000000 ] - [ 0.0007866700000000, -0.0000567200000000, 0.0008031900000000 ] - [ 0.0000000000000000, 0.0448179700000000, -0.0712932500000000 ] - [ 0.0000000000000000, 0.0003802800000000, -0.0036943800000000 ] - [ -0.0012644600000000, 0.0006967000000000, 0.0021838700000000 ] - [ 0.0012644600000000, 0.0006967000000000, 0.0021838700000000 ] - [ 0.0000000000000000, -0.0000465500000000, 0.0005443600000000 ] - [ 0.0000000000000000, 0.0000411500000000, 0.0009433600000000 ] - [ 0.0001075900000000, 0.0000816600000000, -0.0006005300000000 ] - [ -0.0001075900000000, 0.0000816600000000, -0.0006005300000000 ] - [ 0.0000000000000000, 0.0009103400000000, 0.0010772800000000 ] - [ 0.0000000000000000, 0.0020706500000000, 0.0067625800000000 ] - [ -0.0048801100000000, -0.0071774700000000, 0.0059908400000000 ] - [ 0.0048801100000000, -0.0071774700000000, 0.0059908400000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0009456000000000, 0.0013346000000000, -0.0033294800000000 ] - [ -0.0000427600000000, -0.0011097100000000, -0.0010876200000000 ] - [ 0.0002078400000000, 0.0004361700000000, 0.0006587900000000 ] - [ 0.0003250000000000, -0.0005489900000000, 0.0008239500000000 ] - [ 0.0000427600000000, -0.0011097100000000, -0.0010876200000000 ] - [ 0.0009456000000000, 0.0013346000000000, -0.0033294800000000 ] - [ -0.0003250000000000, -0.0005489900000000, 0.0008239500000000 ] - [ -0.0002078400000000, 0.0004361700000000, 0.0006587900000000 ] - [ 0.0000000000000000, -0.0000260400000000, 0.0009263000000000 ] - [ 0.0000000000000000, -0.0001367600000000, -0.0004328000000000 ] - [ 0.0000000000000000, -0.0006746700000000, -0.0036225000000000 ] - [ 0.0000000000000000, 0.0000182900000000, 0.0016139000000000 ] - [ -0.0000624600000000, -0.0005464200000000, 0.0013807600000000 ] - [ -0.0001102300000000, 0.0000600000000000, 0.0008332500000000 ] - [ 0.0006465300000000, -0.0007272800000000, -0.0020025900000000 ] - [ -0.0000361400000000, 0.0003911100000000, -0.0007048200000000 ] - [ 0.0000361400000000, 0.0003911100000000, -0.0007048200000000 ] - [ -0.0006465300000000, -0.0007272800000000, -0.0020025900000000 ] - [ 0.0001102300000000, 0.0000600000000000, 0.0008332500000000 ] - [ 0.0000624600000000, -0.0005464200000000, 0.0013807600000000 ] - [ 0.0000000000000000, 0.0032722400000000, 0.0025584900000000 ] - [ 0.0000000000000000, 0.0378698000000000, -0.0403885200000000 ] - [ 0.0000000000000000, 0.0004979300000000, 0.0015095900000000 ] - [ 0.0000000000000000, -0.0004340100000000, -0.0015037900000000 ] - [ 0.0000000000000000, 0.0002758400000000, -0.0034450000000000 ] - [ 0.0000000000000000, 0.0017995000000000, 0.0023075400000000 ] - [ 0.0000000000000000, -0.0007425600000000, 0.0011439800000000 ] - [ 0.0000000000000000, 0.0002453600000000, 0.0010920200000000 ] - [ -0.0004508300000000, -0.0002196900000000, -0.0015586600000000 ] - [ 0.0004508300000000, -0.0002196900000000, -0.0015586600000000 ] - [ 0.0000000000000000, -0.0019216700000000, -0.0028109200000000 ] - [ 0.0000000000000000, 0.0000277500000000, -0.0010037200000000 ] - [ 0.0017756200000000, -0.0011572000000000, -0.0000908200000000 ] - [ -0.0017756200000000, -0.0011572000000000, -0.0000908200000000 ] - [ 0.0000000000000000, 0.0014064900000000, 0.0007087600000000 ] - [ 0.0000000000000000, -0.0004879700000000, 0.0005484900000000 ] - [ 0.0003534600000000, 0.0000604700000000, -0.0001197800000000 ] - [ -0.0003534600000000, 0.0000604700000000, -0.0001197800000000 ] - [ 0.0000000000000000, -0.0469763900000000, 0.0719236900000000 ] - [ 0.0000000000000000, 0.0000368200000000, 0.0039290000000000 ] - [ 0.0007646600000000, -0.0006936600000000, -0.0019532800000000 ] - [ -0.0007646600000000, -0.0006936600000000, -0.0019532800000000 ] - [ 0.0000000000000000, -0.0002692900000000, -0.0006374600000000 ] - [ 0.0000000000000000, 0.0002738500000000, -0.0010331700000000 ] - [ 0.0002062900000000, -0.0000811600000000, 0.0005152600000000 ] - [ -0.0002062900000000, -0.0000811600000000, 0.0005152600000000 ] - [ 0.0000000000000000, -0.0006070000000000, -0.0011431400000000 ] - [ 0.0000000000000000, -0.0023681400000000, -0.0067641800000000 ] - [ 0.0052518200000000, 0.0072620700000000, -0.0061032400000000 ] - [ -0.0052518200000000, 0.0072620700000000, -0.0061032400000000 ]- atom: 43 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002304700000000, 0.0000550600000000, 0.0001807600000000 ] - [ 0.0001839000000000, -0.0003060200000000, -0.0000161400000000 ] - [ 0.0002893500000000, 0.0008869000000000, -0.0001926200000000 ] - [ 0.0204638100000000, -0.0006235900000000, -0.0003096700000000 ] - [ -0.0002479000000000, -0.0000292100000000, 0.0002606700000000 ] - [ 0.0002037800000000, 0.0002824100000000, 0.0000510200000000 ] - [ 0.0217938600000000, 0.0003299500000000, 0.0005979500000000 ] - [ -0.0000596700000000, -0.0004541700000000, 0.0004299100000000 ] - [ 0.0010454300000000, 0.0000217700000000, 0.0001996100000000 ] - [ 0.0019127300000000, -0.0000007600000000, 0.0001945700000000 ] - [ -0.0001852000000000, -0.0000001900000000, -0.0001458700000000 ] - [ 0.0000811600000000, 0.0000000300000000, -0.0001415000000000 ] - [ -0.0000931100000000, 0.0004780200000000, -0.0003170800000000 ] - [ 0.0002698600000000, 0.0002022900000000, 0.0001519100000000 ] - [ -0.0007097300000000, -0.0010148500000000, 0.0006651500000000 ] - [ -0.0001698500000000, -0.0012048200000000, -0.0002560000000000 ] - [ -0.0005744900000000, 0.0015231300000000, -0.0000907300000000 ] - [ -0.0003038200000000, 0.0006845600000000, -0.0010044100000000 ] - [ -0.0000585800000000, -0.0006113300000000, -0.0004953600000000 ] - [ 0.0002330900000000, -0.0000722200000000, -0.0000140500000000 ] - [ 0.0005083800000000, -0.0000043200000000, -0.0000248700000000 ] - [ 0.0004267700000000, 0.0000010400000000, -0.0000200600000000 ] - [ 0.0250263000000000, 0.0002273900000000, 0.0003716800000000 ] - [ 0.0011360100000000, 0.0000138200000000, 0.0002217500000000 ] - [ 0.0018133400000000, 0.0000029900000000, 0.0002802600000000 ] - [ -0.0044436900000000, -0.0000181300000000, 0.0002876900000000 ] - [ -0.0012292500000000, -0.0001470400000000, -0.0002695000000000 ] - [ -0.0004034800000000, 0.0001465100000000, -0.0002675000000000 ] - [ 0.0049993900000000, 0.0006355500000000, 0.0022901800000000 ] - [ 0.0046771000000000, -0.0006230100000000, -0.0028217300000000 ] - [ 0.0004893000000000, 0.0001112300000000, -0.0002748300000000 ] - [ 0.0016374400000000, -0.0001190700000000, -0.0002636700000000 ] - [ -0.0000777300000000, 0.0011296500000000, -0.0012041400000000 ] - [ -0.0002984500000000, -0.0011187400000000, 0.0006537900000000 ] - [ -0.0002834200000000, 0.0002118800000000, 0.0003394000000000 ] - [ -0.0003591800000000, -0.0002243800000000, 0.0003472400000000 ] - [ 0.0020507400000000, -0.0090822500000000, -0.0098578900000000 ] - [ 0.0024758300000000, 0.0090472400000000, 0.0104662800000000 ] - [ 0.0001043000000000, -0.0002497500000000, 0.0001134300000000 ] - [ 0.0002727700000000, 0.0002502000000000, 0.0001142900000000 ] - [ -0.0007078200000000, 0.0000635600000000, 0.0001882300000000 ] - [ -0.0001998000000000, -0.0000782600000000, 0.0000249100000000 ] - [ -0.0760029700000000, -0.0005174200000000, -0.0001858400000000 ] - [ -0.0056355800000000, 0.0001968600000000, -0.0000415300000000 ] - [ -0.0003717300000000, 0.0000303500000000, 0.0002625000000000 ] - [ -0.0006836200000000, -0.0000351200000000, -0.0003476600000000 ] - [ 0.0001925800000000, 0.0001537600000000, -0.0000323200000000 ] - [ 0.0010357700000000, -0.0001508800000000, -0.0000323600000000 ] - [ 0.0001550900000000, -0.0001286200000000, -0.0000468600000000 ] - [ -0.0001485300000000, 0.0001279900000000, -0.0000190000000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003880400000000, 0.0001746700000000, -0.0000571000000000 ] - [ 0.0002034400000000, -0.0001781200000000, 0.0001374100000000 ] - [ 0.0020385200000000, -0.0002058000000000, 0.0005817000000000 ] - [ 0.0002106900000000, 0.0001717200000000, 0.0011713400000000 ] - [ -0.0002034400000000, -0.0001781200000000, 0.0001374100000000 ] - [ 0.0003880400000000, 0.0001746700000000, -0.0000571000000000 ] - [ -0.0002106900000000, 0.0001717200000000, 0.0011713400000000 ] - [ -0.0020385200000000, -0.0002058000000000, 0.0005817000000000 ] - [ 0.0000000000000000, 0.0070358300000000, -0.0019901100000000 ] - [ 0.0000000000000000, 0.0001199800000000, -0.0006620400000000 ] - [ 0.0000000000000000, -0.0000166400000000, 0.0000010400000000 ] - [ 0.0000000000000000, 0.0001562400000000, -0.0004216000000000 ] - [ 0.0001307000000000, 0.0000112600000000, -0.0001736900000000 ] - [ 0.0012315400000000, -0.0002328600000000, -0.0012227500000000 ] - [ -0.0003940900000000, 0.0006254200000000, 0.0003310600000000 ] - [ 0.0000202300000000, -0.0010509200000000, -0.0004093800000000 ] - [ -0.0000202300000000, -0.0010509200000000, -0.0004093800000000 ] - [ 0.0003940900000000, 0.0006254200000000, 0.0003310600000000 ] - [ -0.0012315400000000, -0.0002328600000000, -0.0012227500000000 ] - [ -0.0001307000000000, 0.0000112600000000, -0.0001736900000000 ] - [ 0.0000000000000000, -0.0000885400000000, 0.0010243700000000 ] - [ 0.0000000000000000, 0.0000823000000000, -0.0003180800000000 ] - [ 0.0000000000000000, 0.1010485600000000, 0.0540116200000000 ] - [ 0.0000000000000000, 0.0026858400000000, -0.0002481300000000 ] - [ 0.0000000000000000, -0.0000735600000000, 0.0016285200000000 ] - [ 0.0000000000000000, -0.0001864800000000, 0.0005761100000000 ] - [ 0.0000000000000000, 0.0004271400000000, -0.0006556500000000 ] - [ 0.0000000000000000, -0.0001212300000000, -0.0003220900000000 ] - [ -0.0008833100000000, -0.0007635500000000, -0.0011354300000000 ] - [ 0.0008833100000000, -0.0007635500000000, -0.0011354300000000 ] - [ 0.0000000000000000, -0.0001806900000000, -0.0005520800000000 ] - [ 0.0000000000000000, 0.0002982900000000, -0.0003223300000000 ] - [ 0.0005960800000000, 0.0019852900000000, -0.0015659900000000 ] - [ -0.0005960800000000, 0.0019852900000000, -0.0015659900000000 ] - [ 0.0000000000000000, -0.0001705600000000, -0.0000768900000000 ] - [ 0.0000000000000000, -0.0022649300000000, 0.0020808800000000 ] - [ -0.0033359400000000, 0.0015708400000000, 0.0060194200000000 ] - [ 0.0033359400000000, 0.0015708400000000, 0.0060194200000000 ] - [ 0.0000000000000000, -0.0004438600000000, 0.0002241200000000 ] - [ 0.0000000000000000, 0.0005348200000000, 0.0002277200000000 ] - [ 0.0005281200000000, 0.0016934700000000, 0.0001650400000000 ] - [ -0.0005281200000000, 0.0016934700000000, 0.0001650400000000 ] - [ 0.0000000000000000, -0.1317785800000000, -0.0637098700000000 ] - [ 0.0000000000000000, 0.0156445500000000, 0.0016367600000000 ] - [ -0.0003390900000000, -0.0005277000000000, 0.0005660800000000 ] - [ 0.0003390900000000, -0.0005277000000000, 0.0005660800000000 ] - [ 0.0000000000000000, 0.0008455500000000, -0.0006328200000000 ] - [ 0.0000000000000000, -0.0001467700000000, -0.0005989400000000 ] - [ 0.0000145600000000, 0.0000226300000000, 0.0001420200000000 ] - [ -0.0000145600000000, 0.0000226300000000, 0.0001420200000000 ]- atom: 43 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000473000000000, 0.0001616400000000, 0.0002934400000000 ] - [ 0.0002233300000000, -0.0001701700000000, 0.0001107700000000 ] - [ -0.0017131300000000, 0.0006323200000000, -0.0003500600000000 ] - [ -0.0004950700000000, -0.0006023000000000, -0.0009366300000000 ] - [ -0.0002233300000000, -0.0001701700000000, 0.0001107700000000 ] - [ 0.0000473000000000, 0.0001616400000000, 0.0002934400000000 ] - [ 0.0004950700000000, -0.0006023000000000, -0.0009366300000000 ] - [ 0.0017131300000000, 0.0006323200000000, -0.0003500600000000 ] - [ 0.0000000000000000, -0.0071754700000000, 0.0025486000000000 ] - [ 0.0000000000000000, -0.0001182100000000, 0.0010632000000000 ] - [ 0.0000000000000000, 0.0000190200000000, -0.0002888400000000 ] - [ 0.0000000000000000, -0.0001556000000000, 0.0001318900000000 ] - [ -0.0004633700000000, 0.0003859400000000, -0.0001650900000000 ] - [ -0.0008962000000000, -0.0001610800000000, 0.0008742300000000 ] - [ -0.0000090800000000, -0.0009533800000000, -0.0006732600000000 ] - [ 0.0003851300000000, 0.0013770600000000, 0.0000663500000000 ] - [ -0.0003851300000000, 0.0013770600000000, 0.0000663500000000 ] - [ 0.0000090800000000, -0.0009533800000000, -0.0006732600000000 ] - [ 0.0008962000000000, -0.0001610800000000, 0.0008742300000000 ] - [ 0.0004633700000000, 0.0003859400000000, -0.0001650900000000 ] - [ 0.0000000000000000, 0.0001013300000000, -0.0010553900000000 ] - [ 0.0000000000000000, -0.0000807900000000, 0.0002846100000000 ] - [ 0.0000000000000000, -0.1050760200000000, -0.0568296400000000 ] - [ 0.0000000000000000, -0.0026882800000000, 0.0007116700000000 ] - [ 0.0000000000000000, 0.0000753000000000, -0.0010700900000000 ] - [ 0.0000000000000000, 0.0002158100000000, 0.0000148500000000 ] - [ 0.0000000000000000, -0.0007213600000000, 0.0001211400000000 ] - [ 0.0000000000000000, 0.0004199600000000, -0.0002157100000000 ] - [ 0.0011686600000000, 0.0007607100000000, 0.0005832100000000 ] - [ -0.0011686600000000, 0.0007607100000000, 0.0005832100000000 ] - [ 0.0000000000000000, 0.0003978200000000, 0.0000022200000000 ] - [ 0.0000000000000000, -0.0005087200000000, -0.0002414100000000 ] - [ -0.0003608900000000, -0.0019678600000000, 0.0010016300000000 ] - [ 0.0003608900000000, -0.0019678600000000, 0.0010016300000000 ] - [ 0.0000000000000000, 0.0006070700000000, 0.0007566500000000 ] - [ 0.0000000000000000, 0.0018245600000000, -0.0014215300000000 ] - [ 0.0029399600000000, -0.0015658200000000, -0.0054104600000000 ] - [ -0.0029399600000000, -0.0015658200000000, -0.0054104600000000 ] - [ 0.0000000000000000, -0.0000520300000000, -0.0000023400000000 ] - [ 0.0000000000000000, -0.0000377300000000, -0.0000084800000000 ] - [ -0.0010120600000000, -0.0016823100000000, 0.0000624600000000 ] - [ 0.0010120600000000, -0.0016823100000000, 0.0000624600000000 ] - [ 0.0000000000000000, 0.1358995100000000, 0.0669928300000000 ] - [ 0.0000000000000000, -0.0156869900000000, -0.0017669700000000 ] - [ 0.0006582900000000, 0.0005281100000000, -0.0006637000000000 ] - [ -0.0006582900000000, 0.0005281100000000, -0.0006637000000000 ] - [ 0.0000000000000000, -0.0005438000000000, 0.0005666600000000 ] - [ 0.0000000000000000, -0.0001584900000000, 0.0005397100000000 ] - [ 0.0002837600000000, -0.0000213000000000, -0.0002097100000000 ] - [ -0.0002837600000000, -0.0000213000000000, -0.0002097100000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002306700000000, 0.0000895000000000, -0.0004198100000000 ] - [ 0.0001123800000000, -0.0000709600000000, -0.0004751000000000 ] - [ 0.0002919500000000, 0.0000370700000000, 0.0012812300000000 ] - [ 0.0007296000000000, 0.0004905800000000, 0.0008178700000000 ] - [ -0.0001123800000000, -0.0000709600000000, -0.0004751000000000 ] - [ 0.0002306700000000, 0.0000895000000000, -0.0004198100000000 ] - [ -0.0007296000000000, 0.0004905800000000, 0.0008178700000000 ] - [ -0.0002919500000000, 0.0000370700000000, 0.0012812300000000 ] - [ 0.0000000000000000, -0.0006344100000000, 0.0023882600000000 ] - [ 0.0000000000000000, 0.0001457600000000, -0.0015814300000000 ] - [ 0.0000000000000000, -0.0001033300000000, -0.0001498200000000 ] - [ 0.0000000000000000, 0.0001530300000000, -0.0003743200000000 ] - [ 0.0001238800000000, 0.0005634200000000, -0.0003141100000000 ] - [ 0.0005956800000000, -0.0008559900000000, -0.0009718000000000 ] - [ 0.0004762300000000, 0.0009216300000000, -0.0007849000000000 ] - [ -0.0000477600000000, -0.0016656100000000, -0.0004848700000000 ] - [ 0.0000477600000000, -0.0016656100000000, -0.0004848700000000 ] - [ -0.0004762300000000, 0.0009216300000000, -0.0007849000000000 ] - [ -0.0005956800000000, -0.0008559900000000, -0.0009718000000000 ] - [ -0.0001238800000000, 0.0005634200000000, -0.0003141100000000 ] - [ 0.0000000000000000, -0.0001523900000000, 0.0024685500000000 ] - [ 0.0000000000000000, -0.0002212500000000, -0.0013868000000000 ] - [ 0.0000000000000000, 0.0493125800000000, 0.0544829000000000 ] - [ 0.0000000000000000, 0.0015702600000000, -0.0015029200000000 ] - [ 0.0000000000000000, -0.0001576000000000, 0.0008389200000000 ] - [ 0.0000000000000000, -0.0028138400000000, -0.0027615000000000 ] - [ 0.0000000000000000, 0.0003351100000000, 0.0000343900000000 ] - [ 0.0000000000000000, -0.0000569400000000, -0.0000118900000000 ] - [ 0.0019974600000000, 0.0004161900000000, 0.0015578100000000 ] - [ -0.0019974600000000, 0.0004161900000000, 0.0015578100000000 ] - [ 0.0000000000000000, 0.0003729500000000, 0.0000325200000000 ] - [ 0.0000000000000000, -0.0009053700000000, 0.0013451900000000 ] - [ -0.0003575500000000, -0.0009292700000000, -0.0000256400000000 ] - [ 0.0003575500000000, -0.0009292700000000, -0.0000256400000000 ] - [ 0.0000000000000000, -0.0001496100000000, 0.0013569200000000 ] - [ 0.0000000000000000, -0.0013677300000000, 0.0034353100000000 ] - [ -0.0069154600000000, 0.0102394200000000, 0.0068492700000000 ] - [ 0.0069154600000000, 0.0102394200000000, 0.0068492700000000 ] - [ 0.0000000000000000, -0.0004974600000000, 0.0007076200000000 ] - [ 0.0000000000000000, 0.0008300200000000, 0.0011036200000000 ] - [ 0.0005996100000000, 0.0008541300000000, -0.0004434300000000 ] - [ -0.0005996100000000, 0.0008541300000000, -0.0004434300000000 ] - [ 0.0000000000000000, -0.0643519800000000, -0.0692001700000000 ] - [ 0.0000000000000000, -0.0015146000000000, -0.0052325500000000 ] - [ -0.0004564700000000, -0.0003047500000000, 0.0010360400000000 ] - [ 0.0004564700000000, -0.0003047500000000, 0.0010360400000000 ] - [ 0.0000000000000000, 0.0010467400000000, -0.0014553100000000 ] - [ 0.0000000000000000, -0.0003867500000000, -0.0012731000000000 ] - [ 0.0000380600000000, -0.0000119600000000, 0.0007452600000000 ] - [ -0.0000380600000000, -0.0000119600000000, 0.0007452600000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002034300000000, 0.0002458600000000, 0.0006519900000000 ] - [ 0.0003217500000000, -0.0002637500000000, 0.0007164600000000 ] - [ 0.0000523100000000, 0.0003969200000000, -0.0010432200000000 ] - [ -0.0009798200000000, -0.0009210200000000, -0.0005649300000000 ] - [ -0.0003217500000000, -0.0002637500000000, 0.0007164600000000 ] - [ 0.0002034300000000, 0.0002458600000000, 0.0006519900000000 ] - [ 0.0009798200000000, -0.0009210200000000, -0.0005649300000000 ] - [ -0.0000523100000000, 0.0003969200000000, -0.0010432200000000 ] - [ 0.0000000000000000, 0.0004512100000000, -0.0018031600000000 ] - [ 0.0000000000000000, -0.0001462400000000, 0.0019827900000000 ] - [ 0.0000000000000000, 0.0001044800000000, -0.0001363500000000 ] - [ 0.0000000000000000, -0.0001511200000000, 0.0000825800000000 ] - [ -0.0004521600000000, -0.0001616000000000, -0.0000250900000000 ] - [ -0.0002648400000000, 0.0004539800000000, 0.0006216200000000 ] - [ -0.0008766300000000, -0.0012603600000000, 0.0004394200000000 ] - [ 0.0004443200000000, 0.0020018100000000, 0.0001455400000000 ] - [ -0.0004443200000000, 0.0020018100000000, 0.0001455400000000 ] - [ 0.0008766300000000, -0.0012603600000000, 0.0004394200000000 ] - [ 0.0002648400000000, 0.0004539800000000, 0.0006216200000000 ] - [ 0.0004521600000000, -0.0001616000000000, -0.0000250900000000 ] - [ 0.0000000000000000, 0.0001666000000000, -0.0024836500000000 ] - [ 0.0000000000000000, 0.0002235500000000, 0.0013429200000000 ] - [ 0.0000000000000000, -0.0512232700000000, -0.0547909300000000 ] - [ 0.0000000000000000, -0.0015762800000000, 0.0019522300000000 ] - [ 0.0000000000000000, 0.0001571800000000, -0.0003120400000000 ] - [ 0.0000000000000000, 0.0028047800000000, 0.0033066900000000 ] - [ 0.0000000000000000, -0.0006336100000000, -0.0005618400000000 ] - [ 0.0000000000000000, 0.0003557200000000, -0.0005158500000000 ] - [ -0.0017050100000000, -0.0004208100000000, -0.0020883600000000 ] - [ 0.0017050100000000, -0.0004208100000000, -0.0020883600000000 ] - [ 0.0000000000000000, -0.0001506900000000, -0.0005773800000000 ] - [ 0.0000000000000000, 0.0006821700000000, -0.0018868900000000 ] - [ 0.0005814600000000, 0.0009292100000000, -0.0005052200000000 ] - [ -0.0005814600000000, 0.0009292100000000, -0.0005052200000000 ] - [ 0.0000000000000000, 0.0005799900000000, -0.0006678800000000 ] - [ 0.0000000000000000, 0.0009442200000000, -0.0027291000000000 ] - [ 0.0065861400000000, -0.0103690400000000, -0.0062355800000000 ] - [ -0.0065861400000000, -0.0103690400000000, -0.0062355800000000 ] - [ 0.0000000000000000, -0.0000006500000000, -0.0004792600000000 ] - [ 0.0000000000000000, -0.0003348300000000, -0.0008777200000000 ] - [ -0.0010857000000000, -0.0008423000000000, 0.0006670700000000 ] - [ 0.0010857000000000, -0.0008423000000000, 0.0006670700000000 ] - [ 0.0000000000000000, 0.0663148900000000, 0.0697155300000000 ] - [ 0.0000000000000000, 0.0018898100000000, 0.0051652900000000 ] - [ 0.0007741700000000, 0.0003051800000000, -0.0011281300000000 ] - [ -0.0007741700000000, 0.0003051800000000, -0.0011281300000000 ] - [ 0.0000000000000000, -0.0007487400000000, 0.0013848300000000 ] - [ 0.0000000000000000, 0.0000790500000000, 0.0012011700000000 ] - [ 0.0002641100000000, 0.0000118000000000, -0.0008075700000000 ] - [ -0.0002641100000000, 0.0000118000000000, -0.0008075700000000 ]- atom: 47 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003199200000000, 0.0000244600000000, 0.0001495300000000 ] - [ 0.0001983800000000, -0.0002890000000000, 0.0001443000000000 ] - [ 0.0158133900000000, -0.0028804000000000, -0.0105900300000000 ] - [ -0.0001002700000000, 0.0004577700000000, 0.0006780400000000 ] - [ -0.0002365100000000, -0.0000458700000000, 0.0001014500000000 ] - [ 0.0001192400000000, 0.0003111100000000, 0.0000863000000000 ] - [ 0.0002315100000000, -0.0008908800000000, -0.0004370200000000 ] - [ 0.0160626100000000, 0.0035304300000000, 0.0112992100000000 ] - [ -0.0002211900000000, -0.0000000500000000, 0.0001986700000000 ] - [ -0.0001293500000000, 0.0000010500000000, 0.0001973100000000 ] - [ 0.0013041500000000, 0.0000174100000000, -0.0001430300000000 ] - [ 0.0015346600000000, -0.0000001400000000, -0.0001400400000000 ] - [ -0.0002553600000000, 0.0007280600000000, 0.0004929100000000 ] - [ 0.0000893000000000, 0.0006925600000000, -0.0010489500000000 ] - [ 0.0000996900000000, -0.0003771800000000, -0.0002442600000000 ] - [ 0.0010796100000000, -0.0013011300000000, 0.0010836600000000 ] - [ 0.0006431100000000, 0.0016274200000000, -0.0014786600000000 ] - [ 0.0005106600000000, 0.0000480900000000, -0.0001025800000000 ] - [ -0.0002384400000000, -0.0010998800000000, 0.0007134100000000 ] - [ 0.0000741100000000, -0.0003233700000000, -0.0008248300000000 ] - [ 0.0176721300000000, 0.0001615800000000, -0.0001426100000000 ] - [ 0.0009618800000000, 0.0000078300000000, -0.0000166600000000 ] - [ -0.0012875000000000, -0.0000038100000000, 0.0002244600000000 ] - [ 0.0003790100000000, 0.0000008400000000, 0.0002262300000000 ] - [ -0.0053151400000000, -0.0000268800000000, 0.0002735100000000 ] - [ 0.0019311100000000, 0.0000006100000000, 0.0002803200000000 ] - [ 0.0009287300000000, -0.0001482900000000, -0.0002669800000000 ] - [ 0.0022278100000000, 0.0001382200000000, -0.0002855400000000 ] - [ -0.0001976700000000, -0.0005366400000000, -0.0009929900000000 ] - [ -0.0004970500000000, 0.0005361200000000, 0.0004528000000000 ] - [ -0.0008236800000000, 0.0001100700000000, -0.0002745300000000 ] - [ -0.0004367800000000, -0.0001100100000000, -0.0002756900000000 ] - [ 0.0067711800000000, 0.0003884600000000, 0.0034258600000000 ] - [ 0.0065998000000000, -0.0003972600000000, -0.0040005200000000 ] - [ 0.0000366000000000, 0.0002138700000000, 0.0003397000000000 ] - [ 0.0000904200000000, -0.0002137700000000, 0.0003393000000000 ] - [ 0.0010002900000000, -0.0012897700000000, 0.0006702700000000 ] - [ 0.0014245500000000, 0.0012924300000000, 0.0000129500000000 ] - [ -0.0003774800000000, -0.0002499500000000, 0.0001144200000000 ] - [ -0.0007310700000000, 0.0002409100000000, 0.0001094600000000 ] - [ 0.0011607900000000, 0.0059432500000000, -0.0070939300000000 ] - [ 0.0016504300000000, -0.0059450600000000, 0.0073448600000000 ] - [ 0.0001926000000000, -0.0001557400000000, -0.0000451700000000 ] - [ 0.0010359500000000, 0.0001581000000000, -0.0000471700000000 ] - [ 0.0001808100000000, 0.0001274500000000, -0.0000354000000000 ] - [ -0.0001358800000000, -0.0001294000000000, -0.0000592600000000 ] - [ -0.0656748200000000, -0.0002253100000000, -0.0003058700000000 ] - [ -0.0040051200000000, -0.0001158100000000, -0.0000342100000000 ] - [ -0.0003589200000000, 0.0000516900000000, 0.0005740300000000 ] - [ -0.0006623500000000, -0.0000541800000000, -0.0006470200000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002632500000000, 0.0000936000000000, -0.0000028400000000 ] - [ -0.0000675200000000, -0.0001300900000000, 0.0002644100000000 ] - [ -0.0027860300000000, 0.0019336000000000, 0.0016115400000000 ] - [ 0.0014299200000000, -0.0012002600000000, 0.0005831700000000 ] - [ 0.0000675200000000, -0.0001300900000000, 0.0002644100000000 ] - [ 0.0002632500000000, 0.0000936000000000, -0.0000028400000000 ] - [ -0.0014299200000000, -0.0012002600000000, 0.0005831700000000 ] - [ 0.0027860300000000, 0.0019336000000000, 0.0016115400000000 ] - [ 0.0000000000000000, 0.0000032900000000, 0.0000029900000000 ] - [ 0.0000000000000000, 0.0001293300000000, 0.0008086900000000 ] - [ 0.0000000000000000, 0.0067968700000000, 0.0026934300000000 ] - [ 0.0000000000000000, 0.0001194100000000, 0.0007370300000000 ] - [ -0.0001014400000000, 0.0009635400000000, 0.0000774200000000 ] - [ 0.0001529900000000, -0.0013059200000000, 0.0002930800000000 ] - [ -0.0011945100000000, -0.0008098400000000, -0.0008518700000000 ] - [ -0.0023867900000000, 0.0013125900000000, 0.0021224300000000 ] - [ 0.0023867900000000, 0.0013125900000000, 0.0021224300000000 ] - [ 0.0011945100000000, -0.0008098400000000, -0.0008518700000000 ] - [ -0.0001529900000000, -0.0013059200000000, 0.0002930800000000 ] - [ 0.0001014400000000, 0.0009635400000000, 0.0000774200000000 ] - [ 0.0000000000000000, 0.0736692200000000, -0.0418439700000000 ] - [ 0.0000000000000000, 0.0025140500000000, 0.0004007200000000 ] - [ 0.0000000000000000, 0.0003788800000000, -0.0022522200000000 ] - [ 0.0000000000000000, 0.0001507900000000, 0.0003851900000000 ] - [ 0.0000000000000000, 0.0008806600000000, -0.0012001200000000 ] - [ 0.0000000000000000, -0.0001677300000000, -0.0014204500000000 ] - [ 0.0000000000000000, -0.0006180100000000, 0.0000121600000000 ] - [ 0.0000000000000000, 0.0008497200000000, 0.0003066600000000 ] - [ -0.0001839300000000, 0.0014767700000000, 0.0010028100000000 ] - [ 0.0001839300000000, 0.0014767700000000, 0.0010028100000000 ] - [ 0.0000000000000000, 0.0007335500000000, 0.0000707400000000 ] - [ 0.0000000000000000, -0.0004652800000000, -0.0000852700000000 ] - [ 0.0017071600000000, -0.0006728200000000, 0.0013437100000000 ] - [ -0.0017071600000000, -0.0006728200000000, 0.0013437100000000 ] - [ 0.0000000000000000, -0.0000290400000000, 0.0003001700000000 ] - [ 0.0000000000000000, 0.0000709000000000, 0.0004201800000000 ] - [ -0.0017605300000000, 0.0018320700000000, 0.0002745200000000 ] - [ 0.0017605300000000, 0.0018320700000000, 0.0002745200000000 ] - [ 0.0000000000000000, -0.0005251400000000, 0.0008725900000000 ] - [ 0.0000000000000000, -0.0021568000000000, -0.0020863200000000 ] - [ 0.0023878900000000, 0.0015339100000000, -0.0049303400000000 ] - [ -0.0023878900000000, 0.0015339100000000, -0.0049303400000000 ] - [ 0.0000000000000000, 0.0005360100000000, 0.0008511700000000 ] - [ 0.0000000000000000, 0.0001624500000000, 0.0001861000000000 ] - [ 0.0002948400000000, 0.0000034700000000, -0.0001612000000000 ] - [ -0.0002948400000000, 0.0000034700000000, -0.0001612000000000 ] - [ 0.0000000000000000, -0.1061621300000000, 0.0406373200000000 ] - [ 0.0000000000000000, 0.0140874900000000, -0.0013146700000000 ] - [ 0.0006488100000000, -0.0005098800000000, -0.0008678900000000 ] - [ -0.0006488100000000, -0.0005098800000000, -0.0008678900000000 ]- atom: 47 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001719200000000, 0.0002405000000000, 0.0002336600000000 ] - [ 0.0005058400000000, -0.0002041500000000, -0.0000243400000000 ] - [ 0.0031388600000000, -0.0015483100000000, -0.0013807600000000 ] - [ -0.0017771900000000, 0.0007637500000000, -0.0003474000000000 ] - [ -0.0005058400000000, -0.0002041500000000, -0.0000243400000000 ] - [ 0.0001719200000000, 0.0002405000000000, 0.0002336600000000 ] - [ 0.0017771900000000, 0.0007637500000000, -0.0003474000000000 ] - [ -0.0031388600000000, -0.0015483100000000, -0.0013807600000000 ] - [ 0.0000000000000000, -0.0000020900000000, 0.0003914500000000 ] - [ 0.0000000000000000, -0.0001289800000000, -0.0004110800000000 ] - [ 0.0000000000000000, -0.0069612500000000, -0.0031626500000000 ] - [ 0.0000000000000000, -0.0001190600000000, -0.0010220600000000 ] - [ -0.0002318300000000, -0.0005591000000000, -0.0004153300000000 ] - [ 0.0001815300000000, 0.0008985900000000, -0.0006363700000000 ] - [ 0.0007970600000000, 0.0004693100000000, 0.0005161900000000 ] - [ 0.0027925700000000, -0.0009513500000000, -0.0024773900000000 ] - [ -0.0027925700000000, -0.0009513500000000, -0.0024773900000000 ] - [ -0.0007970600000000, 0.0004693100000000, 0.0005161900000000 ] - [ -0.0001815300000000, 0.0008985900000000, -0.0006363700000000 ] - [ 0.0002318300000000, -0.0005591000000000, -0.0004153300000000 ] - [ 0.0000000000000000, -0.0764214900000000, 0.0442428200000000 ] - [ 0.0000000000000000, -0.0025273000000000, -0.0004541900000000 ] - [ 0.0000000000000000, -0.0003635700000000, 0.0026812900000000 ] - [ 0.0000000000000000, -0.0001509500000000, 0.0000662500000000 ] - [ 0.0000000000000000, -0.0008693900000000, 0.0017164700000000 ] - [ 0.0000000000000000, 0.0001695300000000, 0.0019578100000000 ] - [ 0.0000000000000000, 0.0003193800000000, -0.0005423100000000 ] - [ 0.0000000000000000, -0.0005482400000000, -0.0008312000000000 ] - [ 0.0004743900000000, -0.0014712500000000, -0.0015240900000000 ] - [ -0.0004743900000000, -0.0014712500000000, -0.0015240900000000 ] - [ 0.0000000000000000, -0.0005021400000000, -0.0006141000000000 ] - [ 0.0000000000000000, 0.0002340300000000, -0.0004567400000000 ] - [ -0.0014723500000000, 0.0006840200000000, -0.0018800800000000 ] - [ 0.0014723500000000, 0.0006840200000000, -0.0018800800000000 ] - [ 0.0000000000000000, 0.0004624300000000, 0.0003879700000000 ] - [ 0.0000000000000000, -0.0005035300000000, 0.0002693300000000 ] - [ 0.0013117300000000, -0.0018265600000000, 0.0004120500000000 ] - [ -0.0013117300000000, -0.0018265600000000, 0.0004120500000000 ] - [ 0.0000000000000000, 0.0000325900000000, -0.0006461100000000 ] - [ 0.0000000000000000, 0.0026501700000000, 0.0023510200000000 ] - [ -0.0029043500000000, -0.0015239700000000, 0.0052000200000000 ] - [ 0.0029043500000000, -0.0015239700000000, 0.0052000200000000 ] - [ 0.0000000000000000, -0.0008547100000000, -0.0009454600000000 ] - [ 0.0000000000000000, 0.0001501700000000, -0.0002805200000000 ] - [ 0.0000257000000000, -0.0000033600000000, 0.0000643300000000 ] - [ -0.0000257000000000, -0.0000033600000000, 0.0000643300000000 ] - [ 0.0000000000000000, 0.1096209700000000, -0.0430506200000000 ] - [ 0.0000000000000000, -0.0146463700000000, 0.0012552300000000 ] - [ -0.0003487700000000, 0.0005117800000000, 0.0008082100000000 ] - [ 0.0003487700000000, 0.0005117800000000, 0.0008082100000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000269600000000, 0.0000891500000000, -0.0004423800000000 ] - [ 0.0005254100000000, -0.0000548200000000, -0.0005915400000000 ] - [ -0.0097395300000000, 0.0016900400000000, 0.0087158000000000 ] - [ -0.0002000900000000, 0.0006791700000000, 0.0016097200000000 ] - [ -0.0005254100000000, -0.0000548200000000, -0.0005915400000000 ] - [ 0.0000269600000000, 0.0000891500000000, -0.0004423800000000 ] - [ 0.0002000900000000, 0.0006791700000000, 0.0016097200000000 ] - [ 0.0097395300000000, 0.0016900400000000, 0.0087158000000000 ] - [ 0.0000000000000000, 0.0000410900000000, 0.0002689500000000 ] - [ 0.0000000000000000, -0.0000946400000000, -0.0002101400000000 ] - [ 0.0000000000000000, 0.0008253400000000, 0.0029323100000000 ] - [ 0.0000000000000000, -0.0001223000000000, -0.0020296600000000 ] - [ 0.0001636100000000, -0.0003891200000000, -0.0012892900000000 ] - [ 0.0000889100000000, 0.0007790200000000, -0.0016777000000000 ] - [ 0.0002482600000000, -0.0004979400000000, -0.0000308700000000 ] - [ 0.0017050000000000, 0.0016578900000000, -0.0015460500000000 ] - [ -0.0017050000000000, 0.0016578900000000, -0.0015460500000000 ] - [ -0.0002482600000000, -0.0004979400000000, -0.0000308700000000 ] - [ -0.0000889100000000, 0.0007790200000000, -0.0016777000000000 ] - [ -0.0001636100000000, -0.0003891200000000, -0.0012892900000000 ] - [ 0.0000000000000000, -0.0392402700000000, 0.0459937100000000 ] - [ 0.0000000000000000, -0.0029536000000000, -0.0025830100000000 ] - [ 0.0000000000000000, -0.0008778300000000, 0.0041160600000000 ] - [ 0.0000000000000000, 0.0002019400000000, -0.0012628200000000 ] - [ 0.0000000000000000, 0.0022281200000000, -0.0031241900000000 ] - [ 0.0000000000000000, 0.0001865600000000, -0.0003033900000000 ] - [ 0.0000000000000000, -0.0002321400000000, 0.0002816300000000 ] - [ 0.0000000000000000, 0.0008511000000000, 0.0013931000000000 ] - [ -0.0003175200000000, 0.0007296100000000, 0.0002003200000000 ] - [ 0.0003175200000000, 0.0007296100000000, 0.0002003200000000 ] - [ 0.0000000000000000, -0.0002422800000000, 0.0002637000000000 ] - [ 0.0000000000000000, -0.0000583600000000, 0.0002967100000000 ] - [ 0.0021440100000000, 0.0001930600000000, 0.0019566900000000 ] - [ -0.0021440100000000, 0.0001930600000000, 0.0019566900000000 ] - [ 0.0000000000000000, 0.0005109600000000, 0.0010321200000000 ] - [ 0.0000000000000000, -0.0007475600000000, 0.0013193400000000 ] - [ 0.0012390000000000, -0.0008730300000000, -0.0008168000000000 ] - [ -0.0012390000000000, -0.0008730300000000, -0.0008168000000000 ] - [ 0.0000000000000000, 0.0004354500000000, 0.0012225200000000 ] - [ 0.0000000000000000, 0.0024729700000000, 0.0068408200000000 ] - [ -0.0054750800000000, -0.0081821700000000, 0.0061786500000000 ] - [ 0.0054750800000000, -0.0081821700000000, 0.0061786500000000 ] - [ 0.0000000000000000, -0.0007604400000000, -0.0014660800000000 ] - [ 0.0000000000000000, 0.0007272100000000, -0.0012847100000000 ] - [ -0.0000144400000000, -0.0000139900000000, 0.0007257300000000 ] - [ 0.0000144400000000, -0.0000139900000000, 0.0007257300000000 ] - [ 0.0000000000000000, 0.0428411200000000, -0.0793265400000000 ] - [ 0.0000000000000000, 0.0011756900000000, -0.0042736900000000 ] - [ -0.0006866400000000, 0.0006090500000000, 0.0019593600000000 ] - [ 0.0006866400000000, 0.0006090500000000, 0.0019593600000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0004080300000000, 0.0002473600000000, 0.0006753600000000 ] - [ -0.0000925700000000, -0.0002828900000000, 0.0008358000000000 ] - [ 0.0098538900000000, -0.0012078600000000, -0.0084617500000000 ] - [ -0.0001266400000000, -0.0011081000000000, -0.0013642400000000 ] - [ 0.0000925700000000, -0.0002828900000000, 0.0008358000000000 ] - [ 0.0004080300000000, 0.0002473600000000, 0.0006753600000000 ] - [ 0.0001266400000000, -0.0011081000000000, -0.0013642400000000 ] - [ -0.0098538900000000, -0.0012078600000000, -0.0084617500000000 ] - [ 0.0000000000000000, -0.0000385500000000, 0.0001263900000000 ] - [ 0.0000000000000000, 0.0000951500000000, 0.0006077700000000 ] - [ 0.0000000000000000, -0.0010171800000000, -0.0033993900000000 ] - [ 0.0000000000000000, 0.0001234400000000, 0.0017409900000000 ] - [ -0.0004945600000000, 0.0007912200000000, 0.0009535300000000 ] - [ 0.0002474600000000, -0.0011817500000000, 0.0013340200000000 ] - [ -0.0006578700000000, 0.0001644600000000, -0.0003140700000000 ] - [ -0.0012647600000000, -0.0013236800000000, 0.0011794900000000 ] - [ 0.0012647600000000, -0.0013236800000000, 0.0011794900000000 ] - [ 0.0006578700000000, 0.0001644600000000, -0.0003140700000000 ] - [ -0.0002474600000000, -0.0011817500000000, 0.0013340200000000 ] - [ 0.0004945600000000, 0.0007912200000000, 0.0009535300000000 ] - [ 0.0000000000000000, 0.0376741500000000, -0.0453070000000000 ] - [ 0.0000000000000000, 0.0029671700000000, 0.0025446800000000 ] - [ 0.0000000000000000, 0.0009000600000000, -0.0036925500000000 ] - [ 0.0000000000000000, -0.0001982200000000, 0.0017155500000000 ] - [ 0.0000000000000000, -0.0022277900000000, 0.0036849400000000 ] - [ 0.0000000000000000, -0.0001926600000000, 0.0008682600000000 ] - [ 0.0000000000000000, -0.0000661600000000, -0.0008177600000000 ] - [ 0.0000000000000000, -0.0005535200000000, -0.0019280800000000 ] - [ 0.0006112600000000, -0.0007288100000000, -0.0007486700000000 ] - [ -0.0006112600000000, -0.0007288100000000, -0.0007486700000000 ] - [ 0.0000000000000000, 0.0004672100000000, -0.0008137900000000 ] - [ 0.0000000000000000, -0.0001633700000000, -0.0008456800000000 ] - [ -0.0019149700000000, -0.0001992600000000, -0.0025032800000000 ] - [ 0.0019149700000000, -0.0001992600000000, -0.0025032800000000 ] - [ 0.0000000000000000, -0.0000796500000000, -0.0003502000000000 ] - [ 0.0000000000000000, 0.0003143900000000, -0.0006358400000000 ] - [ -0.0016776700000000, 0.0008758300000000, 0.0015123500000000 ] - [ 0.0016776700000000, 0.0008758300000000, 0.0015123500000000 ] - [ 0.0000000000000000, -0.0009368700000000, -0.0009980800000000 ] - [ 0.0000000000000000, -0.0019779100000000, -0.0066859300000000 ] - [ 0.0049091700000000, 0.0081018000000000, -0.0059143400000000 ] - [ -0.0049091700000000, 0.0081018000000000, -0.0059143400000000 ] - [ 0.0000000000000000, 0.0004438600000000, 0.0013797200000000 ] - [ 0.0000000000000000, -0.0004164600000000, 0.0011952800000000 ] - [ 0.0003323700000000, 0.0000139400000000, -0.0008209700000000 ] - [ -0.0003323700000000, 0.0000139400000000, -0.0008209700000000 ] - [ 0.0000000000000000, -0.0408227500000000, 0.0787486000000000 ] - [ 0.0000000000000000, -0.0013951600000000, 0.0041976300000000 ] - [ 0.0009908000000000, -0.0006118600000000, -0.0020309800000000 ] - [ -0.0009908000000000, -0.0006118600000000, -0.0020309800000000 ]