# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/fdcc0c7a-24ad-4ecc-8609-66e486018eaf/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 Cs4Mg3F10 / Cmce (64) / materials id 5476](https://mdr.nims.go.jp/datasets/42ca5bf3-dd61-4bb8-8ff4-1a940143d050) ## 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: "Cmce" number: 64 Hall_symbol: "-C 2bc 2"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 3.050721700000000, -7.216906530000000, 0.000000000000000 ] # a - [ 3.050721700000000, 7.216906530000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.633009830000001 ] # c points: - symbol: F # 1 coordinates: [ 0.614273100000000, 0.809770820000000, 0.460492990000000 ] mass: 18.998403 - symbol: F # 2 coordinates: [ 0.809770820000000, 0.614273100000000, 0.539507010000000 ] mass: 18.998403 - symbol: F # 3 coordinates: [ 0.885726900000000, 0.690229180000000, 0.960492990000000 ] mass: 18.998403 - symbol: F # 4 coordinates: [ 0.690229180000000, 0.885726900000000, 0.039507010000000 ] mass: 18.998403 - symbol: F # 5 coordinates: [ 0.385726900000000, 0.190229180000000, 0.539507010000000 ] mass: 18.998403 - symbol: F # 6 coordinates: [ 0.190229180000000, 0.385726900000000, 0.460492990000000 ] mass: 18.998403 - symbol: F # 7 coordinates: [ 0.114273100000000, 0.309770820000000, 0.039507010000000 ] mass: 18.998403 - symbol: F # 8 coordinates: [ 0.309770820000000, 0.114273100000000, 0.960492990000000 ] mass: 18.998403 - symbol: F # 9 coordinates: [ 0.474426960000000, 0.525573040000000, 0.643663170000000 ] mass: 18.998403 - symbol: F # 10 coordinates: [ 0.525573040000000, 0.474426960000000, 0.356336830000000 ] mass: 18.998403 - symbol: F # 11 coordinates: [ 0.025573040000000, 0.974426960000000, 0.143663170000000 ] mass: 18.998403 - symbol: F # 12 coordinates: [ 0.974426960000000, 0.025573040000000, 0.856336830000000 ] mass: 18.998403 - symbol: F # 13 coordinates: [ 0.752006220000000, 0.247993780000000, 0.647530120000000 ] mass: 18.998403 - symbol: F # 14 coordinates: [ 0.247993780000000, 0.752006220000000, 0.352469880000000 ] mass: 18.998403 - symbol: F # 15 coordinates: [ 0.362212760000000, 0.137787240000000, 0.750000000000000 ] mass: 18.998403 - symbol: F # 16 coordinates: [ 0.137787240000000, 0.362212760000000, 0.250000000000000 ] mass: 18.998403 - symbol: F # 17 coordinates: [ 0.637787240000000, 0.862212760000000, 0.250000000000000 ] mass: 18.998403 - symbol: F # 18 coordinates: [ 0.862212760000000, 0.637787240000000, 0.750000000000000 ] mass: 18.998403 - symbol: F # 19 coordinates: [ 0.252006220000000, 0.747993780000000, 0.852469880000000 ] mass: 18.998403 - symbol: F # 20 coordinates: [ 0.747993780000000, 0.252006220000000, 0.147530120000000 ] mass: 18.998403 - symbol: Mg # 21 coordinates: [ 0.619080410000000, 0.380919590000000, 0.656936770000000 ] mass: 24.305000 - symbol: Mg # 22 coordinates: [ 0.380919590000000, 0.619080410000000, 0.343063230000000 ] mass: 24.305000 - symbol: Mg # 23 coordinates: [ 0.880919590000000, 0.119080410000000, 0.156936770000000 ] mass: 24.305000 - symbol: Mg # 24 coordinates: [ 0.119080410000000, 0.880919590000000, 0.843063230000000 ] mass: 24.305000 - symbol: Mg # 25 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 24.305000 - symbol: Mg # 26 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 24.305000 - symbol: Cs # 27 coordinates: [ 0.254931600000000, 0.745068400000000, 0.606914880000000 ] mass: 132.905452 - symbol: Cs # 28 coordinates: [ 0.745068400000000, 0.254931600000000, 0.393085120000000 ] mass: 132.905452 - symbol: Cs # 29 coordinates: [ 0.245068400000000, 0.754931600000000, 0.106914880000000 ] mass: 132.905452 - symbol: Cs # 30 coordinates: [ 0.754931600000000, 0.245068400000000, 0.893085120000000 ] mass: 132.905452 - symbol: Cs # 31 coordinates: [ 0.951609340000000, 0.048390660000000, 0.638786970000000 ] mass: 132.905452 - symbol: Cs # 32 coordinates: [ 0.048390660000000, 0.951609340000000, 0.361213030000000 ] mass: 132.905452 - symbol: Cs # 33 coordinates: [ 0.548390660000000, 0.451609340000000, 0.138786970000000 ] mass: 132.905452 - symbol: Cs # 34 coordinates: [ 0.451609340000000, 0.548390660000000, 0.861213030000000 ] mass: 132.905452 reciprocal_lattice: # without 2pi - [ 0.163895644758419, -0.069281761918565, 0.000000000000000 ] # a* - [ 0.163895644758419, 0.069281761918565, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.073351373795643 ] # c*unit_cell: lattice: - [ 6.101443400000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 14.433813060000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.633009830000001 ] # c points: - symbol: F # 1 coordinates: [ 0.212021960000000, 0.597748860000000, 0.460492990000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 2 coordinates: [ 0.712021960000000, 0.902251140000000, 0.539507010000000 ] mass: 18.998403 reduced_to: 2 - symbol: F # 3 coordinates: [ 0.787978040000000, 0.902251140000000, 0.960492990000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 4 coordinates: [ 0.287978040000000, 0.597748860000000, 0.039507010000000 ] mass: 18.998403 reduced_to: 4 - symbol: F # 5 coordinates: [ 0.287978040000000, 0.902251140000000, 0.539507010000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 6 coordinates: [ 0.787978040000000, 0.597748860000000, 0.460492990000000 ] mass: 18.998403 reduced_to: 6 - symbol: F # 7 coordinates: [ 0.712021960000000, 0.597748860000000, 0.039507010000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 8 coordinates: [ 0.212021960000000, 0.902251140000000, 0.960492990000000 ] mass: 18.998403 reduced_to: 8 - symbol: F # 9 coordinates: [ 0.000000000000000, 0.525573040000000, 0.643663170000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 10 coordinates: [ 0.500000000000000, 0.974426960000000, 0.356336830000000 ] mass: 18.998403 reduced_to: 10 - symbol: F # 11 coordinates: [ 0.000000000000000, 0.974426960000000, 0.143663170000000 ] mass: 18.998403 reduced_to: 11 - symbol: F # 12 coordinates: [ 0.500000000000000, 0.525573040000000, 0.856336830000000 ] mass: 18.998403 reduced_to: 12 - symbol: F # 13 coordinates: [ 0.500000000000000, 0.747993780000000, 0.647530120000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 14 coordinates: [ 0.000000000000000, 0.752006220000000, 0.352469880000000 ] mass: 18.998403 reduced_to: 14 - symbol: F # 15 coordinates: [ 0.250000000000000, 0.887787240000000, 0.750000000000000 ] mass: 18.998403 reduced_to: 15 - symbol: F # 16 coordinates: [ 0.750000000000000, 0.612212760000000, 0.250000000000000 ] mass: 18.998403 reduced_to: 16 - symbol: F # 17 coordinates: [ 0.250000000000000, 0.612212760000000, 0.250000000000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 18 coordinates: [ 0.750000000000000, 0.887787240000000, 0.750000000000000 ] mass: 18.998403 reduced_to: 18 - symbol: F # 19 coordinates: [ 0.000000000000000, 0.747993780000000, 0.852469880000000 ] mass: 18.998403 reduced_to: 19 - symbol: F # 20 coordinates: [ 0.500000000000000, 0.752006220000000, 0.147530120000000 ] mass: 18.998403 reduced_to: 20 - symbol: F # 21 coordinates: [ 0.712021960000000, 0.097748860000000, 0.460492990000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 22 coordinates: [ 0.212021960000000, 0.402251140000000, 0.539507010000000 ] mass: 18.998403 reduced_to: 2 - symbol: F # 23 coordinates: [ 0.287978040000000, 0.402251140000000, 0.960492990000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 24 coordinates: [ 0.787978040000000, 0.097748860000000, 0.039507010000000 ] mass: 18.998403 reduced_to: 4 - symbol: F # 25 coordinates: [ 0.787978040000000, 0.402251140000000, 0.539507010000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 26 coordinates: [ 0.287978040000000, 0.097748860000000, 0.460492990000000 ] mass: 18.998403 reduced_to: 6 - symbol: F # 27 coordinates: [ 0.212021960000000, 0.097748860000000, 0.039507010000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 28 coordinates: [ 0.712021960000000, 0.402251140000000, 0.960492990000000 ] mass: 18.998403 reduced_to: 8 - symbol: F # 29 coordinates: [ 0.500000000000000, 0.025573040000000, 0.643663170000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 30 coordinates: [ 0.000000000000000, 0.474426960000000, 0.356336830000000 ] mass: 18.998403 reduced_to: 10 - symbol: F # 31 coordinates: [ 0.500000000000000, 0.474426960000000, 0.143663170000000 ] mass: 18.998403 reduced_to: 11 - symbol: F # 32 coordinates: [ 0.000000000000000, 0.025573040000000, 0.856336830000000 ] mass: 18.998403 reduced_to: 12 - symbol: F # 33 coordinates: [ 0.000000000000000, 0.247993780000000, 0.647530120000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 34 coordinates: [ 0.500000000000000, 0.252006220000000, 0.352469880000000 ] mass: 18.998403 reduced_to: 14 - symbol: F # 35 coordinates: [ 0.750000000000000, 0.387787240000000, 0.750000000000000 ] mass: 18.998403 reduced_to: 15 - symbol: F # 36 coordinates: [ 0.250000000000000, 0.112212760000000, 0.250000000000000 ] mass: 18.998403 reduced_to: 16 - symbol: F # 37 coordinates: [ 0.750000000000000, 0.112212760000000, 0.250000000000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 38 coordinates: [ 0.250000000000000, 0.387787240000000, 0.750000000000000 ] mass: 18.998403 reduced_to: 18 - symbol: F # 39 coordinates: [ 0.500000000000000, 0.247993780000000, 0.852469880000000 ] mass: 18.998403 reduced_to: 19 - symbol: F # 40 coordinates: [ 0.000000000000000, 0.252006220000000, 0.147530120000000 ] mass: 18.998403 reduced_to: 20 - symbol: Mg # 41 coordinates: [ 0.500000000000000, 0.880919590000000, 0.656936770000000 ] mass: 24.305000 reduced_to: 41 - symbol: Mg # 42 coordinates: [ 0.000000000000000, 0.619080410000000, 0.343063230000000 ] mass: 24.305000 reduced_to: 42 - symbol: Mg # 43 coordinates: [ 0.500000000000000, 0.619080410000000, 0.156936770000000 ] mass: 24.305000 reduced_to: 43 - symbol: Mg # 44 coordinates: [ 0.000000000000000, 0.880919590000000, 0.843063230000000 ] mass: 24.305000 reduced_to: 44 - symbol: Mg # 45 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 24.305000 reduced_to: 45 - symbol: Mg # 46 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 24.305000 reduced_to: 46 - symbol: Mg # 47 coordinates: [ 0.000000000000000, 0.380919590000000, 0.656936770000000 ] mass: 24.305000 reduced_to: 41 - symbol: Mg # 48 coordinates: [ 0.500000000000000, 0.119080410000000, 0.343063230000000 ] mass: 24.305000 reduced_to: 42 - symbol: Mg # 49 coordinates: [ 0.000000000000000, 0.119080410000000, 0.156936770000000 ] mass: 24.305000 reduced_to: 43 - symbol: Mg # 50 coordinates: [ 0.500000000000000, 0.380919590000000, 0.843063230000000 ] mass: 24.305000 reduced_to: 44 - symbol: Mg # 51 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 24.305000 reduced_to: 45 - symbol: Mg # 52 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 24.305000 reduced_to: 46 - symbol: Cs # 53 coordinates: [ 0.000000000000000, 0.745068400000000, 0.606914880000000 ] mass: 132.905452 reduced_to: 53 - symbol: Cs # 54 coordinates: [ 0.500000000000000, 0.754931600000000, 0.393085120000000 ] mass: 132.905452 reduced_to: 54 - symbol: Cs # 55 coordinates: [ 0.000000000000000, 0.754931600000000, 0.106914880000000 ] mass: 132.905452 reduced_to: 55 - symbol: Cs # 56 coordinates: [ 0.500000000000000, 0.745068400000000, 0.893085120000000 ] mass: 132.905452 reduced_to: 56 - symbol: Cs # 57 coordinates: [ 0.500000000000000, 0.548390660000000, 0.638786970000000 ] mass: 132.905452 reduced_to: 57 - symbol: Cs # 58 coordinates: [ 0.000000000000000, 0.951609340000000, 0.361213030000000 ] mass: 132.905452 reduced_to: 58 - symbol: Cs # 59 coordinates: [ 0.500000000000000, 0.951609340000000, 0.138786970000000 ] mass: 132.905452 reduced_to: 59 - symbol: Cs # 60 coordinates: [ 0.000000000000000, 0.548390660000000, 0.861213030000000 ] mass: 132.905452 reduced_to: 60 - symbol: Cs # 61 coordinates: [ 0.500000000000000, 0.245068400000000, 0.606914880000000 ] mass: 132.905452 reduced_to: 53 - symbol: Cs # 62 coordinates: [ 0.000000000000000, 0.254931600000000, 0.393085120000000 ] mass: 132.905452 reduced_to: 54 - symbol: Cs # 63 coordinates: [ 0.500000000000000, 0.254931600000000, 0.106914880000000 ] mass: 132.905452 reduced_to: 55 - symbol: Cs # 64 coordinates: [ 0.000000000000000, 0.245068400000000, 0.893085120000000 ] mass: 132.905452 reduced_to: 56 - symbol: Cs # 65 coordinates: [ 0.000000000000000, 0.048390660000000, 0.638786970000000 ] mass: 132.905452 reduced_to: 57 - symbol: Cs # 66 coordinates: [ 0.500000000000000, 0.451609340000000, 0.361213030000000 ] mass: 132.905452 reduced_to: 58 - symbol: Cs # 67 coordinates: [ 0.000000000000000, 0.451609340000000, 0.138786970000000 ] mass: 132.905452 reduced_to: 59 - symbol: Cs # 68 coordinates: [ 0.500000000000000, 0.048390660000000, 0.861213030000000 ] mass: 132.905452 reduced_to: 60supercell: lattice: - [ 12.202886800000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 14.433813060000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 13.633009830000001 ] # c points: - symbol: F # 1 coordinates: [ 0.106010980000000, 0.597748860000000, 0.460492990000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 2 coordinates: [ 0.606010980000000, 0.597748860000000, 0.460492990000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 3 coordinates: [ 0.356010980000000, 0.902251140000000, 0.539507010000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 4 coordinates: [ 0.856010980000000, 0.902251140000000, 0.539507010000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 5 coordinates: [ 0.393989020000000, 0.902251140000000, 0.960492990000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 6 coordinates: [ 0.893989020000000, 0.902251140000000, 0.960492990000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 7 coordinates: [ 0.143989020000000, 0.597748860000000, 0.039507010000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 8 coordinates: [ 0.643989020000000, 0.597748860000000, 0.039507010000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 9 coordinates: [ 0.143989020000000, 0.902251140000000, 0.539507010000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 10 coordinates: [ 0.643989020000000, 0.902251140000000, 0.539507010000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 11 coordinates: [ 0.393989020000000, 0.597748860000000, 0.460492990000000 ] mass: 18.998403 reduced_to: 11 - symbol: F # 12 coordinates: [ 0.893989020000000, 0.597748860000000, 0.460492990000000 ] mass: 18.998403 reduced_to: 11 - symbol: F # 13 coordinates: [ 0.356010980000000, 0.597748860000000, 0.039507010000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 14 coordinates: [ 0.856010980000000, 0.597748860000000, 0.039507010000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 15 coordinates: [ 0.106010980000000, 0.902251140000000, 0.960492990000000 ] mass: 18.998403 reduced_to: 15 - symbol: F # 16 coordinates: [ 0.606010980000000, 0.902251140000000, 0.960492990000000 ] mass: 18.998403 reduced_to: 15 - symbol: F # 17 coordinates: [ 0.000000000000000, 0.525573040000000, 0.643663170000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 18 coordinates: [ 0.500000000000000, 0.525573040000000, 0.643663170000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 19 coordinates: [ 0.250000000000000, 0.974426960000000, 0.356336830000000 ] mass: 18.998403 reduced_to: 19 - symbol: F # 20 coordinates: [ 0.750000000000000, 0.974426960000000, 0.356336830000000 ] mass: 18.998403 reduced_to: 19 - symbol: F # 21 coordinates: [ 0.000000000000000, 0.974426960000000, 0.143663170000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 22 coordinates: [ 0.500000000000000, 0.974426960000000, 0.143663170000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 23 coordinates: [ 0.250000000000000, 0.525573040000000, 0.856336830000000 ] mass: 18.998403 reduced_to: 23 - symbol: F # 24 coordinates: [ 0.750000000000000, 0.525573040000000, 0.856336830000000 ] mass: 18.998403 reduced_to: 23 - symbol: F # 25 coordinates: [ 0.250000000000000, 0.747993780000000, 0.647530120000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 26 coordinates: [ 0.750000000000000, 0.747993780000000, 0.647530120000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 27 coordinates: [ 0.000000000000000, 0.752006220000000, 0.352469880000000 ] mass: 18.998403 reduced_to: 27 - symbol: F # 28 coordinates: [ 0.500000000000000, 0.752006220000000, 0.352469880000000 ] mass: 18.998403 reduced_to: 27 - symbol: F # 29 coordinates: [ 0.125000000000000, 0.887787240000000, 0.750000000000000 ] mass: 18.998403 reduced_to: 29 - symbol: F # 30 coordinates: [ 0.625000000000000, 0.887787240000000, 0.750000000000000 ] mass: 18.998403 reduced_to: 29 - symbol: F # 31 coordinates: [ 0.375000000000000, 0.612212760000000, 0.250000000000000 ] mass: 18.998403 reduced_to: 31 - symbol: F # 32 coordinates: [ 0.875000000000000, 0.612212760000000, 0.250000000000000 ] mass: 18.998403 reduced_to: 31 - symbol: F # 33 coordinates: [ 0.125000000000000, 0.612212760000000, 0.250000000000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 34 coordinates: [ 0.625000000000000, 0.612212760000000, 0.250000000000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 35 coordinates: [ 0.375000000000000, 0.887787240000000, 0.750000000000000 ] mass: 18.998403 reduced_to: 35 - symbol: F # 36 coordinates: [ 0.875000000000000, 0.887787240000000, 0.750000000000000 ] mass: 18.998403 reduced_to: 35 - symbol: F # 37 coordinates: [ 0.000000000000000, 0.747993780000000, 0.852469880000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 38 coordinates: [ 0.500000000000000, 0.747993780000000, 0.852469880000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 39 coordinates: [ 0.250000000000000, 0.752006220000000, 0.147530120000000 ] mass: 18.998403 reduced_to: 39 - symbol: F # 40 coordinates: [ 0.750000000000000, 0.752006220000000, 0.147530120000000 ] mass: 18.998403 reduced_to: 39 - symbol: F # 41 coordinates: [ 0.356010980000000, 0.097748860000000, 0.460492990000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 42 coordinates: [ 0.856010980000000, 0.097748860000000, 0.460492990000000 ] mass: 18.998403 reduced_to: 1 - symbol: F # 43 coordinates: [ 0.106010980000000, 0.402251140000000, 0.539507010000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 44 coordinates: [ 0.606010980000000, 0.402251140000000, 0.539507010000000 ] mass: 18.998403 reduced_to: 3 - symbol: F # 45 coordinates: [ 0.143989020000000, 0.402251140000000, 0.960492990000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 46 coordinates: [ 0.643989020000000, 0.402251140000000, 0.960492990000000 ] mass: 18.998403 reduced_to: 5 - symbol: F # 47 coordinates: [ 0.393989020000000, 0.097748860000000, 0.039507010000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 48 coordinates: [ 0.893989020000000, 0.097748860000000, 0.039507010000000 ] mass: 18.998403 reduced_to: 7 - symbol: F # 49 coordinates: [ 0.393989020000000, 0.402251140000000, 0.539507010000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 50 coordinates: [ 0.893989020000000, 0.402251140000000, 0.539507010000000 ] mass: 18.998403 reduced_to: 9 - symbol: F # 51 coordinates: [ 0.143989020000000, 0.097748860000000, 0.460492990000000 ] mass: 18.998403 reduced_to: 11 - symbol: F # 52 coordinates: [ 0.643989020000000, 0.097748860000000, 0.460492990000000 ] mass: 18.998403 reduced_to: 11 - symbol: F # 53 coordinates: [ 0.106010980000000, 0.097748860000000, 0.039507010000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 54 coordinates: [ 0.606010980000000, 0.097748860000000, 0.039507010000000 ] mass: 18.998403 reduced_to: 13 - symbol: F # 55 coordinates: [ 0.356010980000000, 0.402251140000000, 0.960492990000000 ] mass: 18.998403 reduced_to: 15 - symbol: F # 56 coordinates: [ 0.856010980000000, 0.402251140000000, 0.960492990000000 ] mass: 18.998403 reduced_to: 15 - symbol: F # 57 coordinates: [ 0.250000000000000, 0.025573040000000, 0.643663170000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 58 coordinates: [ 0.750000000000000, 0.025573040000000, 0.643663170000000 ] mass: 18.998403 reduced_to: 17 - symbol: F # 59 coordinates: [ 0.000000000000000, 0.474426960000000, 0.356336830000000 ] mass: 18.998403 reduced_to: 19 - symbol: F # 60 coordinates: [ 0.500000000000000, 0.474426960000000, 0.356336830000000 ] mass: 18.998403 reduced_to: 19 - symbol: F # 61 coordinates: [ 0.250000000000000, 0.474426960000000, 0.143663170000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 62 coordinates: [ 0.750000000000000, 0.474426960000000, 0.143663170000000 ] mass: 18.998403 reduced_to: 21 - symbol: F # 63 coordinates: [ 0.000000000000000, 0.025573040000000, 0.856336830000000 ] mass: 18.998403 reduced_to: 23 - symbol: F # 64 coordinates: [ 0.500000000000000, 0.025573040000000, 0.856336830000000 ] mass: 18.998403 reduced_to: 23 - symbol: F # 65 coordinates: [ 0.000000000000000, 0.247993780000000, 0.647530120000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 66 coordinates: [ 0.500000000000000, 0.247993780000000, 0.647530120000000 ] mass: 18.998403 reduced_to: 25 - symbol: F # 67 coordinates: [ 0.250000000000000, 0.252006220000000, 0.352469880000000 ] mass: 18.998403 reduced_to: 27 - symbol: F # 68 coordinates: [ 0.750000000000000, 0.252006220000000, 0.352469880000000 ] mass: 18.998403 reduced_to: 27 - symbol: F # 69 coordinates: [ 0.375000000000000, 0.387787240000000, 0.750000000000000 ] mass: 18.998403 reduced_to: 29 - symbol: F # 70 coordinates: [ 0.875000000000000, 0.387787240000000, 0.750000000000000 ] mass: 18.998403 reduced_to: 29 - symbol: F # 71 coordinates: [ 0.125000000000000, 0.112212760000000, 0.250000000000000 ] mass: 18.998403 reduced_to: 31 - symbol: F # 72 coordinates: [ 0.625000000000000, 0.112212760000000, 0.250000000000000 ] mass: 18.998403 reduced_to: 31 - symbol: F # 73 coordinates: [ 0.375000000000000, 0.112212760000000, 0.250000000000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 74 coordinates: [ 0.875000000000000, 0.112212760000000, 0.250000000000000 ] mass: 18.998403 reduced_to: 33 - symbol: F # 75 coordinates: [ 0.125000000000000, 0.387787240000000, 0.750000000000000 ] mass: 18.998403 reduced_to: 35 - symbol: F # 76 coordinates: [ 0.625000000000000, 0.387787240000000, 0.750000000000000 ] mass: 18.998403 reduced_to: 35 - symbol: F # 77 coordinates: [ 0.250000000000000, 0.247993780000000, 0.852469880000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 78 coordinates: [ 0.750000000000000, 0.247993780000000, 0.852469880000000 ] mass: 18.998403 reduced_to: 37 - symbol: F # 79 coordinates: [ 0.000000000000000, 0.252006220000000, 0.147530120000000 ] mass: 18.998403 reduced_to: 39 - symbol: F # 80 coordinates: [ 0.500000000000000, 0.252006220000000, 0.147530120000000 ] mass: 18.998403 reduced_to: 39 - symbol: Mg # 81 coordinates: [ 0.250000000000000, 0.880919590000000, 0.656936770000000 ] mass: 24.305000 reduced_to: 81 - symbol: Mg # 82 coordinates: [ 0.750000000000000, 0.880919590000000, 0.656936770000000 ] mass: 24.305000 reduced_to: 81 - symbol: Mg # 83 coordinates: [ 0.000000000000000, 0.619080410000000, 0.343063230000000 ] mass: 24.305000 reduced_to: 83 - symbol: Mg # 84 coordinates: [ 0.500000000000000, 0.619080410000000, 0.343063230000000 ] mass: 24.305000 reduced_to: 83 - symbol: Mg # 85 coordinates: [ 0.250000000000000, 0.619080410000000, 0.156936770000000 ] mass: 24.305000 reduced_to: 85 - symbol: Mg # 86 coordinates: [ 0.750000000000000, 0.619080410000000, 0.156936770000000 ] mass: 24.305000 reduced_to: 85 - symbol: Mg # 87 coordinates: [ 0.000000000000000, 0.880919590000000, 0.843063230000000 ] mass: 24.305000 reduced_to: 87 - symbol: Mg # 88 coordinates: [ 0.500000000000000, 0.880919590000000, 0.843063230000000 ] mass: 24.305000 reduced_to: 87 - symbol: Mg # 89 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 24.305000 reduced_to: 89 - symbol: Mg # 90 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 24.305000 reduced_to: 89 - symbol: Mg # 91 coordinates: [ 0.250000000000000, 0.500000000000000, 0.000000000000000 ] mass: 24.305000 reduced_to: 91 - symbol: Mg # 92 coordinates: [ 0.750000000000000, 0.500000000000000, 0.000000000000000 ] mass: 24.305000 reduced_to: 91 - symbol: Mg # 93 coordinates: [ 0.000000000000000, 0.380919590000000, 0.656936770000000 ] mass: 24.305000 reduced_to: 81 - symbol: Mg # 94 coordinates: [ 0.500000000000000, 0.380919590000000, 0.656936770000000 ] mass: 24.305000 reduced_to: 81 - symbol: Mg # 95 coordinates: [ 0.250000000000000, 0.119080410000000, 0.343063230000000 ] mass: 24.305000 reduced_to: 83 - symbol: Mg # 96 coordinates: [ 0.750000000000000, 0.119080410000000, 0.343063230000000 ] mass: 24.305000 reduced_to: 83 - symbol: Mg # 97 coordinates: [ 0.000000000000000, 0.119080410000000, 0.156936770000000 ] mass: 24.305000 reduced_to: 85 - symbol: Mg # 98 coordinates: [ 0.500000000000000, 0.119080410000000, 0.156936770000000 ] mass: 24.305000 reduced_to: 85 - symbol: Mg # 99 coordinates: [ 0.250000000000000, 0.380919590000000, 0.843063230000000 ] mass: 24.305000 reduced_to: 87 - symbol: Mg # 100 coordinates: [ 0.750000000000000, 0.380919590000000, 0.843063230000000 ] mass: 24.305000 reduced_to: 87 - symbol: Mg # 101 coordinates: [ 0.250000000000000, 0.000000000000000, 0.500000000000000 ] mass: 24.305000 reduced_to: 89 - symbol: Mg # 102 coordinates: [ 0.750000000000000, 0.000000000000000, 0.500000000000000 ] mass: 24.305000 reduced_to: 89 - symbol: Mg # 103 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 24.305000 reduced_to: 91 - symbol: Mg # 104 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 24.305000 reduced_to: 91 - symbol: Cs # 105 coordinates: [ 0.000000000000000, 0.745068400000000, 0.606914880000000 ] mass: 132.905452 reduced_to: 105 - symbol: Cs # 106 coordinates: [ 0.500000000000000, 0.745068400000000, 0.606914880000000 ] mass: 132.905452 reduced_to: 105 - symbol: Cs # 107 coordinates: [ 0.250000000000000, 0.754931600000000, 0.393085120000000 ] mass: 132.905452 reduced_to: 107 - symbol: Cs # 108 coordinates: [ 0.750000000000000, 0.754931600000000, 0.393085120000000 ] mass: 132.905452 reduced_to: 107 - symbol: Cs # 109 coordinates: [ 0.000000000000000, 0.754931600000000, 0.106914880000000 ] mass: 132.905452 reduced_to: 109 - symbol: Cs # 110 coordinates: [ 0.500000000000000, 0.754931600000000, 0.106914880000000 ] mass: 132.905452 reduced_to: 109 - symbol: Cs # 111 coordinates: [ 0.250000000000000, 0.745068400000000, 0.893085120000000 ] mass: 132.905452 reduced_to: 111 - symbol: Cs # 112 coordinates: [ 0.750000000000000, 0.745068400000000, 0.893085120000000 ] mass: 132.905452 reduced_to: 111 - symbol: Cs # 113 coordinates: [ 0.250000000000000, 0.548390660000000, 0.638786970000000 ] mass: 132.905452 reduced_to: 113 - symbol: Cs # 114 coordinates: [ 0.750000000000000, 0.548390660000000, 0.638786970000000 ] mass: 132.905452 reduced_to: 113 - symbol: Cs # 115 coordinates: [ 0.000000000000000, 0.951609340000000, 0.361213030000000 ] mass: 132.905452 reduced_to: 115 - symbol: Cs # 116 coordinates: [ 0.500000000000000, 0.951609340000000, 0.361213030000000 ] mass: 132.905452 reduced_to: 115 - symbol: Cs # 117 coordinates: [ 0.250000000000000, 0.951609340000000, 0.138786970000000 ] mass: 132.905452 reduced_to: 117 - symbol: Cs # 118 coordinates: [ 0.750000000000000, 0.951609340000000, 0.138786970000000 ] mass: 132.905452 reduced_to: 117 - symbol: Cs # 119 coordinates: [ 0.000000000000000, 0.548390660000000, 0.861213030000000 ] mass: 132.905452 reduced_to: 119 - symbol: Cs # 120 coordinates: [ 0.500000000000000, 0.548390660000000, 0.861213030000000 ] mass: 132.905452 reduced_to: 119 - symbol: Cs # 121 coordinates: [ 0.250000000000000, 0.245068400000000, 0.606914880000000 ] mass: 132.905452 reduced_to: 105 - symbol: Cs # 122 coordinates: [ 0.750000000000000, 0.245068400000000, 0.606914880000000 ] mass: 132.905452 reduced_to: 105 - symbol: Cs # 123 coordinates: [ 0.000000000000000, 0.254931600000000, 0.393085120000000 ] mass: 132.905452 reduced_to: 107 - symbol: Cs # 124 coordinates: [ 0.500000000000000, 0.254931600000000, 0.393085120000000 ] mass: 132.905452 reduced_to: 107 - symbol: Cs # 125 coordinates: [ 0.250000000000000, 0.254931600000000, 0.106914880000000 ] mass: 132.905452 reduced_to: 109 - symbol: Cs # 126 coordinates: [ 0.750000000000000, 0.254931600000000, 0.106914880000000 ] mass: 132.905452 reduced_to: 109 - symbol: Cs # 127 coordinates: [ 0.000000000000000, 0.245068400000000, 0.893085120000000 ] mass: 132.905452 reduced_to: 111 - symbol: Cs # 128 coordinates: [ 0.500000000000000, 0.245068400000000, 0.893085120000000 ] mass: 132.905452 reduced_to: 111 - symbol: Cs # 129 coordinates: [ 0.000000000000000, 0.048390660000000, 0.638786970000000 ] mass: 132.905452 reduced_to: 113 - symbol: Cs # 130 coordinates: [ 0.500000000000000, 0.048390660000000, 0.638786970000000 ] mass: 132.905452 reduced_to: 113 - symbol: Cs # 131 coordinates: [ 0.250000000000000, 0.451609340000000, 0.361213030000000 ] mass: 132.905452 reduced_to: 115 - symbol: Cs # 132 coordinates: [ 0.750000000000000, 0.451609340000000, 0.361213030000000 ] mass: 132.905452 reduced_to: 115 - symbol: Cs # 133 coordinates: [ 0.000000000000000, 0.451609340000000, 0.138786970000000 ] mass: 132.905452 reduced_to: 117 - symbol: Cs # 134 coordinates: [ 0.500000000000000, 0.451609340000000, 0.138786970000000 ] mass: 132.905452 reduced_to: 117 - symbol: Cs # 135 coordinates: [ 0.250000000000000, 0.048390660000000, 0.861213030000000 ] mass: 132.905452 reduced_to: 119 - symbol: Cs # 136 coordinates: [ 0.750000000000000, 0.048390660000000, 0.861213030000000 ] mass: 132.905452 reduced_to: 119displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0659369300000000, -0.0213727100000000, -0.0033761200000000 ] - [ 0.0012472400000000, 0.0001822300000000, 0.0006914600000000 ] - [ -0.0001271200000000, 0.0003081900000000, -0.0003217700000000 ] - [ -0.0001251000000000, -0.0005377600000000, -0.0006835200000000 ] - [ 0.0003367200000000, -0.0000979700000000, 0.0006349800000000 ] - [ 0.0002301000000000, -0.0002116700000000, 0.0006256500000000 ] - [ -0.0001008700000000, 0.0001479900000000, -0.0007230100000000 ] - [ 0.0005626600000000, 0.0001350900000000, -0.0005549600000000 ] - [ -0.0003622700000000, 0.0000281700000000, -0.0003536100000000 ] - [ 0.0006309800000000, -0.0002401300000000, -0.0007123200000000 ] - [ 0.0029397800000000, -0.0000677200000000, 0.0004902100000000 ] - [ 0.0236730700000000, 0.0003520600000000, 0.0004246500000000 ] - [ -0.0002201700000000, 0.0001694700000000, -0.0007627600000000 ] - [ -0.0002182800000000, 0.0001276800000000, -0.0004141000000000 ] - [ -0.0004383700000000, -0.0001629200000000, 0.0006234400000000 ] - [ -0.0001294400000000, -0.0001490900000000, 0.0006399600000000 ] - [ -0.0006016900000000, 0.0010567500000000, -0.0040152600000000 ] - [ 0.0009756100000000, -0.0006213900000000, -0.0004435800000000 ] - [ -0.0001816300000000, 0.0012271600000000, 0.0005433800000000 ] - [ 0.0001411800000000, 0.0002867400000000, 0.0006540100000000 ] - [ -0.0001129800000000, 0.0004501000000000, -0.0005532900000000 ] - [ 0.0001134500000000, 0.0005382900000000, -0.0006646300000000 ] - [ -0.0001983800000000, -0.0006575200000000, 0.0014999400000000 ] - [ 0.0001421400000000, -0.0004622500000000, 0.0003407100000000 ] - [ -0.0002505300000000, 0.0001283800000000, -0.0002280600000000 ] - [ 0.0004815800000000, -0.0012983700000000, -0.0013085000000000 ] - [ -0.0006282100000000, -0.0027330500000000, 0.0031903300000000 ] - [ 0.0011244600000000, 0.0010587800000000, 0.0008872900000000 ] - [ -0.0004362300000000, -0.0006847700000000, -0.0000089300000000 ] - [ 0.0002564000000000, -0.0006477800000000, -0.0000380300000000 ] - [ 0.0005273500000000, 0.0006515200000000, -0.0007269800000000 ] - [ 0.0008252600000000, 0.0004349800000000, 0.0017081500000000 ] - [ -0.0025381500000000, 0.0006009100000000, -0.0009702900000000 ] - [ 0.0007731700000000, 0.0005812400000000, 0.0000400200000000 ] - [ 0.0001100400000000, -0.0004829300000000, 0.0001661700000000 ] - [ 0.0000805200000000, -0.0008559900000000, -0.0002211800000000 ] - [ -0.0001742500000000, -0.0009693700000000, 0.0008105400000000 ] - [ 0.0001732500000000, -0.0008639800000000, 0.0010961100000000 ] - [ -0.0002024600000000, 0.0009772700000000, -0.0015282600000000 ] - [ 0.0002482800000000, 0.0007328200000000, -0.0007501500000000 ] - [ -0.0002194600000000, 0.0001881000000000, 0.0007186800000000 ] - [ -0.0002184800000000, 0.0001799100000000, 0.0006204900000000 ] - [ -0.0025802700000000, -0.0002815600000000, -0.0005957100000000 ] - [ 0.0004933600000000, -0.0001025000000000, -0.0007577200000000 ] - [ -0.0000473200000000, -0.0001983000000000, 0.0007497900000000 ] - [ 0.0004888600000000, -0.0001226500000000, 0.0006320200000000 ] - [ 0.0003288100000000, 0.0001446400000000, -0.0006849100000000 ] - [ 0.0002236900000000, 0.0001585100000000, -0.0006208000000000 ] - [ 0.0009955200000000, -0.0007532700000000, -0.0003581000000000 ] - [ 0.0005788600000000, 0.0014732300000000, -0.0015018600000000 ] - [ -0.0000619500000000, 0.0002181700000000, 0.0006819900000000 ] - [ 0.0005007900000000, 0.0001486600000000, 0.0006613600000000 ] - [ -0.0004105600000000, 0.0001484000000000, -0.0006566800000000 ] - [ -0.0001437500000000, 0.0001542500000000, -0.0006491800000000 ] - [ -0.0002226300000000, -0.0002545700000000, 0.0006954000000000 ] - [ -0.0002216200000000, -0.0000589700000000, 0.0006859000000000 ] - [ -0.0001090200000000, -0.0004133500000000, -0.0004984900000000 ] - [ 0.0001083600000000, -0.0005641000000000, -0.0006592100000000 ] - [ 0.0019756900000000, 0.0094823100000000, 0.0075092200000000 ] - [ 0.0010845700000000, 0.0003039000000000, 0.0004221900000000 ] - [ -0.0002383200000000, 0.0005503300000000, -0.0012555600000000 ] - [ 0.0002616200000000, 0.0005958000000000, -0.0002207900000000 ] - [ -0.0000762600000000, -0.0005353200000000, 0.0005693400000000 ] - [ 0.0000761200000000, -0.0004922600000000, 0.0006184700000000 ] - [ -0.0002667200000000, -0.0007439800000000, -0.0011362500000000 ] - [ 0.0002356400000000, -0.0010337800000000, -0.0009954100000000 ] - [ -0.0002622400000000, -0.0000885300000000, 0.0010767000000000 ] - [ 0.0001862400000000, 0.0013509200000000, 0.0010564400000000 ] - [ 0.0003064500000000, -0.0010954700000000, 0.0003048100000000 ] - [ 0.0000698400000000, -0.0003597400000000, -0.0003680600000000 ] - [ -0.0002967800000000, 0.0006360800000000, -0.0000377300000000 ] - [ 0.0002097900000000, 0.0006560000000000, 0.0000147800000000 ] - [ 0.0001022100000000, 0.0006188000000000, -0.0001001100000000 ] - [ -0.0000175600000000, 0.0006703100000000, 0.0000793600000000 ] - [ -0.0006955200000000, -0.0007854100000000, -0.0000196000000000 ] - [ 0.0003927600000000, -0.0005468500000000, -0.0000352300000000 ] - [ -0.0000860400000000, -0.0010120700000000, 0.0010787800000000 ] - [ 0.0000833300000000, -0.0008567800000000, 0.0009766300000000 ] - [ -0.0001414700000000, 0.0010909200000000, -0.0009451400000000 ] - [ 0.0001467000000000, 0.0008703300000000, -0.0010779200000000 ] - [ 0.0004308500000000, -0.0011079500000000, -0.0002040600000000 ] - [ -0.0004527900000000, -0.0001120100000000, 0.0004117500000000 ] - [ 0.0132694200000000, 0.0011573100000000, 0.0014587600000000 ] - [ -0.0021014900000000, 0.0004585000000000, 0.0004009500000000 ] - [ 0.0004841400000000, 0.0004422600000000, 0.0011589800000000 ] - [ -0.0008803400000000, 0.0005777100000000, -0.0005461300000000 ] - [ 0.0002654000000000, -0.0002927400000000, -0.0000001700000000 ] - [ -0.0002594700000000, -0.0005583000000000, -0.0002899000000000 ] - [ 0.0234459500000000, 0.0125021800000000, -0.0031285300000000 ] - [ -0.0021571700000000, 0.0005670800000000, -0.0001729700000000 ] - [ 0.0002745100000000, 0.0000720800000000, -0.0000426600000000 ] - [ -0.0002996200000000, -0.0000579400000000, -0.0001357100000000 ] - [ 0.0011353300000000, -0.0016079500000000, 0.0009421800000000 ] - [ -0.0009578700000000, -0.0001550800000000, 0.0000559300000000 ] - [ 0.0002342900000000, 0.0005344600000000, -0.0001758900000000 ] - [ -0.0002361400000000, 0.0003663900000000, -0.0002849700000000 ] - [ 0.0002245700000000, 0.0004147100000000, 0.0001645100000000 ] - [ -0.0002282900000000, 0.0004850700000000, 0.0002991900000000 ] - [ 0.0003270600000000, -0.0000149300000000, -0.0006249200000000 ] - [ -0.0003007600000000, -0.0006530900000000, -0.0000207800000000 ] - [ 0.0002983600000000, -0.0004775900000000, -0.0002546700000000 ] - [ -0.0002949800000000, 0.0002202900000000, 0.0000215800000000 ] - [ 0.0001641200000000, 0.0000434100000000, 0.0000030700000000 ] - [ -0.0001651500000000, -0.0000242400000000, 0.0000343200000000 ] - [ 0.0018653800000000, 0.0003393200000000, 0.0005994200000000 ] - [ -0.0008844900000000, -0.0006295700000000, -0.0000864300000000 ] - [ 0.0020472200000000, 0.0009932000000000, -0.0004855600000000 ] - [ -0.0013727600000000, 0.0014691100000000, -0.0004540000000000 ] - [ 0.0003920400000000, 0.0005024400000000, -0.0001363100000000 ] - [ -0.0003490100000000, 0.0003255700000000, 0.0002700300000000 ] - [ 0.0001727300000000, -0.0005261200000000, -0.0002830800000000 ] - [ -0.0001735900000000, -0.0003024200000000, -0.0000605000000000 ] - [ 0.0016673100000000, 0.0008919700000000, -0.0002080900000000 ] - [ -0.0012448600000000, 0.0001720200000000, 0.0008409600000000 ] - [ 0.0004308200000000, -0.0001499300000000, 0.0001643400000000 ] - [ -0.0004731700000000, -0.0006962800000000, 0.0002343500000000 ] - [ 0.0001195100000000, -0.0006355500000000, 0.0000010700000000 ] - [ -0.0001129000000000, -0.0003765100000000, -0.0002704500000000 ] - [ 0.0004062000000000, 0.0004646700000000, 0.0004242400000000 ] - [ -0.0004310700000000, 0.0004725600000000, 0.0000407200000000 ] - [ 0.0002245900000000, -0.0000993500000000, 0.0000335100000000 ] - [ -0.0002720200000000, -0.0006309200000000, 0.0002425100000000 ] - [ 0.0004930600000000, -0.0002064300000000, -0.0001735600000000 ] - [ -0.0004906900000000, 0.0005384200000000, -0.0001348300000000 ] - [ 0.0001383400000000, 0.0004966500000000, 0.0002956200000000 ] - [ -0.0001303500000000, 0.0002632100000000, 0.0000524800000000 ] - [ 0.0001534700000000, -0.0004212500000000, -0.0001241800000000 ] - [ -0.0001550200000000, -0.0003237300000000, -0.0001630000000000 ] - [ 0.0001944900000000, 0.0005448400000000, -0.0001770000000000 ] - [ -0.0001934200000000, 0.0004419400000000, -0.0002448100000000 ] - [ 0.0021276800000000, -0.0005721900000000, -0.0001711300000000 ] - [ -0.0015466600000000, -0.0014158100000000, -0.0003032900000000 ] - [ 0.0005015300000000, -0.0006566700000000, -0.0008595900000000 ] - [ -0.0004667400000000, -0.0004255500000000, -0.0000372500000000 ] - [ 0.0000774400000000, 0.0004769000000000, 0.0001877700000000 ] - [ -0.0000783500000000, 0.0004971600000000, 0.0002306300000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0668989800000000, 0.0225566100000000, 0.0048965900000000 ] - [ -0.0017853900000000, 0.0001108400000000, 0.0005993800000000 ] - [ -0.0004111100000000, -0.0005993100000000, -0.0009666300000000 ] - [ -0.0004092400000000, 0.0002428200000000, -0.0006057300000000 ] - [ 0.0002001100000000, -0.0001945900000000, 0.0006555000000000 ] - [ 0.0003082500000000, -0.0000815500000000, 0.0006648000000000 ] - [ 0.0006355900000000, 0.0001457300000000, -0.0005642000000000 ] - [ -0.0000244500000000, 0.0001581000000000, -0.0007359800000000 ] - [ 0.0008951500000000, -0.0003227900000000, -0.0009353400000000 ] - [ -0.0000921000000000, -0.0000520400000000, -0.0005775400000000 ] - [ -0.0023774100000000, 0.0003585700000000, 0.0007992600000000 ] - [ -0.0236894300000000, -0.0000681200000000, 0.0008683500000000 ] - [ -0.0003190200000000, 0.0001236300000000, -0.0005277300000000 ] - [ -0.0003172800000000, 0.0001653600000000, -0.0008763400000000 ] - [ -0.0000999800000000, -0.0001304100000000, 0.0006670400000000 ] - [ -0.0004071900000000, -0.0001437200000000, 0.0006507500000000 ] - [ 0.0006207900000000, -0.0020597100000000, 0.0027901900000000 ] - [ -0.0009750100000000, -0.0003889700000000, -0.0007618100000000 ] - [ 0.0001801900000000, -0.0002129400000000, 0.0006646000000000 ] - [ -0.0001393400000000, 0.0007233900000000, 0.0005542600000000 ] - [ 0.0001120200000000, 0.0005598300000000, -0.0006534300000000 ] - [ -0.0001138100000000, 0.0004724000000000, -0.0005429800000000 ] - [ 0.0001966800000000, -0.0003535700000000, -0.0002868800000000 ] - [ -0.0001402400000000, -0.0005482600000000, 0.0008673900000000 ] - [ 0.0002444600000000, -0.0019713300000000, -0.0018257000000000 ] - [ -0.0004779700000000, -0.0005455500000000, -0.0007463900000000 ] - [ 0.0006499100000000, 0.0045632400000000, -0.0011279600000000 ] - [ -0.0011221100000000, 0.0007894200000000, 0.0011674800000000 ] - [ 0.0004342400000000, -0.0005748400000000, 0.0000084200000000 ] - [ -0.0002551000000000, -0.0006107200000000, 0.0000384100000000 ] - [ -0.0005298600000000, 0.0006075400000000, 0.0007214800000000 ] - [ -0.0008169300000000, 0.0008237700000000, -0.0017090800000000 ] - [ 0.0025146100000000, 0.0006545700000000, 0.0010197700000000 ] - [ -0.0007716000000000, 0.0006779000000000, -0.0000422700000000 ] - [ -0.0001111600000000, -0.0007753900000000, -0.0001655300000000 ] - [ -0.0000789600000000, -0.0004045700000000, 0.0002197000000000 ] - [ 0.0001742100000000, -0.0008771500000000, 0.0012445300000000 ] - [ -0.0001726300000000, -0.0009810700000000, 0.0009613100000000 ] - [ 0.0001980100000000, 0.0008655600000000, -0.0005294600000000 ] - [ -0.0002470000000000, 0.0011131100000000, -0.0013072600000000 ] - [ -0.0003183300000000, 0.0001060000000000, 0.0005733900000000 ] - [ -0.0003174200000000, 0.0001138800000000, 0.0006707000000000 ] - [ 0.0020377600000000, 0.0000290700000000, -0.0007131800000000 ] - [ -0.0010295100000000, -0.0001925600000000, -0.0005320600000000 ] - [ 0.0005827500000000, -0.0000942500000000, 0.0005413700000000 ] - [ 0.0000493600000000, -0.0001704500000000, 0.0006586600000000 ] - [ 0.0002077600000000, 0.0001485800000000, -0.0006064000000000 ] - [ 0.0003135200000000, 0.0001346300000000, -0.0006701400000000 ] - [ -0.0004588700000000, 0.0004557000000000, -0.0009310400000000 ] - [ -0.0000332900000000, -0.0017671000000000, 0.0002123400000000 ] - [ 0.0005969000000000, 0.0000760100000000, 0.0006097700000000 ] - [ 0.0000377400000000, 0.0001447500000000, 0.0006299100000000 ] - [ -0.0001273900000000, 0.0001446700000000, -0.0006342600000000 ] - [ -0.0003932100000000, 0.0001387400000000, -0.0006418100000000 ] - [ -0.0003152400000000, -0.0000388500000000, 0.0005958100000000 ] - [ -0.0003143100000000, -0.0002336900000000, 0.0006052700000000 ] - [ 0.0001071400000000, -0.0005949500000000, -0.0007088900000000 ] - [ -0.0001079000000000, -0.0004448200000000, -0.0005484200000000 ] - [ -0.0019349900000000, -0.0085071300000000, -0.0063233500000000 ] - [ -0.0010823000000000, 0.0007016000000000, 0.0007828600000000 ] - [ 0.0002342000000000, 0.0004630200000000, 0.0000475300000000 ] - [ -0.0002603300000000, 0.0004147300000000, -0.0009866900000000 ] - [ 0.0000764200000000, -0.0004751600000000, 0.0006371100000000 ] - [ -0.0000756700000000, -0.0005179200000000, 0.0005886100000000 ] - [ 0.0002673900000000, -0.0010987700000000, -0.0009219200000000 ] - [ -0.0002363100000000, -0.0008132000000000, -0.0010605900000000 ] - [ 0.0002601800000000, 0.0019297900000000, 0.0009814000000000 ] - [ -0.0001840100000000, 0.0004939800000000, 0.0010003600000000 ] - [ -0.0003063100000000, -0.0001661200000000, -0.0003035600000000 ] - [ -0.0000664300000000, -0.0008983100000000, 0.0003662200000000 ] - [ 0.0002951700000000, 0.0006233600000000, 0.0000378400000000 ] - [ -0.0002087500000000, 0.0006033700000000, -0.0000148600000000 ] - [ -0.0001027700000000, 0.0006405400000000, 0.0000996100000000 ] - [ 0.0000180500000000, 0.0005891300000000, -0.0000788800000000 ] - [ 0.0006907100000000, -0.0004740300000000, 0.0000160200000000 ] - [ -0.0003920100000000, -0.0007132400000000, 0.0000361200000000 ] - [ 0.0000852600000000, -0.0008337900000000, 0.0009777500000000 ] - [ -0.0000820100000000, -0.0009890300000000, 0.0010800700000000 ] - [ 0.0001404700000000, 0.0007565200000000, -0.0011113100000000 ] - [ -0.0001469900000000, 0.0009754300000000, -0.0009794400000000 ] - [ -0.0004298800000000, 0.0001523300000000, 0.0006592000000000 ] - [ 0.0004453100000000, -0.0008413200000000, 0.0000448600000000 ] - [ -0.0136976400000000, -0.0000865000000000, -0.0025446400000000 ] - [ 0.0020973100000000, 0.0004950300000000, -0.0008479300000000 ] - [ -0.0004714800000000, 0.0005207800000000, -0.0007090300000000 ] - [ 0.0008732700000000, 0.0003841700000000, 0.0010015600000000 ] - [ -0.0002621900000000, -0.0006671100000000, -0.0004519500000000 ] - [ 0.0002620100000000, -0.0004041000000000, -0.0001643600000000 ] - [ -0.0241604100000000, -0.0135234900000000, 0.0035067000000000 ] - [ 0.0021495800000000, -0.0005579100000000, 0.0001697600000000 ] - [ -0.0002714200000000, -0.0000726300000000, 0.0000406600000000 ] - [ 0.0002969300000000, 0.0000580300000000, 0.0001357100000000 ] - [ -0.0011456700000000, 0.0006439300000000, -0.0004754000000000 ] - [ 0.0009533300000000, -0.0007957800000000, 0.0003991900000000 ] - [ -0.0002292800000000, 0.0004196300000000, -0.0002809700000000 ] - [ 0.0002369000000000, 0.0005866900000000, -0.0001723800000000 ] - [ -0.0002273400000000, 0.0005468000000000, 0.0002892400000000 ] - [ 0.0002247900000000, 0.0004768200000000, 0.0001555500000000 ] - [ -0.0003206900000000, -0.0009448200000000, 0.0001704300000000 ] - [ 0.0003007200000000, -0.0003081000000000, -0.0004330800000000 ] - [ -0.0002953500000000, 0.0004753300000000, 0.0002520600000000 ] - [ 0.0002920900000000, -0.0002204900000000, -0.0000225200000000 ] - [ -0.0001640800000000, -0.0000428000000000, -0.0000026900000000 ] - [ 0.0001646400000000, 0.0000243000000000, -0.0000335600000000 ] - [ -0.0018765900000000, -0.0010620600000000, -0.0003015100000000 ] - [ 0.0008821400000000, -0.0001194900000000, 0.0003620500000000 ] - [ -0.0019915200000000, -0.0001791900000000, 0.0001810300000000 ] - [ 0.0013710200000000, -0.0007305200000000, 0.0001782000000000 ] - [ -0.0003934400000000, 0.0002453200000000, 0.0004119500000000 ] - [ 0.0003485900000000, 0.0004198200000000, 0.0000097800000000 ] - [ -0.0001711600000000, -0.0002198700000000, 0.0000041700000000 ] - [ 0.0001718500000000, -0.0004432400000000, -0.0002177800000000 ] - [ -0.0016201100000000, 0.0000661100000000, -0.0001360000000000 ] - [ 0.0012424700000000, 0.0007990400000000, -0.0012455400000000 ] - [ -0.0004300500000000, -0.0008153400000000, 0.0002328400000000 ] - [ 0.0004716300000000, -0.0002741100000000, 0.0001634400000000 ] - [ -0.0001184900000000, -0.0003218200000000, -0.0003969500000000 ] - [ 0.0001116800000000, -0.0005804900000000, -0.0001265500000000 ] - [ -0.0004057800000000, 0.0004923700000000, -0.0000246700000000 ] - [ 0.0004299600000000, 0.0004845600000000, 0.0003551700000000 ] - [ -0.0002210600000000, -0.0006477400000000, 0.0002455800000000 ] - [ 0.0002698400000000, -0.0001147800000000, 0.0000360100000000 ] - [ -0.0004936000000000, 0.0009480500000000, -0.0001068100000000 ] - [ 0.0004898900000000, 0.0002091700000000, -0.0001439400000000 ] - [ -0.0001375300000000, 0.0002494000000000, -0.0000162500000000 ] - [ 0.0001290700000000, 0.0004825000000000, 0.0002261800000000 ] - [ -0.0001534500000000, -0.0003247400000000, -0.0001537700000000 ] - [ 0.0001547800000000, -0.0004213400000000, -0.0001154500000000 ] - [ -0.0001944900000000, 0.0004239700000000, -0.0002202000000000 ] - [ 0.0001931400000000, 0.0005260400000000, -0.0001530000000000 ] - [ -0.0020740200000000, -0.0004468700000000, 0.0005317200000000 ] - [ 0.0015444900000000, 0.0004542800000000, 0.0007046200000000 ] - [ -0.0005028200000000, -0.0003032900000000, 0.0004579100000000 ] - [ 0.0004661900000000, -0.0005311200000000, -0.0003583100000000 ] - [ -0.0000769100000000, 0.0004804200000000, 0.0002097500000000 ] - [ 0.0000774900000000, 0.0004602600000000, 0.0001670100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0217283100000000, -0.0514514400000000, 0.0077529700000000 ] - [ -0.0002318300000000, -0.0004387400000000, 0.0006760900000000 ] - [ 0.0001226200000000, 0.0004534300000000, -0.0001905700000000 ] - [ -0.0007235100000000, 0.0004525400000000, -0.0006394600000000 ] - [ 0.0003172900000000, -0.0000716400000000, 0.0006095000000000 ] - [ 0.0002037100000000, -0.0000160000000000, 0.0006689300000000 ] - [ 0.0002671600000000, -0.0003671800000000, -0.0007972100000000 ] - [ 0.0002807900000000, -0.0001218200000000, -0.0006625300000000 ] - [ 0.0004442400000000, 0.0009461700000000, -0.0002410400000000 ] - [ 0.0001750700000000, 0.0000318100000000, -0.0005729600000000 ] - [ 0.0004790100000000, -0.0013402900000000, 0.0008113900000000 ] - [ 0.0001322400000000, -0.0048844500000000, 0.0009134200000000 ] - [ -0.0002881800000000, -0.0002354300000000, -0.0007024300000000 ] - [ -0.0002454700000000, -0.0002352800000000, -0.0006835100000000 ] - [ -0.0002526400000000, -0.0000096000000000, 0.0006395000000000 ] - [ -0.0002657100000000, -0.0000807300000000, 0.0006317800000000 ] - [ 0.0014750600000000, -0.0014817700000000, -0.0036342900000000 ] - [ -0.0002016500000000, -0.0008088800000000, -0.0006315200000000 ] - [ 0.0000541100000000, 0.0016728600000000, 0.0005017000000000 ] - [ -0.0001007700000000, 0.0008487900000000, 0.0005694400000000 ] - [ -0.0000408800000000, 0.0008202800000000, -0.0008098000000000 ] - [ 0.0000432700000000, 0.0006917900000000, -0.0007107100000000 ] - [ -0.0000330700000000, -0.0007080500000000, 0.0002663200000000 ] - [ 0.0000518400000000, -0.0006992700000000, 0.0005342500000000 ] - [ 0.0007909300000000, -0.0011835000000000, 0.0000643500000000 ] - [ -0.0005680400000000, -0.0012229400000000, -0.0008799900000000 ] - [ -0.0039925000000000, 0.0052435500000000, -0.0032280200000000 ] - [ 0.0008468800000000, 0.0005361200000000, 0.0008571000000000 ] - [ 0.0001377100000000, -0.0002580500000000, 0.0004135300000000 ] - [ -0.0000740200000000, -0.0005359600000000, 0.0001051200000000 ] - [ 0.0001427000000000, -0.0003891800000000, -0.0001399300000000 ] - [ -0.0002434600000000, -0.0005031200000000, -0.0001229900000000 ] - [ 0.0002001700000000, -0.0017925200000000, -0.0016066100000000 ] - [ 0.0000509600000000, 0.0001934400000000, -0.0000284000000000 ] - [ 0.0001878900000000, -0.0004782800000000, 0.0002234400000000 ] - [ -0.0003117100000000, -0.0001939700000000, 0.0003969700000000 ] - [ -0.0000050000000000, -0.0011980000000000, 0.0014746800000000 ] - [ 0.0000221800000000, -0.0010954400000000, 0.0010810900000000 ] - [ 0.0001178600000000, 0.0006878800000000, -0.0017138600000000 ] - [ -0.0001028100000000, 0.0007527700000000, -0.0011526600000000 ] - [ -0.0002350500000000, 0.0007695300000000, 0.0006784100000000 ] - [ -0.0002279400000000, 0.0007692100000000, 0.0006166600000000 ] - [ -0.0001181700000000, 0.0060119400000000, -0.0042485800000000 ] - [ -0.0003133700000000, -0.0002060300000000, -0.0007542100000000 ] - [ 0.0002168300000000, -0.0001671700000000, 0.0006645600000000 ] - [ 0.0002931200000000, -0.0001736300000000, 0.0006572900000000 ] - [ 0.0002707400000000, 0.0004072800000000, -0.0006459900000000 ] - [ 0.0002566700000000, 0.0004214600000000, -0.0006394000000000 ] - [ -0.0003354300000000, -0.0001409400000000, -0.0010323600000000 ] - [ 0.0018859900000000, 0.0006041500000000, -0.0013103800000000 ] - [ 0.0001974200000000, 0.0010078200000000, 0.0006466400000000 ] - [ 0.0002672600000000, 0.0005493000000000, 0.0006507200000000 ] - [ -0.0002669400000000, 0.0004724900000000, -0.0006440200000000 ] - [ -0.0002607300000000, 0.0003569100000000, -0.0006415500000000 ] - [ -0.0003562500000000, -0.0001701400000000, 0.0006460900000000 ] - [ -0.0001606900000000, -0.0001700800000000, 0.0006868200000000 ] - [ 0.0000828300000000, 0.0001152900000000, -0.0004260900000000 ] - [ -0.0000795400000000, -0.0001350100000000, -0.0005464400000000 ] - [ 0.0086428700000000, 0.0077758000000000, 0.0102385500000000 ] - [ -0.0004420200000000, -0.0000308400000000, 0.0005612900000000 ] - [ -0.0000215100000000, -0.0000194400000000, 0.0000517700000000 ] - [ 0.0000915700000000, 0.0002808400000000, -0.0004449200000000 ] - [ -0.0000067800000000, -0.0002247700000000, 0.0006774700000000 ] - [ 0.0000121200000000, -0.0003388800000000, 0.0006329900000000 ] - [ 0.0002682200000000, 0.0000095600000000, -0.0014626000000000 ] - [ -0.0001146600000000, -0.0006574100000000, -0.0011212500000000 ] - [ -0.0001294000000000, 0.0021313400000000, 0.0011344100000000 ] - [ 0.0001836100000000, 0.0012821500000000, 0.0011123800000000 ] - [ -0.0001597000000000, -0.0006027300000000, -0.0001790800000000 ] - [ 0.0003562600000000, -0.0005599500000000, -0.0004258500000000 ] - [ -0.0000073600000000, 0.0011927000000000, 0.0000307100000000 ] - [ 0.0000216500000000, 0.0009243900000000, 0.0000059800000000 ] - [ -0.0000209800000000, 0.0010477700000000, 0.0000138200000000 ] - [ 0.0000104000000000, 0.0010745900000000, 0.0000287500000000 ] - [ -0.0002278400000000, -0.0005249400000000, -0.0007652700000000 ] - [ 0.0000079100000000, -0.0006556500000000, -0.0000916000000000 ] - [ -0.0000652800000000, -0.0006624900000000, 0.0008959900000000 ] - [ 0.0000574200000000, -0.0007258900000000, 0.0009584400000000 ] - [ 0.0000434800000000, 0.0012743600000000, -0.0008273200000000 ] - [ -0.0000521600000000, 0.0011099700000000, -0.0009574200000000 ] - [ -0.0005045600000000, -0.0012789600000000, -0.0005765500000000 ] - [ 0.0005472100000000, -0.0008742300000000, -0.0000019900000000 ] - [ 0.0009803000000000, 0.0123282600000000, -0.0005192500000000 ] - [ -0.0002975300000000, 0.0018812100000000, -0.0001852800000000 ] - [ -0.0003095500000000, 0.0018351000000000, 0.0007457000000000 ] - [ 0.0000370100000000, 0.0011068600000000, 0.0003107600000000 ] - [ 0.0000326100000000, -0.0008475800000000, -0.0007647900000000 ] - [ -0.0000714400000000, -0.0005561900000000, -0.0003603400000000 ] - [ 0.0129047200000000, 0.0240108600000000, -0.0047389100000000 ] - [ 0.0003603000000000, 0.0008660000000000, 0.0000983900000000 ] - [ 0.0000851300000000, 0.0004351500000000, -0.0000683600000000 ] - [ -0.0000923200000000, 0.0003032500000000, -0.0000374100000000 ] - [ -0.0012556800000000, -0.0014665700000000, 0.0025907100000000 ] - [ 0.0002981300000000, -0.0004971900000000, 0.0005417400000000 ] - [ 0.0000576400000000, -0.0009403500000000, -0.0002491700000000 ] - [ -0.0000578100000000, -0.0002713100000000, -0.0002433300000000 ] - [ -0.0000023000000000, -0.0002390600000000, 0.0001793600000000 ] - [ 0.0000028300000000, 0.0000244200000000, 0.0002160400000000 ] - [ 0.0002671900000000, -0.0005430400000000, 0.0001649500000000 ] - [ -0.0002061800000000, -0.0004676300000000, -0.0000297500000000 ] - [ -0.0002112300000000, -0.0014696000000000, -0.0002302500000000 ] - [ 0.0002022100000000, -0.0007168000000000, 0.0000017100000000 ] - [ 0.0000334200000000, -0.0003975300000000, 0.0000475300000000 ] - [ -0.0000351000000000, -0.0002634900000000, 0.0000416700000000 ] - [ 0.0004640900000000, 0.0003683900000000, -0.0006039700000000 ] - [ -0.0002820400000000, -0.0000547800000000, -0.0001093400000000 ] - [ 0.0001715000000000, 0.0030357000000000, -0.0009276200000000 ] - [ 0.0006664400000000, 0.0006936400000000, -0.0000945300000000 ] - [ 0.0001555500000000, 0.0005739300000000, 0.0007049600000000 ] - [ -0.0001345900000000, 0.0005351200000000, 0.0003271000000000 ] - [ -0.0001089300000000, -0.0001125200000000, -0.0002340300000000 ] - [ 0.0001125900000000, -0.0001736800000000, -0.0002435300000000 ] - [ 0.0002647400000000, 0.0025430700000000, -0.0004203600000000 ] - [ -0.0002880000000000, 0.0011803400000000, -0.0001102400000000 ] - [ 0.0002850200000000, -0.0018231800000000, 0.0004059200000000 ] - [ -0.0003250000000000, -0.0010401000000000, 0.0002920600000000 ] - [ -0.0000589300000000, -0.0009008400000000, 0.0001079400000000 ] - [ 0.0000709800000000, -0.0006857600000000, -0.0001019800000000 ] - [ -0.0000622300000000, 0.0010204100000000, 0.0004534700000000 ] - [ 0.0000731100000000, 0.0007382200000000, 0.0002969400000000 ] - [ 0.0004637200000000, -0.0012701000000000, 0.0004393400000000 ] - [ -0.0002468200000000, -0.0007941300000000, 0.0002423600000000 ] - [ -0.0003339300000000, -0.0011145200000000, -0.0004437700000000 ] - [ 0.0002403000000000, -0.0000876200000000, -0.0001647500000000 ] - [ 0.0000654800000000, 0.0000288800000000, -0.0000707800000000 ] - [ -0.0000753600000000, 0.0001688000000000, 0.0000632800000000 ] - [ -0.0000476900000000, -0.0006498000000000, -0.0000176500000000 ] - [ 0.0000409200000000, -0.0005472000000000, -0.0000873600000000 ] - [ 0.0000399600000000, -0.0003033500000000, -0.0002502400000000 ] - [ -0.0000404900000000, 0.0000707800000000, -0.0002377500000000 ] - [ 0.0001944400000000, 0.0020264800000000, 0.0005029400000000 ] - [ -0.0008350100000000, -0.0001884500000000, 0.0000263200000000 ] - [ -0.0000877700000000, -0.0001987700000000, -0.0010477500000000 ] - [ 0.0001499700000000, -0.0002906800000000, -0.0004018900000000 ] - [ -0.0000315600000000, 0.0001359700000000, 0.0001538400000000 ] - [ 0.0000358500000000, 0.0002013800000000, 0.0001493900000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0222077500000000, 0.0528433100000000, -0.0067531300000000 ] - [ -0.0003029200000000, 0.0007299000000000, 0.0006158500000000 ] - [ -0.0006576000000000, -0.0007455200000000, -0.0010960200000000 ] - [ 0.0001842200000000, -0.0007463900000000, -0.0006510900000000 ] - [ 0.0002203400000000, -0.0002222600000000, 0.0006808600000000 ] - [ 0.0003336200000000, -0.0002780500000000, 0.0006222100000000 ] - [ 0.0002690900000000, 0.0006588000000000, -0.0004905800000000 ] - [ 0.0002573900000000, 0.0004132100000000, -0.0006281900000000 ] - [ 0.0000927800000000, -0.0012363600000000, -0.0010465400000000 ] - [ 0.0003627500000000, -0.0003268100000000, -0.0007176700000000 ] - [ 0.0000524000000000, 0.0016284700000000, 0.0004829300000000 ] - [ 0.0005520200000000, 0.0051700300000000, 0.0003761700000000 ] - [ -0.0002501800000000, 0.0005264300000000, -0.0005885800000000 ] - [ -0.0002911400000000, 0.0005265800000000, -0.0006060000000000 ] - [ -0.0002848900000000, -0.0002845700000000, 0.0006513600000000 ] - [ -0.0002708700000000, -0.0002133600000000, 0.0006590000000000 ] - [ -0.0014715400000000, 0.0004953700000000, 0.0024089700000000 ] - [ 0.0002001400000000, -0.0002006200000000, -0.0005765100000000 ] - [ -0.0000540200000000, -0.0006589200000000, 0.0007055800000000 ] - [ 0.0001012300000000, 0.0001589300000000, 0.0006386500000000 ] - [ 0.0000399400000000, 0.0001894300000000, -0.0003985900000000 ] - [ -0.0000430500000000, 0.0003179600000000, -0.0004973500000000 ] - [ 0.0000333600000000, -0.0003027800000000, 0.0009374500000000 ] - [ -0.0000508200000000, -0.0003118900000000, 0.0006713300000000 ] - [ -0.0007887000000000, -0.0006681900000000, -0.0021155300000000 ] - [ 0.0005654500000000, -0.0006274100000000, -0.0011775900000000 ] - [ 0.0039425800000000, -0.0033670000000000, 0.0052299700000000 ] - [ -0.0008374000000000, 0.0013048000000000, 0.0011989200000000 ] - [ -0.0001369500000000, -0.0010013800000000, -0.0004118000000000 ] - [ 0.0000744900000000, -0.0007242900000000, -0.0001049300000000 ] - [ -0.0001443600000000, 0.0016445900000000, 0.0001387100000000 ] - [ 0.0002516900000000, 0.0017592700000000, 0.0001329500000000 ] - [ -0.0002144100000000, 0.0030373700000000, 0.0016576300000000 ] - [ -0.0000483700000000, 0.0010636400000000, 0.0000289500000000 ] - [ -0.0001872500000000, -0.0007817600000000, -0.0002223800000000 ] - [ 0.0003096200000000, -0.0010641300000000, -0.0003950600000000 ] - [ 0.0000057700000000, -0.0006509300000000, 0.0005847200000000 ] - [ -0.0000214200000000, -0.0007523700000000, 0.0009756800000000 ] - [ -0.0001209700000000, 0.0011519100000000, -0.0003457600000000 ] - [ 0.0001033900000000, 0.0010902900000000, -0.0009033800000000 ] - [ -0.0003009600000000, -0.0004754900000000, 0.0006130200000000 ] - [ -0.0003098600000000, -0.0004757800000000, 0.0006745000000000 ] - [ -0.0004287400000000, -0.0063906600000000, 0.0030080200000000 ] - [ -0.0002230100000000, -0.0000857800000000, -0.0005364500000000 ] - [ 0.0003205200000000, -0.0001248800000000, 0.0006262000000000 ] - [ 0.0002449000000000, -0.0001191900000000, 0.0006332500000000 ] - [ 0.0002665500000000, -0.0001145000000000, -0.0006454600000000 ] - [ 0.0002802300000000, -0.0001287800000000, -0.0006518000000000 ] - [ 0.0008731600000000, -0.0001502100000000, -0.0002570300000000 ] - [ -0.0013546900000000, -0.0008927400000000, 0.0000195300000000 ] - [ 0.0003392900000000, -0.0007137600000000, 0.0006446700000000 ] - [ 0.0002708700000000, -0.0002561500000000, 0.0006403600000000 ] - [ -0.0002704400000000, -0.0001797700000000, -0.0006472600000000 ] - [ -0.0002761000000000, -0.0000644800000000, -0.0006495300000000 ] - [ -0.0001811600000000, -0.0001226100000000, 0.0006443600000000 ] - [ -0.0003761400000000, -0.0001225300000000, 0.0006042500000000 ] - [ -0.0000829300000000, -0.0011239000000000, -0.0007803000000000 ] - [ 0.0000788300000000, -0.0008742900000000, -0.0006612500000000 ] - [ -0.0087598300000000, -0.0068145800000000, -0.0091534500000000 ] - [ 0.0004453900000000, 0.0010407200000000, 0.0006481300000000 ] - [ 0.0000184200000000, 0.0010321200000000, -0.0012593300000000 ] - [ -0.0000907600000000, 0.0007295600000000, -0.0007604600000000 ] - [ 0.0000071800000000, -0.0007859600000000, 0.0005301400000000 ] - [ -0.0000112700000000, -0.0006721900000000, 0.0005743600000000 ] - [ -0.0002710500000000, -0.0018570500000000, -0.0005914500000000 ] - [ 0.0001149600000000, -0.0011878100000000, -0.0009347400000000 ] - [ 0.0001296300000000, -0.0002849600000000, 0.0009216300000000 ] - [ -0.0001831200000000, 0.0005658000000000, 0.0009440800000000 ] - [ 0.0001591000000000, -0.0006540300000000, 0.0001782500000000 ] - [ -0.0003554100000000, -0.0006971400000000, 0.0004248500000000 ] - [ 0.0000070500000000, 0.0000666700000000, -0.0000317100000000 ] - [ -0.0000206400000000, 0.0003346900000000, -0.0000061800000000 ] - [ 0.0000215200000000, 0.0002114600000000, -0.0000146600000000 ] - [ -0.0000112000000000, 0.0001844700000000, -0.0000292100000000 ] - [ 0.0002279200000000, -0.0007313900000000, 0.0007671900000000 ] - [ -0.0000075700000000, -0.0006027700000000, 0.0000910200000000 ] - [ 0.0000657600000000, -0.0011828000000000, 0.0011610400000000 ] - [ -0.0000565800000000, -0.0011197100000000, 0.0010982300000000 ] - [ -0.0000441900000000, 0.0005729300000000, -0.0012301100000000 ] - [ 0.0000523100000000, 0.0007366400000000, -0.0011000800000000 ] - [ 0.0004996400000000, 0.0003248200000000, 0.0010286500000000 ] - [ -0.0005475300000000, -0.0000785100000000, 0.0004592400000000 ] - [ -0.0010033900000000, -0.0113522900000000, 0.0000130400000000 ] - [ 0.0002977600000000, -0.0009233100000000, -0.0002743000000000 ] - [ 0.0003199900000000, -0.0008709400000000, -0.0002982000000000 ] - [ -0.0000442500000000, -0.0001438200000000, 0.0001391000000000 ] - [ -0.0000294900000000, -0.0001146000000000, 0.0003075800000000 ] - [ 0.0000739900000000, -0.0004052800000000, -0.0000938800000000 ] - [ -0.0140244100000000, -0.0250162000000000, 0.0052231800000000 ] - [ -0.0003605100000000, -0.0008698300000000, -0.0001001600000000 ] - [ -0.0000836100000000, -0.0004372100000000, 0.0000689000000000 ] - [ 0.0000913400000000, -0.0003044700000000, 0.0000372500000000 ] - [ 0.0012628600000000, 0.0005007400000000, -0.0021449600000000 ] - [ -0.0003011400000000, -0.0004604200000000, -0.0000848200000000 ] - [ -0.0000548500000000, 0.0018899300000000, -0.0002070500000000 ] - [ 0.0000612600000000, 0.0012218800000000, -0.0002135900000000 ] - [ 0.0000001900000000, 0.0011982700000000, 0.0002760400000000 ] - [ -0.0000064900000000, 0.0009353300000000, 0.0002387400000000 ] - [ -0.0002644900000000, -0.0004223300000000, -0.0006181800000000 ] - [ 0.0002086400000000, -0.0004975000000000, -0.0004228000000000 ] - [ 0.0002104600000000, 0.0014639700000000, 0.0002280600000000 ] - [ -0.0002013000000000, 0.0007159000000000, -0.0000018300000000 ] - [ -0.0000328800000000, 0.0003967200000000, -0.0000472600000000 ] - [ 0.0000347100000000, 0.0002627100000000, -0.0000409400000000 ] - [ -0.0004859500000000, -0.0010661800000000, 0.0009242600000000 ] - [ 0.0002801000000000, -0.0006888900000000, 0.0003867400000000 ] - [ -0.0000742800000000, -0.0021681100000000, 0.0005958000000000 ] - [ -0.0006692000000000, 0.0000603100000000, -0.0001855800000000 ] - [ -0.0001555200000000, 0.0001757200000000, -0.0004271200000000 ] - [ 0.0001336100000000, 0.0002112100000000, -0.0000477000000000 ] - [ 0.0001090200000000, -0.0006320200000000, -0.0000445900000000 ] - [ -0.0001121200000000, -0.0005712500000000, -0.0000352200000000 ] - [ -0.0002584500000000, -0.0015750200000000, 0.0000311900000000 ] - [ 0.0002833100000000, -0.0002138400000000, -0.0002816800000000 ] - [ -0.0002821300000000, 0.0008503700000000, -0.0000070000000000 ] - [ 0.0003214600000000, 0.0000686800000000, 0.0001058700000000 ] - [ 0.0000593200000000, -0.0000579600000000, -0.0005026900000000 ] - [ -0.0000707700000000, -0.0002716900000000, -0.0002950300000000 ] - [ 0.0000621600000000, -0.0000628600000000, -0.0000541100000000 ] - [ -0.0000727800000000, 0.0002187300000000, 0.0001016100000000 ] - [ -0.0004667400000000, 0.0005238700000000, -0.0001626000000000 ] - [ 0.0002474500000000, 0.0000453400000000, 0.0000360400000000 ] - [ 0.0003366900000000, 0.0018601500000000, 0.0001674000000000 ] - [ -0.0002416600000000, 0.0008316100000000, -0.0001141800000000 ] - [ -0.0000652000000000, 0.0007150200000000, 0.0003500800000000 ] - [ 0.0000753100000000, 0.0005747700000000, 0.0002151100000000 ] - [ 0.0000481900000000, -0.0000981000000000, -0.0002610200000000 ] - [ -0.0000409400000000, -0.0002004500000000, -0.0001907400000000 ] - [ -0.0000389300000000, 0.0012700300000000, -0.0001480200000000 ] - [ 0.0000396800000000, 0.0008962500000000, -0.0001603700000000 ] - [ -0.0001225200000000, -0.0030792200000000, -0.0001582800000000 ] - [ 0.0008309200000000, -0.0007876300000000, 0.0003685100000000 ] - [ 0.0000872400000000, -0.0007634800000000, 0.0006479800000000 ] - [ -0.0001508900000000, -0.0006680700000000, 0.0000051500000000 ] - [ 0.0000314700000000, 0.0008200800000000, 0.0002428700000000 ] - [ -0.0000354300000000, 0.0007545600000000, 0.0002476600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0040475700000000, 0.0074213900000000, -0.0423836400000000 ] - [ -0.0002218900000000, 0.0001766700000000, 0.0001493500000000 ] - [ -0.0002295700000000, -0.0001409900000000, -0.0011790400000000 ] - [ -0.0005919700000000, 0.0003066100000000, -0.0011794700000000 ] - [ 0.0002791800000000, -0.0001104100000000, 0.0008820800000000 ] - [ 0.0002883900000000, -0.0001693400000000, 0.0009948800000000 ] - [ 0.0001894400000000, 0.0002991900000000, 0.0006865700000000 ] - [ 0.0003590300000000, 0.0001637500000000, -0.0002952300000000 ] - [ 0.0005597400000000, 0.0002557500000000, -0.0013212700000000 ] - [ 0.0002012100000000, -0.0000747900000000, -0.0008988400000000 ] - [ 0.0004193700000000, 0.0003113600000000, -0.0006730500000000 ] - [ 0.0005586600000000, 0.0004144400000000, -0.0046366300000000 ] - [ -0.0004987300000000, 0.0001852100000000, -0.0000202200000000 ] - [ -0.0001516300000000, 0.0002032900000000, -0.0000200300000000 ] - [ -0.0002905300000000, -0.0001400100000000, 0.0010229100000000 ] - [ -0.0002738000000000, -0.0001328100000000, 0.0008390400000000 ] - [ -0.0036848300000000, -0.0039283300000000, 0.0044215900000000 ] - [ 0.0007407600000000, -0.0006826600000000, -0.0008670500000000 ] - [ -0.0000229500000000, 0.0001650100000000, 0.0004543700000000 ] - [ 0.0000439900000000, 0.0004430100000000, 0.0004522800000000 ] - [ 0.0000288400000000, 0.0003356600000000, -0.0004524700000000 ] - [ -0.0000301700000000, 0.0004522900000000, -0.0005177100000000 ] - [ -0.0000010700000000, -0.0006429200000000, 0.0020247800000000 ] - [ -0.0000834100000000, -0.0005326900000000, 0.0009514600000000 ] - [ 0.0007825100000000, 0.0005546200000000, -0.0007918000000000 ] - [ -0.0005280600000000, -0.0007798800000000, -0.0010685400000000 ] - [ 0.0025253000000000, -0.0036329600000000, 0.0015494900000000 ] - [ -0.0003057800000000, 0.0009061800000000, 0.0008634400000000 ] - [ 0.0001262400000000, -0.0002336200000000, 0.0003281900000000 ] - [ -0.0000636900000000, -0.0005409600000000, 0.0000841000000000 ] - [ -0.0009231100000000, 0.0005874600000000, 0.0000559500000000 ] - [ 0.0017497800000000, 0.0005704900000000, 0.0008557200000000 ] - [ -0.0020172700000000, -0.0000591500000000, 0.0096267800000000 ] - [ 0.0001013200000000, 0.0006155100000000, -0.0000238800000000 ] - [ 0.0001806400000000, -0.0004324500000000, 0.0001379600000000 ] - [ -0.0002968800000000, -0.0002365400000000, 0.0003748800000000 ] - [ -0.0000520000000000, -0.0007246600000000, 0.0017113300000000 ] - [ 0.0000631200000000, -0.0008125400000000, 0.0012257100000000 ] - [ -0.0004855600000000, 0.0002778700000000, -0.0003648200000000 ] - [ 0.0002379700000000, 0.0007444100000000, -0.0008143700000000 ] - [ -0.0002937400000000, 0.0001176800000000, 0.0003905800000000 ] - [ -0.0001957200000000, 0.0001795600000000, 0.0003905300000000 ] - [ -0.0003282700000000, -0.0037705500000000, -0.0014660500000000 ] - [ -0.0001547900000000, -0.0002557100000000, -0.0010594000000000 ] - [ 0.0001641900000000, -0.0001665900000000, 0.0013575200000000 ] - [ 0.0002821300000000, -0.0001587400000000, 0.0009482000000000 ] - [ 0.0002291000000000, 0.0001469600000000, -0.0004729400000000 ] - [ 0.0002930400000000, 0.0001405300000000, -0.0004506600000000 ] - [ 0.0005551800000000, -0.0005355800000000, -0.0015273600000000 ] - [ -0.0005868100000000, -0.0008089300000000, -0.0016912100000000 ] - [ 0.0002323800000000, 0.0001477500000000, 0.0003091100000000 ] - [ 0.0002531900000000, 0.0001516800000000, 0.0004625600000000 ] - [ -0.0002572300000000, 0.0001450700000000, -0.0004254500000000 ] - [ -0.0002647300000000, 0.0001425500000000, -0.0004967000000000 ] - [ -0.0002276500000000, -0.0001885400000000, 0.0011564200000000 ] - [ -0.0002191300000000, -0.0001477500000000, 0.0011559200000000 ] - [ 0.0000676300000000, -0.0004715000000000, -0.0007104300000000 ] - [ -0.0000689300000000, -0.0004298300000000, -0.0006639300000000 ] - [ 0.0069403700000000, 0.0105719700000000, 0.0036312800000000 ] - [ -0.0002644000000000, 0.0004259000000000, 0.0002483300000000 ] - [ -0.0004219000000000, 0.0009581000000000, 0.0002137000000000 ] - [ 0.0002329500000000, 0.0006124200000000, -0.0003227800000000 ] - [ -0.0000053000000000, -0.0004575800000000, 0.0008047400000000 ] - [ 0.0000096400000000, -0.0004961700000000, 0.0007139100000000 ] - [ -0.0001592100000000, -0.0013989500000000, -0.0010506600000000 ] - [ 0.0000969500000000, -0.0010830900000000, -0.0011141600000000 ] - [ 0.0000216400000000, 0.0016037800000000, 0.0008303200000000 ] - [ 0.0000558300000000, 0.0010622300000000, 0.0009166600000000 ] - [ 0.0004741200000000, -0.0012857600000000, 0.0003761500000000 ] - [ -0.0005266800000000, -0.0010735700000000, 0.0004496000000000 ] - [ 0.0000006000000000, 0.0006328600000000, 0.0000249000000000 ] - [ 0.0000024600000000, 0.0006263700000000, -0.0000084800000000 ] - [ -0.0000819400000000, 0.0006373900000000, 0.0000153100000000 ] - [ 0.0000777900000000, 0.0006206600000000, -0.0000050100000000 ] - [ 0.0000668200000000, -0.0013672700000000, 0.0007152800000000 ] - [ 0.0000464500000000, -0.0007580400000000, 0.0001088100000000 ] - [ 0.0000335700000000, -0.0011277400000000, 0.0012921800000000 ] - [ -0.0000391500000000, -0.0010101900000000, 0.0011845600000000 ] - [ 0.0000303600000000, 0.0012588400000000, -0.0008896300000000 ] - [ -0.0000384200000000, 0.0010093400000000, -0.0009485900000000 ] - [ -0.0004139900000000, -0.0014715900000000, 0.0004727200000000 ] - [ 0.0004712700000000, -0.0008963100000000, 0.0003422500000000 ] - [ 0.0016184100000000, -0.0001822200000000, 0.0122152400000000 ] - [ 0.0004022400000000, 0.0004430900000000, 0.0004951100000000 ] - [ 0.0023273700000000, 0.0006154400000000, -0.0022730400000000 ] - [ -0.0007239600000000, 0.0005149300000000, -0.0005086100000000 ] - [ 0.0000262900000000, -0.0008601900000000, -0.0010348600000000 ] - [ -0.0000577300000000, -0.0006070200000000, -0.0005293600000000 ] - [ -0.0038344200000000, -0.0053957600000000, 0.0133254200000000 ] - [ -0.0003121900000000, 0.0000988800000000, 0.0012487700000000 ] - [ 0.0002085700000000, -0.0001594800000000, -0.0015217400000000 ] - [ -0.0001211500000000, -0.0000588800000000, -0.0007456900000000 ] - [ 0.0008698800000000, 0.0020191200000000, -0.0002176200000000 ] - [ -0.0005005900000000, 0.0000302700000000, 0.0004908500000000 ] - [ 0.0000725300000000, 0.0003933500000000, -0.0000124900000000 ] - [ -0.0000636900000000, 0.0004445600000000, -0.0000517100000000 ] - [ -0.0000570400000000, 0.0004247900000000, 0.0000364600000000 ] - [ 0.0000526500000000, 0.0004652300000000, 0.0000956500000000 ] - [ -0.0001448800000000, 0.0001503100000000, -0.0014022200000000 ] - [ 0.0001881100000000, -0.0003426800000000, -0.0007813700000000 ] - [ -0.0000987700000000, 0.0000337800000000, 0.0005929300000000 ] - [ 0.0000863500000000, -0.0001397500000000, 0.0004098600000000 ] - [ -0.0000160500000000, 0.0000592600000000, -0.0004236400000000 ] - [ 0.0000164600000000, 0.0000066100000000, -0.0002784500000000 ] - [ 0.0004426500000000, -0.0014860200000000, 0.0012791700000000 ] - [ -0.0002545500000000, -0.0006573500000000, 0.0004700700000000 ] - [ 0.0001267800000000, -0.0000272800000000, 0.0020335200000000 ] - [ -0.0003897500000000, 0.0005425000000000, 0.0004319700000000 ] - [ -0.0003238500000000, 0.0009269400000000, -0.0008706200000000 ] - [ 0.0001351000000000, 0.0004793700000000, -0.0001525700000000 ] - [ -0.0000599900000000, -0.0005217200000000, -0.0008486100000000 ] - [ 0.0000745200000000, -0.0003985200000000, -0.0005318700000000 ] - [ -0.0003415300000000, 0.0005678100000000, 0.0015095500000000 ] - [ 0.0006832900000000, 0.0005181500000000, 0.0000168400000000 ] - [ -0.0000994100000000, 0.0000232300000000, 0.0005362600000000 ] - [ 0.0001221500000000, -0.0003421300000000, 0.0003312000000000 ] - [ 0.0000721300000000, -0.0002484400000000, -0.0004134400000000 ] - [ -0.0000730400000000, -0.0003627400000000, -0.0003207200000000 ] - [ 0.0002143600000000, 0.0004369100000000, -0.0011067000000000 ] - [ -0.0002610600000000, 0.0004236900000000, -0.0003381700000000 ] - [ -0.0002055400000000, 0.0001329400000000, 0.0004057400000000 ] - [ 0.0001087200000000, -0.0002054600000000, 0.0003164900000000 ] - [ -0.0000213900000000, 0.0000397600000000, 0.0004266000000000 ] - [ 0.0001076600000000, 0.0002876600000000, 0.0001095000000000 ] - [ 0.0000728400000000, 0.0002071200000000, -0.0001501500000000 ] - [ -0.0000788500000000, 0.0002815500000000, -0.0000313300000000 ] - [ 0.0000449500000000, -0.0002414400000000, -0.0005026500000000 ] - [ -0.0000488600000000, -0.0002733300000000, -0.0003660300000000 ] - [ 0.0000077100000000, 0.0003364400000000, -0.0000563900000000 ] - [ -0.0000113100000000, 0.0004902400000000, -0.0000991100000000 ] - [ 0.0000874500000000, -0.0004865100000000, 0.0026802400000000 ] - [ -0.0006035000000000, -0.0007061400000000, 0.0006805800000000 ] - [ -0.0003670500000000, -0.0012061800000000, -0.0014926800000000 ] - [ 0.0001722500000000, -0.0006074800000000, -0.0005054900000000 ] - [ -0.0000294500000000, 0.0004592600000000, 0.0000002500000000 ] - [ 0.0000334300000000, 0.0004493900000000, 0.0000361800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0042259000000000, -0.0070953300000000, 0.0445835300000000 ] - [ -0.0003140400000000, 0.0001163600000000, 0.0011396000000000 ] - [ -0.0003076600000000, -0.0001523800000000, -0.0001132600000000 ] - [ 0.0000526200000000, -0.0005985900000000, -0.0001136600000000 ] - [ 0.0002585800000000, -0.0001817800000000, 0.0004089000000000 ] - [ 0.0002491600000000, -0.0001226600000000, 0.0002958600000000 ] - [ 0.0003485200000000, -0.0000080900000000, -0.0019819700000000 ] - [ 0.0001782900000000, 0.0001287400000000, -0.0009943700000000 ] - [ -0.0000218000000000, -0.0005491600000000, 0.0000274600000000 ] - [ 0.0003361800000000, -0.0002190400000000, -0.0003933900000000 ] - [ 0.0001104700000000, -0.0000172000000000, 0.0019586900000000 ] - [ 0.0001151600000000, -0.0001229500000000, 0.0059203100000000 ] - [ -0.0000367600000000, 0.0001070300000000, -0.0012696900000000 ] - [ -0.0003870400000000, 0.0000888100000000, -0.0012694700000000 ] - [ -0.0002469100000000, -0.0001519000000000, 0.0002680300000000 ] - [ -0.0002630300000000, -0.0001600500000000, 0.0004520300000000 ] - [ 0.0036299700000000, 0.0028695400000000, -0.0055733800000000 ] - [ -0.0007340000000000, -0.0003275900000000, -0.0003451000000000 ] - [ 0.0000233500000000, 0.0008417600000000, 0.0007536000000000 ] - [ -0.0000433700000000, 0.0005650400000000, 0.0007558200000000 ] - [ -0.0000294300000000, 0.0006753000000000, -0.0007538900000000 ] - [ 0.0000298100000000, 0.0005578500000000, -0.0006887800000000 ] - [ 0.0000010000000000, -0.0003692800000000, -0.0008115300000000 ] - [ 0.0000834000000000, -0.0004782500000000, 0.0002545700000000 ] - [ -0.0007804500000000, -0.0023934100000000, -0.0012668900000000 ] - [ 0.0005262200000000, -0.0010679100000000, -0.0009899700000000 ] - [ -0.0025354900000000, 0.0054886200000000, 0.0005243300000000 ] - [ 0.0003051600000000, 0.0009391800000000, 0.0011935600000000 ] - [ -0.0001257300000000, -0.0010241000000000, -0.0003286300000000 ] - [ 0.0000641600000000, -0.0007180900000000, -0.0000850500000000 ] - [ 0.0009269700000000, 0.0006706700000000, -0.0000516600000000 ] - [ -0.0017560800000000, 0.0006862500000000, -0.0008515300000000 ] - [ 0.0020394200000000, 0.0013318500000000, -0.0098067500000000 ] - [ -0.0001010800000000, 0.0006429500000000, 0.0000259800000000 ] - [ -0.0001801700000000, -0.0008257300000000, -0.0001386900000000 ] - [ 0.0002950600000000, -0.0010210800000000, -0.0003744300000000 ] - [ 0.0000517200000000, -0.0011203400000000, 0.0003458400000000 ] - [ -0.0000618000000000, -0.0010326000000000, 0.0008308400000000 ] - [ 0.0004888200000000, 0.0015729700000000, -0.0016918500000000 ] - [ -0.0002390000000000, 0.0011013300000000, -0.0012409600000000 ] - [ -0.0002436200000000, 0.0001755000000000, 0.0008995400000000 ] - [ -0.0003410200000000, 0.0001142300000000, 0.0008995300000000 ] - [ -0.0002110400000000, 0.0034858100000000, 0.0001480800000000 ] - [ -0.0003807400000000, -0.0000375700000000, -0.0002339200000000 ] - [ 0.0003726200000000, -0.0001283800000000, -0.0000656300000000 ] - [ 0.0002554400000000, -0.0001348500000000, 0.0003431600000000 ] - [ 0.0003078800000000, 0.0001458100000000, -0.0008177200000000 ] - [ 0.0002439200000000, 0.0001522900000000, -0.0008399300000000 ] - [ -0.0000175700000000, 0.0002401700000000, 0.0002308300000000 ] - [ 0.0011274500000000, 0.0005211900000000, 0.0003911700000000 ] - [ 0.0003045700000000, 0.0001457800000000, 0.0009808000000000 ] - [ 0.0002845600000000, 0.0001413300000000, 0.0008275200000000 ] - [ -0.0002799400000000, 0.0001476900000000, -0.0008650100000000 ] - [ -0.0002724400000000, 0.0001499400000000, -0.0007937900000000 ] - [ -0.0003083300000000, -0.0001061400000000, 0.0001359600000000 ] - [ -0.0003187400000000, -0.0001461800000000, 0.0001354700000000 ] - [ -0.0000681900000000, -0.0005373900000000, -0.0004988200000000 ] - [ 0.0000683200000000, -0.0005789700000000, -0.0005449800000000 ] - [ -0.0069931200000000, -0.0096386000000000, -0.0023955800000000 ] - [ 0.0002641500000000, 0.0005831100000000, 0.0009598000000000 ] - [ 0.0004242100000000, 0.0000466700000000, -0.0014186100000000 ] - [ -0.0002337100000000, 0.0003971100000000, -0.0008818800000000 ] - [ 0.0000056700000000, -0.0005524900000000, 0.0004018300000000 ] - [ -0.0000089500000000, -0.0005143900000000, 0.0004928000000000 ] - [ 0.0001588700000000, -0.0004463700000000, -0.0010086700000000 ] - [ -0.0000969000000000, -0.0007642500000000, -0.0009435900000000 ] - [ -0.0000221900000000, 0.0002452200000000, 0.0012259700000000 ] - [ -0.0000546000000000, 0.0007854600000000, 0.0011400100000000 ] - [ -0.0004702300000000, 0.0000204600000000, -0.0003751800000000 ] - [ 0.0005244200000000, -0.0001886600000000, -0.0004503200000000 ] - [ -0.0000003500000000, 0.0006263800000000, -0.0000238900000000 ] - [ -0.0000018900000000, 0.0006326000000000, 0.0000090900000000 ] - [ 0.0000813800000000, 0.0006215900000000, -0.0000146300000000 ] - [ -0.0000779600000000, 0.0006385500000000, 0.0000058900000000 ] - [ -0.0000686100000000, 0.0001030900000000, -0.0007164200000000 ] - [ -0.0000454800000000, -0.0005017700000000, -0.0001098900000000 ] - [ -0.0000333400000000, -0.0007200500000000, 0.0007646000000000 ] - [ 0.0000397200000000, -0.0008366600000000, 0.0008718500000000 ] - [ -0.0000307900000000, 0.0005866000000000, -0.0011661500000000 ] - [ 0.0000379900000000, 0.0008367000000000, -0.0011076700000000 ] - [ 0.0004100700000000, 0.0005140200000000, -0.0000130400000000 ] - [ -0.0004720200000000, -0.0000579600000000, 0.0001163400000000 ] - [ -0.0023700700000000, 0.0013385500000000, -0.0135552000000000 ] - [ -0.0003986000000000, 0.0005117000000000, -0.0009566200000000 ] - [ -0.0023499800000000, 0.0003473200000000, 0.0027334900000000 ] - [ 0.0007222800000000, 0.0004478600000000, 0.0009585700000000 ] - [ -0.0000230000000000, -0.0001037300000000, 0.0005796100000000 ] - [ 0.0000600200000000, -0.0003565500000000, 0.0000756000000000 ] - [ 0.0037490400000000, 0.0052914400000000, -0.0133440200000000 ] - [ 0.0003109600000000, -0.0001013800000000, -0.0012412300000000 ] - [ -0.0002105400000000, 0.0001620400000000, 0.0015187200000000 ] - [ 0.0001219500000000, 0.0000592100000000, 0.0007438100000000 ] - [ -0.0008731400000000, -0.0029627100000000, 0.0006872900000000 ] - [ 0.0004932100000000, -0.0009816500000000, -0.0000305100000000 ] - [ -0.0000690900000000, 0.0005590600000000, -0.0004455900000000 ] - [ 0.0000662700000000, 0.0005077900000000, -0.0004061000000000 ] - [ 0.0000541300000000, 0.0005360400000000, 0.0004155600000000 ] - [ -0.0000556200000000, 0.0004965300000000, 0.0003563500000000 ] - [ 0.0001483900000000, -0.0011075200000000, 0.0009446500000000 ] - [ -0.0001845200000000, -0.0006196600000000, 0.0003278000000000 ] - [ 0.0000988900000000, -0.0000339900000000, -0.0005911800000000 ] - [ -0.0000859800000000, 0.0001389700000000, -0.0004087000000000 ] - [ 0.0000162200000000, -0.0000608400000000, 0.0004225500000000 ] - [ -0.0000167000000000, -0.0000072800000000, 0.0002775300000000 ] - [ -0.0004614000000000, 0.0007768800000000, -0.0009606000000000 ] - [ 0.0002527000000000, -0.0000895400000000, -0.0001891400000000 ] - [ -0.0001144700000000, 0.0007904200000000, -0.0023132900000000 ] - [ 0.0003863500000000, 0.0002087400000000, -0.0007122800000000 ] - [ 0.0003271700000000, -0.0001856600000000, 0.0011495300000000 ] - [ -0.0001360200000000, 0.0002656500000000, 0.0004288800000000 ] - [ 0.0000592100000000, -0.0002265700000000, 0.0005692100000000 ] - [ -0.0000736400000000, -0.0003476300000000, 0.0002534100000000 ] - [ 0.0004197900000000, 0.0003705500000000, -0.0017967700000000 ] - [ -0.0006840700000000, 0.0004485200000000, -0.0004071600000000 ] - [ 0.0000990100000000, -0.0009908600000000, -0.0001387100000000 ] - [ -0.0001218300000000, -0.0006255600000000, 0.0000662000000000 ] - [ -0.0000723100000000, -0.0007099200000000, 0.0000140300000000 ] - [ 0.0000733500000000, -0.0005949300000000, -0.0000783200000000 ] - [ -0.0002116500000000, 0.0005203100000000, 0.0015002600000000 ] - [ 0.0002578900000000, 0.0005329300000000, 0.0007337100000000 ] - [ 0.0002069200000000, -0.0008787900000000, -0.0001248400000000 ] - [ -0.0001094400000000, -0.0005414600000000, -0.0000367700000000 ] - [ 0.0000207300000000, 0.0007016300000000, -0.0007061300000000 ] - [ -0.0001074900000000, 0.0004571700000000, -0.0003877200000000 ] - [ -0.0000730500000000, 0.0005385800000000, 0.0004262200000000 ] - [ 0.0000789700000000, 0.0004637700000000, 0.0003079800000000 ] - [ -0.0000443800000000, -0.0005034200000000, 0.0002239400000000 ] - [ 0.0000483700000000, -0.0004716900000000, 0.0000871500000000 ] - [ -0.0000077100000000, 0.0006302900000000, -0.0003404100000000 ] - [ 0.0000112700000000, 0.0004775800000000, -0.0002979000000000 ] - [ -0.0000558400000000, -0.0005130900000000, -0.0023016900000000 ] - [ 0.0005983400000000, -0.0002668700000000, -0.0002866600000000 ] - [ 0.0003702500000000, 0.0002536800000000, 0.0010929600000000 ] - [ -0.0001727800000000, -0.0003496200000000, 0.0001052100000000 ] - [ 0.0000292600000000, 0.0004972600000000, 0.0003970500000000 ] - [ -0.0000331300000000, 0.0005071300000000, 0.0003612800000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008896000000000, 0.0016177900000000, -0.0030133800000000 ] - [ 0.0007067200000000, -0.0000533400000000, 0.0013772400000000 ] - [ -0.0001288700000000, -0.0000441000000000, -0.0006895900000000 ] - [ -0.0004473500000000, -0.0002006400000000, -0.0006221100000000 ] - [ 0.0003824500000000, -0.0001025900000000, 0.0006757800000000 ] - [ 0.0001571100000000, -0.0001865400000000, 0.0006162900000000 ] - [ 0.0000695100000000, 0.0001790200000000, -0.0006473500000000 ] - [ 0.0004111300000000, 0.0000951300000000, -0.0007279600000000 ] - [ 0.0000866100000000, -0.0000926100000000, -0.0006684600000000 ] - [ 0.0004101900000000, -0.0002462200000000, -0.0006023000000000 ] - [ 0.0012447900000000, 0.0003484600000000, -0.0000975000000000 ] - [ -0.0003319500000000, -0.0013288500000000, 0.0043013600000000 ] - [ -0.0001281400000000, 0.0001975400000000, -0.0005610300000000 ] - [ -0.0004634600000000, 0.0001125600000000, -0.0006451500000000 ] - [ -0.0003810000000000, -0.0001057200000000, 0.0006745100000000 ] - [ -0.0001541100000000, -0.0001890200000000, 0.0006158700000000 ] - [ -0.0328418200000000, -0.0004790300000000, -0.0006346500000000 ] - [ 0.0027355300000000, -0.0005088400000000, -0.0006040900000000 ] - [ -0.0000020300000000, 0.0005487400000000, 0.0005627600000000 ] - [ -0.0000010900000000, 0.0004607400000000, 0.0006453700000000 ] - [ -0.0000570500000000, 0.0005052700000000, -0.0006033200000000 ] - [ 0.0000588300000000, 0.0005052800000000, -0.0006033600000000 ] - [ 0.0001929000000000, -0.0005018100000000, 0.0018085900000000 ] - [ 0.0001987400000000, -0.0005109200000000, -0.0005936000000000 ] - [ 0.0000923200000000, 0.0004189900000000, -0.0010186500000000 ] - [ 0.0000975200000000, -0.0022545500000000, -0.0010380800000000 ] - [ -0.0004408400000000, 0.0009215900000000, 0.0010292400000000 ] - [ 0.0002957900000000, 0.0009240200000000, 0.0010273500000000 ] - [ -0.0002085300000000, -0.0005278100000000, 0.0000571800000000 ] - [ 0.0002035700000000, -0.0007315000000000, -0.0000728200000000 ] - [ 0.0001973600000000, 0.0006902700000000, -0.0001204500000000 ] - [ -0.0001733400000000, 0.0005724900000000, 0.0002941100000000 ] - [ -0.0001758800000000, 0.0006850200000000, -0.0002921800000000 ] - [ 0.0001990500000000, 0.0005679900000000, 0.0001191000000000 ] - [ 0.0002023000000000, -0.0005246900000000, 0.0000736800000000 ] - [ -0.0002060600000000, -0.0007303000000000, -0.0000575200000000 ] - [ -0.0003238800000000, -0.0009252100000000, 0.0010280200000000 ] - [ 0.0002541500000000, -0.0009215600000000, 0.0010296200000000 ] - [ 0.0000030400000000, 0.0009777400000000, -0.0010674800000000 ] - [ 0.0000043300000000, 0.0008679500000000, -0.0009893000000000 ] - [ -0.0001605300000000, 0.0000675400000000, 0.0005770700000000 ] - [ -0.0003753400000000, 0.0002299300000000, 0.0007136900000000 ] - [ 0.0016656000000000, -0.0088723300000000, -0.0076299400000000 ] - [ 0.0008157800000000, 0.0002926900000000, -0.0003839100000000 ] - [ 0.0000309700000000, -0.0001659800000000, 0.0010682000000000 ] - [ 0.0005309700000000, -0.0000558700000000, 0.0004131100000000 ] - [ 0.0003445400000000, 0.0001347500000000, -0.0006362000000000 ] - [ 0.0001929200000000, 0.0001536000000000, -0.0006510800000000 ] - [ 0.0013516900000000, -0.0005949400000000, -0.0009126900000000 ] - [ 0.0022460700000000, 0.0085292900000000, 0.0063033000000000 ] - [ 0.0001603200000000, 0.0000641900000000, 0.0005778900000000 ] - [ 0.0003778500000000, 0.0002258400000000, 0.0007142400000000 ] - [ -0.0003445600000000, 0.0001395600000000, -0.0006400800000000 ] - [ -0.0001920100000000, 0.0001579700000000, -0.0006546300000000 ] - [ -0.0000080700000000, -0.0002381800000000, 0.0008797800000000 ] - [ -0.0005022300000000, -0.0001261300000000, 0.0002222300000000 ] - [ -0.0000052400000000, -0.0005852700000000, -0.0005955700000000 ] - [ -0.0000038400000000, -0.0004225100000000, -0.0006122400000000 ] - [ -0.0009888200000000, 0.0005045600000000, 0.0006104100000000 ] - [ 0.0005196800000000, 0.0005032800000000, 0.0006019100000000 ] - [ 0.0000006600000000, 0.0005226400000000, -0.0007205300000000 ] - [ 0.0000024700000000, 0.0004875400000000, -0.0004857400000000 ] - [ -0.0000960100000000, -0.0005047500000000, 0.0006031100000000 ] - [ 0.0000984700000000, -0.0005048800000000, 0.0006035700000000 ] - [ -0.0010378400000000, -0.0009158300000000, -0.0010287300000000 ] - [ 0.0005211300000000, -0.0009249000000000, -0.0010283800000000 ] - [ 0.0000300400000000, 0.0006556900000000, 0.0008690500000000 ] - [ 0.0000321000000000, 0.0011909700000000, 0.0011882800000000 ] - [ 0.0008991100000000, -0.0010730200000000, 0.0002678400000000 ] - [ 0.0011405600000000, 0.0030602000000000, -0.0030673900000000 ] - [ -0.0000909100000000, 0.0006130300000000, -0.0000233200000000 ] - [ 0.0000877300000000, 0.0006554500000000, 0.0000314300000000 ] - [ 0.0000867000000000, 0.0006032800000000, -0.0000312200000000 ] - [ -0.0000903600000000, 0.0006462300000000, 0.0000240300000000 ] - [ 0.0011202100000000, -0.0043425800000000, 0.0030762900000000 ] - [ 0.0009011900000000, -0.0001927400000000, -0.0002631900000000 ] - [ 0.0001664000000000, -0.0013462700000000, 0.0013582000000000 ] - [ 0.0001690600000000, -0.0004997900000000, 0.0006985100000000 ] - [ -0.0000984300000000, 0.0009235300000000, -0.0010282500000000 ] - [ 0.0001002900000000, 0.0009230200000000, -0.0010284700000000 ] - [ 0.0000150500000000, -0.0010246600000000, 0.0002047700000000 ] - [ 0.0000105600000000, 0.0000660600000000, 0.0002524200000000 ] - [ 0.0019393300000000, 0.0004794100000000, -0.0002336000000000 ] - [ -0.0008797500000000, 0.0004761600000000, -0.0002244400000000 ] - [ -0.0000243900000000, 0.0003883700000000, 0.0003575200000000 ] - [ -0.0000282900000000, 0.0005732700000000, 0.0000964600000000 ] - [ 0.0003017900000000, -0.0004798900000000, -0.0002264300000000 ] - [ -0.0002987500000000, -0.0004820500000000, -0.0002277800000000 ] - [ 0.0100825200000000, 0.0000241100000000, 0.0000454800000000 ] - [ -0.0021272600000000, 0.0000037200000000, 0.0000085800000000 ] - [ -0.0000097600000000, -0.0000249100000000, -0.0005483800000000 ] - [ -0.0000154500000000, 0.0000257900000000, 0.0005455100000000 ] - [ 0.0103417500000000, -0.0004916400000000, 0.0002413000000000 ] - [ -0.0018331600000000, -0.0004685600000000, 0.0002279000000000 ] - [ 0.0000069000000000, 0.0006184200000000, -0.0001195700000000 ] - [ 0.0000049600000000, 0.0003340700000000, -0.0003375400000000 ] - [ 0.0001384600000000, 0.0004801300000000, 0.0002267300000000 ] - [ -0.0001491500000000, 0.0004801500000000, 0.0002268200000000 ] - [ -0.0009074000000000, 0.0001395200000000, -0.0016877300000000 ] - [ -0.0009188600000000, -0.0010948300000000, 0.0012318300000000 ] - [ 0.0000103300000000, 0.0000156100000000, 0.0000588900000000 ] - [ 0.0000077400000000, -0.0000170100000000, -0.0000585200000000 ] - [ 0.0001466900000000, -0.0000002800000000, 0.0000001100000000 ] - [ -0.0001496900000000, -0.0000002600000000, -0.0000001700000000 ] - [ 0.0015314200000000, -0.0003697800000000, 0.0001409000000000 ] - [ -0.0009036900000000, -0.0003777700000000, 0.0001402400000000 ] - [ -0.0001193000000000, -0.0000435100000000, 0.0001522300000000 ] - [ -0.0001233600000000, 0.0007892800000000, -0.0004292900000000 ] - [ 0.0001676800000000, 0.0003736900000000, 0.0001395900000000 ] - [ -0.0001641900000000, 0.0003729000000000, 0.0001392800000000 ] - [ -0.0000256500000000, -0.0006436700000000, -0.0004349700000000 ] - [ -0.0000287300000000, -0.0001038000000000, 0.0001537800000000 ] - [ 0.0020328000000000, 0.0004674200000000, -0.0003168900000000 ] - [ 0.0017895000000000, 0.0005343800000000, -0.0000814200000000 ] - [ 0.0001433800000000, -0.0004843400000000, 0.0001982200000000 ] - [ -0.0001483000000000, -0.0004849100000000, 0.0001987100000000 ] - [ 0.0000014800000000, -0.0005076000000000, -0.0001932300000000 ] - [ 0.0000007000000000, -0.0004503700000000, -0.0002034800000000 ] - [ 0.0014680700000000, 0.0004804700000000, 0.0001939200000000 ] - [ -0.0008402700000000, 0.0004788800000000, 0.0001942400000000 ] - [ -0.0003689700000000, 0.0005018300000000, 0.0001874200000000 ] - [ -0.0003753900000000, -0.0012483200000000, 0.0000926600000000 ] - [ 0.0006744400000000, 0.0003708500000000, -0.0001414700000000 ] - [ -0.0003554800000000, 0.0003741700000000, -0.0001388600000000 ] - [ -0.0000022200000000, 0.0004587200000000, 0.0001172800000000 ] - [ -0.0000034000000000, 0.0002874800000000, 0.0001613700000000 ] - [ 0.0005513600000000, -0.0003742700000000, -0.0001382500000000 ] - [ -0.0003396400000000, -0.0003722500000000, -0.0001400100000000 ] - [ 0.0002158500000000, 0.0004835800000000, -0.0001980900000000 ] - [ -0.0002182500000000, 0.0004839800000000, -0.0001981100000000 ] - [ -0.0003389900000000, -0.0003548600000000, 0.0010549800000000 ] - [ -0.0003458800000000, -0.0006120200000000, -0.0006571000000000 ] - [ 0.0002669100000000, -0.0004790100000000, -0.0001983200000000 ] - [ -0.0002529700000000, -0.0004784400000000, -0.0001984400000000 ] - [ 0.0000003600000000, 0.0005443000000000, 0.0001408500000000 ] - [ -0.0000007100000000, 0.0004127300000000, 0.0002557800000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012871100000000, -0.0008558300000000, -0.0027481400000000 ] - [ -0.0003839800000000, -0.0001585700000000, 0.0004696300000000 ] - [ -0.0000487500000000, 0.0001980600000000, -0.0007067900000000 ] - [ -0.0009934800000000, 0.0010235200000000, -0.0009859900000000 ] - [ 0.0003014200000000, 0.0000403100000000, 0.0006984400000000 ] - [ 0.0002133800000000, 0.0001690200000000, 0.0008160800000000 ] - [ 0.0004192800000000, -0.0000571400000000, -0.0005097400000000 ] - [ 0.0002257100000000, -0.0000478900000000, -0.0006184300000000 ] - [ 0.0009934800000000, 0.0010235200000000, -0.0009859900000000 ] - [ 0.0000487500000000, 0.0001980600000000, -0.0007067900000000 ] - [ 0.0003839800000000, -0.0001585700000000, 0.0004696300000000 ] - [ -0.0012871100000000, -0.0008558300000000, -0.0027481400000000 ] - [ -0.0002257100000000, -0.0000478900000000, -0.0006184300000000 ] - [ -0.0004192800000000, -0.0000571400000000, -0.0005097400000000 ] - [ -0.0002133800000000, 0.0001690200000000, 0.0008160800000000 ] - [ -0.0003014200000000, 0.0000403100000000, 0.0006984400000000 ] - [ 0.0000000000000000, -0.0506720200000000, -0.0138664000000000 ] - [ 0.0000000000000000, -0.0009468300000000, -0.0006162700000000 ] - [ 0.0000445100000000, 0.0008687800000000, 0.0005387000000000 ] - [ -0.0000445100000000, 0.0008687800000000, 0.0005387000000000 ] - [ 0.0000000000000000, 0.0007531000000000, -0.0006445300000000 ] - [ 0.0000000000000000, 0.0006503800000000, -0.0006140700000000 ] - [ -0.0000053400000000, -0.0012431000000000, 0.0006016700000000 ] - [ 0.0000053400000000, -0.0012431000000000, 0.0006016700000000 ] - [ 0.0010434100000000, -0.0006885900000000, -0.0008986700000000 ] - [ -0.0010434100000000, -0.0006885900000000, -0.0008986700000000 ] - [ 0.0000000000000000, 0.0011607700000000, 0.0003105400000000 ] - [ 0.0000000000000000, 0.0009126300000000, 0.0009276400000000 ] - [ 0.0003502400000000, 0.0000941800000000, 0.0004294700000000 ] - [ -0.0001693900000000, -0.0003586700000000, 0.0001201900000000 ] - [ 0.0000208800000000, 0.0003909000000000, -0.0000400200000000 ] - [ -0.0001248900000000, 0.0003150600000000, -0.0003089700000000 ] - [ 0.0001248900000000, 0.0003150600000000, -0.0003089700000000 ] - [ -0.0000208800000000, 0.0003909000000000, -0.0000400200000000 ] - [ 0.0001693900000000, -0.0003586700000000, 0.0001201900000000 ] - [ -0.0003502400000000, 0.0000941800000000, 0.0004294700000000 ] - [ 0.0000000000000000, -0.0005493800000000, 0.0020521100000000 ] - [ 0.0000000000000000, -0.0009599300000000, 0.0011112700000000 ] - [ 0.0000654000000000, 0.0009317300000000, -0.0010706400000000 ] - [ -0.0000654000000000, 0.0009317300000000, -0.0010706400000000 ] - [ -0.0003277000000000, 0.0005165600000000, 0.0007199100000000 ] - [ -0.0001778800000000, 0.0007670000000000, 0.0006779100000000 ] - [ -0.0092081000000000, 0.0071223500000000, 0.0093938800000000 ] - [ -0.0000694700000000, -0.0006804800000000, -0.0007236000000000 ] - [ 0.0003119400000000, -0.0006706500000000, 0.0001902300000000 ] - [ 0.0003591000000000, -0.0003700000000000, 0.0005377600000000 ] - [ 0.0002555900000000, 0.0003133000000000, -0.0006545200000000 ] - [ 0.0002982900000000, 0.0004273200000000, -0.0006927600000000 ] - [ 0.0000694700000000, -0.0006804800000000, -0.0007236000000000 ] - [ 0.0092081000000000, 0.0071223500000000, 0.0093938800000000 ] - [ 0.0001778800000000, 0.0007670000000000, 0.0006779100000000 ] - [ 0.0003277000000000, 0.0005165600000000, 0.0007199100000000 ] - [ -0.0002982900000000, 0.0004273200000000, -0.0006927600000000 ] - [ -0.0002555900000000, 0.0003133000000000, -0.0006545200000000 ] - [ -0.0003591000000000, -0.0003700000000000, 0.0005377600000000 ] - [ -0.0003119400000000, -0.0006706500000000, 0.0001902300000000 ] - [ 0.0000823200000000, 0.0001254200000000, -0.0005582100000000 ] - [ -0.0000823200000000, 0.0001254200000000, -0.0005582100000000 ] - [ 0.0000000000000000, -0.0009140200000000, 0.0012128800000000 ] - [ 0.0000000000000000, 0.0002276800000000, 0.0005619500000000 ] - [ 0.0000171900000000, 0.0002669800000000, -0.0005201000000000 ] - [ -0.0000171900000000, 0.0002669800000000, -0.0005201000000000 ] - [ 0.0000000000000000, -0.0000081500000000, 0.0006570100000000 ] - [ 0.0000000000000000, -0.0002832100000000, 0.0006100000000000 ] - [ 0.0000000000000000, 0.0019272300000000, -0.0011366700000000 ] - [ 0.0000000000000000, -0.0008652900000000, -0.0010664100000000 ] - [ -0.0002572400000000, 0.0010938000000000, 0.0012946900000000 ] - [ 0.0002572400000000, 0.0010938000000000, 0.0012946900000000 ] - [ -0.0004249000000000, -0.0010386700000000, 0.0000481600000000 ] - [ 0.0049684500000000, 0.0020653800000000, -0.0045400700000000 ] - [ -0.0000531500000000, 0.0009393300000000, 0.0000968300000000 ] - [ 0.0000427300000000, 0.0008114800000000, 0.0000421700000000 ] - [ -0.0000427300000000, 0.0008114800000000, 0.0000421700000000 ] - [ 0.0000531500000000, 0.0009393300000000, 0.0000968300000000 ] - [ -0.0049684500000000, 0.0020653800000000, -0.0045400700000000 ] - [ 0.0004249000000000, -0.0010386700000000, 0.0000481600000000 ] - [ -0.0004185400000000, -0.0004476600000000, 0.0005916000000000 ] - [ 0.0004185400000000, -0.0004476600000000, 0.0005916000000000 ] - [ 0.0000000000000000, 0.0009386000000000, -0.0009445300000000 ] - [ 0.0000000000000000, 0.0009423400000000, -0.0010169100000000 ] - [ -0.0007849600000000, -0.0015162800000000, 0.0000471200000000 ] - [ 0.0007849600000000, -0.0015162800000000, 0.0000471200000000 ] - [ 0.0000000000000000, 0.0014353200000000, 0.0014114000000000 ] - [ 0.0000000000000000, 0.0008684700000000, -0.0000428100000000 ] - [ -0.0001639600000000, 0.0008240900000000, 0.0002569900000000 ] - [ 0.0001639600000000, 0.0008240900000000, 0.0002569900000000 ] - [ 0.0000000000000000, -0.0015559200000000, -0.0009927200000000 ] - [ 0.0000000000000000, -0.0007751400000000, -0.0003881700000000 ] - [ 0.0000000000000000, 0.0140238500000000, 0.0051832700000000 ] - [ 0.0000000000000000, 0.0007346700000000, 0.0001972400000000 ] - [ -0.0000539400000000, 0.0005568800000000, 0.0000324900000000 ] - [ 0.0000539400000000, 0.0005568800000000, 0.0000324900000000 ] - [ 0.0000000000000000, 0.0111629600000000, 0.0013440200000000 ] - [ 0.0000000000000000, 0.0001815000000000, 0.0001680200000000 ] - [ 0.0001425100000000, -0.0001152300000000, -0.0003675900000000 ] - [ -0.0001425100000000, -0.0001152300000000, -0.0003675900000000 ] - [ 0.0000000000000000, 0.0000524200000000, 0.0001542900000000 ] - [ 0.0000000000000000, 0.0002491100000000, 0.0002016100000000 ] - [ 0.0016429000000000, 0.0001839000000000, 0.0012483000000000 ] - [ -0.0016429000000000, 0.0001839000000000, 0.0012483000000000 ] - [ -0.0002162100000000, -0.0009932500000000, 0.0001273400000000 ] - [ 0.0002162100000000, -0.0009932500000000, 0.0001273400000000 ] - [ 0.0000000000000000, -0.0005437500000000, -0.0000695000000000 ] - [ 0.0000000000000000, -0.0002995100000000, -0.0000297600000000 ] - [ 0.0000000000000000, -0.0010675100000000, 0.0001027200000000 ] - [ 0.0000000000000000, -0.0003938500000000, 0.0001704300000000 ] - [ -0.0004824900000000, 0.0002433300000000, 0.0002781700000000 ] - [ 0.0004824900000000, 0.0002433300000000, 0.0002781700000000 ] - [ 0.0000000000000000, 0.0003522000000000, 0.0001055200000000 ] - [ 0.0000000000000000, 0.0003891300000000, 0.0001300700000000 ] - [ -0.0003261400000000, -0.0003986500000000, -0.0004887800000000 ] - [ 0.0003261400000000, -0.0003986500000000, -0.0004887800000000 ] - [ 0.0001010300000000, 0.0028503900000000, -0.0003182100000000 ] - [ -0.0001010300000000, 0.0028503900000000, -0.0003182100000000 ] - [ 0.0000000000000000, -0.0011409100000000, 0.0004904800000000 ] - [ 0.0000000000000000, -0.0007634600000000, 0.0002625600000000 ] - [ -0.0000227300000000, -0.0007094600000000, -0.0001977400000000 ] - [ 0.0000227300000000, -0.0007094600000000, -0.0001977400000000 ] - [ 0.0000000000000000, 0.0024780900000000, 0.0006497500000000 ] - [ 0.0000000000000000, 0.0008035000000000, 0.0001241700000000 ] - [ 0.0010436200000000, -0.0012901700000000, 0.0000809800000000 ] - [ -0.0010436200000000, -0.0012901700000000, 0.0000809800000000 ] - [ 0.0000000000000000, -0.0005900900000000, -0.0011375500000000 ] - [ 0.0000000000000000, 0.0003114700000000, -0.0002541500000000 ] - [ 0.0000807100000000, 0.0003270100000000, 0.0001663300000000 ] - [ -0.0000807100000000, 0.0003270100000000, 0.0001663300000000 ] - [ 0.0000000000000000, -0.0009340300000000, 0.0006730200000000 ] - [ 0.0000000000000000, -0.0004520700000000, -0.0000117900000000 ] - [ 0.0000000000000000, -0.0007973400000000, -0.0001929000000000 ] - [ 0.0000000000000000, 0.0000382500000000, -0.0001717300000000 ] - [ 0.0003585400000000, 0.0003408400000000, -0.0002833300000000 ] - [ -0.0003585400000000, 0.0003408400000000, -0.0002833300000000 ] - [ 0.0000000000000000, -0.0001085000000000, -0.0003092000000000 ] - [ 0.0000000000000000, -0.0002975800000000, -0.0002109700000000 ] - [ -0.0000015600000000, -0.0000042300000000, 0.0001797900000000 ] - [ 0.0000015600000000, -0.0000042300000000, 0.0001797900000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0018292200000000, 0.0011235700000000, 0.0040500600000000 ] - [ -0.0001506900000000, 0.0004507400000000, 0.0008244000000000 ] - [ -0.0004855100000000, -0.0004927000000000, -0.0005844100000000 ] - [ 0.0004496000000000, -0.0013114300000000, -0.0003084300000000 ] - [ 0.0002347500000000, -0.0003337000000000, 0.0005918200000000 ] - [ 0.0003226500000000, -0.0004623200000000, 0.0004752200000000 ] - [ 0.0001145500000000, 0.0003489700000000, -0.0007834900000000 ] - [ 0.0003112400000000, 0.0003400800000000, -0.0006729400000000 ] - [ -0.0004496000000000, -0.0013114300000000, -0.0003084300000000 ] - [ 0.0004855100000000, -0.0004927000000000, -0.0005844100000000 ] - [ 0.0001506900000000, 0.0004507400000000, 0.0008244000000000 ] - [ 0.0018292200000000, 0.0011235700000000, 0.0040500600000000 ] - [ -0.0003112400000000, 0.0003400800000000, -0.0006729400000000 ] - [ -0.0001145500000000, 0.0003489700000000, -0.0007834900000000 ] - [ -0.0003226500000000, -0.0004623200000000, 0.0004752200000000 ] - [ -0.0002347500000000, -0.0003337000000000, 0.0005918200000000 ] - [ 0.0000000000000000, 0.0514927800000000, 0.0127411700000000 ] - [ 0.0000000000000000, -0.0000579800000000, -0.0005914800000000 ] - [ -0.0000439400000000, 0.0001391100000000, 0.0006678000000000 ] - [ 0.0000439400000000, 0.0001391100000000, 0.0006678000000000 ] - [ 0.0000000000000000, 0.0002564100000000, -0.0005625000000000 ] - [ 0.0000000000000000, 0.0003593100000000, -0.0005925900000000 ] - [ 0.0000037000000000, 0.0002353600000000, 0.0006009900000000 ] - [ -0.0000037000000000, 0.0002353600000000, 0.0006009900000000 ] - [ -0.0010369300000000, -0.0011605600000000, -0.0011587600000000 ] - [ 0.0010369300000000, -0.0011605600000000, -0.0011587600000000 ] - [ 0.0000000000000000, 0.0006772000000000, 0.0017440100000000 ] - [ 0.0000000000000000, 0.0009301500000000, 0.0011303400000000 ] - [ -0.0003463000000000, -0.0013503600000000, -0.0004260900000000 ] - [ 0.0001686100000000, -0.0009003300000000, -0.0001205200000000 ] - [ -0.0000209700000000, 0.0008667600000000, 0.0000407000000000 ] - [ 0.0001266000000000, 0.0009419400000000, 0.0003116200000000 ] - [ -0.0001266000000000, 0.0009419400000000, 0.0003116200000000 ] - [ 0.0000209700000000, 0.0008667600000000, 0.0000407000000000 ] - [ -0.0001686100000000, -0.0009003300000000, -0.0001205200000000 ] - [ 0.0003463000000000, -0.0013503600000000, -0.0004260900000000 ] - [ 0.0000000000000000, -0.0012970600000000, 0.0000118700000000 ] - [ 0.0000000000000000, -0.0008854500000000, 0.0009450700000000 ] - [ -0.0000661000000000, 0.0009111600000000, -0.0009868900000000 ] - [ 0.0000661000000000, 0.0009111600000000, -0.0009868900000000 ] - [ -0.0002079600000000, -0.0002229400000000, 0.0005703200000000 ] - [ -0.0003587400000000, -0.0004728600000000, 0.0006116500000000 ] - [ 0.0087828000000000, -0.0074674500000000, -0.0108177400000000 ] - [ -0.0004663800000000, 0.0003911900000000, -0.0005667500000000 ] - [ 0.0002237800000000, 0.0003807300000000, 0.0011012500000000 ] - [ 0.0001773000000000, 0.0000784100000000, 0.0007527900000000 ] - [ 0.0002806300000000, -0.0000197600000000, -0.0006364100000000 ] - [ 0.0002376400000000, -0.0001340000000000, -0.0005979700000000 ] - [ 0.0004663800000000, 0.0003911900000000, -0.0005667500000000 ] - [ -0.0087828000000000, -0.0074674500000000, -0.0108177400000000 ] - [ 0.0003587400000000, -0.0004728600000000, 0.0006116500000000 ] - [ 0.0002079600000000, -0.0002229400000000, 0.0005703200000000 ] - [ -0.0002376400000000, -0.0001340000000000, -0.0005979700000000 ] - [ -0.0002806300000000, -0.0000197600000000, -0.0006364100000000 ] - [ -0.0001773000000000, 0.0000784100000000, 0.0007527900000000 ] - [ -0.0002237800000000, 0.0003807300000000, 0.0011012500000000 ] - [ -0.0000809300000000, -0.0011332900000000, -0.0006490300000000 ] - [ 0.0000809300000000, -0.0011332900000000, -0.0006490300000000 ] - [ 0.0000000000000000, 0.0019274000000000, 0.0000060000000000 ] - [ 0.0000000000000000, 0.0007815000000000, 0.0006461000000000 ] - [ -0.0000178500000000, 0.0007431900000000, -0.0006860000000000 ] - [ 0.0000178500000000, 0.0007431900000000, -0.0006860000000000 ] - [ 0.0000000000000000, -0.0010013700000000, 0.0005504300000000 ] - [ 0.0000000000000000, -0.0007265200000000, 0.0005961400000000 ] - [ 0.0000000000000000, -0.0037841100000000, -0.0009231900000000 ] - [ 0.0000000000000000, -0.0009776000000000, -0.0009909900000000 ] - [ 0.0002576000000000, 0.0007523900000000, 0.0007614700000000 ] - [ -0.0002576000000000, 0.0007523900000000, 0.0007614700000000 ] - [ 0.0004257100000000, -0.0002162100000000, -0.0000498300000000 ] - [ -0.0050098100000000, -0.0033411600000000, 0.0045755700000000 ] - [ 0.0000535300000000, 0.0003195500000000, -0.0000973300000000 ] - [ -0.0000426500000000, 0.0004473300000000, -0.0000425600000000 ] - [ 0.0000426500000000, 0.0004473300000000, -0.0000425600000000 ] - [ -0.0000535300000000, 0.0003195500000000, -0.0000973300000000 ] - [ 0.0050098100000000, -0.0033411600000000, 0.0045755700000000 ] - [ -0.0004257100000000, -0.0002162100000000, -0.0000498300000000 ] - [ 0.0004198200000000, -0.0013965700000000, 0.0014670200000000 ] - [ -0.0004198200000000, -0.0013965700000000, 0.0014670200000000 ] - [ 0.0000000000000000, 0.0009073100000000, -0.0011132500000000 ] - [ 0.0000000000000000, 0.0009030200000000, -0.0010410000000000 ] - [ 0.0007755900000000, 0.0005603300000000, 0.0004078200000000 ] - [ -0.0007755900000000, 0.0005603300000000, 0.0004078200000000 ] - [ 0.0000000000000000, -0.0004701200000000, -0.0018791100000000 ] - [ 0.0000000000000000, 0.0000875200000000, -0.0004174600000000 ] - [ 0.0001653900000000, 0.0001397700000000, 0.0001964500000000 ] - [ -0.0001653900000000, 0.0001397700000000, 0.0001964500000000 ] - [ 0.0000000000000000, 0.0005906000000000, 0.0005303300000000 ] - [ 0.0000000000000000, -0.0001861600000000, -0.0000664300000000 ] - [ 0.0000000000000000, -0.0139600900000000, -0.0051998300000000 ] - [ 0.0000000000000000, -0.0007373000000000, -0.0002017800000000 ] - [ 0.0000555400000000, -0.0005582900000000, -0.0000311700000000 ] - [ -0.0000555400000000, -0.0005582900000000, -0.0000311700000000 ] - [ 0.0000000000000000, -0.0139403700000000, -0.0007173300000000 ] - [ 0.0000000000000000, -0.0011425500000000, 0.0002898500000000 ] - [ -0.0001433100000000, 0.0010688900000000, -0.0000884400000000 ] - [ 0.0001433100000000, 0.0010688900000000, -0.0000884400000000 ] - [ 0.0000000000000000, 0.0009094700000000, 0.0002991900000000 ] - [ 0.0000000000000000, 0.0007127200000000, 0.0002514000000000 ] - [ -0.0016458100000000, -0.0011527700000000, -0.0017033600000000 ] - [ 0.0016458100000000, -0.0011527700000000, -0.0017033600000000 ] - [ 0.0002118600000000, 0.0009903300000000, -0.0001252700000000 ] - [ -0.0002118600000000, 0.0009903300000000, -0.0001252700000000 ] - [ 0.0000000000000000, 0.0005435800000000, 0.0000676000000000 ] - [ 0.0000000000000000, 0.0002996900000000, 0.0000291900000000 ] - [ 0.0000000000000000, 0.0004454900000000, 0.0001589300000000 ] - [ 0.0000000000000000, -0.0003477600000000, 0.0001097100000000 ] - [ 0.0004805100000000, 0.0005076900000000, -0.0005561100000000 ] - [ -0.0004805100000000, 0.0005076900000000, -0.0005561100000000 ] - [ 0.0000000000000000, 0.0003962900000000, 0.0001734500000000 ] - [ 0.0000000000000000, 0.0003579800000000, 0.0001491600000000 ] - [ 0.0003240700000000, -0.0003443100000000, 0.0002065800000000 ] - [ -0.0003240700000000, -0.0003443100000000, 0.0002065800000000 ] - [ -0.0001002700000000, -0.0018790100000000, -0.0000759400000000 ] - [ 0.0001002700000000, -0.0018790100000000, -0.0000759400000000 ] - [ 0.0000000000000000, 0.0001702700000000, -0.0000894700000000 ] - [ 0.0000000000000000, -0.0002046800000000, 0.0001348100000000 ] - [ 0.0000223100000000, -0.0002475400000000, -0.0001995400000000 ] - [ -0.0000223100000000, -0.0002475400000000, -0.0001995400000000 ] - [ 0.0000000000000000, -0.0015196400000000, -0.0002652700000000 ] - [ 0.0000000000000000, 0.0001546700000000, 0.0002748000000000 ] - [ -0.0010466900000000, 0.0005422400000000, 0.0001994900000000 ] - [ 0.0010466900000000, 0.0005422400000000, 0.0001994900000000 ] - [ 0.0000000000000000, 0.0013343900000000, 0.0008587200000000 ] - [ 0.0000000000000000, 0.0004328500000000, -0.0000265100000000 ] - [ -0.0000807100000000, 0.0004177200000000, 0.0001129200000000 ] - [ 0.0000807100000000, 0.0004177200000000, 0.0001129200000000 ] - [ 0.0000000000000000, 0.0001872700000000, -0.0009556900000000 ] - [ 0.0000000000000000, -0.0002953300000000, -0.0002678700000000 ] - [ 0.0000000000000000, 0.0017613600000000, -0.0002045700000000 ] - [ 0.0000000000000000, 0.0009295100000000, -0.0002254300000000 ] - [ -0.0003564400000000, -0.0013124800000000, 0.0006777100000000 ] - [ 0.0003564400000000, -0.0013124800000000, 0.0006777100000000 ] - [ 0.0000000000000000, -0.0008503800000000, -0.0000885800000000 ] - [ 0.0000000000000000, -0.0006606600000000, -0.0001863800000000 ] - [ 0.0000003200000000, 0.0009607900000000, 0.0002155700000000 ] - [ -0.0000003200000000, 0.0009607900000000, 0.0002155700000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0036517900000000, -0.0028608700000000, 0.0056198900000000 ] - [ -0.0001092700000000, 0.0001182900000000, 0.0003876400000000 ] - [ -0.0003185100000000, -0.0001817100000000, -0.0007960900000000 ] - [ -0.0002068200000000, -0.0002498600000000, -0.0007935500000000 ] - [ 0.0003296000000000, -0.0000391800000000, 0.0007312200000000 ] - [ 0.0002182600000000, 0.0000604100000000, 0.0007963700000000 ] - [ 0.0011685100000000, 0.0004840100000000, 0.0007793400000000 ] - [ 0.0000031400000000, 0.0002151700000000, -0.0002966000000000 ] - [ 0.0002068200000000, -0.0002498600000000, -0.0007935500000000 ] - [ 0.0003185100000000, -0.0001817100000000, -0.0007960900000000 ] - [ 0.0001092700000000, 0.0001182900000000, 0.0003876400000000 ] - [ 0.0036517900000000, -0.0028608700000000, 0.0056198900000000 ] - [ -0.0000031400000000, 0.0002151700000000, -0.0002966000000000 ] - [ -0.0011685100000000, 0.0004840100000000, 0.0007793400000000 ] - [ -0.0002182600000000, 0.0000604100000000, 0.0007963700000000 ] - [ -0.0003296000000000, -0.0000391800000000, 0.0007312200000000 ] - [ 0.0000000000000000, -0.0134626200000000, -0.0736927600000000 ] - [ 0.0000000000000000, -0.0005159700000000, -0.0009114800000000 ] - [ -0.0000414000000000, 0.0004402100000000, 0.0006960400000000 ] - [ 0.0000414000000000, 0.0004402100000000, 0.0006960400000000 ] - [ 0.0000000000000000, 0.0005468200000000, -0.0003664500000000 ] - [ 0.0000000000000000, 0.0005161100000000, -0.0004553400000000 ] - [ 0.0012060000000000, -0.0005063900000000, 0.0006867000000000 ] - [ -0.0012060000000000, -0.0005063900000000, 0.0006867000000000 ] - [ -0.0000403900000000, -0.0008896300000000, -0.0014617400000000 ] - [ 0.0000403900000000, -0.0008896300000000, -0.0014617400000000 ] - [ 0.0000000000000000, 0.0000292600000000, 0.0015958000000000 ] - [ 0.0000000000000000, 0.0008739700000000, 0.0011225200000000 ] - [ 0.0000592700000000, -0.0005174600000000, -0.0003743700000000 ] - [ -0.0000149900000000, -0.0005746700000000, -0.0001911500000000 ] - [ -0.0000855900000000, 0.0005602700000000, 0.0003527700000000 ] - [ 0.0003592600000000, 0.0004792000000000, 0.0012065100000000 ] - [ -0.0003592600000000, 0.0004792000000000, 0.0012065100000000 ] - [ 0.0000855900000000, 0.0005602700000000, 0.0003527700000000 ] - [ 0.0000149900000000, -0.0005746700000000, -0.0001911500000000 ] - [ -0.0000592700000000, -0.0005174600000000, -0.0003743700000000 ] - [ 0.0000000000000000, 0.0008042900000000, 0.0009888200000000 ] - [ 0.0000000000000000, -0.0007985300000000, 0.0009313700000000 ] - [ 0.0000394100000000, 0.0009706400000000, -0.0006377300000000 ] - [ -0.0000394100000000, 0.0009706400000000, -0.0006377300000000 ] - [ -0.0003241300000000, 0.0002041800000000, 0.0005870700000000 ] - [ -0.0001631000000000, 0.0003240400000000, 0.0005409200000000 ] - [ -0.0071672300000000, 0.0095177800000000, 0.0023840900000000 ] - [ -0.0000873500000000, -0.0001889500000000, -0.0009991000000000 ] - [ 0.0009240800000000, -0.0008065500000000, 0.0014620700000000 ] - [ -0.0001158600000000, -0.0003049000000000, 0.0009249400000000 ] - [ 0.0002833600000000, 0.0001173100000000, -0.0005346300000000 ] - [ 0.0002343900000000, 0.0000729500000000, -0.0004436800000000 ] - [ 0.0000873500000000, -0.0001889500000000, -0.0009991000000000 ] - [ 0.0071672300000000, 0.0095177800000000, 0.0023840900000000 ] - [ 0.0001631000000000, 0.0003240400000000, 0.0005409200000000 ] - [ 0.0003241300000000, 0.0002041800000000, 0.0005870700000000 ] - [ -0.0002343900000000, 0.0000729500000000, -0.0004436800000000 ] - [ -0.0002833600000000, 0.0001173100000000, -0.0005346300000000 ] - [ 0.0001158600000000, -0.0003049000000000, 0.0009249400000000 ] - [ -0.0009240800000000, -0.0008065500000000, 0.0014620700000000 ] - [ -0.0000086300000000, -0.0004590400000000, -0.0007990700000000 ] - [ 0.0000086300000000, -0.0004590400000000, -0.0007990700000000 ] - [ 0.0000000000000000, 0.0011043000000000, 0.0032640200000000 ] - [ 0.0000000000000000, 0.0004621300000000, 0.0007047000000000 ] - [ 0.0001187600000000, 0.0004210600000000, 0.0001347900000000 ] - [ -0.0001187600000000, 0.0004210600000000, 0.0001347900000000 ] - [ 0.0000000000000000, -0.0005576500000000, 0.0004959400000000 ] - [ 0.0000000000000000, -0.0005115800000000, 0.0005342900000000 ] - [ 0.0000000000000000, -0.0010115300000000, -0.0022963500000000 ] - [ 0.0000000000000000, -0.0009853200000000, -0.0012643700000000 ] - [ -0.0002079700000000, 0.0012698200000000, 0.0012392700000000 ] - [ 0.0002079700000000, 0.0012698200000000, 0.0012392700000000 ] - [ 0.0004152100000000, -0.0007065700000000, -0.0004246700000000 ] - [ -0.0038315000000000, -0.0048546300000000, 0.0009019900000000 ] - [ -0.0000390700000000, 0.0007171600000000, 0.0002816300000000 ] - [ 0.0000479800000000, 0.0006572200000000, 0.0001825300000000 ] - [ -0.0000479800000000, 0.0006572200000000, 0.0001825300000000 ] - [ 0.0000390700000000, 0.0007171600000000, 0.0002816300000000 ] - [ 0.0038315000000000, -0.0048546300000000, 0.0009019900000000 ] - [ -0.0004152100000000, -0.0007065700000000, -0.0004246700000000 ] - [ 0.0003719000000000, -0.0014594100000000, 0.0010852200000000 ] - [ -0.0003719000000000, -0.0014594100000000, 0.0010852200000000 ] - [ 0.0000000000000000, 0.0008416800000000, -0.0006143600000000 ] - [ 0.0000000000000000, 0.0009034600000000, -0.0008499700000000 ] - [ 0.0000390900000000, -0.0005045000000000, 0.0006779300000000 ] - [ -0.0000390900000000, -0.0005045000000000, 0.0006779300000000 ] - [ 0.0000000000000000, 0.0017952200000000, -0.0037061600000000 ] - [ 0.0000000000000000, 0.0005880100000000, -0.0004492400000000 ] - [ -0.0000904700000000, 0.0004373100000000, -0.0010543500000000 ] - [ 0.0000904700000000, 0.0004373100000000, -0.0010543500000000 ] - [ 0.0000000000000000, -0.0012442900000000, 0.0000738500000000 ] - [ 0.0000000000000000, -0.0006281400000000, -0.0000803600000000 ] - [ 0.0000000000000000, 0.0056905100000000, 0.0342794700000000 ] - [ 0.0000000000000000, 0.0000557500000000, 0.0004446900000000 ] - [ -0.0010626000000000, 0.0001628400000000, -0.0011373500000000 ] - [ 0.0010626000000000, 0.0001628400000000, -0.0011373500000000 ] - [ 0.0000000000000000, 0.0003348600000000, 0.0126057800000000 ] - [ 0.0000000000000000, -0.0004190100000000, 0.0009890900000000 ] - [ 0.0001504800000000, 0.0002504500000000, -0.0004286200000000 ] - [ -0.0001504800000000, 0.0002504500000000, -0.0004286200000000 ] - [ 0.0000000000000000, 0.0004623500000000, -0.0002974000000000 ] - [ 0.0000000000000000, 0.0004915300000000, -0.0000603600000000 ] - [ -0.0017925700000000, 0.0002218100000000, -0.0007281300000000 ] - [ 0.0017925700000000, 0.0002218100000000, -0.0007281300000000 ] - [ 0.0000942600000000, -0.0000084200000000, 0.0001635400000000 ] - [ -0.0000942600000000, -0.0000084200000000, 0.0001635400000000 ] - [ 0.0000000000000000, -0.0000521100000000, -0.0002264600000000 ] - [ 0.0000000000000000, -0.0000375200000000, -0.0001379900000000 ] - [ 0.0000000000000000, 0.0001147400000000, 0.0019506000000000 ] - [ 0.0000000000000000, -0.0003504300000000, 0.0003959900000000 ] - [ 0.0005000500000000, 0.0009135000000000, -0.0002981900000000 ] - [ -0.0005000500000000, 0.0009135000000000, -0.0002981900000000 ] - [ 0.0000000000000000, 0.0001090100000000, -0.0005991400000000 ] - [ 0.0000000000000000, 0.0003371900000000, -0.0001236600000000 ] - [ -0.0004755100000000, -0.0008773100000000, -0.0001719300000000 ] - [ 0.0004755100000000, -0.0008773100000000, -0.0001719300000000 ] - [ 0.0001622500000000, 0.0004108700000000, 0.0019933300000000 ] - [ -0.0001622500000000, 0.0004108700000000, 0.0019933300000000 ] - [ 0.0000000000000000, -0.0003526700000000, 0.0000937700000000 ] - [ 0.0000000000000000, -0.0004235300000000, 0.0001329100000000 ] - [ -0.0000148300000000, -0.0005107200000000, -0.0004259100000000 ] - [ 0.0000148300000000, -0.0005107200000000, -0.0004259100000000 ] - [ 0.0000000000000000, 0.0003730700000000, 0.0046851300000000 ] - [ 0.0000000000000000, 0.0004142700000000, 0.0003058700000000 ] - [ 0.0002618000000000, -0.0006187100000000, 0.0008888900000000 ] - [ -0.0002618000000000, -0.0006187100000000, 0.0008888900000000 ] - [ 0.0000000000000000, -0.0006516500000000, -0.0007297300000000 ] - [ 0.0000000000000000, 0.0002364000000000, -0.0001706900000000 ] - [ -0.0000636800000000, 0.0005058300000000, -0.0002632800000000 ] - [ 0.0000636800000000, 0.0005058300000000, -0.0002632800000000 ] - [ 0.0000000000000000, 0.0005096200000000, -0.0004689500000000 ] - [ 0.0000000000000000, -0.0002197600000000, -0.0001412700000000 ] - [ 0.0000000000000000, 0.0004686800000000, 0.0000901400000000 ] - [ 0.0000000000000000, 0.0004489800000000, -0.0000291000000000 ] - [ 0.0009821600000000, -0.0006922100000000, -0.0006006100000000 ] - [ -0.0009821600000000, -0.0006922100000000, -0.0006006100000000 ] - [ 0.0000000000000000, -0.0003609200000000, -0.0016410500000000 ] - [ 0.0000000000000000, -0.0004884100000000, -0.0006214000000000 ] - [ -0.0000616400000000, 0.0005591000000000, 0.0002807300000000 ] - [ 0.0000616400000000, 0.0005591000000000, 0.0002807300000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0031541400000000, 0.0031826400000000, -0.0043759300000000 ] - [ -0.0004271100000000, 0.0001732400000000, 0.0009086700000000 ] - [ -0.0002185600000000, -0.0001118300000000, -0.0004935500000000 ] - [ -0.0003278700000000, -0.0000452500000000, -0.0004953500000000 ] - [ 0.0002074300000000, -0.0002524400000000, 0.0005592500000000 ] - [ 0.0003179000000000, -0.0003507000000000, 0.0004940600000000 ] - [ -0.0006185300000000, -0.0001876000000000, -0.0020578100000000 ] - [ 0.0005295700000000, 0.0000776600000000, -0.0009942800000000 ] - [ 0.0003278700000000, -0.0000452500000000, -0.0004953500000000 ] - [ 0.0002185600000000, -0.0001118300000000, -0.0004935500000000 ] - [ 0.0004271100000000, 0.0001732400000000, 0.0009086700000000 ] - [ -0.0031541400000000, 0.0031826400000000, -0.0043759300000000 ] - [ -0.0005295700000000, 0.0000776600000000, -0.0009942800000000 ] - [ 0.0006185300000000, -0.0001876000000000, -0.0020578100000000 ] - [ -0.0003179000000000, -0.0003507000000000, 0.0004940600000000 ] - [ -0.0002074300000000, -0.0002524400000000, 0.0005592500000000 ] - [ 0.0000000000000000, 0.0131641900000000, 0.0751645000000000 ] - [ 0.0000000000000000, -0.0004908000000000, -0.0002970900000000 ] - [ 0.0000411700000000, 0.0005694000000000, 0.0005134900000000 ] - [ -0.0000411700000000, 0.0005694000000000, 0.0005134900000000 ] - [ 0.0000000000000000, 0.0004650600000000, -0.0008393500000000 ] - [ 0.0000000000000000, 0.0004947000000000, -0.0007508000000000 ] - [ -0.0011961400000000, -0.0005064400000000, 0.0005122900000000 ] - [ 0.0011961400000000, -0.0005064400000000, 0.0005122900000000 ] - [ 0.0000388700000000, -0.0009612800000000, -0.0005966000000000 ] - [ -0.0000388700000000, -0.0009612800000000, -0.0005966000000000 ] - [ 0.0000000000000000, 0.0018200000000000, 0.0004631800000000 ] - [ 0.0000000000000000, 0.0009709400000000, 0.0009361900000000 ] - [ -0.0000585000000000, -0.0007403500000000, 0.0003705400000000 ] - [ 0.0000155100000000, -0.0006836700000000, 0.0001891400000000 ] - [ 0.0000873300000000, 0.0006978800000000, -0.0003499600000000 ] - [ -0.0003608200000000, 0.0007797900000000, -0.0012054300000000 ] - [ 0.0003608200000000, 0.0007797900000000, -0.0012054300000000 ] - [ -0.0000873300000000, 0.0006978800000000, -0.0003499600000000 ] - [ -0.0000155100000000, -0.0006836700000000, 0.0001891400000000 ] - [ 0.0000585000000000, -0.0007403500000000, 0.0003705400000000 ] - [ 0.0000000000000000, -0.0026349500000000, 0.0010634400000000 ] - [ 0.0000000000000000, -0.0010467500000000, 0.0011238600000000 ] - [ -0.0000376000000000, 0.0008769200000000, -0.0014179300000000 ] - [ 0.0000376000000000, 0.0008769200000000, -0.0014179300000000 ] - [ -0.0002128500000000, 0.0000894900000000, 0.0007051400000000 ] - [ -0.0003730600000000, -0.0000300800000000, 0.0007516400000000 ] - [ 0.0066653900000000, -0.0098725900000000, -0.0036438500000000 ] - [ -0.0004479300000000, -0.0001014800000000, -0.0002887300000000 ] - [ -0.0003795100000000, 0.0005044400000000, -0.0001711900000000 ] - [ 0.0006495000000000, 0.0000105100000000, 0.0003648900000000 ] - [ 0.0002533100000000, 0.0001754500000000, -0.0007566500000000 ] - [ 0.0003019500000000, 0.0002198100000000, -0.0008475200000000 ] - [ 0.0004479300000000, -0.0001014800000000, -0.0002887300000000 ] - [ -0.0066653900000000, -0.0098725900000000, -0.0036438500000000 ] - [ 0.0003730600000000, -0.0000300800000000, 0.0007516400000000 ] - [ 0.0002128500000000, 0.0000894900000000, 0.0007051400000000 ] - [ -0.0003019500000000, 0.0002198100000000, -0.0008475200000000 ] - [ -0.0002533100000000, 0.0001754500000000, -0.0007566500000000 ] - [ -0.0006495000000000, 0.0000105100000000, 0.0003648900000000 ] - [ 0.0003795100000000, 0.0005044400000000, -0.0001711900000000 ] - [ 0.0000081200000000, -0.0005494700000000, -0.0004093000000000 ] - [ -0.0000081200000000, -0.0005494700000000, -0.0004093000000000 ] - [ 0.0000000000000000, -0.0001024900000000, -0.0020640900000000 ] - [ 0.0000000000000000, 0.0005469000000000, 0.0005061900000000 ] - [ -0.0001159500000000, 0.0005872400000000, -0.0013381500000000 ] - [ 0.0001159500000000, 0.0005872400000000, -0.0013381500000000 ] - [ 0.0000000000000000, -0.0004519600000000, 0.0007089400000000 ] - [ 0.0000000000000000, -0.0004984700000000, 0.0006715000000000 ] - [ 0.0000000000000000, -0.0008205600000000, 0.0002379600000000 ] - [ 0.0000000000000000, -0.0008589000000000, -0.0007931200000000 ] - [ 0.0002073600000000, 0.0005758500000000, 0.0008197900000000 ] - [ -0.0002073600000000, 0.0005758500000000, 0.0008197900000000 ] - [ -0.0004151200000000, -0.0005501900000000, 0.0004202400000000 ] - [ 0.0038196600000000, 0.0035732200000000, -0.0009262900000000 ] - [ 0.0000393500000000, 0.0005415500000000, -0.0002796700000000 ] - [ -0.0000476700000000, 0.0006013700000000, -0.0001810600000000 ] - [ 0.0000476700000000, 0.0006013700000000, -0.0001810600000000 ] - [ -0.0000393500000000, 0.0005415500000000, -0.0002796700000000 ] - [ -0.0038196600000000, 0.0035732200000000, -0.0009262900000000 ] - [ 0.0004151200000000, -0.0005501900000000, 0.0004202400000000 ] - [ -0.0003716700000000, -0.0003864100000000, 0.0009694700000000 ] - [ 0.0003716700000000, -0.0003864100000000, 0.0009694700000000 ] - [ 0.0000000000000000, 0.0010010100000000, -0.0014415100000000 ] - [ 0.0000000000000000, 0.0009416800000000, -0.0012065300000000 ] - [ -0.0000380400000000, -0.0004475400000000, -0.0002184000000000 ] - [ 0.0000380400000000, -0.0004475400000000, -0.0002184000000000 ] - [ 0.0000000000000000, -0.0008465600000000, 0.0032571400000000 ] - [ 0.0000000000000000, 0.0003676500000000, -0.0000129300000000 ] - [ 0.0000837300000000, 0.0005239900000000, 0.0015030300000000 ] - [ -0.0000837300000000, 0.0005239900000000, 0.0015030300000000 ] - [ 0.0000000000000000, 0.0002759200000000, -0.0005225700000000 ] - [ 0.0000000000000000, -0.0003349800000000, -0.0003704400000000 ] - [ 0.0000000000000000, -0.0063077600000000, -0.0372608300000000 ] - [ 0.0000000000000000, -0.0000561300000000, -0.0004524000000000 ] - [ 0.0010492300000000, -0.0001583600000000, 0.0011359800000000 ] - [ -0.0010492300000000, -0.0001583600000000, 0.0011359800000000 ] - [ 0.0000000000000000, -0.0013249000000000, -0.0121300500000000 ] - [ 0.0000000000000000, -0.0005404100000000, -0.0005293300000000 ] - [ -0.0001501300000000, 0.0007034000000000, -0.0000306200000000 ] - [ 0.0001501300000000, 0.0007034000000000, -0.0000306200000000 ] - [ 0.0000000000000000, 0.0005005200000000, 0.0007498700000000 ] - [ 0.0000000000000000, 0.0004711300000000, 0.0005132400000000 ] - [ 0.0017892300000000, -0.0011793600000000, 0.0002861300000000 ] - [ -0.0017892300000000, -0.0011793600000000, 0.0002861300000000 ] - [ -0.0000934200000000, 0.0000083000000000, -0.0001650500000000 ] - [ 0.0000934200000000, 0.0000083000000000, -0.0001650500000000 ] - [ 0.0000000000000000, 0.0000501500000000, 0.0002274800000000 ] - [ 0.0000000000000000, 0.0000368400000000, 0.0001390200000000 ] - [ 0.0000000000000000, -0.0008550600000000, -0.0016713700000000 ] - [ 0.0000000000000000, -0.0003923200000000, -0.0001173100000000 ] - [ -0.0005023800000000, -0.0001695100000000, 0.0000167600000000 ] - [ 0.0005023800000000, -0.0001695100000000, 0.0000167600000000 ] - [ 0.0000000000000000, 0.0006306600000000, 0.0008743400000000 ] - [ 0.0000000000000000, 0.0004076700000000, 0.0004019200000000 ] - [ 0.0004706300000000, 0.0001277800000000, -0.0001032900000000 ] - [ -0.0004706300000000, 0.0001277800000000, -0.0001032900000000 ] - [ -0.0001650800000000, 0.0005607500000000, -0.0023886600000000 ] - [ 0.0001650800000000, 0.0005607500000000, -0.0023886600000000 ] - [ 0.0000000000000000, -0.0006166900000000, 0.0003016800000000 ] - [ 0.0000000000000000, -0.0005451400000000, 0.0002633800000000 ] - [ 0.0000143200000000, -0.0004477800000000, 0.0000281100000000 ] - [ -0.0000143200000000, -0.0004477800000000, 0.0000281100000000 ] - [ 0.0000000000000000, 0.0006218800000000, -0.0039546800000000 ] - [ 0.0000000000000000, 0.0005436200000000, 0.0000966600000000 ] - [ -0.0002588800000000, -0.0001313600000000, -0.0006094600000000 ] - [ 0.0002588800000000, -0.0001313600000000, -0.0006094600000000 ] - [ 0.0000000000000000, 0.0013967300000000, 0.0004464200000000 ] - [ 0.0000000000000000, 0.0005088200000000, -0.0001098400000000 ] - [ 0.0000625700000000, 0.0002417800000000, 0.0005410100000000 ] - [ -0.0000625700000000, 0.0002417800000000, 0.0005410100000000 ] - [ 0.0000000000000000, -0.0012514900000000, 0.0001944500000000 ] - [ 0.0000000000000000, -0.0005258400000000, -0.0001352700000000 ] - [ 0.0000000000000000, 0.0004984500000000, -0.0004863300000000 ] - [ 0.0000000000000000, 0.0005188700000000, -0.0003674600000000 ] - [ -0.0009851800000000, -0.0002726700000000, 0.0009930900000000 ] - [ 0.0009851800000000, -0.0002726700000000, 0.0009930900000000 ] - [ 0.0000000000000000, -0.0005908400000000, 0.0012365800000000 ] - [ 0.0000000000000000, -0.0004679700000000, 0.0002232500000000 ] - [ 0.0000613800000000, 0.0003976900000000, 0.0001180900000000 ] - [ -0.0000613800000000, 0.0003976900000000, 0.0001180900000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0005173500000000, 0.0009425100000000, 0.0014310200000000 ] - [ 0.0002107300000000, -0.0004232200000000, 0.0001155200000000 ] - [ -0.0009510200000000, 0.0037964000000000, -0.0031905500000000 ] - [ 0.0008611300000000, -0.0009852100000000, -0.0003430900000000 ] - [ 0.0000681700000000, -0.0000299700000000, 0.0011314200000000 ] - [ 0.0005192100000000, -0.0002499400000000, 0.0004069200000000 ] - [ 0.0000944800000000, 0.0001531300000000, -0.0006985100000000 ] - [ 0.0004412600000000, 0.0001238100000000, -0.0005828900000000 ] - [ -0.0003638400000000, -0.0041161700000000, 0.0018856200000000 ] - [ 0.0014230600000000, 0.0006767900000000, -0.0009696500000000 ] - [ 0.0000217800000000, -0.0006395800000000, -0.0001336000000000 ] - [ 0.0007505900000000, 0.0007127300000000, 0.0011714300000000 ] - [ -0.0004434400000000, 0.0001415100000000, -0.0005944800000000 ] - [ -0.0000940300000000, 0.0001680200000000, -0.0007078500000000 ] - [ -0.0004697500000000, -0.0002684600000000, 0.0001560600000000 ] - [ -0.0000217200000000, -0.0000441200000000, 0.0008850700000000 ] - [ 0.0000974000000000, 0.0005330400000000, -0.0006415400000000 ] - [ 0.0000919000000000, -0.0015465200000000, -0.0005630300000000 ] - [ -0.0004432100000000, 0.0005026300000000, 0.0006074900000000 ] - [ 0.0002976900000000, 0.0005046100000000, 0.0006031700000000 ] - [ 0.0000026200000000, 0.0004393600000000, -0.0005660400000000 ] - [ 0.0000042000000000, 0.0005707700000000, -0.0006421700000000 ] - [ -0.0003253900000000, -0.0005034200000000, 0.0006012400000000 ] - [ 0.0002551600000000, -0.0005061100000000, 0.0006045200000000 ] - [ -0.0186983100000000, -0.0008151600000000, -0.0009949600000000 ] - [ 0.0029235300000000, -0.0009240000000000, -0.0010245200000000 ] - [ 0.0000389100000000, 0.0009303300000000, 0.0017006100000000 ] - [ 0.0000337200000000, 0.0009128100000000, 0.0003522600000000 ] - [ 0.0013594700000000, -0.0053011200000000, -0.0035085100000000 ] - [ 0.0010116900000000, -0.0002286700000000, 0.0003126300000000 ] - [ -0.0002047900000000, 0.0005998300000000, -0.0001630500000000 ] - [ 0.0001982800000000, 0.0006763600000000, 0.0001360500000000 ] - [ -0.0002075000000000, 0.0006668400000000, 0.0001565700000000 ] - [ 0.0001969500000000, 0.0005813800000000, -0.0001398600000000 ] - [ 0.0013204200000000, 0.0040430400000000, 0.0035357200000000 ] - [ 0.0010022300000000, -0.0010466300000000, -0.0002914300000000 ] - [ 0.0005299900000000, -0.0008087700000000, -0.0002306200000000 ] - [ 0.0005245300000000, -0.0010347900000000, 0.0022945900000000 ] - [ -0.0001478300000000, 0.0009161200000000, -0.0010294400000000 ] - [ 0.0001648200000000, 0.0009187300000000, -0.0010298700000000 ] - [ -0.0005635400000000, 0.0004225000000000, 0.0004560300000000 ] - [ -0.0000299200000000, 0.0000329100000000, 0.0007422400000000 ] - [ -0.0005324200000000, -0.0000186900000000, -0.0006593700000000 ] - [ -0.0000838800000000, -0.0003321100000000, -0.0007007100000000 ] - [ 0.0001282000000000, -0.0001031900000000, 0.0006138100000000 ] - [ 0.0004151000000000, -0.0002002300000000, 0.0006839700000000 ] - [ 0.0001849100000000, 0.0002146500000000, -0.0006122000000000 ] - [ 0.0003531400000000, 0.0000904100000000, -0.0006851000000000 ] - [ 0.0000092700000000, -0.0002779100000000, -0.0006172300000000 ] - [ 0.0004558500000000, 0.0000345300000000, -0.0005887800000000 ] - [ 0.0000006200000000, -0.0001236400000000, 0.0008054800000000 ] - [ 0.0005317300000000, 0.0002694900000000, 0.0005169200000000 ] - [ -0.0003562200000000, 0.0000825300000000, -0.0006794100000000 ] - [ -0.0001868800000000, 0.0002052700000000, -0.0006057900000000 ] - [ -0.0004096400000000, -0.0001912500000000, 0.0006756200000000 ] - [ -0.0001208700000000, -0.0000952800000000, 0.0006069500000000 ] - [ -0.0010784300000000, -0.0005181500000000, -0.0006081800000000 ] - [ 0.0005611400000000, -0.0005089100000000, -0.0006070900000000 ] - [ 0.0000252200000000, 0.0007625900000000, 0.0008123200000000 ] - [ 0.0000362800000000, 0.0002465900000000, 0.0003952800000000 ] - [ -0.0000996300000000, 0.0005062700000000, -0.0006143700000000 ] - [ 0.0001009500000000, 0.0005040300000000, -0.0006056300000000 ] - [ 0.0001681700000000, -0.0009244000000000, 0.0002318300000000 ] - [ 0.0001668000000000, -0.0000945000000000, 0.0010279400000000 ] - [ -0.0000062800000000, -0.0010662400000000, -0.0010314000000000 ] - [ -0.0000078900000000, -0.0006983200000000, -0.0010211300000000 ] - [ -0.0001062300000000, 0.0009061100000000, 0.0010283600000000 ] - [ 0.0000991700000000, 0.0009193900000000, 0.0010286400000000 ] - [ -0.0002252400000000, -0.0006740600000000, 0.0000056100000000 ] - [ 0.0001963100000000, -0.0005433700000000, -0.0000502700000000 ] - [ -0.0001026200000000, 0.0005850800000000, 0.0000382200000000 ] - [ 0.0001040900000000, 0.0006817700000000, -0.0000325800000000 ] - [ -0.0001020200000000, 0.0006762600000000, -0.0000377300000000 ] - [ 0.0001053000000000, 0.0005786800000000, 0.0000317300000000 ] - [ -0.0002205900000000, -0.0005835400000000, -0.0000054400000000 ] - [ 0.0001954800000000, -0.0007175700000000, 0.0000524500000000 ] - [ -0.0000944600000000, -0.0009191500000000, 0.0010276600000000 ] - [ 0.0001047600000000, -0.0009201200000000, 0.0010282000000000 ] - [ 0.0000004200000000, 0.0009166800000000, -0.0010237700000000 ] - [ -0.0000005200000000, 0.0009257800000000, -0.0010349900000000 ] - [ 0.0102447300000000, -0.0005808000000000, 0.0002166600000000 ] - [ -0.0023114200000000, -0.0004670700000000, 0.0002234400000000 ] - [ -0.0000970700000000, 0.0001617300000000, -0.0010377400000000 ] - [ -0.0000975200000000, 0.0007880400000000, 0.0005860300000000 ] - [ 0.0003247400000000, 0.0004761700000000, 0.0002337100000000 ] - [ -0.0003282200000000, 0.0004820800000000, 0.0002290700000000 ] - [ -0.0012102100000000, 0.0002626400000000, 0.0015360800000000 ] - [ -0.0011982600000000, -0.0012017800000000, -0.0020199500000000 ] - [ -0.0001047900000000, -0.0009989900000000, -0.0003322700000000 ] - [ -0.0001086200000000, 0.0010011700000000, 0.0003226100000000 ] - [ 0.0002815900000000, -0.0000012100000000, 0.0000032300000000 ] - [ -0.0002934100000000, 0.0000009800000000, -0.0000002400000000 ] - [ 0.0000348600000000, -0.0008839100000000, 0.0002642700000000 ] - [ 0.0000388900000000, -0.0000828300000000, 0.0001871200000000 ] - [ 0.0003651200000000, 0.0004771100000000, -0.0002249300000000 ] - [ -0.0003039300000000, 0.0004740400000000, -0.0002227400000000 ] - [ -0.0000021900000000, 0.0005697800000000, 0.0002040000000000 ] - [ -0.0000021900000000, 0.0003886800000000, 0.0002504500000000 ] - [ 0.0002728200000000, -0.0004825000000000, -0.0002257900000000 ] - [ -0.0003001500000000, -0.0004798200000000, -0.0002280500000000 ] - [ 0.0023979600000000, 0.0000125800000000, 0.0000165600000000 ] - [ -0.0010370700000000, 0.0000013900000000, 0.0000233700000000 ] - [ -0.0000526200000000, 0.0002066200000000, 0.0002913200000000 ] - [ -0.0000528500000000, -0.0002064800000000, -0.0002997200000000 ] - [ 0.0002482700000000, -0.0004698200000000, -0.0000169500000000 ] - [ 0.0004477200000000, -0.0002659800000000, 0.0002648400000000 ] - [ 0.0016671100000000, 0.0003695500000000, -0.0001458500000000 ] - [ -0.0009637000000000, 0.0003739500000000, -0.0001329200000000 ] - [ 0.0000015500000000, 0.0003401400000000, 0.0002118800000000 ] - [ 0.0000030900000000, 0.0004064800000000, 0.0000711100000000 ] - [ 0.0018236600000000, -0.0003707300000000, -0.0001337800000000 ] - [ -0.0007326800000000, -0.0003695600000000, -0.0001442300000000 ] - [ 0.0014751400000000, 0.0004931800000000, -0.0002029600000000 ] - [ -0.0009226900000000, 0.0004906800000000, -0.0002006700000000 ] - [ -0.0001233900000000, -0.0001515700000000, -0.0002704300000000 ] - [ -0.0001199900000000, -0.0008119300000000, 0.0006853200000000 ] - [ 0.0002118900000000, -0.0004782700000000, -0.0001982000000000 ] - [ -0.0001968300000000, -0.0004790200000000, -0.0001982600000000 ] - [ -0.0001231500000000, -0.0000350700000000, 0.0006143900000000 ] - [ -0.0001195400000000, 0.0009950600000000, -0.0002214300000000 ] - [ 0.0002343600000000, -0.0003837500000000, 0.0001405100000000 ] - [ -0.0002382100000000, -0.0003851100000000, 0.0001424700000000 ] - [ -0.0000032700000000, 0.0003976900000000, -0.0001923300000000 ] - [ -0.0000071600000000, 0.0003409900000000, -0.0000788700000000 ] - [ 0.0000942900000000, 0.0003724600000000, 0.0001431400000000 ] - [ -0.0000937600000000, 0.0003713300000000, 0.0001409500000000 ] - [ 0.0000024200000000, -0.0003423800000000, -0.0000934000000000 ] - [ 0.0000032100000000, -0.0004156800000000, -0.0002011500000000 ] - [ -0.0002573000000000, 0.0012795300000000, -0.0002618500000000 ] - [ -0.0002516900000000, -0.0003086700000000, -0.0001259200000000 ] - [ 0.0003092200000000, -0.0004861200000000, 0.0001960800000000 ] - [ -0.0002767200000000, -0.0004830900000000, 0.0001989500000000 ] - [ 0.0000023000000000, -0.0005302600000000, -0.0001981900000000 ] - [ -0.0000012200000000, -0.0004261000000000, -0.0001911300000000 ] - [ 0.0006622800000000, 0.0004785800000000, 0.0001873700000000 ] - [ -0.0003867200000000, 0.0004760500000000, 0.0001846900000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007777800000000, -0.0001053100000000, 0.0021146500000000 ] - [ -0.0006440300000000, -0.0001484600000000, 0.0007901800000000 ] - [ 0.0033947600000000, 0.0041675700000000, -0.0052231600000000 ] - [ -0.0004026700000000, -0.0005343200000000, -0.0006610000000000 ] - [ 0.0003236000000000, -0.0003807800000000, 0.0012928400000000 ] - [ 0.0000784500000000, -0.0003163800000000, 0.0008237200000000 ] - [ 0.0003148900000000, -0.0001251400000000, -0.0008428400000000 ] - [ 0.0002099600000000, -0.0000245300000000, -0.0007549200000000 ] - [ -0.0033947600000000, 0.0041675700000000, -0.0052231600000000 ] - [ 0.0004026700000000, -0.0005343200000000, -0.0006610000000000 ] - [ -0.0007777800000000, -0.0001053100000000, 0.0021146500000000 ] - [ 0.0006440300000000, -0.0001484600000000, 0.0007901800000000 ] - [ -0.0003148900000000, -0.0001251400000000, -0.0008428400000000 ] - [ -0.0002099600000000, -0.0000245300000000, -0.0007549200000000 ] - [ -0.0003236000000000, -0.0003807800000000, 0.0012928400000000 ] - [ -0.0000784500000000, -0.0003163800000000, 0.0008237200000000 ] - [ 0.0013296600000000, -0.0002646500000000, -0.0005682400000000 ] - [ -0.0013296600000000, -0.0002646500000000, -0.0005682400000000 ] - [ 0.0000000000000000, 0.0007435100000000, -0.0002920600000000 ] - [ 0.0000000000000000, 0.0004939900000000, 0.0005560200000000 ] - [ -0.0000549800000000, 0.0005139200000000, -0.0006503400000000 ] - [ 0.0000549800000000, 0.0005139200000000, -0.0006503400000000 ] - [ 0.0000000000000000, -0.0001284200000000, -0.0011073400000000 ] - [ 0.0000000000000000, -0.0005407400000000, 0.0004795100000000 ] - [ 0.0000000000000000, -0.0985302900000000, -0.0072361600000000 ] - [ 0.0000000000000000, -0.0013420400000000, -0.0011266400000000 ] - [ 0.0000093600000000, 0.0003282800000000, 0.0010762900000000 ] - [ -0.0000093600000000, 0.0003282800000000, 0.0010762900000000 ] - [ -0.0058008500000000, 0.0029720800000000, 0.0050066500000000 ] - [ 0.0005404800000000, -0.0009303300000000, -0.0000539700000000 ] - [ 0.0000061000000000, 0.0003714900000000, 0.0002044700000000 ] - [ 0.0000648100000000, 0.0004703100000000, 0.0000899800000000 ] - [ -0.0000061000000000, 0.0003714900000000, 0.0002044700000000 ] - [ -0.0000648100000000, 0.0004703100000000, 0.0000899800000000 ] - [ 0.0058008500000000, 0.0029720800000000, 0.0050066500000000 ] - [ -0.0005404800000000, -0.0009303300000000, -0.0000539700000000 ] - [ -0.0001106000000000, -0.0020296700000000, 0.0011476600000000 ] - [ 0.0001106000000000, -0.0020296700000000, 0.0011476600000000 ] - [ 0.0000000000000000, 0.0006056200000000, -0.0010475800000000 ] - [ 0.0000000000000000, 0.0006995500000000, -0.0010082900000000 ] - [ -0.0000904500000000, 0.0010786700000000, 0.0001682200000000 ] - [ -0.0003791200000000, 0.0004102500000000, 0.0004859900000000 ] - [ 0.0007330200000000, 0.0010568500000000, 0.0000287300000000 ] - [ -0.0006945200000000, 0.0002118300000000, -0.0005076300000000 ] - [ 0.0004349100000000, 0.0002043200000000, 0.0003114000000000 ] - [ 0.0002162500000000, 0.0000407000000000, 0.0005598900000000 ] - [ 0.0003576000000000, 0.0004053200000000, -0.0004412100000000 ] - [ 0.0002021000000000, 0.0003421800000000, -0.0005583600000000 ] - [ -0.0007330200000000, 0.0010568500000000, 0.0000287300000000 ] - [ 0.0006945200000000, 0.0002118300000000, -0.0005076300000000 ] - [ 0.0000904500000000, 0.0010786700000000, 0.0001682200000000 ] - [ 0.0003791200000000, 0.0004102500000000, 0.0004859900000000 ] - [ -0.0003576000000000, 0.0004053200000000, -0.0004412100000000 ] - [ -0.0002021000000000, 0.0003421800000000, -0.0005583600000000 ] - [ -0.0004349100000000, 0.0002043200000000, 0.0003114000000000 ] - [ -0.0002162500000000, 0.0000407000000000, 0.0005598900000000 ] - [ 0.0000000000000000, 0.0023554000000000, -0.0007007800000000 ] - [ 0.0000000000000000, -0.0004501600000000, -0.0006672300000000 ] - [ 0.0002667100000000, 0.0006755000000000, 0.0009499900000000 ] - [ -0.0002667100000000, 0.0006755000000000, 0.0009499900000000 ] - [ 0.0000000000000000, 0.0005210800000000, -0.0005241400000000 ] - [ 0.0000000000000000, 0.0005244100000000, -0.0005841600000000 ] - [ -0.0004235800000000, -0.0000319900000000, 0.0011404400000000 ] - [ 0.0004235800000000, -0.0000319900000000, 0.0011404400000000 ] - [ 0.0001436100000000, -0.0000462800000000, -0.0010213600000000 ] - [ -0.0001436100000000, -0.0000462800000000, -0.0010213600000000 ] - [ 0.0000000000000000, 0.0015413700000000, 0.0010335300000000 ] - [ 0.0000000000000000, 0.0012067400000000, 0.0010379400000000 ] - [ -0.0007477700000000, 0.0005145300000000, -0.0006826400000000 ] - [ 0.0002485100000000, -0.0003407600000000, -0.0001332100000000 ] - [ -0.0000637800000000, 0.0008922500000000, -0.0001260200000000 ] - [ 0.0000416300000000, 0.0008289700000000, -0.0000375500000000 ] - [ 0.0000637800000000, 0.0008922500000000, -0.0001260200000000 ] - [ -0.0000416300000000, 0.0008289700000000, -0.0000375500000000 ] - [ 0.0007477700000000, 0.0005145300000000, -0.0006826400000000 ] - [ -0.0002485100000000, -0.0003407600000000, -0.0001332100000000 ] - [ 0.0000000000000000, -0.0000342600000000, 0.0008681900000000 ] - [ 0.0000000000000000, -0.0005765600000000, 0.0009964400000000 ] - [ -0.0000037700000000, 0.0011891700000000, -0.0010254700000000 ] - [ 0.0000037700000000, 0.0011891700000000, -0.0010254700000000 ] - [ 0.0000000000000000, 0.0658620200000000, 0.0043949200000000 ] - [ 0.0000000000000000, 0.0000916900000000, 0.0004316900000000 ] - [ -0.0004958600000000, 0.0010507500000000, -0.0009415800000000 ] - [ 0.0004958600000000, 0.0010507500000000, -0.0009415800000000 ] - [ 0.0000000000000000, 0.0008770600000000, 0.0002098900000000 ] - [ 0.0000000000000000, 0.0007324600000000, 0.0002151500000000 ] - [ 0.0020116500000000, 0.0003143800000000, -0.0019798900000000 ] - [ -0.0020116500000000, 0.0003143800000000, -0.0019798900000000 ] - [ -0.0013890200000000, -0.0003143700000000, -0.0008631600000000 ] - [ 0.0013890200000000, -0.0003143700000000, -0.0008631600000000 ] - [ 0.0000000000000000, -0.0000467300000000, 0.0008666500000000 ] - [ 0.0000000000000000, 0.0000142200000000, 0.0001724700000000 ] - [ -0.0010806600000000, -0.0017339300000000, 0.0003497800000000 ] - [ 0.0010806600000000, -0.0017339300000000, 0.0003497800000000 ] - [ 0.0000000000000000, -0.0003967700000000, 0.0002833500000000 ] - [ 0.0000000000000000, 0.0001043800000000, -0.0001008000000000 ] - [ 0.0000943700000000, 0.0001226000000000, 0.0002176600000000 ] - [ -0.0000943700000000, 0.0001226000000000, 0.0002176600000000 ] - [ 0.0000000000000000, -0.0019698400000000, 0.0010314100000000 ] - [ 0.0000000000000000, -0.0008428600000000, -0.0000353800000000 ] - [ 0.0000000000000000, -0.0031757800000000, 0.0023458300000000 ] - [ 0.0000000000000000, -0.0000330800000000, 0.0001844600000000 ] - [ 0.0002547800000000, -0.0001420000000000, -0.0004522600000000 ] - [ -0.0002547800000000, -0.0001420000000000, -0.0004522600000000 ] - [ 0.0004167800000000, 0.0022683900000000, 0.0003668900000000 ] - [ -0.0004167800000000, 0.0022683900000000, 0.0003668900000000 ] - [ 0.0000000000000000, 0.0025591000000000, 0.0000575600000000 ] - [ 0.0000000000000000, 0.0007621200000000, -0.0001526700000000 ] - [ -0.0000091900000000, 0.0007210600000000, 0.0000852400000000 ] - [ 0.0000091900000000, 0.0007210600000000, 0.0000852400000000 ] - [ 0.0000000000000000, 0.0018463300000000, -0.0003670400000000 ] - [ 0.0000000000000000, 0.0000352600000000, -0.0001832600000000 ] - [ 0.0000000000000000, 0.0079331500000000, 0.0000487000000000 ] - [ 0.0000000000000000, 0.0006786400000000, -0.0001992800000000 ] - [ 0.0004568200000000, -0.0004842100000000, 0.0007355900000000 ] - [ -0.0004568200000000, -0.0004842100000000, 0.0007355900000000 ] - [ 0.0000000000000000, -0.0003649200000000, -0.0002072400000000 ] - [ 0.0000000000000000, -0.0004148100000000, -0.0002000400000000 ] - [ -0.0006107700000000, 0.0006236500000000, 0.0008306800000000 ] - [ 0.0006107700000000, 0.0006236500000000, 0.0008306800000000 ] - [ 0.0000000000000000, -0.0019125400000000, 0.0000327200000000 ] - [ 0.0000000000000000, -0.0008801700000000, 0.0001205100000000 ] - [ -0.0000311200000000, -0.0002002100000000, -0.0002289100000000 ] - [ 0.0000311200000000, -0.0002002100000000, -0.0002289100000000 ] - [ 0.0000000000000000, -0.0000168800000000, 0.0001611200000000 ] - [ 0.0000000000000000, 0.0001273000000000, 0.0001609300000000 ] - [ -0.0000463000000000, -0.0009269200000000, -0.0000517100000000 ] - [ 0.0000463000000000, -0.0009269200000000, -0.0000517100000000 ] - [ 0.0009191300000000, -0.0005389700000000, -0.0001023100000000 ] - [ -0.0009191300000000, -0.0005389700000000, -0.0001023100000000 ] - [ 0.0000000000000000, -0.0008771500000000, -0.0006274800000000 ] - [ 0.0000000000000000, -0.0005892600000000, 0.0000646600000000 ] - [ -0.0000841200000000, -0.0005737400000000, -0.0002089100000000 ] - [ 0.0000841200000000, -0.0005737400000000, -0.0002089100000000 ] - [ 0.0000000000000000, -0.0006179700000000, -0.0007546900000000 ] - [ 0.0000000000000000, 0.0002616800000000, 0.0000480100000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0013218400000000, 0.0004105800000000, -0.0008334200000000 ] - [ 0.0001090900000000, 0.0004475100000000, 0.0005020700000000 ] - [ -0.0039017000000000, -0.0044425400000000, 0.0038987300000000 ] - [ -0.0001331100000000, 0.0002346100000000, -0.0006279100000000 ] - [ 0.0002116100000000, 0.0000833600000000, -0.0000026700000000 ] - [ 0.0004587100000000, 0.0000212500000000, 0.0004663700000000 ] - [ 0.0002223900000000, 0.0004223800000000, -0.0004474800000000 ] - [ 0.0003269100000000, 0.0003187300000000, -0.0005351600000000 ] - [ 0.0039017000000000, -0.0044425400000000, 0.0038987300000000 ] - [ 0.0001331100000000, 0.0002346100000000, -0.0006279100000000 ] - [ 0.0013218400000000, 0.0004105800000000, -0.0008334200000000 ] - [ -0.0001090900000000, 0.0004475100000000, 0.0005020700000000 ] - [ -0.0002223900000000, 0.0004223800000000, -0.0004474800000000 ] - [ -0.0003269100000000, 0.0003187300000000, -0.0005351600000000 ] - [ -0.0002116100000000, 0.0000833600000000, -0.0000026700000000 ] - [ -0.0004587100000000, 0.0000212500000000, 0.0004663700000000 ] - [ -0.0013440900000000, -0.0007389100000000, -0.0006401100000000 ] - [ 0.0013440900000000, -0.0007389100000000, -0.0006401100000000 ] - [ 0.0000000000000000, 0.0002606400000000, 0.0014986300000000 ] - [ 0.0000000000000000, 0.0005124300000000, 0.0006530400000000 ] - [ 0.0000551400000000, 0.0004942300000000, -0.0005566900000000 ] - [ -0.0000551400000000, 0.0004942300000000, -0.0005566900000000 ] - [ 0.0000000000000000, -0.0008784100000000, 0.0023319200000000 ] - [ 0.0000000000000000, -0.0004682200000000, 0.0007278100000000 ] - [ 0.0000000000000000, 0.0926618300000000, 0.0048507900000000 ] - [ 0.0000000000000000, -0.0005034100000000, -0.0009332300000000 ] - [ -0.0000073200000000, 0.0015179400000000, 0.0009837400000000 ] - [ 0.0000073200000000, 0.0015179400000000, 0.0009837400000000 ] - [ 0.0057677500000000, -0.0042228300000000, -0.0049764100000000 ] - [ -0.0005406100000000, -0.0003329300000000, 0.0000517300000000 ] - [ -0.0000066700000000, 0.0008906700000000, -0.0002045100000000 ] - [ -0.0000648000000000, 0.0007895200000000, -0.0000896000000000 ] - [ 0.0000066700000000, 0.0008906700000000, -0.0002045100000000 ] - [ 0.0000648000000000, 0.0007895200000000, -0.0000896000000000 ] - [ -0.0057677500000000, -0.0042228300000000, -0.0049764100000000 ] - [ 0.0005406100000000, -0.0003329300000000, 0.0000517300000000 ] - [ 0.0001156800000000, 0.0001851700000000, 0.0009043300000000 ] - [ -0.0001156800000000, 0.0001851700000000, 0.0009043300000000 ] - [ 0.0000000000000000, 0.0012402400000000, -0.0010092600000000 ] - [ 0.0000000000000000, 0.0011444100000000, -0.0010486100000000 ] - [ -0.0004451700000000, -0.0007886000000000, 0.0011211200000000 ] - [ -0.0001582400000000, -0.0001205800000000, 0.0008052400000000 ] - [ -0.0012850300000000, -0.0013600200000000, -0.0013302100000000 ] - [ 0.0001629300000000, -0.0005050000000000, -0.0007845900000000 ] - [ 0.0001001300000000, -0.0004975400000000, 0.0009836200000000 ] - [ 0.0003210400000000, -0.0003329900000000, 0.0007322500000000 ] - [ 0.0001790000000000, -0.0001154200000000, -0.0008495000000000 ] - [ 0.0003343200000000, -0.0000520000000000, -0.0007324800000000 ] - [ 0.0012850300000000, -0.0013600200000000, -0.0013302100000000 ] - [ -0.0001629300000000, -0.0005050000000000, -0.0007845900000000 ] - [ 0.0004451700000000, -0.0007886000000000, 0.0011211200000000 ] - [ 0.0001582400000000, -0.0001205800000000, 0.0008052400000000 ] - [ -0.0001790000000000, -0.0001154200000000, -0.0008495000000000 ] - [ -0.0003343200000000, -0.0000520000000000, -0.0007324800000000 ] - [ -0.0001001300000000, -0.0004975400000000, 0.0009836200000000 ] - [ -0.0003210400000000, -0.0003329900000000, 0.0007322500000000 ] - [ 0.0000000000000000, -0.0033563800000000, -0.0005094800000000 ] - [ 0.0000000000000000, -0.0005633500000000, -0.0005408900000000 ] - [ -0.0002689400000000, 0.0003354900000000, 0.0002556600000000 ] - [ 0.0002689400000000, 0.0003354900000000, 0.0002556600000000 ] - [ 0.0000000000000000, 0.0004913200000000, -0.0006836400000000 ] - [ 0.0000000000000000, 0.0004866000000000, -0.0006224600000000 ] - [ 0.0004230900000000, -0.0009816900000000, 0.0000670200000000 ] - [ -0.0004230900000000, -0.0009816900000000, 0.0000670200000000 ] - [ -0.0001468400000000, -0.0018043700000000, -0.0010352100000000 ] - [ 0.0001468400000000, -0.0018043700000000, -0.0010352100000000 ] - [ 0.0000000000000000, 0.0003017200000000, 0.0010216400000000 ] - [ 0.0000000000000000, 0.0006373800000000, 0.0010186200000000 ] - [ 0.0007594800000000, -0.0017836300000000, 0.0006930500000000 ] - [ -0.0002514500000000, -0.0009180800000000, 0.0001346200000000 ] - [ 0.0000637500000000, 0.0003635800000000, 0.0001255600000000 ] - [ -0.0000410800000000, 0.0004273100000000, 0.0000376300000000 ] - [ -0.0000637500000000, 0.0003635800000000, 0.0001255600000000 ] - [ 0.0000410800000000, 0.0004273100000000, 0.0000376300000000 ] - [ -0.0007594800000000, -0.0017836300000000, 0.0006930500000000 ] - [ 0.0002514500000000, -0.0009180800000000, 0.0001346200000000 ] - [ 0.0000000000000000, -0.0018163400000000, 0.0011924000000000 ] - [ 0.0000000000000000, -0.0012712100000000, 0.0010614700000000 ] - [ 0.0000034100000000, 0.0006553100000000, -0.0010318400000000 ] - [ -0.0000034100000000, 0.0006553100000000, -0.0010318400000000 ] - [ 0.0000000000000000, -0.0622731300000000, -0.0035931500000000 ] - [ 0.0000000000000000, -0.0010366800000000, 0.0000271900000000 ] - [ 0.0004974800000000, -0.0001064400000000, 0.0004853100000000 ] - [ -0.0004974800000000, -0.0001064400000000, 0.0004853100000000 ] - [ 0.0000000000000000, 0.0000762200000000, 0.0002445500000000 ] - [ 0.0000000000000000, 0.0002260000000000, 0.0002383700000000 ] - [ -0.0020138200000000, -0.0012676700000000, 0.0015293900000000 ] - [ 0.0020138200000000, -0.0012676700000000, 0.0015293900000000 ] - [ 0.0014036900000000, 0.0003053200000000, 0.0008728300000000 ] - [ -0.0014036900000000, 0.0003053200000000, 0.0008728300000000 ] - [ 0.0000000000000000, 0.0000406000000000, -0.0008741200000000 ] - [ 0.0000000000000000, -0.0000175000000000, -0.0001732600000000 ] - [ 0.0010966000000000, 0.0007854100000000, 0.0001066600000000 ] - [ -0.0010966000000000, 0.0007854100000000, 0.0001066600000000 ] - [ 0.0000000000000000, 0.0013551600000000, -0.0007378900000000 ] - [ 0.0000000000000000, 0.0008514100000000, -0.0003561200000000 ] - [ -0.0000940800000000, 0.0008410800000000, 0.0002369700000000 ] - [ 0.0000940800000000, 0.0008410800000000, 0.0002369700000000 ] - [ 0.0000000000000000, 0.0010165000000000, -0.0015042700000000 ] - [ 0.0000000000000000, -0.0001208500000000, -0.0004202500000000 ] - [ 0.0000000000000000, 0.0031779100000000, -0.0023363700000000 ] - [ 0.0000000000000000, 0.0000387400000000, -0.0001857400000000 ] - [ -0.0002552300000000, 0.0001454300000000, 0.0004528300000000 ] - [ 0.0002552300000000, 0.0001454300000000, 0.0004528300000000 ] - [ -0.0004245600000000, -0.0030181300000000, -0.0000904500000000 ] - [ 0.0004245600000000, -0.0030181300000000, -0.0000904500000000 ] - [ 0.0000000000000000, -0.0018198900000000, -0.0003521600000000 ] - [ 0.0000000000000000, -0.0000180700000000, -0.0001289700000000 ] - [ 0.0000076100000000, 0.0000228400000000, 0.0001937000000000 ] - [ -0.0000076100000000, 0.0000228400000000, 0.0001937000000000 ] - [ 0.0000000000000000, -0.0025982700000000, 0.0001054800000000 ] - [ 0.0000000000000000, -0.0007830000000000, -0.0000923600000000 ] - [ 0.0000000000000000, -0.0074604700000000, -0.0004663900000000 ] - [ 0.0000000000000000, 0.0002814500000000, -0.0001975100000000 ] - [ -0.0004566000000000, -0.0004809300000000, -0.0003379900000000 ] - [ 0.0004566000000000, -0.0004809300000000, -0.0003379900000000 ] - [ 0.0000000000000000, -0.0005895300000000, -0.0001899700000000 ] - [ 0.0000000000000000, -0.0005414900000000, -0.0001973900000000 ] - [ 0.0006155200000000, 0.0003260100000000, -0.0004375700000000 ] - [ -0.0006155200000000, 0.0003260100000000, -0.0004375700000000 ] - [ 0.0000000000000000, 0.0011767400000000, 0.0002477500000000 ] - [ 0.0000000000000000, 0.0001356400000000, 0.0001583900000000 ] - [ 0.0000329600000000, 0.0009480200000000, -0.0000470500000000 ] - [ -0.0000329600000000, 0.0009480200000000, -0.0000470500000000 ] - [ 0.0000000000000000, 0.0007633000000000, 0.0001165800000000 ] - [ 0.0000000000000000, 0.0006183600000000, 0.0001170500000000 ] - [ 0.0000481300000000, 0.0001833100000000, -0.0002285400000000 ] - [ -0.0000481300000000, 0.0001833100000000, -0.0002285400000000 ] - [ -0.0009157900000000, 0.0015109000000000, -0.0002956600000000 ] - [ 0.0009157900000000, 0.0015109000000000, -0.0002956600000000 ] - [ 0.0000000000000000, -0.0000933900000000, 0.0010352800000000 ] - [ 0.0000000000000000, -0.0003818700000000, 0.0003341100000000 ] - [ 0.0000847000000000, -0.0003856600000000, -0.0001887600000000 ] - [ -0.0000847000000000, -0.0003856600000000, -0.0001887600000000 ] - [ 0.0000000000000000, 0.0015781000000000, 0.0011494800000000 ] - [ 0.0000000000000000, 0.0006987900000000, 0.0003497000000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0005276400000000, 0.0012330600000000, 0.0008852000000000 ] - [ -0.0005488500000000, 0.0002961000000000, 0.0006079800000000 ] - [ -0.0024234500000000, -0.0043681600000000, -0.0001225900000000 ] - [ -0.0001274000000000, -0.0003189100000000, -0.0008095200000000 ] - [ 0.0007700900000000, 0.0005413700000000, 0.0013079500000000 ] - [ -0.0000109100000000, -0.0000207000000000, 0.0008580000000000 ] - [ 0.0000497700000000, -0.0003015300000000, 0.0000382100000000 ] - [ 0.0003359400000000, 0.0000933400000000, -0.0004482600000000 ] - [ 0.0024234500000000, -0.0043681600000000, -0.0001225900000000 ] - [ 0.0001274000000000, -0.0003189100000000, -0.0008095200000000 ] - [ -0.0005276400000000, 0.0012330600000000, 0.0008852000000000 ] - [ 0.0005488500000000, 0.0002961000000000, 0.0006079800000000 ] - [ -0.0000497700000000, -0.0003015300000000, 0.0000382100000000 ] - [ -0.0003359400000000, 0.0000933400000000, -0.0004482600000000 ] - [ -0.0007700900000000, 0.0005413700000000, 0.0013079500000000 ] - [ 0.0000109100000000, -0.0000207000000000, 0.0008580000000000 ] - [ 0.0000109000000000, -0.0003735500000000, -0.0010374600000000 ] - [ -0.0000109000000000, -0.0003735500000000, -0.0010374600000000 ] - [ 0.0000000000000000, -0.0002094000000000, 0.0011718800000000 ] - [ 0.0000000000000000, 0.0004035800000000, 0.0006977600000000 ] - [ -0.0000396100000000, 0.0005480500000000, -0.0002134900000000 ] - [ 0.0000396100000000, 0.0005480500000000, -0.0002134900000000 ] - [ 0.0000000000000000, -0.0015274700000000, 0.0005632200000000 ] - [ 0.0000000000000000, -0.0005879200000000, 0.0005059300000000 ] - [ 0.0000000000000000, -0.0068901400000000, -0.0142412000000000 ] - [ 0.0000000000000000, -0.0010194800000000, -0.0013806200000000 ] - [ 0.0006706300000000, 0.0009691600000000, 0.0014399600000000 ] - [ -0.0006706300000000, 0.0009691600000000, 0.0014399600000000 ] - [ -0.0038029100000000, 0.0037322400000000, 0.0006648400000000 ] - [ 0.0004255700000000, -0.0006554600000000, -0.0004735700000000 ] - [ -0.0001517200000000, 0.0009219100000000, 0.0006872800000000 ] - [ 0.0001212100000000, 0.0006803500000000, 0.0002920800000000 ] - [ 0.0001517200000000, 0.0009219100000000, 0.0006872800000000 ] - [ -0.0001212100000000, 0.0006803500000000, 0.0002920800000000 ] - [ 0.0038029100000000, 0.0037322400000000, 0.0006648400000000 ] - [ -0.0004255700000000, -0.0006554600000000, -0.0004735700000000 ] - [ -0.0012643900000000, -0.0010431000000000, 0.0011949300000000 ] - [ 0.0012643900000000, -0.0010431000000000, 0.0011949300000000 ] - [ 0.0000000000000000, 0.0009419400000000, 0.0004409800000000 ] - [ 0.0000000000000000, 0.0009029500000000, -0.0007961000000000 ] - [ -0.0003754200000000, -0.0002893900000000, 0.0006259800000000 ] - [ -0.0002357100000000, 0.0000529600000000, 0.0005609500000000 ] - [ -0.0003145100000000, -0.0000393700000000, -0.0008417600000000 ] - [ -0.0002965800000000, -0.0000619800000000, -0.0007566400000000 ] - [ 0.0001849800000000, -0.0003483200000000, 0.0007831200000000 ] - [ 0.0003176900000000, -0.0002177300000000, 0.0007246400000000 ] - [ 0.0003187000000000, 0.0002797000000000, -0.0003823100000000 ] - [ 0.0002162200000000, 0.0002167000000000, -0.0004895800000000 ] - [ 0.0003145100000000, -0.0000393700000000, -0.0008417600000000 ] - [ 0.0002965800000000, -0.0000619800000000, -0.0007566400000000 ] - [ 0.0003754200000000, -0.0002893900000000, 0.0006259800000000 ] - [ 0.0002357100000000, 0.0000529600000000, 0.0005609500000000 ] - [ -0.0003187000000000, 0.0002797000000000, -0.0003823100000000 ] - [ -0.0002162200000000, 0.0002167000000000, -0.0004895800000000 ] - [ -0.0001849800000000, -0.0003483200000000, 0.0007831200000000 ] - [ -0.0003176900000000, -0.0002177300000000, 0.0007246400000000 ] - [ 0.0000000000000000, -0.0006168400000000, -0.0018710100000000 ] - [ 0.0000000000000000, -0.0005429000000000, -0.0008404600000000 ] - [ 0.0001590900000000, 0.0007704900000000, 0.0008141500000000 ] - [ -0.0001590900000000, 0.0007704900000000, 0.0008141500000000 ] - [ 0.0000000000000000, 0.0004197700000000, -0.0001898100000000 ] - [ 0.0000000000000000, 0.0004932400000000, -0.0004253700000000 ] - [ -0.0003298500000000, -0.0000673400000000, 0.0006592800000000 ] - [ 0.0003298500000000, -0.0000673400000000, 0.0006592800000000 ] - [ 0.0000036000000000, -0.0009159000000000, -0.0011462400000000 ] - [ -0.0000036000000000, -0.0009159000000000, -0.0011462400000000 ] - [ 0.0000000000000000, 0.0009288500000000, 0.0011072000000000 ] - [ 0.0000000000000000, 0.0009325300000000, 0.0010722800000000 ] - [ -0.0000042400000000, -0.0006446600000000, -0.0002934800000000 ] - [ -0.0000217500000000, -0.0006577500000000, -0.0001720200000000 ] - [ 0.0000601100000000, 0.0005439100000000, 0.0002673100000000 ] - [ -0.0000209300000000, 0.0005719900000000, 0.0001663900000000 ] - [ -0.0000601100000000, 0.0005439100000000, 0.0002673100000000 ] - [ 0.0000209300000000, 0.0005719900000000, 0.0001663900000000 ] - [ 0.0000042400000000, -0.0006446600000000, -0.0002934800000000 ] - [ 0.0000217500000000, -0.0006577500000000, -0.0001720200000000 ] - [ 0.0000000000000000, -0.0007604700000000, 0.0009525000000000 ] - [ 0.0000000000000000, -0.0008901000000000, 0.0009803600000000 ] - [ -0.0000057400000000, 0.0009198000000000, -0.0009023900000000 ] - [ 0.0000057400000000, 0.0009198000000000, -0.0009023900000000 ] - [ 0.0000000000000000, 0.0028389800000000, 0.0107854800000000 ] - [ 0.0000000000000000, -0.0001916100000000, 0.0009371500000000 ] - [ -0.0006882100000000, 0.0000505700000000, -0.0008952800000000 ] - [ 0.0006882100000000, 0.0000505700000000, -0.0008952800000000 ] - [ 0.0000000000000000, 0.0004147800000000, -0.0012998800000000 ] - [ 0.0000000000000000, 0.0004989400000000, -0.0002275800000000 ] - [ 0.0018696500000000, -0.0011026900000000, -0.0007829400000000 ] - [ -0.0018696500000000, -0.0011026900000000, -0.0007829400000000 ] - [ -0.0003988000000000, -0.0006499200000000, 0.0003423800000000 ] - [ 0.0003988000000000, -0.0006499200000000, 0.0003423800000000 ] - [ 0.0000000000000000, 0.0006885400000000, -0.0006041100000000 ] - [ 0.0000000000000000, 0.0001009400000000, -0.0001864000000000 ] - [ -0.0000070800000000, -0.0005344200000000, 0.0005611200000000 ] - [ 0.0000070800000000, -0.0005344200000000, 0.0005611200000000 ] - [ 0.0000000000000000, 0.0009220800000000, -0.0005713000000000 ] - [ 0.0000000000000000, 0.0005919200000000, -0.0003486700000000 ] - [ 0.0000096900000000, 0.0004681600000000, -0.0001679000000000 ] - [ -0.0000096900000000, 0.0004681600000000, -0.0001679000000000 ] - [ 0.0000000000000000, -0.0000900900000000, 0.0000617900000000 ] - [ 0.0000000000000000, -0.0004072300000000, -0.0000912600000000 ] - [ 0.0000000000000000, 0.0022379200000000, 0.0000978600000000 ] - [ 0.0000000000000000, 0.0002144500000000, 0.0001757400000000 ] - [ 0.0003372200000000, -0.0004065600000000, -0.0005269000000000 ] - [ -0.0003372200000000, -0.0004065600000000, -0.0005269000000000 ] - [ -0.0001800600000000, -0.0002854500000000, 0.0020201500000000 ] - [ 0.0001800600000000, -0.0002854500000000, 0.0020201500000000 ] - [ 0.0000000000000000, -0.0000541900000000, -0.0029703000000000 ] - [ 0.0000000000000000, 0.0003667300000000, -0.0002522300000000 ] - [ 0.0001932100000000, 0.0004289800000000, -0.0005358700000000 ] - [ -0.0001932100000000, 0.0004289800000000, -0.0005358700000000 ] - [ 0.0000000000000000, -0.0000343700000000, -0.0025277300000000 ] - [ 0.0000000000000000, -0.0003314400000000, -0.0001054600000000 ] - [ 0.0000000000000000, 0.0006599700000000, 0.0013130400000000 ] - [ 0.0000000000000000, 0.0003238200000000, 0.0000705700000000 ] - [ -0.0004126000000000, -0.0000988000000000, -0.0001917500000000 ] - [ 0.0004126000000000, -0.0000988000000000, -0.0001917500000000 ] - [ 0.0000000000000000, -0.0005810300000000, -0.0009636600000000 ] - [ 0.0000000000000000, -0.0005176800000000, -0.0004780800000000 ] - [ 0.0004454300000000, 0.0010227400000000, 0.0002522000000000 ] - [ -0.0004454300000000, 0.0010227400000000, 0.0002522000000000 ] - [ 0.0000000000000000, -0.0003474400000000, 0.0003497200000000 ] - [ 0.0000000000000000, -0.0003736600000000, 0.0002604500000000 ] - [ -0.0000551600000000, 0.0003899600000000, -0.0001639100000000 ] - [ 0.0000551600000000, 0.0003899600000000, -0.0001639100000000 ] - [ 0.0000000000000000, 0.0003747200000000, -0.0000640500000000 ] - [ 0.0000000000000000, 0.0003763000000000, 0.0000135900000000 ] - [ 0.0000612200000000, -0.0004255300000000, -0.0001185200000000 ] - [ -0.0000612200000000, -0.0004255300000000, -0.0001185200000000 ] - [ -0.0000223700000000, 0.0004745200000000, 0.0004255700000000 ] - [ 0.0000223700000000, 0.0004745200000000, 0.0004255700000000 ] - [ 0.0000000000000000, -0.0009059500000000, 0.0000250000000000 ] - [ 0.0000000000000000, -0.0005793700000000, 0.0001161700000000 ] - [ 0.0000265100000000, -0.0004700500000000, -0.0004851800000000 ] - [ -0.0000265100000000, -0.0004700500000000, -0.0004851800000000 ] - [ 0.0000000000000000, -0.0003579300000000, 0.0000323900000000 ] - [ 0.0000000000000000, 0.0003661800000000, 0.0002599700000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0010699900000000, -0.0009470300000000, 0.0004096700000000 ] - [ 0.0000134600000000, -0.0000016200000000, 0.0006861000000000 ] - [ 0.0018946800000000, 0.0040896300000000, -0.0011482900000000 ] - [ -0.0004077500000000, 0.0000231500000000, -0.0004799600000000 ] - [ -0.0002290400000000, -0.0008274200000000, -0.0000195600000000 ] - [ 0.0005459000000000, -0.0002706600000000, 0.0004309300000000 ] - [ 0.0004837300000000, 0.0005881700000000, -0.0013281400000000 ] - [ 0.0002011600000000, 0.0001984400000000, -0.0008439300000000 ] - [ -0.0018946800000000, 0.0040896300000000, -0.0011482900000000 ] - [ 0.0004077500000000, 0.0000231500000000, -0.0004799600000000 ] - [ 0.0010699900000000, -0.0009470300000000, 0.0004096700000000 ] - [ -0.0000134600000000, -0.0000016200000000, 0.0006861000000000 ] - [ -0.0004837300000000, 0.0005881700000000, -0.0013281400000000 ] - [ -0.0002011600000000, 0.0001984400000000, -0.0008439300000000 ] - [ 0.0002290400000000, -0.0008274200000000, -0.0000195600000000 ] - [ -0.0005459000000000, -0.0002706600000000, 0.0004309300000000 ] - [ -0.0000085500000000, -0.0006329300000000, -0.0001715700000000 ] - [ 0.0000085500000000, -0.0006329300000000, -0.0001715700000000 ] - [ 0.0000000000000000, 0.0012227900000000, 0.0000394700000000 ] - [ 0.0000000000000000, 0.0006054900000000, 0.0005114400000000 ] - [ 0.0000385800000000, 0.0004638000000000, -0.0009933500000000 ] - [ -0.0000385800000000, 0.0004638000000000, -0.0009933500000000 ] - [ 0.0000000000000000, 0.0005102500000000, 0.0006381900000000 ] - [ 0.0000000000000000, -0.0004227100000000, 0.0006987300000000 ] - [ 0.0000000000000000, 0.0051984700000000, 0.0122957900000000 ] - [ 0.0000000000000000, -0.0008260900000000, -0.0006796700000000 ] - [ -0.0006768500000000, 0.0008764800000000, 0.0006188800000000 ] - [ 0.0006768500000000, 0.0008764800000000, 0.0006188800000000 ] - [ 0.0037944800000000, -0.0049712900000000, -0.0006925100000000 ] - [ -0.0004258900000000, -0.0006028400000000, 0.0004696000000000 ] - [ 0.0001555900000000, 0.0003321200000000, -0.0006875200000000 ] - [ -0.0001224200000000, 0.0005768300000000, -0.0002915700000000 ] - [ -0.0001555900000000, 0.0003321200000000, -0.0006875200000000 ] - [ 0.0001224200000000, 0.0005768300000000, -0.0002915700000000 ] - [ -0.0037944800000000, -0.0049712900000000, -0.0006925100000000 ] - [ 0.0004258900000000, -0.0006028400000000, 0.0004696000000000 ] - [ 0.0012576100000000, -0.0008002300000000, 0.0008564400000000 ] - [ -0.0012576100000000, -0.0008002300000000, 0.0008564400000000 ] - [ 0.0000000000000000, 0.0009032700000000, -0.0024976100000000 ] - [ 0.0000000000000000, 0.0009428800000000, -0.0012612500000000 ] - [ -0.0001609200000000, 0.0005817400000000, 0.0006675300000000 ] - [ -0.0003007700000000, 0.0002395300000000, 0.0007310800000000 ] - [ -0.0002193200000000, -0.0002520700000000, -0.0004468000000000 ] - [ -0.0002405200000000, -0.0002303700000000, -0.0005339900000000 ] - [ 0.0003508400000000, 0.0000539700000000, 0.0005061700000000 ] - [ 0.0002189800000000, -0.0000753800000000, 0.0005650800000000 ] - [ 0.0002177200000000, 0.0000140300000000, -0.0009105600000000 ] - [ 0.0003196600000000, 0.0000762800000000, -0.0008029600000000 ] - [ 0.0002193200000000, -0.0002520700000000, -0.0004468000000000 ] - [ 0.0002405200000000, -0.0002303700000000, -0.0005339900000000 ] - [ 0.0001609200000000, 0.0005817400000000, 0.0006675300000000 ] - [ 0.0003007700000000, 0.0002395300000000, 0.0007310800000000 ] - [ -0.0002177200000000, 0.0000140300000000, -0.0009105600000000 ] - [ -0.0003196600000000, 0.0000762800000000, -0.0008029600000000 ] - [ -0.0003508400000000, 0.0000539700000000, 0.0005061700000000 ] - [ -0.0002189800000000, -0.0000753800000000, 0.0005650800000000 ] - [ 0.0000000000000000, -0.0004032400000000, 0.0006638900000000 ] - [ 0.0000000000000000, -0.0004670800000000, -0.0003685300000000 ] - [ -0.0001601900000000, 0.0002373600000000, 0.0003946500000000 ] - [ 0.0001601900000000, 0.0002373600000000, 0.0003946500000000 ] - [ 0.0000000000000000, 0.0005878000000000, -0.0010166400000000 ] - [ 0.0000000000000000, 0.0005166100000000, -0.0007815300000000 ] - [ 0.0003298600000000, -0.0009427200000000, 0.0005438700000000 ] - [ -0.0003298600000000, -0.0009427200000000, 0.0005438700000000 ] - [ -0.0000031000000000, -0.0009299100000000, -0.0009115500000000 ] - [ 0.0000031000000000, -0.0009299100000000, -0.0009115500000000 ] - [ 0.0000000000000000, 0.0009166800000000, 0.0009504500000000 ] - [ 0.0000000000000000, 0.0009128600000000, 0.0009848900000000 ] - [ 0.0000032500000000, -0.0006121000000000, 0.0002894200000000 ] - [ 0.0000223500000000, -0.0006001900000000, 0.0001699000000000 ] - [ -0.0000602500000000, 0.0007148300000000, -0.0002667000000000 ] - [ 0.0000215700000000, 0.0006862400000000, -0.0001659500000000 ] - [ 0.0000602500000000, 0.0007148300000000, -0.0002667000000000 ] - [ -0.0000215700000000, 0.0006862400000000, -0.0001659500000000 ] - [ -0.0000032500000000, -0.0006121000000000, 0.0002894200000000 ] - [ -0.0000223500000000, -0.0006001900000000, 0.0001699000000000 ] - [ 0.0000000000000000, -0.0010850800000000, 0.0011027600000000 ] - [ 0.0000000000000000, -0.0009556200000000, 0.0010755800000000 ] - [ 0.0000055300000000, 0.0009256600000000, -0.0011554400000000 ] - [ -0.0000055300000000, 0.0009256600000000, -0.0011554400000000 ] - [ 0.0000000000000000, -0.0040338700000000, -0.0103839100000000 ] - [ 0.0000000000000000, -0.0007587100000000, -0.0004787500000000 ] - [ 0.0006946600000000, 0.0009057200000000, 0.0004337100000000 ] - [ -0.0006946600000000, 0.0009057200000000, 0.0004337100000000 ] - [ 0.0000000000000000, 0.0005558400000000, 0.0017519700000000 ] - [ 0.0000000000000000, 0.0004643200000000, 0.0006799500000000 ] - [ -0.0018691800000000, 0.0001361900000000, 0.0003393600000000 ] - [ 0.0018691800000000, 0.0001361900000000, 0.0003393600000000 ] - [ 0.0003993900000000, 0.0006508900000000, -0.0003486600000000 ] - [ -0.0003993900000000, 0.0006508900000000, -0.0003486600000000 ] - [ 0.0000000000000000, -0.0006808400000000, 0.0006044900000000 ] - [ 0.0000000000000000, -0.0000998300000000, 0.0001871400000000 ] - [ 0.0000050100000000, -0.0004204500000000, -0.0001032000000000 ] - [ -0.0000050100000000, -0.0004204500000000, -0.0001032000000000 ] - [ 0.0000000000000000, 0.0000306300000000, 0.0001104600000000 ] - [ 0.0000000000000000, 0.0003618000000000, -0.0001107200000000 ] - [ -0.0000090000000000, 0.0004930300000000, 0.0006207900000000 ] - [ 0.0000090000000000, 0.0004930300000000, 0.0006207900000000 ] - [ 0.0000000000000000, -0.0008698000000000, -0.0005107300000000 ] - [ 0.0000000000000000, -0.0005545400000000, -0.0003608500000000 ] - [ 0.0000000000000000, -0.0022337300000000, -0.0001106000000000 ] - [ 0.0000000000000000, -0.0002123100000000, -0.0001790900000000 ] - [ -0.0003352600000000, 0.0004037400000000, 0.0005282000000000 ] - [ 0.0003352600000000, 0.0004037400000000, 0.0005282000000000 ] - [ 0.0001721300000000, -0.0004642400000000, -0.0017435600000000 ] - [ -0.0001721300000000, -0.0004642400000000, -0.0017435600000000 ] - [ 0.0000000000000000, 0.0008022000000000, 0.0026639400000000 ] - [ 0.0000000000000000, 0.0003787400000000, -0.0000306900000000 ] - [ -0.0001883600000000, 0.0003161600000000, 0.0008127800000000 ] - [ 0.0001883600000000, 0.0003161600000000, 0.0008127800000000 ] - [ 0.0000000000000000, -0.0007131000000000, 0.0023077700000000 ] - [ 0.0000000000000000, -0.0004147000000000, -0.0001707900000000 ] - [ 0.0000000000000000, 0.0003379700000000, -0.0017085500000000 ] - [ 0.0000000000000000, 0.0006424700000000, -0.0004680200000000 ] - [ 0.0004141000000000, -0.0008712200000000, 0.0005856700000000 ] - [ -0.0004141000000000, -0.0008712200000000, 0.0005856700000000 ] - [ 0.0000000000000000, -0.0003816600000000, 0.0005651300000000 ] - [ 0.0000000000000000, -0.0004404800000000, 0.0000796300000000 ] - [ -0.0004427500000000, -0.0000625600000000, 0.0001479500000000 ] - [ 0.0004427500000000, -0.0000625600000000, 0.0001479500000000 ] - [ 0.0000000000000000, -0.0003987400000000, -0.0000720000000000 ] - [ 0.0000000000000000, -0.0003720700000000, 0.0000174100000000 ] - [ 0.0000550700000000, 0.0003562700000000, -0.0001164700000000 ] - [ -0.0000550700000000, 0.0003562700000000, -0.0001164700000000 ] - [ 0.0000000000000000, 0.0003715500000000, 0.0003417200000000 ] - [ 0.0000000000000000, 0.0003697900000000, 0.0002640200000000 ] - [ -0.0000612400000000, -0.0003198000000000, -0.0001591700000000 ] - [ 0.0000612400000000, -0.0003198000000000, -0.0001591700000000 ] - [ 0.0000202000000000, 0.0004969000000000, -0.0008235100000000 ] - [ -0.0000202000000000, 0.0004969000000000, -0.0008235100000000 ] - [ 0.0000000000000000, -0.0000590300000000, 0.0003688800000000 ] - [ 0.0000000000000000, -0.0003887700000000, 0.0002791900000000 ] - [ -0.0000253000000000, -0.0004853500000000, 0.0000870000000000 ] - [ 0.0000253000000000, -0.0004853500000000, 0.0000870000000000 ] - [ 0.0000000000000000, 0.0013146500000000, 0.0003688700000000 ] - [ 0.0000000000000000, 0.0005913600000000, 0.0001384600000000 ]- atom: 29 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0007037400000000, 0.0002838100000000, 0.0007714200000000 ] - [ -0.0000129600000000, 0.0000717900000000, 0.0005812900000000 ] - [ 0.0005505900000000, 0.0001024200000000, -0.0024029600000000 ] - [ 0.0002616100000000, -0.0002896100000000, 0.0002769800000000 ] - [ 0.0007953000000000, -0.0000023500000000, 0.0015733600000000 ] - [ 0.0010913800000000, -0.0003926500000000, -0.0011025300000000 ] - [ -0.0001669700000000, 0.0000091300000000, -0.0005193900000000 ] - [ 0.0005239800000000, 0.0002202400000000, -0.0007090200000000 ] - [ -0.0022651000000000, 0.0000564100000000, -0.0026469100000000 ] - [ 0.0010406900000000, -0.0000966400000000, -0.0005455700000000 ] - [ 0.0003785200000000, -0.0000412800000000, 0.0004649400000000 ] - [ 0.0003484900000000, 0.0004573100000000, 0.0009416500000000 ] - [ -0.0001893500000000, -0.0001642400000000, -0.0003495200000000 ] - [ -0.0001574100000000, 0.0003336900000000, -0.0008254600000000 ] - [ -0.0027876100000000, -0.0003579500000000, -0.0014087600000000 ] - [ 0.0005037800000000, -0.0001957100000000, 0.0007482000000000 ] - [ -0.0002078700000000, -0.0001560800000000, -0.0005448200000000 ] - [ 0.0002018600000000, -0.0006736300000000, -0.0006191800000000 ] - [ -0.0001761200000000, 0.0006292800000000, 0.0002446700000000 ] - [ 0.0001983700000000, 0.0004837300000000, 0.0006901600000000 ] - [ -0.0001742900000000, 0.0003788400000000, -0.0009642000000000 ] - [ 0.0001968800000000, 0.0005260000000000, -0.0005166400000000 ] - [ -0.0002079400000000, -0.0008526700000000, 0.0006623700000000 ] - [ 0.0002028700000000, -0.0003367400000000, 0.0005883200000000 ] - [ 0.0013376400000000, -0.0067173800000000, -0.0048357900000000 ] - [ 0.0009971000000000, -0.0003852600000000, -0.0006044600000000 ] - [ -0.0002052500000000, 0.0009165700000000, 0.0011822300000000 ] - [ 0.0001966900000000, 0.0008578700000000, 0.0009061800000000 ] - [ -0.0736315200000000, -0.0005379600000000, 0.0465721500000000 ] - [ 0.0018311700000000, -0.0006290300000000, -0.0001079900000000 ] - [ 0.0000218000000000, 0.0005605100000000, -0.0000186100000000 ] - [ 0.0000227000000000, 0.0006979500000000, -0.0000185600000000 ] - [ -0.0002287000000000, 0.0006293900000000, -0.0000038900000000 ] - [ 0.0001851800000000, 0.0006290600000000, -0.0000389300000000 ] - [ 0.0082324500000000, -0.0005761300000000, 0.0008885900000000 ] - [ 0.0081137900000000, -0.0006821800000000, 0.0008883400000000 ] - [ 0.0013600100000000, 0.0048506800000000, -0.0027610800000000 ] - [ 0.0009976500000000, -0.0014662300000000, 0.0014563600000000 ] - [ -0.0002066900000000, 0.0009297400000000, -0.0008750700000000 ] - [ 0.0001967700000000, 0.0009875900000000, -0.0011498900000000 ] - [ -0.0002013500000000, 0.0005022200000000, 0.0001196500000000 ] - [ 0.0000388400000000, -0.0000128900000000, 0.0011180700000000 ] - [ -0.0005645200000000, -0.0001390300000000, -0.0006458700000000 ] - [ -0.0000595400000000, -0.0001673700000000, -0.0006476200000000 ] - [ -0.0000274600000000, -0.0001532300000000, 0.0006450400000000 ] - [ 0.0004777000000000, -0.0001250500000000, 0.0006435900000000 ] - [ 0.0005737100000000, 0.0003056500000000, -0.0001733800000000 ] - [ 0.0003372800000000, -0.0002095700000000, -0.0011706100000000 ] - [ 0.0003704100000000, -0.0001676600000000, -0.0007272300000000 ] - [ 0.0002508200000000, -0.0001356000000000, -0.0005677100000000 ] - [ -0.0004249300000000, 0.0003729600000000, 0.0005782300000000 ] - [ 0.0006611000000000, 0.0001389600000000, 0.0005990100000000 ] - [ -0.0009613000000000, -0.0000830900000000, -0.0007134500000000 ] - [ 0.0001233900000000, 0.0001541800000000, -0.0006907000000000 ] - [ -0.0002866600000000, -0.0001569700000000, 0.0007235800000000 ] - [ -0.0001656700000000, -0.0001249100000000, 0.0005640600000000 ] - [ 0.0011225100000000, 0.0044967700000000, -0.0044392500000000 ] - [ 0.0008994700000000, -0.0009273500000000, -0.0001904700000000 ] - [ -0.0000908600000000, 0.0005579500000000, 0.0006431800000000 ] - [ 0.0000867500000000, 0.0004616900000000, 0.0005560200000000 ] - [ -0.0000916600000000, 0.0004519300000000, -0.0005641600000000 ] - [ 0.0000865700000000, 0.0005477900000000, -0.0006509700000000 ] - [ 0.0011369400000000, -0.0054818400000000, -0.0032122300000000 ] - [ 0.0008996300000000, -0.0000774000000000, 0.0010206900000000 ] - [ -0.0002223100000000, -0.0016765000000000, -0.0010317300000000 ] - [ 0.0001940200000000, -0.0006723000000000, -0.0010502700000000 ] - [ -0.0001023100000000, 0.0009868300000000, 0.0009682300000000 ] - [ 0.0001044900000000, 0.0008817100000000, 0.0010496100000000 ] - [ 0.0000682300000000, -0.0006288900000000, 0.0000197400000000 ] - [ 0.0000691000000000, -0.0006292600000000, 0.0000196400000000 ] - [ -0.0002220100000000, 0.0006288200000000, -0.0000883500000000 ] - [ 0.0001966600000000, 0.0006292500000000, -0.0000139700000000 ] - [ 0.0000105900000000, 0.0006793200000000, -0.0000478000000000 ] - [ 0.0000116700000000, 0.0005786500000000, -0.0000477200000000 ] - [ -0.0003977500000000, -0.0006286800000000, 0.0000180300000000 ] - [ 0.0002561600000000, -0.0006291000000000, 0.0000211800000000 ] - [ -0.0002222000000000, -0.0001694000000000, 0.0010246700000000 ] - [ 0.0001950500000000, -0.0011721600000000, 0.0010066100000000 ] - [ -0.0001022700000000, 0.0008591800000000, -0.0010886500000000 ] - [ 0.0001035100000000, 0.0009644900000000, -0.0010072000000000 ] - [ 0.0265834000000000, -0.0022007200000000, -0.0138550300000000 ] - [ -0.0031502300000000, -0.0005521400000000, -0.0014819900000000 ] - [ 0.0002774900000000, 0.0003497800000000, -0.0004112500000000 ] - [ -0.0002619500000000, 0.0005889500000000, -0.0000824900000000 ] - [ 0.0002750600000000, 0.0006067900000000, 0.0000439700000000 ] - [ -0.0002658700000000, 0.0003694100000000, 0.0003719500000000 ] - [ 0.0252528700000000, 0.0011409200000000, -0.0130087100000000 ] - [ -0.0031588000000000, -0.0004039400000000, -0.0019554600000000 ] - [ 0.0002963900000000, -0.0002924200000000, -0.0001398100000000 ] - [ -0.0002810100000000, 0.0001594600000000, 0.0000960800000000 ] - [ 0.0002969100000000, 0.0002918900000000, -0.0001397100000000 ] - [ -0.0002817700000000, -0.0001589300000000, 0.0000955900000000 ] - [ 0.0003009600000000, -0.0003714800000000, 0.0001480900000000 ] - [ -0.0003046000000000, -0.0004941200000000, 0.0002434900000000 ] - [ 0.0003205300000000, 0.0002851900000000, 0.0000450600000000 ] - [ -0.0003323400000000, 0.0005602400000000, -0.0003354100000000 ] - [ 0.0003159600000000, 0.0006741500000000, 0.0005004900000000 ] - [ -0.0003341200000000, 0.0003963200000000, 0.0001197000000000 ] - [ 0.0003045800000000, -0.0005866300000000, -0.0003070300000000 ] - [ -0.0003023300000000, -0.0004643700000000, -0.0002117100000000 ] - [ 0.0007228600000000, -0.0007168100000000, 0.0023001700000000 ] - [ -0.0009120700000000, 0.0001875100000000, -0.0005212000000000 ] - [ 0.0007088700000000, 0.0007242200000000, 0.0023012800000000 ] - [ -0.0009101000000000, -0.0001890700000000, -0.0005249000000000 ] - [ 0.0017187400000000, -0.0011104100000000, -0.0010533800000000 ] - [ -0.0012601400000000, 0.0001308700000000, 0.0005689200000000 ] - [ 0.0003093000000000, 0.0006328500000000, 0.0003605700000000 ] - [ -0.0003375000000000, 0.0003062300000000, -0.0002879100000000 ] - [ 0.0003069300000000, 0.0001115500000000, 0.0006404900000000 ] - [ -0.0003364400000000, 0.0004406000000000, -0.0000098700000000 ] - [ 0.0017438700000000, 0.0003446900000000, -0.0013173100000000 ] - [ -0.0012594700000000, -0.0008720500000000, 0.0002855800000000 ] - [ 0.0003302300000000, 0.0011617000000000, -0.0001097900000000 ] - [ -0.0003364400000000, 0.0002714000000000, -0.0002632500000000 ] - [ 0.0003743400000000, -0.0004814200000000, 0.0000944400000000 ] - [ -0.0003456100000000, -0.0005489600000000, 0.0004537400000000 ] - [ 0.0003772900000000, -0.0004807900000000, -0.0003005000000000 ] - [ -0.0003465500000000, -0.0004144700000000, 0.0000557700000000 ] - [ 0.0003292000000000, -0.0001996300000000, 0.0002872200000000 ] - [ -0.0003355400000000, 0.0006928300000000, 0.0001331000000000 ] - [ 0.0003318400000000, -0.0007730000000000, 0.0002433300000000 ] - [ -0.0003454300000000, -0.0002048500000000, 0.0000741600000000 ] - [ 0.0001617100000000, 0.0004542900000000, -0.0002367200000000 ] - [ -0.0001572400000000, 0.0002980200000000, -0.0000724900000000 ] - [ 0.0001620400000000, 0.0002926000000000, 0.0000420300000000 ] - [ -0.0001577100000000, 0.0004481600000000, 0.0002060900000000 ] - [ 0.0003311800000000, 0.0000268900000000, -0.0000357200000000 ] - [ -0.0003448900000000, -0.0005419100000000, -0.0002054600000000 ] - [ 0.0018767800000000, 0.0012095100000000, -0.0012016500000000 ] - [ -0.0012233200000000, -0.0001237700000000, 0.0001246200000000 ] - [ 0.0001201600000000, -0.0004625400000000, 0.0002521500000000 ] - [ -0.0001233800000000, -0.0005093500000000, 0.0001784200000000 ] - [ 0.0001199300000000, -0.0005007800000000, -0.0001444800000000 ] - [ -0.0001230300000000, -0.0004538400000000, -0.0002183700000000 ] - [ 0.0019033800000000, -0.0002186500000000, -0.0007901200000000 ] - [ -0.0012224900000000, 0.0010816600000000, 0.0005177200000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003231000000000, 0.0005179300000000, 0.0010403000000000 ] - [ -0.0002868400000000, 0.0002405500000000, 0.0007340900000000 ] - [ -0.0000767600000000, -0.0012794300000000, -0.0007009600000000 ] - [ -0.0002902900000000, -0.0011646900000000, -0.0006863200000000 ] - [ 0.0002902900000000, -0.0011646900000000, 0.0006863200000000 ] - [ 0.0000767600000000, -0.0012794300000000, 0.0007009600000000 ] - [ 0.0003231000000000, 0.0005179300000000, -0.0010403000000000 ] - [ 0.0002868400000000, 0.0002405500000000, -0.0007340900000000 ] - [ 0.0002396100000000, -0.0025677400000000, -0.0013200900000000 ] - [ 0.0002197800000000, -0.0005824500000000, -0.0006591000000000 ] - [ 0.0001221500000000, 0.0002981300000000, 0.0008418700000000 ] - [ 0.0004937700000000, 0.0005806400000000, 0.0010370900000000 ] - [ -0.0004937700000000, 0.0005806400000000, -0.0010370900000000 ] - [ -0.0001221500000000, 0.0002981300000000, -0.0008418700000000 ] - [ -0.0002396100000000, -0.0025677400000000, 0.0013200900000000 ] - [ -0.0002197800000000, -0.0005824500000000, 0.0006591000000000 ] - [ 0.0001008800000000, 0.0002162500000000, -0.0004922500000000 ] - [ -0.0001034600000000, -0.0002344800000000, -0.0005491000000000 ] - [ 0.0000560800000000, 0.0001900000000000, 0.0004542900000000 ] - [ -0.0000609800000000, 0.0002659900000000, 0.0005345700000000 ] - [ -0.0000560800000000, 0.0001900000000000, -0.0004542900000000 ] - [ 0.0000609800000000, 0.0002659900000000, -0.0005345700000000 ] - [ -0.0001008800000000, 0.0002162500000000, 0.0004922500000000 ] - [ 0.0001034600000000, -0.0002344800000000, 0.0005491000000000 ] - [ -0.0046565900000000, 0.0026629800000000, 0.0032998000000000 ] - [ 0.0004186100000000, -0.0012205400000000, -0.0010538000000000 ] - [ 0.0000334400000000, 0.0006631300000000, 0.0013226800000000 ] - [ -0.0000466900000000, 0.0007628900000000, 0.0010799700000000 ] - [ 0.0000000000000000, -0.0273634500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0010960500000000, 0.0000000000000000 ] - [ -0.0000687900000000, 0.0006991000000000, -0.0000390100000000 ] - [ 0.0000687900000000, 0.0006991000000000, 0.0000390100000000 ] - [ 0.0000000000000000, 0.0007244600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006775000000000, 0.0000000000000000 ] - [ -0.0000689100000000, -0.0024899200000000, -0.0000450700000000 ] - [ 0.0000689100000000, -0.0024899200000000, 0.0000450700000000 ] - [ 0.0046565900000000, 0.0026629800000000, -0.0032998000000000 ] - [ -0.0004186100000000, -0.0012205400000000, 0.0010538000000000 ] - [ -0.0000334400000000, 0.0006631300000000, -0.0013226800000000 ] - [ 0.0000466900000000, 0.0007628900000000, -0.0010799700000000 ] - [ 0.0000012400000000, 0.0002139500000000, 0.0002026400000000 ] - [ -0.0007343100000000, 0.0001714900000000, -0.0000096800000000 ] - [ -0.0002747400000000, 0.0004161300000000, -0.0006426100000000 ] - [ -0.0002947500000000, 0.0001479500000000, -0.0006487600000000 ] - [ 0.0002747400000000, 0.0004161300000000, 0.0006426100000000 ] - [ 0.0002947500000000, 0.0001479500000000, 0.0006487600000000 ] - [ 0.0007343100000000, 0.0001714900000000, 0.0000096800000000 ] - [ -0.0000012400000000, 0.0002139500000000, -0.0002026400000000 ] - [ 0.0002575100000000, 0.0002710900000000, -0.0006379400000000 ] - [ 0.0003086300000000, 0.0002980700000000, -0.0006548000000000 ] - [ 0.0004246100000000, 0.0002479200000000, -0.0000904000000000 ] - [ 0.0001847600000000, 0.0001191400000000, 0.0005173500000000 ] - [ -0.0004246100000000, 0.0002479200000000, 0.0000904000000000 ] - [ -0.0001847600000000, 0.0001191400000000, -0.0005173500000000 ] - [ -0.0003086300000000, 0.0002980700000000, 0.0006548000000000 ] - [ -0.0002575100000000, 0.0002710900000000, 0.0006379400000000 ] - [ 0.0037228700000000, 0.0022076500000000, -0.0048395300000000 ] - [ -0.0004413000000000, -0.0009181200000000, -0.0006809200000000 ] - [ 0.0000169500000000, 0.0008141400000000, 0.0006912100000000 ] - [ -0.0000258300000000, 0.0006864300000000, 0.0006314200000000 ] - [ -0.0000169500000000, 0.0008141400000000, -0.0006912100000000 ] - [ 0.0000258300000000, 0.0006864300000000, -0.0006314200000000 ] - [ -0.0037228700000000, 0.0022076500000000, 0.0048395300000000 ] - [ 0.0004413000000000, -0.0009181200000000, 0.0006809200000000 ] - [ -0.0000454300000000, 0.0002268900000000, -0.0010446200000000 ] - [ 0.0000870100000000, -0.0006352200000000, -0.0010573600000000 ] - [ 0.0000459300000000, 0.0011863700000000, 0.0009426800000000 ] - [ -0.0000514300000000, 0.0011230300000000, 0.0009709300000000 ] - [ 0.0000001000000000, -0.0001675300000000, -0.0000326000000000 ] - [ -0.0000001000000000, -0.0001675300000000, 0.0000326000000000 ] - [ 0.0000000000000000, 0.0006103800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006088700000000, 0.0000000000000000 ] - [ 0.0000501900000000, 0.0006112300000000, 0.0000129700000000 ] - [ -0.0000501900000000, 0.0006112300000000, -0.0000129700000000 ] - [ 0.0000000000000000, 0.0000163100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0003254500000000, 0.0000000000000000 ] - [ 0.0000454300000000, 0.0002268900000000, 0.0010446200000000 ] - [ -0.0000870100000000, -0.0006352200000000, 0.0010573600000000 ] - [ -0.0000459300000000, 0.0011863700000000, -0.0009426800000000 ] - [ 0.0000514300000000, 0.0011230300000000, -0.0009709300000000 ] - [ -0.0010390400000000, 0.0090713000000000, 0.0010624400000000 ] - [ -0.0000691900000000, 0.0006620300000000, 0.0001951100000000 ] - [ -0.0000673900000000, 0.0002780200000000, -0.0006248500000000 ] - [ 0.0001010900000000, 0.0004045400000000, -0.0003359400000000 ] - [ 0.0000673900000000, 0.0002780200000000, 0.0006248500000000 ] - [ -0.0001010900000000, 0.0004045400000000, 0.0003359400000000 ] - [ 0.0010390400000000, 0.0090713000000000, -0.0010624400000000 ] - [ 0.0000691900000000, 0.0006620300000000, -0.0001951100000000 ] - [ -0.0000726300000000, -0.0008448900000000, -0.0002402100000000 ] - [ 0.0001066100000000, -0.0003989600000000, -0.0000976100000000 ] - [ 0.0000726300000000, -0.0008448900000000, 0.0002402100000000 ] - [ -0.0001066100000000, -0.0003989600000000, 0.0000976100000000 ] - [ -0.0000040500000000, -0.0016747700000000, 0.0002280900000000 ] - [ 0.0000045700000000, -0.0010923900000000, 0.0002451600000000 ] - [ -0.0001440900000000, 0.0004445000000000, 0.0001433000000000 ] - [ 0.0001886500000000, 0.0004717600000000, 0.0000167700000000 ] - [ 0.0001440900000000, 0.0004445000000000, -0.0001433000000000 ] - [ -0.0001886500000000, 0.0004717600000000, -0.0000167700000000 ] - [ 0.0000040500000000, -0.0016747700000000, -0.0002280900000000 ] - [ -0.0000045700000000, -0.0010923900000000, -0.0002451600000000 ] - [ -0.0004120300000000, 0.0010785600000000, 0.0019102200000000 ] - [ 0.0003689800000000, 0.0005999900000000, 0.0003079700000000 ] - [ 0.0004120300000000, 0.0010785600000000, -0.0019102200000000 ] - [ -0.0003689800000000, 0.0005999900000000, -0.0003079700000000 ] - [ -0.0008922200000000, 0.0003622500000000, -0.0008928700000000 ] - [ 0.0005085100000000, -0.0000950700000000, -0.0000327600000000 ] - [ 0.0001267400000000, 0.0006655400000000, -0.0005352600000000 ] - [ -0.0001581200000000, 0.0005868400000000, -0.0002836400000000 ] - [ -0.0001267400000000, 0.0006655400000000, 0.0005352600000000 ] - [ 0.0001581200000000, 0.0005868400000000, 0.0002836400000000 ] - [ 0.0008922200000000, 0.0003622500000000, 0.0008928700000000 ] - [ -0.0005085100000000, -0.0000950700000000, 0.0000327600000000 ] - [ 0.0002150500000000, -0.0006479300000000, -0.0003786500000000 ] - [ -0.0001997400000000, 0.0001101400000000, -0.0002204600000000 ] - [ 0.0000449900000000, 0.0000231400000000, 0.0003719400000000 ] - [ -0.0000397300000000, -0.0001989300000000, 0.0002290300000000 ] - [ -0.0000449900000000, 0.0000231400000000, -0.0003719400000000 ] - [ 0.0000397300000000, -0.0001989300000000, -0.0002290300000000 ] - [ -0.0002150500000000, -0.0006479300000000, 0.0003786500000000 ] - [ 0.0001997400000000, 0.0001101400000000, 0.0002204600000000 ] - [ -0.0002087400000000, -0.0012285300000000, 0.0003518900000000 ] - [ 0.0002324700000000, -0.0007817400000000, 0.0001899500000000 ] - [ 0.0000382000000000, 0.0000054200000000, 0.0000439200000000 ] - [ -0.0000494700000000, 0.0001637100000000, -0.0000890400000000 ] - [ -0.0000382000000000, 0.0000054200000000, -0.0000439200000000 ] - [ 0.0000494700000000, 0.0001637100000000, 0.0000890400000000 ] - [ 0.0002087400000000, -0.0012285300000000, -0.0003518900000000 ] - [ -0.0002324700000000, -0.0007817400000000, -0.0001899500000000 ] - [ 0.0005548400000000, 0.0014146900000000, 0.0004419500000000 ] - [ -0.0004905800000000, 0.0006765000000000, -0.0000469400000000 ] - [ 0.0000305200000000, -0.0008186800000000, 0.0001585400000000 ] - [ -0.0000367000000000, -0.0007422500000000, 0.0001823300000000 ] - [ -0.0000305200000000, -0.0008186800000000, -0.0001585400000000 ] - [ 0.0000367000000000, -0.0007422500000000, -0.0001823300000000 ] - [ -0.0005548400000000, 0.0014146900000000, -0.0004419500000000 ] - [ 0.0004905800000000, 0.0006765000000000, 0.0000469400000000 ]- atom: 29 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002132300000000, -0.0002246700000000, 0.0002499400000000 ] - [ -0.0002499500000000, 0.0000529000000000, 0.0005569800000000 ] - [ -0.0004656300000000, 0.0009843400000000, -0.0005847700000000 ] - [ -0.0002462500000000, 0.0008704900000000, -0.0006026000000000 ] - [ 0.0002462500000000, 0.0008704900000000, 0.0006026000000000 ] - [ 0.0004656300000000, 0.0009843400000000, 0.0005847700000000 ] - [ 0.0002132300000000, -0.0002246700000000, -0.0002499400000000 ] - [ 0.0002499500000000, 0.0000529000000000, -0.0005569800000000 ] - [ 0.0002932700000000, 0.0022635600000000, 0.0000708200000000 ] - [ 0.0003164900000000, 0.0002891800000000, -0.0006312000000000 ] - [ 0.0004146700000000, -0.0000046400000000, 0.0004486500000000 ] - [ 0.0000425400000000, -0.0002887900000000, 0.0002526300000000 ] - [ -0.0000425400000000, -0.0002887900000000, -0.0002526300000000 ] - [ -0.0004146700000000, -0.0000046400000000, -0.0004486500000000 ] - [ -0.0002932700000000, 0.0022635600000000, -0.0000708200000000 ] - [ -0.0003164900000000, 0.0002891800000000, 0.0006312000000000 ] - [ -0.0001015700000000, -0.0012258000000000, -0.0007154200000000 ] - [ 0.0001032100000000, -0.0007745600000000, -0.0006584400000000 ] - [ -0.0000564400000000, 0.0008174900000000, 0.0007551100000000 ] - [ 0.0000614200000000, 0.0007427700000000, 0.0006724600000000 ] - [ 0.0000564400000000, 0.0008174900000000, -0.0007551100000000 ] - [ -0.0000614200000000, 0.0007427700000000, -0.0006724600000000 ] - [ 0.0001015700000000, -0.0012258000000000, 0.0007154200000000 ] - [ -0.0001032100000000, -0.0007745600000000, 0.0006584400000000 ] - [ 0.0047079500000000, -0.0045312600000000, -0.0054044300000000 ] - [ -0.0004189800000000, -0.0006221800000000, -0.0010012800000000 ] - [ -0.0000322400000000, 0.0011832000000000, 0.0007336200000000 ] - [ 0.0000469400000000, 0.0010830800000000, 0.0009771100000000 ] - [ 0.0000000000000000, 0.0259873000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0001624200000000, 0.0000000000000000 ] - [ 0.0000685900000000, 0.0005597700000000, 0.0000393300000000 ] - [ -0.0000685900000000, 0.0005597700000000, -0.0000393300000000 ] - [ 0.0000000000000000, 0.0005345800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0005812300000000, 0.0000000000000000 ] - [ 0.0000370900000000, 0.0012308600000000, 0.0000411400000000 ] - [ -0.0000370900000000, 0.0012308600000000, -0.0000411400000000 ] - [ -0.0047079500000000, -0.0045312600000000, 0.0054044300000000 ] - [ 0.0004189800000000, -0.0006221800000000, 0.0010012800000000 ] - [ 0.0000322400000000, 0.0011832000000000, -0.0007336200000000 ] - [ -0.0000469400000000, 0.0010830800000000, -0.0009771100000000 ] - [ -0.0005374400000000, 0.0000775000000000, 0.0010877300000000 ] - [ 0.0001950600000000, 0.0001209300000000, 0.0012965900000000 ] - [ -0.0002620100000000, -0.0007082200000000, -0.0006487800000000 ] - [ -0.0002421800000000, -0.0004400900000000, -0.0006422700000000 ] - [ 0.0002620100000000, -0.0007082200000000, 0.0006487800000000 ] - [ 0.0002421800000000, -0.0004400900000000, 0.0006422700000000 ] - [ -0.0001950600000000, 0.0001209300000000, -0.0012965900000000 ] - [ 0.0005374400000000, 0.0000775000000000, -0.0010877300000000 ] - [ 0.0002792100000000, -0.0005635500000000, -0.0006534700000000 ] - [ 0.0002275600000000, -0.0005904400000000, -0.0006366400000000 ] - [ 0.0001132400000000, 0.0000421700000000, 0.0013801200000000 ] - [ 0.0003511900000000, 0.0001727400000000, 0.0007737800000000 ] - [ -0.0001132400000000, 0.0000421700000000, -0.0013801200000000 ] - [ -0.0003511900000000, 0.0001727400000000, -0.0007737800000000 ] - [ -0.0002275600000000, -0.0005904400000000, 0.0006366400000000 ] - [ -0.0002792100000000, -0.0005635500000000, 0.0006534700000000 ] - [ -0.0036802200000000, -0.0031985000000000, 0.0035885900000000 ] - [ 0.0004390200000000, -0.0000949300000000, -0.0005245700000000 ] - [ -0.0000162700000000, 0.0001959300000000, 0.0005157900000000 ] - [ 0.0000262900000000, 0.0003235900000000, 0.0005757800000000 ] - [ 0.0000162700000000, 0.0001959300000000, -0.0005157900000000 ] - [ -0.0000262900000000, 0.0003235900000000, -0.0005757800000000 ] - [ 0.0036802200000000, -0.0031985000000000, -0.0035885900000000 ] - [ -0.0004390200000000, -0.0000949300000000, 0.0005245700000000 ] - [ 0.0000452300000000, -0.0020696600000000, -0.0010121000000000 ] - [ -0.0000873300000000, -0.0012110800000000, -0.0009998300000000 ] - [ -0.0000454000000000, 0.0006593500000000, 0.0011142600000000 ] - [ 0.0000517600000000, 0.0007228900000000, 0.0010858300000000 ] - [ 0.0000003600000000, -0.0010902700000000, 0.0000324400000000 ] - [ -0.0000003600000000, -0.0010902700000000, -0.0000324400000000 ] - [ 0.0000000000000000, 0.0006469000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006488700000000, 0.0000000000000000 ] - [ -0.0000505900000000, 0.0006462200000000, -0.0000124900000000 ] - [ 0.0000505900000000, 0.0006462200000000, 0.0000124900000000 ] - [ 0.0000000000000000, -0.0012628200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0009324800000000, 0.0000000000000000 ] - [ -0.0000452300000000, -0.0020696600000000, 0.0010121000000000 ] - [ 0.0000873300000000, -0.0012110800000000, 0.0009998300000000 ] - [ 0.0000454000000000, 0.0006593500000000, -0.0011142600000000 ] - [ -0.0000517600000000, 0.0007228900000000, -0.0010858300000000 ] - [ 0.0009430900000000, -0.0100012700000000, -0.0005306600000000 ] - [ 0.0000600800000000, -0.0016195800000000, 0.0002522600000000 ] - [ 0.0000700400000000, 0.0006780000000000, 0.0001702000000000 ] - [ -0.0000979900000000, 0.0005526400000000, -0.0001194000000000 ] - [ -0.0000700400000000, 0.0006780000000000, -0.0001702000000000 ] - [ 0.0000979900000000, 0.0005526400000000, 0.0001194000000000 ] - [ -0.0009430900000000, -0.0100012700000000, 0.0005306600000000 ] - [ -0.0000600800000000, -0.0016195800000000, -0.0002522600000000 ] - [ 0.0000725900000000, 0.0008448300000000, 0.0002409100000000 ] - [ -0.0001067000000000, 0.0003981200000000, 0.0000979000000000 ] - [ -0.0000725900000000, 0.0008448300000000, -0.0002409100000000 ] - [ 0.0001067000000000, 0.0003981200000000, -0.0000979000000000 ] - [ 0.0000015100000000, 0.0007162800000000, 0.0002280900000000 ] - [ -0.0000078800000000, 0.0001339400000000, 0.0002104000000000 ] - [ 0.0001470300000000, 0.0005156700000000, -0.0005986500000000 ] - [ -0.0001848300000000, 0.0004873100000000, -0.0004707300000000 ] - [ -0.0001470300000000, 0.0005156700000000, 0.0005986500000000 ] - [ 0.0001848300000000, 0.0004873100000000, 0.0004707300000000 ] - [ -0.0000015100000000, 0.0007162800000000, -0.0002280900000000 ] - [ 0.0000078800000000, 0.0001339400000000, -0.0002104000000000 ] - [ 0.0004176900000000, -0.0010638100000000, -0.0019111900000000 ] - [ -0.0003668300000000, -0.0005967700000000, -0.0003079600000000 ] - [ -0.0004176900000000, -0.0010638100000000, 0.0019111900000000 ] - [ 0.0003668300000000, -0.0005967700000000, 0.0003079600000000 ] - [ 0.0008669300000000, -0.0011466400000000, 0.0011393200000000 ] - [ -0.0005080800000000, -0.0006532400000000, 0.0003103600000000 ] - [ -0.0001262200000000, 0.0000774400000000, 0.0002556200000000 ] - [ 0.0001587700000000, 0.0001585400000000, 0.0000052600000000 ] - [ 0.0001262200000000, 0.0000774400000000, -0.0002556200000000 ] - [ -0.0001587700000000, 0.0001585400000000, -0.0000052600000000 ] - [ -0.0008669300000000, -0.0011466400000000, -0.0011393200000000 ] - [ 0.0005080800000000, -0.0006532400000000, -0.0003103600000000 ] - [ -0.0002157800000000, 0.0016116800000000, -0.0000178800000000 ] - [ 0.0002004600000000, 0.0008521400000000, -0.0001767600000000 ] - [ -0.0000470800000000, -0.0009843900000000, 0.0000245700000000 ] - [ 0.0000405700000000, -0.0007633600000000, 0.0001674600000000 ] - [ 0.0000470800000000, -0.0009843900000000, -0.0000245700000000 ] - [ -0.0000405700000000, -0.0007633600000000, -0.0001674600000000 ] - [ 0.0002157800000000, 0.0016116800000000, 0.0000178800000000 ] - [ -0.0002004600000000, 0.0008521400000000, 0.0001767600000000 ] - [ 0.0002073500000000, 0.0004815100000000, -0.0000717400000000 ] - [ -0.0002305900000000, 0.0000356000000000, 0.0000890100000000 ] - [ -0.0000383300000000, 0.0007405100000000, -0.0003213000000000 ] - [ 0.0000495500000000, 0.0005827400000000, -0.0001894100000000 ] - [ 0.0000383300000000, 0.0007405100000000, 0.0003213000000000 ] - [ -0.0000495500000000, 0.0005827400000000, 0.0001894100000000 ] - [ -0.0002073500000000, 0.0004815100000000, 0.0000717400000000 ] - [ 0.0002305900000000, 0.0000356000000000, -0.0000890100000000 ] - [ -0.0005965500000000, -0.0003832500000000, -0.0008796000000000 ] - [ 0.0004907500000000, 0.0002899400000000, -0.0003505500000000 ] - [ -0.0000308000000000, -0.0001445500000000, 0.0002387700000000 ] - [ 0.0000369400000000, -0.0002209200000000, 0.0002150100000000 ] - [ 0.0000308000000000, -0.0001445500000000, -0.0002387700000000 ] - [ -0.0000369400000000, -0.0002209200000000, -0.0002150100000000 ] - [ 0.0005965500000000, -0.0003832500000000, 0.0008796000000000 ] - [ -0.0004907500000000, 0.0002899400000000, 0.0003505500000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002772900000000, 0.0005586400000000, 0.0009741900000000 ] - [ -0.0003069300000000, 0.0002515000000000, 0.0007303200000000 ] - [ -0.0019728900000000, -0.0002745500000000, 0.0002101200000000 ] - [ 0.0004549100000000, -0.0002856800000000, -0.0005892500000000 ] - [ 0.0009936900000000, -0.0000065100000000, 0.0006968500000000 ] - [ -0.0014439000000000, -0.0000180200000000, 0.0014969300000000 ] - [ 0.0002599100000000, -0.0002666800000000, -0.0003176200000000 ] - [ 0.0002302900000000, 0.0000415200000000, -0.0005613000000000 ] - [ -0.0007141600000000, -0.0017663500000000, 0.0089805800000000 ] - [ 0.0003097600000000, -0.0001754000000000, -0.0006692800000000 ] - [ 0.0001030700000000, 0.0003691200000000, 0.0007842800000000 ] - [ 0.0004889000000000, 0.0005419700000000, 0.0010198900000000 ] - [ -0.0000478100000000, -0.0002500900000000, -0.0002707500000000 ] - [ -0.0004346000000000, -0.0000767500000000, -0.0005077000000000 ] - [ -0.0012766100000000, 0.0014991400000000, 0.0104528500000000 ] - [ -0.0002275500000000, -0.0001175400000000, 0.0006194000000000 ] - [ 0.0000574100000000, -0.0000778200000000, -0.0009765700000000 ] - [ -0.0000735400000000, -0.0003844500000000, -0.0007946100000000 ] - [ -0.0002912600000000, 0.0001959500000000, 0.0018078000000000 ] - [ 0.0001196600000000, 0.0004644500000000, 0.0009555500000000 ] - [ -0.0002948500000000, 0.0008170500000000, 0.0006037000000000 ] - [ 0.0001199700000000, 0.0005455900000000, -0.0002531200000000 ] - [ 0.0000574600000000, -0.0009324800000000, 0.0002300500000000 ] - [ -0.0000729000000000, -0.0006248600000000, 0.0004126900000000 ] - [ -0.0035085700000000, 0.0040624100000000, -0.0003376500000000 ] - [ 0.0002949700000000, -0.0009743300000000, -0.0014988200000000 ] - [ 0.0001592400000000, 0.0011260100000000, 0.0017153000000000 ] - [ -0.0001367400000000, 0.0010123000000000, 0.0013196500000000 ] - [ 0.0465686400000000, -0.0005847200000000, -0.0650748500000000 ] - [ -0.0001078800000000, -0.0006293100000000, -0.0004688400000000 ] - [ 0.0000192200000000, 0.0006682500000000, 0.0004018700000000 ] - [ 0.0000185400000000, 0.0005898800000000, 0.0004019800000000 ] - [ -0.0000040500000000, 0.0006289100000000, 0.0005116400000000 ] - [ -0.0000391200000000, 0.0006293600000000, 0.0002639400000000 ] - [ -0.0009078700000000, -0.0006723300000000, -0.0022814800000000 ] - [ -0.0008687600000000, -0.0005861300000000, -0.0022815300000000 ] - [ -0.0035213600000000, -0.0059200900000000, 0.0016948000000000 ] - [ 0.0002951600000000, -0.0008683800000000, 0.0005553900000000 ] - [ 0.0001598500000000, 0.0007175400000000, -0.0003416400000000 ] - [ -0.0001382500000000, 0.0008329500000000, -0.0007372400000000 ] - [ -0.0006348900000000, -0.0002782100000000, 0.0010963300000000 ] - [ 0.0000356300000000, -0.0000322100000000, 0.0010226000000000 ] - [ -0.0002305100000000, -0.0001155600000000, -0.0006207100000000 ] - [ -0.0002834200000000, -0.0001405600000000, -0.0006539400000000 ] - [ 0.0003065900000000, -0.0001773600000000, 0.0006694000000000 ] - [ 0.0002539200000000, -0.0001522200000000, 0.0006363100000000 ] - [ 0.0005724100000000, 0.0003252600000000, -0.0002714800000000 ] - [ -0.0000993000000000, 0.0005725500000000, -0.0001965500000000 ] - [ 0.0001684200000000, -0.0001325400000000, -0.0006302400000000 ] - [ 0.0003475800000000, -0.0001179100000000, -0.0006507000000000 ] - [ 0.0002861700000000, -0.0006174200000000, 0.0013620000000000 ] - [ 0.0003043800000000, 0.0000550900000000, 0.0007554100000000 ] - [ -0.0002501600000000, 0.0009151200000000, 0.0000695600000000 ] - [ -0.0002329200000000, 0.0002376800000000, -0.0005368400000000 ] - [ -0.0001893100000000, -0.0001753400000000, 0.0006397000000000 ] - [ -0.0003683600000000, -0.0001604100000000, 0.0006601100000000 ] - [ -0.0030644700000000, -0.0050534800000000, 0.0003191100000000 ] - [ 0.0002658900000000, -0.0004564800000000, -0.0010258700000000 ] - [ 0.0000240200000000, 0.0006013200000000, 0.0008842300000000 ] - [ -0.0000309600000000, 0.0005466200000000, 0.0007853800000000 ] - [ 0.0000234800000000, 0.0004079600000000, -0.0003234100000000 ] - [ -0.0000315200000000, 0.0004628500000000, -0.0004222600000000 ] - [ -0.0030789800000000, 0.0040618300000000, 0.0015074200000000 ] - [ 0.0002651700000000, -0.0005547900000000, 0.0001793100000000 ] - [ 0.0000047700000000, -0.0016111300000000, -0.0013198500000000 ] - [ -0.0000507400000000, -0.0010572700000000, -0.0011993600000000 ] - [ -0.0000373000000000, 0.0007977200000000, 0.0012950400000000 ] - [ 0.0000321900000000, 0.0008853400000000, 0.0011942600000000 ] - [ 0.0000197200000000, -0.0005969600000000, -0.0003301800000000 ] - [ 0.0000198700000000, -0.0006620300000000, -0.0003301200000000 ] - [ 0.0000886600000000, 0.0006303600000000, 0.0006283500000000 ] - [ 0.0000142100000000, 0.0006296700000000, 0.0002834900000000 ] - [ -0.0000473200000000, 0.0006428000000000, 0.0004533600000000 ] - [ -0.0000484500000000, 0.0006173900000000, 0.0004536800000000 ] - [ -0.0000179400000000, -0.0006289700000000, -0.0004373500000000 ] - [ -0.0000212200000000, -0.0006295200000000, -0.0002308900000000 ] - [ 0.0000047700000000, -0.0002354200000000, 0.0007365600000000 ] - [ -0.0000501600000000, -0.0007892800000000, 0.0008570600000000 ] - [ -0.0000379400000000, 0.0010493000000000, -0.0007620300000000 ] - [ 0.0000317500000000, 0.0009607400000000, -0.0008628900000000 ] - [ -0.0138540300000000, 0.0009133700000000, 0.0209152400000000 ] - [ -0.0001506000000000, -0.0004307000000000, 0.0013151500000000 ] - [ -0.0000912400000000, 0.0002323200000000, -0.0010730200000000 ] - [ 0.0001190500000000, 0.0003322800000000, -0.0006739200000000 ] - [ -0.0000948100000000, 0.0007266400000000, -0.0006165200000000 ] - [ 0.0001168300000000, 0.0006268000000000, -0.0002180900000000 ] - [ -0.0149069500000000, -0.0019434600000000, 0.0211332800000000 ] - [ -0.0001406300000000, -0.0005283200000000, 0.0008703500000000 ] - [ -0.0000960700000000, -0.0004650100000000, -0.0001257000000000 ] - [ 0.0001251800000000, -0.0001588100000000, -0.0000482900000000 ] - [ -0.0000960100000000, 0.0004662100000000, -0.0001247700000000 ] - [ 0.0001251900000000, 0.0001588900000000, -0.0000473000000000 ] - [ -0.0000690400000000, -0.0003983300000000, 0.0006854400000000 ] - [ 0.0000635900000000, -0.0004766700000000, 0.0005400100000000 ] - [ 0.0001467900000000, 0.0008731600000000, -0.0012408800000000 ] - [ -0.0001092300000000, 0.0005975500000000, -0.0007548700000000 ] - [ 0.0001450800000000, 0.0000829100000000, -0.0007856600000000 ] - [ -0.0001128700000000, 0.0003598500000000, -0.0002983100000000 ] - [ -0.0000660000000000, -0.0005581000000000, 0.0002304300000000 ] - [ 0.0000664200000000, -0.0004812400000000, 0.0000852700000000 ] - [ 0.0018444300000000, 0.0021871400000000, -0.0024069300000000 ] - [ -0.0004395100000000, 0.0001875800000000, -0.0001954800000000 ] - [ 0.0018603000000000, -0.0022061000000000, -0.0024040600000000 ] - [ -0.0004397200000000, -0.0001876700000000, -0.0001915500000000 ] - [ -0.0013112900000000, -0.0013762200000000, 0.0010921400000000 ] - [ 0.0006255400000000, -0.0005952300000000, 0.0003415700000000 ] - [ 0.0003188900000000, -0.0002341300000000, -0.0012035600000000 ] - [ -0.0001744200000000, 0.0002788700000000, -0.0004924100000000 ] - [ 0.0003217300000000, 0.0009847300000000, -0.0009264700000000 ] - [ -0.0001754600000000, 0.0004671400000000, -0.0002129900000000 ] - [ -0.0012949300000000, 0.0006025100000000, 0.0008488700000000 ] - [ 0.0006249800000000, -0.0001515100000000, 0.0000658400000000 ] - [ 0.0001008300000000, -0.0001805400000000, 0.0001808900000000 ] - [ -0.0001186200000000, 0.0003027100000000, 0.0000688600000000 ] - [ -0.0004732000000000, -0.0002160200000000, -0.0009896800000000 ] - [ 0.0002280500000000, -0.0003888000000000, -0.0002953200000000 ] - [ -0.0004777700000000, -0.0007490600000000, -0.0013895400000000 ] - [ 0.0002296500000000, -0.0005743700000000, -0.0006920300000000 ] - [ 0.0001010100000000, 0.0011421500000000, 0.0005788900000000 ] - [ -0.0001192000000000, 0.0006600000000000, 0.0004667600000000 ] - [ 0.0001202400000000, 0.0001008500000000, 0.0003874400000000 ] - [ -0.0001375900000000, -0.0002055000000000, 0.0002832300000000 ] - [ -0.0000748900000000, 0.0005465200000000, -0.0004265400000000 ] - [ 0.0000685300000000, 0.0004550200000000, -0.0003099800000000 ] - [ -0.0000754600000000, 0.0001990200000000, -0.0001473000000000 ] - [ 0.0000687800000000, 0.0002907700000000, -0.0000309500000000 ] - [ 0.0001202700000000, -0.0008462200000000, 0.0001099100000000 ] - [ -0.0001379300000000, -0.0005394800000000, 0.0000049500000000 ] - [ -0.0008232000000000, 0.0010605600000000, 0.0016025000000000 ] - [ 0.0005141300000000, 0.0007206400000000, 0.0002052800000000 ] - [ 0.0000345700000000, -0.0005410400000000, -0.0000569300000000 ] - [ -0.0000388300000000, -0.0005107600000000, 0.0000130400000000 ] - [ 0.0000348700000000, -0.0004214400000000, -0.0004536900000000 ] - [ -0.0000390900000000, -0.0004519300000000, -0.0003839700000000 ] - [ -0.0008073400000000, -0.0000685200000000, 0.0020245900000000 ] - [ 0.0005135000000000, 0.0002443800000000, 0.0006052600000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001596000000000, -0.0003550900000000, 0.0002341800000000 ] - [ -0.0007159700000000, 0.0006958100000000, 0.0011195400000000 ] - [ 0.0134357400000000, -0.0010844800000000, -0.0029210500000000 ] - [ -0.0023650300000000, 0.0001495400000000, -0.0010429000000000 ] - [ 0.0007490200000000, -0.0004608300000000, -0.0016917500000000 ] - [ -0.0006078000000000, -0.0001059700000000, 0.0013679500000000 ] - [ 0.0005321100000000, 0.0001145500000000, -0.0006201300000000 ] - [ 0.0000094100000000, 0.0002190600000000, -0.0007042100000000 ] - [ 0.0135329500000000, 0.0008996600000000, 0.0010598900000000 ] - [ -0.0018305100000000, -0.0004459400000000, -0.0002420800000000 ] - [ 0.0007024700000000, 0.0006489000000000, 0.0010585300000000 ] - [ -0.0001791400000000, -0.0003986300000000, 0.0001763500000000 ] - [ -0.0000038400000000, 0.0001766100000000, -0.0006691400000000 ] - [ -0.0005285000000000, 0.0000739000000000, -0.0005864400000000 ] - [ 0.0002079800000000, 0.0001686000000000, 0.0029849700000000 ] - [ -0.0011427900000000, -0.0001872700000000, -0.0000782700000000 ] - [ 0.0000129000000000, -0.0012818900000000, -0.0005655100000000 ] - [ 0.0000162000000000, 0.0002777600000000, -0.0006426900000000 ] - [ 0.0019373900000000, 0.0005051400000000, 0.0006021000000000 ] - [ -0.0008796400000000, 0.0005042200000000, 0.0006059900000000 ] - [ -0.0000254600000000, 0.0006695600000000, -0.0006903800000000 ] - [ -0.0000242300000000, 0.0003406900000000, -0.0005162100000000 ] - [ 0.0003009000000000, -0.0005063000000000, 0.0006045500000000 ] - [ -0.0002991500000000, -0.0005047300000000, 0.0006032000000000 ] - [ 0.0102196200000000, -0.0007438200000000, -0.0010124500000000 ] - [ -0.0022819700000000, -0.0009227200000000, -0.0010287600000000 ] - [ -0.0000994000000000, 0.0004257500000000, 0.0003389200000000 ] - [ -0.0000960500000000, 0.0014189300000000, 0.0017215300000000 ] - [ 0.0252528500000000, -0.0015735000000000, -0.0137420000000000 ] - [ -0.0031535800000000, -0.0006948500000000, -0.0001490400000000 ] - [ 0.0002777700000000, 0.0006977700000000, 0.0000934000000000 ] - [ -0.0002626900000000, 0.0005301700000000, -0.0001167500000000 ] - [ 0.0002757000000000, 0.0005602300000000, -0.0000923700000000 ] - [ -0.0002621600000000, 0.0007289800000000, 0.0001187900000000 ] - [ 0.0265842900000000, 0.0004122300000000, 0.0150244400000000 ] - [ -0.0031515300000000, -0.0005655900000000, 0.0001425900000000 ] - [ -0.0012063100000000, -0.0029356800000000, 0.0028945200000000 ] - [ -0.0012028800000000, 0.0010896300000000, -0.0008439900000000 ] - [ 0.0003246800000000, 0.0009224600000000, -0.0010279700000000 ] - [ -0.0003247000000000, 0.0009227800000000, -0.0010278600000000 ] - [ 0.0008757100000000, -0.0011106200000000, 0.0015154300000000 ] - [ -0.0012226700000000, 0.0004453200000000, 0.0001508700000000 ] - [ -0.0000376700000000, -0.0002023900000000, -0.0007160700000000 ] - [ -0.0005033500000000, -0.0000864300000000, -0.0005797500000000 ] - [ 0.0004947600000000, -0.0001474700000000, 0.0007014300000000 ] - [ 0.0000436400000000, -0.0001414700000000, 0.0005913900000000 ] - [ 0.0005941800000000, -0.0001190300000000, -0.0007911800000000 ] - [ -0.0000315500000000, 0.0003535300000000, -0.0004593700000000 ] - [ 0.0005028300000000, -0.0000900700000000, -0.0005746900000000 ] - [ 0.0000325700000000, -0.0002056300000000, -0.0007098600000000 ] - [ 0.0014061200000000, 0.0014075300000000, -0.0002273100000000 ] - [ -0.0006851600000000, -0.0001538000000000, 0.0011446100000000 ] - [ 0.0000547400000000, 0.0004124900000000, -0.0004979400000000 ] - [ -0.0005673700000000, -0.0000610000000000, -0.0008318400000000 ] - [ -0.0000415400000000, -0.0001451000000000, 0.0005905300000000 ] - [ -0.0004941800000000, -0.0001507500000000, 0.0006997800000000 ] - [ 0.0103427600000000, -0.0005477400000000, -0.0005988400000000 ] - [ -0.0018304600000000, -0.0005055100000000, -0.0006037400000000 ] - [ 0.0000045200000000, 0.0003621100000000, 0.0004545300000000 ] - [ 0.0000059300000000, 0.0006478500000000, 0.0007550400000000 ] - [ 0.0001397800000000, 0.0005051000000000, -0.0006030400000000 ] - [ -0.0001469200000000, 0.0005051000000000, -0.0006029400000000 ] - [ -0.0009159300000000, 0.0011396800000000, 0.0023925500000000 ] - [ -0.0009115400000000, -0.0021489400000000, -0.0011891500000000 ] - [ 0.0000374200000000, 0.0001629400000000, -0.0010218800000000 ] - [ 0.0000402600000000, -0.0020137100000000, -0.0010341400000000 ] - [ 0.0003578200000000, 0.0009238200000000, 0.0010282600000000 ] - [ -0.0002977500000000, 0.0009228900000000, 0.0010290400000000 ] - [ 0.0003048600000000, -0.0006322400000000, -0.0000672900000000 ] - [ -0.0003022100000000, -0.0006229500000000, 0.0000648500000000 ] - [ 0.0003182400000000, 0.0007752700000000, -0.0001458000000000 ] - [ -0.0003310300000000, 0.0004429900000000, 0.0001119800000000 ] - [ 0.0003191700000000, 0.0004842400000000, 0.0001460200000000 ] - [ -0.0003324900000000, 0.0008160900000000, -0.0001103900000000 ] - [ 0.0003019200000000, -0.0006266900000000, 0.0000680500000000 ] - [ -0.0003016100000000, -0.0006354000000000, -0.0000651500000000 ] - [ 0.0002714700000000, -0.0009210000000000, 0.0010291800000000 ] - [ -0.0002996100000000, -0.0009233000000000, 0.0010283800000000 ] - [ -0.0000006400000000, 0.0010175100000000, -0.0010374200000000 ] - [ 0.0000000700000000, 0.0008291300000000, -0.0010188000000000 ] - [ -0.1008622600000000, -0.0007788100000000, -0.0005917600000000 ] - [ 0.0041708700000000, -0.0004744500000000, 0.0002314600000000 ] - [ -0.0000192400000000, 0.0010002900000000, 0.0003456500000000 ] - [ -0.0000236200000000, -0.0000454500000000, -0.0008042600000000 ] - [ -0.0004408100000000, 0.0004827100000000, 0.0002263900000000 ] - [ 0.0004819900000000, 0.0004814100000000, 0.0002264100000000 ] - [ 0.0066090500000000, -0.0004086700000000, -0.0069122300000000 ] - [ 0.0066106300000000, -0.0005499200000000, 0.0064859900000000 ] - [ -0.0000092600000000, 0.0006632700000000, 0.0002732200000000 ] - [ -0.0000140400000000, -0.0006670100000000, -0.0002739100000000 ] - [ -0.0003851600000000, 0.0000008200000000, -0.0000002400000000 ] - [ 0.0004107000000000, -0.0000003200000000, 0.0000008000000000 ] - [ 0.0000063200000000, -0.0005524800000000, 0.0002051000000000 ] - [ 0.0000023300000000, -0.0004033500000000, 0.0002520900000000 ] - [ -0.0014049200000000, 0.0004759600000000, -0.0002261600000000 ] - [ 0.0010409000000000, 0.0004763400000000, -0.0002300000000000 ] - [ 0.0000052100000000, 0.0001512700000000, 0.0002725300000000 ] - [ 0.0000028700000000, 0.0008101200000000, 0.0001815200000000 ] - [ -0.0004895000000000, -0.0004818100000000, -0.0002265400000000 ] - [ 0.0004909800000000, -0.0004818600000000, -0.0002253100000000 ] - [ -0.0146295500000000, -0.0000389100000000, 0.0000594400000000 ] - [ 0.0025373300000000, 0.0000022900000000, -0.0000030100000000 ] - [ 0.0003561300000000, -0.0006655200000000, -0.0013209100000000 ] - [ 0.0003515700000000, 0.0006653700000000, 0.0013229600000000 ] - [ 0.0054747900000000, 0.0049694700000000, 0.0020123400000000 ] - [ 0.0055049700000000, -0.0057592400000000, -0.0017497900000000 ] - [ -0.0024187400000000, 0.0003773500000000, -0.0001311700000000 ] - [ 0.0011253600000000, 0.0003729400000000, -0.0001410600000000 ] - [ 0.0000319600000000, 0.0006344000000000, -0.0000905700000000 ] - [ 0.0000297200000000, 0.0001117500000000, 0.0003693400000000 ] - [ -0.0035152400000000, -0.0003669000000000, -0.0001500500000000 ] - [ 0.0013605100000000, -0.0003734100000000, -0.0001369700000000 ] - [ -0.0008898200000000, 0.0004898000000000, -0.0001977800000000 ] - [ 0.0008630100000000, 0.0004820800000000, -0.0001979600000000 ] - [ 0.0008393700000000, -0.0010691800000000, 0.0018858900000000 ] - [ 0.0008352100000000, 0.0001015300000000, -0.0014898700000000 ] - [ -0.0007112200000000, -0.0004788200000000, -0.0001986800000000 ] - [ 0.0006054200000000, -0.0004784600000000, -0.0001982500000000 ] - [ 0.0000139600000000, 0.0010421700000000, -0.0000598800000000 ] - [ 0.0000111600000000, -0.0000856600000000, 0.0004593400000000 ] - [ -0.0007950400000000, -0.0003761600000000, 0.0001400800000000 ] - [ 0.0007812300000000, -0.0003721700000000, 0.0001395000000000 ] - [ 0.0000436300000000, 0.0000746900000000, 0.0000587300000000 ] - [ 0.0000415300000000, 0.0006710800000000, -0.0003371300000000 ] - [ -0.0002605600000000, 0.0003725000000000, 0.0001391800000000 ] - [ 0.0002612100000000, 0.0003729000000000, 0.0001394500000000 ] - [ -0.0000044600000000, -0.0007018400000000, -0.0003385100000000 ] - [ -0.0000067000000000, -0.0000440100000000, 0.0000617200000000 ] - [ 0.0035804400000000, -0.0042321500000000, 0.0004887600000000 ] - [ 0.0035919000000000, 0.0052330600000000, -0.0008896900000000 ] - [ -0.0003133800000000, -0.0004841900000000, 0.0001992800000000 ] - [ 0.0003217200000000, -0.0004848800000000, 0.0001989900000000 ] - [ -0.0000018400000000, -0.0004471200000000, -0.0002074400000000 ] - [ -0.0000028400000000, -0.0005102300000000, -0.0001896200000000 ] - [ -0.0036583000000000, 0.0004698400000000, 0.0001870700000000 ] - [ 0.0013791600000000, 0.0004795900000000, 0.0002007200000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009029800000000, -0.0006615000000000, -0.0003469400000000 ] - [ 0.0000911700000000, -0.0002584300000000, 0.0002256400000000 ] - [ -0.0009186500000000, 0.0116828200000000, -0.0013796300000000 ] - [ -0.0002552400000000, 0.0012475500000000, -0.0006788800000000 ] - [ 0.0002335200000000, 0.0012001300000000, 0.0005147500000000 ] - [ 0.0003693900000000, 0.0004721100000000, 0.0006115900000000 ] - [ 0.0000860300000000, -0.0002275000000000, -0.0002671400000000 ] - [ 0.0003501500000000, 0.0000631900000000, -0.0005197100000000 ] - [ 0.0009186500000000, 0.0116828200000000, -0.0013796300000000 ] - [ 0.0002552400000000, 0.0012475500000000, -0.0006788800000000 ] - [ 0.0009029800000000, -0.0006615000000000, -0.0003469400000000 ] - [ -0.0000911700000000, -0.0002584300000000, 0.0002256400000000 ] - [ -0.0000860300000000, -0.0002275000000000, -0.0002671400000000 ] - [ -0.0003501500000000, 0.0000631900000000, -0.0005197100000000 ] - [ -0.0002335200000000, 0.0012001300000000, 0.0005147500000000 ] - [ -0.0003693900000000, 0.0004721100000000, 0.0006115900000000 ] - [ -0.0005448600000000, -0.0015395300000000, -0.0006269300000000 ] - [ 0.0005448600000000, -0.0015395300000000, -0.0006269300000000 ] - [ 0.0000000000000000, 0.0014447500000000, 0.0019159900000000 ] - [ 0.0000000000000000, 0.0008790900000000, 0.0007074700000000 ] - [ 0.0000924600000000, 0.0008323100000000, -0.0005549400000000 ] - [ -0.0000924600000000, 0.0008323100000000, -0.0005549400000000 ] - [ 0.0000000000000000, -0.0015750700000000, 0.0013564200000000 ] - [ 0.0000000000000000, -0.0007976500000000, 0.0007435500000000 ] - [ 0.0000000000000000, 0.0609093300000000, 0.0022498700000000 ] - [ 0.0000000000000000, -0.0003683500000000, -0.0007437100000000 ] - [ -0.0003122300000000, 0.0014911300000000, 0.0005987200000000 ] - [ 0.0003122300000000, 0.0014911300000000, 0.0005987200000000 ] - [ -0.0015888500000000, 0.0088788900000000, 0.0013527100000000 ] - [ -0.0000716200000000, 0.0005024200000000, 0.0000455200000000 ] - [ 0.0001261800000000, 0.0004250200000000, -0.0002446300000000 ] - [ -0.0001113000000000, 0.0005502000000000, -0.0001452300000000 ] - [ -0.0001261800000000, 0.0004250200000000, -0.0002446300000000 ] - [ 0.0001113000000000, 0.0005502000000000, -0.0001452300000000 ] - [ 0.0015888500000000, 0.0088788900000000, 0.0013527100000000 ] - [ 0.0000716200000000, 0.0005024200000000, 0.0000455200000000 ] - [ -0.0007444300000000, -0.0001446800000000, 0.0016455800000000 ] - [ 0.0007444300000000, -0.0001446800000000, 0.0016455800000000 ] - [ 0.0000000000000000, 0.0013135100000000, -0.0009556700000000 ] - [ 0.0000000000000000, 0.0011671900000000, -0.0010436900000000 ] - [ -0.0014015700000000, -0.0008433900000000, 0.0031400800000000 ] - [ 0.0000471000000000, 0.0001216800000000, 0.0011504900000000 ] - [ -0.0003311300000000, -0.0015672100000000, -0.0007279000000000 ] - [ -0.0001636100000000, -0.0008980600000000, -0.0006758600000000 ] - [ 0.0002076400000000, -0.0008705900000000, 0.0006993700000000 ] - [ 0.0002776100000000, -0.0006082600000000, 0.0006593600000000 ] - [ -0.0001920000000000, 0.0000794000000000, -0.0012745500000000 ] - [ 0.0004460500000000, 0.0001545700000000, -0.0007830500000000 ] - [ 0.0003311300000000, -0.0015672100000000, -0.0007279000000000 ] - [ 0.0001636100000000, -0.0008980600000000, -0.0006758600000000 ] - [ 0.0014015700000000, -0.0008433900000000, 0.0031400800000000 ] - [ -0.0000471000000000, 0.0001216800000000, 0.0011504900000000 ] - [ 0.0001920000000000, 0.0000794000000000, -0.0012745500000000 ] - [ -0.0004460500000000, 0.0001545700000000, -0.0007830500000000 ] - [ -0.0002076400000000, -0.0008705900000000, 0.0006993700000000 ] - [ -0.0002776100000000, -0.0006082600000000, 0.0006593600000000 ] - [ 0.0000000000000000, 0.0129356200000000, 0.0001438600000000 ] - [ 0.0000000000000000, 0.0001594600000000, -0.0005382100000000 ] - [ -0.0001418500000000, -0.0001023000000000, 0.0003719800000000 ] - [ 0.0001418500000000, -0.0001023000000000, 0.0003719800000000 ] - [ 0.0000000000000000, 0.0000614100000000, -0.0005784100000000 ] - [ 0.0000000000000000, 0.0002574300000000, -0.0006080300000000 ] - [ 0.0006169900000000, 0.0001688300000000, -0.0001023900000000 ] - [ -0.0006169900000000, 0.0001688300000000, -0.0001023900000000 ] - [ 0.0004078900000000, -0.0021872000000000, -0.0010836800000000 ] - [ -0.0004078900000000, -0.0021872000000000, -0.0010836800000000 ] - [ 0.0000000000000000, 0.0000409500000000, 0.0014715000000000 ] - [ 0.0000000000000000, 0.0005443000000000, 0.0011402400000000 ] - [ 0.0001051000000000, -0.0018323200000000, 0.0000770800000000 ] - [ -0.0000166100000000, -0.0012491300000000, -0.0000002300000000 ] - [ 0.0001927000000000, 0.0005901400000000, 0.0003970100000000 ] - [ -0.0000832400000000, 0.0006176200000000, 0.0001200300000000 ] - [ -0.0001927000000000, 0.0005901400000000, 0.0003970100000000 ] - [ 0.0000832400000000, 0.0006176200000000, 0.0001200300000000 ] - [ -0.0001051000000000, -0.0018323200000000, 0.0000770800000000 ] - [ 0.0000166100000000, -0.0012491300000000, -0.0000002300000000 ] - [ 0.0000000000000000, -0.0024218500000000, 0.0006359700000000 ] - [ 0.0000000000000000, -0.0012884800000000, 0.0009529400000000 ] - [ 0.0000902300000000, 0.0005579300000000, -0.0010144600000000 ] - [ -0.0000902300000000, 0.0005579300000000, -0.0010144600000000 ] - [ 0.0000000000000000, -0.1290371100000000, 0.0100791400000000 ] - [ 0.0000000000000000, -0.0025333900000000, 0.0001960800000000 ] - [ 0.0005226500000000, 0.0006929300000000, 0.0005771200000000 ] - [ -0.0005226500000000, 0.0006929300000000, 0.0005771200000000 ] - [ 0.0000000000000000, 0.0007973600000000, 0.0001486600000000 ] - [ 0.0000000000000000, 0.0005221000000000, 0.0002688200000000 ] - [ -0.0000583200000000, -0.0028370000000000, -0.0002276400000000 ] - [ 0.0000583200000000, -0.0028370000000000, -0.0002276400000000 ] - [ 0.0005872100000000, 0.0014479500000000, 0.0004215300000000 ] - [ -0.0005872100000000, 0.0014479500000000, 0.0004215300000000 ] - [ 0.0000000000000000, 0.0009970000000000, -0.0005065800000000 ] - [ 0.0000000000000000, 0.0004241800000000, -0.0001332800000000 ] - [ 0.0000742400000000, 0.0014242700000000, 0.0002341400000000 ] - [ -0.0000742400000000, 0.0014242700000000, 0.0002341400000000 ] - [ 0.0000000000000000, 0.0009556600000000, -0.0021881600000000 ] - [ 0.0000000000000000, 0.0005186400000000, -0.0006737500000000 ] - [ -0.0003301700000000, 0.0005223800000000, 0.0002747800000000 ] - [ 0.0003301700000000, 0.0005223800000000, 0.0002747800000000 ] - [ 0.0000000000000000, 0.0015879300000000, -0.0003651500000000 ] - [ 0.0000000000000000, 0.0003284800000000, -0.0002425800000000 ] - [ 0.0000000000000000, 0.0044555000000000, -0.0241660000000000 ] - [ 0.0000000000000000, -0.0010084200000000, -0.0004466400000000 ] - [ -0.0004616700000000, -0.0007752300000000, 0.0005293700000000 ] - [ 0.0004616700000000, -0.0007752300000000, 0.0005293700000000 ] - [ 0.0056476200000000, -0.0005619400000000, 0.0014059500000000 ] - [ -0.0056476200000000, -0.0005619400000000, 0.0014059500000000 ] - [ 0.0000000000000000, -0.0003728700000000, 0.0029724700000000 ] - [ 0.0000000000000000, -0.0000912600000000, 0.0001865200000000 ] - [ 0.0002233200000000, -0.0000149800000000, 0.0000359500000000 ] - [ -0.0002233200000000, -0.0000149800000000, 0.0000359500000000 ] - [ 0.0000000000000000, -0.0004385300000000, -0.0049023000000000 ] - [ 0.0000000000000000, -0.0007322900000000, -0.0003561400000000 ] - [ 0.0000000000000000, 0.0055263900000000, -0.0000515200000000 ] - [ 0.0000000000000000, 0.0011080200000000, -0.0002796700000000 ] - [ -0.0004387300000000, -0.0013351800000000, -0.0002738400000000 ] - [ 0.0004387300000000, -0.0013351800000000, -0.0002738400000000 ] - [ 0.0000000000000000, -0.0012688400000000, -0.0001642800000000 ] - [ 0.0000000000000000, -0.0008470900000000, -0.0002499500000000 ] - [ 0.0004588800000000, 0.0011514000000000, -0.0002160900000000 ] - [ -0.0004588800000000, 0.0011514000000000, -0.0002160900000000 ] - [ 0.0000000000000000, 0.0030183300000000, -0.0001307500000000 ] - [ 0.0000000000000000, 0.0003282300000000, 0.0001125300000000 ] - [ -0.0003093000000000, 0.0011031500000000, -0.0004015800000000 ] - [ 0.0003093000000000, 0.0011031500000000, -0.0004015800000000 ] - [ 0.0000000000000000, 0.0009000200000000, 0.0002314700000000 ] - [ 0.0000000000000000, 0.0006511900000000, 0.0001259100000000 ] - [ -0.0003165700000000, 0.0003158000000000, 0.0001103100000000 ] - [ 0.0003165700000000, 0.0003158000000000, 0.0001103100000000 ] - [ -0.0047390500000000, 0.0012882200000000, -0.0004307000000000 ] - [ 0.0047390500000000, 0.0012882200000000, -0.0004307000000000 ] - [ 0.0000000000000000, 0.0004486700000000, 0.0004638400000000 ] - [ 0.0000000000000000, 0.0000093700000000, 0.0002778600000000 ] - [ 0.0000673800000000, -0.0000420900000000, -0.0001955500000000 ] - [ -0.0000673800000000, -0.0000420900000000, -0.0001955500000000 ] - [ 0.0000000000000000, 0.0021983200000000, 0.0063790500000000 ] - [ 0.0000000000000000, 0.0002416800000000, 0.0005092100000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0003624100000000, 0.0009498400000000, 0.0016390000000000 ] - [ -0.0006333300000000, 0.0005458600000000, 0.0010649900000000 ] - [ 0.0003293500000000, -0.0119868300000000, 0.0001397200000000 ] - [ -0.0002870900000000, -0.0015466200000000, -0.0006103500000000 ] - [ 0.0003066300000000, -0.0014957700000000, 0.0007834800000000 ] - [ 0.0001712300000000, -0.0007697000000000, 0.0006791700000000 ] - [ 0.0004560600000000, 0.0005143700000000, -0.0010238000000000 ] - [ 0.0001913900000000, 0.0002229600000000, -0.0007707800000000 ] - [ -0.0003293500000000, -0.0119868300000000, 0.0001397200000000 ] - [ 0.0002870900000000, -0.0015466200000000, -0.0006103500000000 ] - [ -0.0003624100000000, 0.0009498400000000, 0.0016390000000000 ] - [ 0.0006333300000000, 0.0005458600000000, 0.0010649900000000 ] - [ -0.0004560600000000, 0.0005143700000000, -0.0010238000000000 ] - [ -0.0001913900000000, 0.0002229600000000, -0.0007707800000000 ] - [ -0.0003066300000000, -0.0014957700000000, 0.0007834800000000 ] - [ -0.0001712300000000, -0.0007697000000000, 0.0006791700000000 ] - [ 0.0005457200000000, 0.0005351300000000, -0.0005751500000000 ] - [ -0.0005457200000000, 0.0005351300000000, -0.0005751500000000 ] - [ 0.0000000000000000, -0.0004418900000000, -0.0007195800000000 ] - [ 0.0000000000000000, 0.0001157700000000, 0.0004945200000000 ] - [ -0.0000923100000000, 0.0001647800000000, -0.0006474200000000 ] - [ 0.0000923100000000, 0.0001647800000000, -0.0006474200000000 ] - [ 0.0000000000000000, 0.0005693700000000, -0.0001574500000000 ] - [ 0.0000000000000000, -0.0002095200000000, 0.0004565100000000 ] - [ 0.0000000000000000, -0.0672136400000000, -0.0046309700000000 ] - [ 0.0000000000000000, -0.0014850500000000, -0.0013127000000000 ] - [ 0.0003119300000000, 0.0003452600000000, 0.0014558000000000 ] - [ -0.0003119300000000, 0.0003452600000000, 0.0014558000000000 ] - [ 0.0017528000000000, -0.0101823300000000, -0.0014964200000000 ] - [ 0.0000799300000000, -0.0017686500000000, -0.0000482000000000 ] - [ -0.0001260200000000, 0.0008296100000000, 0.0002446100000000 ] - [ 0.0001117500000000, 0.0007044500000000, 0.0001454800000000 ] - [ 0.0001260200000000, 0.0008296100000000, 0.0002446100000000 ] - [ -0.0001117500000000, 0.0007044500000000, 0.0001454800000000 ] - [ -0.0017528000000000, -0.0101823300000000, -0.0014964200000000 ] - [ -0.0000799300000000, -0.0017686500000000, -0.0000482000000000 ] - [ 0.0007433000000000, -0.0017161300000000, 0.0004101500000000 ] - [ -0.0007433000000000, -0.0017161300000000, 0.0004101500000000 ] - [ 0.0000000000000000, 0.0005244600000000, -0.0011000300000000 ] - [ 0.0000000000000000, 0.0006711700000000, -0.0010113600000000 ] - [ 0.0008552400000000, 0.0011321500000000, -0.0018396500000000 ] - [ -0.0005882000000000, 0.0001669500000000, 0.0001410200000000 ] - [ -0.0002103700000000, 0.0012692200000000, -0.0005619000000000 ] - [ -0.0003789000000000, 0.0006005800000000, -0.0006138700000000 ] - [ 0.0003345900000000, 0.0005731100000000, 0.0005893100000000 ] - [ 0.0002641800000000, 0.0003108300000000, 0.0006296100000000 ] - [ 0.0007314200000000, 0.0002086800000000, -0.0000182100000000 ] - [ 0.0000963400000000, 0.0001337200000000, -0.0005071800000000 ] - [ 0.0002103700000000, 0.0012692200000000, -0.0005619000000000 ] - [ 0.0003789000000000, 0.0006005800000000, -0.0006138700000000 ] - [ -0.0008552400000000, 0.0011321500000000, -0.0018396500000000 ] - [ 0.0005882000000000, 0.0001669500000000, 0.0001410200000000 ] - [ -0.0007314200000000, 0.0002086800000000, -0.0000182100000000 ] - [ -0.0000963400000000, 0.0001337200000000, -0.0005071800000000 ] - [ -0.0003345900000000, 0.0005731100000000, 0.0005893100000000 ] - [ -0.0002641800000000, 0.0003108300000000, 0.0006296100000000 ] - [ 0.0000000000000000, -0.0121666000000000, -0.0015194900000000 ] - [ 0.0000000000000000, -0.0011626500000000, -0.0006648400000000 ] - [ 0.0001422600000000, 0.0010974800000000, 0.0008302800000000 ] - [ -0.0001422600000000, 0.0010974800000000, 0.0008302800000000 ] - [ 0.0000000000000000, 0.0009343300000000, -0.0006225400000000 ] - [ 0.0000000000000000, 0.0007375400000000, -0.0005927000000000 ] - [ -0.0006170500000000, -0.0011667400000000, 0.0013044700000000 ] - [ 0.0006170500000000, -0.0011667400000000, 0.0013044700000000 ] - [ -0.0004063700000000, 0.0003366800000000, -0.0009712000000000 ] - [ 0.0004063700000000, 0.0003366800000000, -0.0009712000000000 ] - [ 0.0000000000000000, 0.0017998500000000, 0.0005842000000000 ] - [ 0.0000000000000000, 0.0012970500000000, 0.0009144700000000 ] - [ -0.0001052900000000, 0.0005663300000000, -0.0000777600000000 ] - [ 0.0000173400000000, -0.0000163700000000, -0.0000006800000000 ] - [ -0.0001921700000000, 0.0006666200000000, -0.0003970800000000 ] - [ 0.0000837700000000, 0.0006389600000000, -0.0001204300000000 ] - [ 0.0001921700000000, 0.0006666200000000, -0.0003970800000000 ] - [ -0.0000837700000000, 0.0006389600000000, -0.0001204300000000 ] - [ 0.0001052900000000, 0.0005663300000000, -0.0000777600000000 ] - [ -0.0000173400000000, -0.0000163700000000, -0.0000006800000000 ] - [ 0.0000000000000000, 0.0005689800000000, 0.0014173300000000 ] - [ 0.0000000000000000, -0.0005601800000000, 0.0011016100000000 ] - [ -0.0000899000000000, 0.0012834300000000, -0.0010414700000000 ] - [ 0.0000899000000000, 0.0012834300000000, -0.0010414700000000 ] - [ 0.0000000000000000, 0.1315779200000000, -0.0086977800000000 ] - [ 0.0000000000000000, 0.0015820800000000, 0.0002755200000000 ] - [ -0.0005233400000000, 0.0002515800000000, -0.0010481000000000 ] - [ 0.0005233400000000, 0.0002515800000000, -0.0010481000000000 ] - [ 0.0000000000000000, 0.0001540700000000, 0.0003168100000000 ] - [ 0.0000000000000000, 0.0004316100000000, 0.0001947800000000 ] - [ 0.0000825600000000, 0.0018775700000000, -0.0002594500000000 ] - [ -0.0000825600000000, 0.0018775700000000, -0.0002594500000000 ] - [ -0.0005885800000000, -0.0014541800000000, -0.0004232300000000 ] - [ 0.0005885800000000, -0.0014541800000000, -0.0004232300000000 ] - [ 0.0000000000000000, -0.0010024400000000, 0.0005078300000000 ] - [ 0.0000000000000000, -0.0004291000000000, 0.0001337200000000 ] - [ -0.0000753000000000, -0.0023784400000000, 0.0002342200000000 ] - [ 0.0000753000000000, -0.0023784400000000, 0.0002342200000000 ] - [ 0.0000000000000000, -0.0000206500000000, 0.0017129700000000 ] - [ 0.0000000000000000, 0.0004209400000000, 0.0002036900000000 ] - [ 0.0003289700000000, 0.0004255600000000, 0.0001914000000000 ] - [ -0.0003289700000000, 0.0004255600000000, 0.0001914000000000 ] - [ 0.0000000000000000, -0.0025492000000000, -0.0000996500000000 ] - [ 0.0000000000000000, -0.0012938300000000, -0.0002209500000000 ] - [ 0.0000000000000000, -0.0044918400000000, 0.0239548600000000 ] - [ 0.0000000000000000, 0.0010007600000000, 0.0004441400000000 ] - [ 0.0004610700000000, 0.0007658800000000, -0.0005309400000000 ] - [ -0.0004610700000000, 0.0007658800000000, -0.0005309400000000 ] - [ -0.0056628900000000, -0.0001655700000000, -0.0011362500000000 ] - [ 0.0056628900000000, -0.0001655700000000, -0.0011362500000000 ] - [ 0.0000000000000000, 0.0011228400000000, -0.0032481600000000 ] - [ 0.0000000000000000, 0.0008300800000000, -0.0004600700000000 ] - [ -0.0002238300000000, 0.0007535300000000, 0.0002351800000000 ] - [ 0.0002238300000000, 0.0007535300000000, 0.0002351800000000 ] - [ 0.0000000000000000, -0.0002911600000000, 0.0046404500000000 ] - [ 0.0000000000000000, -0.0000112200000000, 0.0000835200000000 ] - [ 0.0000000000000000, -0.0045869500000000, -0.0003556500000000 ] - [ 0.0000000000000000, -0.0001490600000000, -0.0001260500000000 ] - [ 0.0004428600000000, 0.0003630400000000, 0.0006831100000000 ] - [ -0.0004428600000000, 0.0003630400000000, 0.0006831100000000 ] - [ 0.0000000000000000, 0.0003099800000000, -0.0002399400000000 ] - [ 0.0000000000000000, -0.0001113800000000, -0.0001558800000000 ] - [ -0.0004600100000000, -0.0002024100000000, 0.0006225700000000 ] - [ 0.0004600100000000, -0.0002024100000000, 0.0006225700000000 ] - [ 0.0000000000000000, -0.0037568500000000, 0.0004006900000000 ] - [ 0.0000000000000000, -0.0010763800000000, 0.0001589100000000 ] - [ 0.0003085600000000, -0.0003687400000000, 0.0001278500000000 ] - [ -0.0003085600000000, -0.0003687400000000, 0.0001278500000000 ] - [ 0.0000000000000000, -0.0001656700000000, 0.0000413500000000 ] - [ 0.0000000000000000, 0.0000828400000000, 0.0001461700000000 ] - [ 0.0003150300000000, -0.0010636700000000, -0.0003817400000000 ] - [ -0.0003150300000000, -0.0010636700000000, -0.0003817400000000 ] - [ 0.0047184700000000, -0.0003365700000000, 0.0000233400000000 ] - [ -0.0047184700000000, -0.0003365700000000, 0.0000233400000000 ] - [ 0.0000000000000000, -0.0014201200000000, -0.0000592400000000 ] - [ 0.0000000000000000, -0.0009809100000000, 0.0001276800000000 ] - [ -0.0000678200000000, -0.0009177300000000, -0.0002104200000000 ] - [ 0.0000678200000000, -0.0009177300000000, -0.0002104200000000 ] - [ 0.0000000000000000, -0.0012554300000000, -0.0059392100000000 ] - [ 0.0000000000000000, 0.0007046600000000, -0.0001036700000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0006992800000000, -0.0006549500000000, 0.0008881200000000 ] - [ -0.0000848800000000, -0.0000848100000000, 0.0007594700000000 ] - [ -0.0019324600000000, -0.0003189600000000, 0.0118120200000000 ] - [ -0.0008930400000000, -0.0001015300000000, 0.0000803700000000 ] - [ -0.0006711400000000, -0.0006690400000000, -0.0018549100000000 ] - [ 0.0010428500000000, -0.0002315700000000, -0.0000836000000000 ] - [ 0.0004949200000000, 0.0006841800000000, -0.0014504600000000 ] - [ 0.0002049200000000, 0.0002794500000000, -0.0009444700000000 ] - [ 0.0019324600000000, -0.0003189600000000, 0.0118120200000000 ] - [ 0.0008930400000000, -0.0001015300000000, 0.0000803700000000 ] - [ 0.0006992800000000, -0.0006549500000000, 0.0008881200000000 ] - [ 0.0000848800000000, -0.0000848100000000, 0.0007594700000000 ] - [ -0.0004949200000000, 0.0006841800000000, -0.0014504600000000 ] - [ -0.0002049200000000, 0.0002794500000000, -0.0009444700000000 ] - [ 0.0006711400000000, -0.0006690400000000, -0.0018549100000000 ] - [ -0.0010428500000000, -0.0002315700000000, -0.0000836000000000 ] - [ -0.0000245400000000, -0.0006861500000000, -0.0001542100000000 ] - [ 0.0000245400000000, -0.0006861500000000, -0.0001542100000000 ] - [ 0.0000000000000000, 0.0021438800000000, -0.0028695400000000 ] - [ 0.0000000000000000, 0.0006913900000000, 0.0003875600000000 ] - [ 0.0001315400000000, 0.0004750500000000, -0.0018792600000000 ] - [ -0.0001315400000000, 0.0004750500000000, -0.0018792600000000 ] - [ 0.0000000000000000, 0.0002574200000000, 0.0009062500000000 ] - [ 0.0000000000000000, -0.0003449700000000, 0.0007513200000000 ] - [ 0.0000000000000000, 0.0032368300000000, 0.0095849900000000 ] - [ 0.0000000000000000, -0.0007216000000000, -0.0003188400000000 ] - [ -0.0008080100000000, 0.0002100000000000, 0.0003662200000000 ] - [ 0.0008080100000000, 0.0002100000000000, 0.0003662200000000 ] - [ -0.0139485700000000, 0.0002022400000000, 0.0213623000000000 ] - [ -0.0017165400000000, -0.0006571600000000, 0.0010948900000000 ] - [ 0.0001815600000000, 0.0002329000000000, -0.0008401400000000 ] - [ -0.0001446900000000, 0.0005207000000000, -0.0004424800000000 ] - [ -0.0001815600000000, 0.0002329000000000, -0.0008401400000000 ] - [ 0.0001446900000000, 0.0005207000000000, -0.0004424800000000 ] - [ 0.0139485700000000, 0.0002022400000000, 0.0213623000000000 ] - [ 0.0017165400000000, -0.0006571600000000, 0.0010948900000000 ] - [ 0.0017647200000000, 0.0008294700000000, 0.0004727100000000 ] - [ -0.0017647200000000, 0.0008294700000000, 0.0004727100000000 ] - [ 0.0000000000000000, 0.0009404700000000, -0.0025509400000000 ] - [ 0.0000000000000000, 0.0009346000000000, -0.0014791400000000 ] - [ 0.0004393700000000, 0.0025107000000000, 0.0001923500000000 ] - [ -0.0004401300000000, 0.0004590200000000, 0.0009072700000000 ] - [ -0.0003213800000000, -0.0001678500000000, -0.0004278100000000 ] - [ -0.0002115300000000, -0.0001613000000000, -0.0004665500000000 ] - [ 0.0003306600000000, -0.0000975400000000, 0.0004592800000000 ] - [ 0.0001960900000000, -0.0001348900000000, 0.0005180500000000 ] - [ -0.0001314000000000, -0.0002459400000000, -0.0018169300000000 ] - [ 0.0004746700000000, -0.0000504400000000, -0.0011967000000000 ] - [ 0.0003213800000000, -0.0001678500000000, -0.0004278100000000 ] - [ 0.0002115300000000, -0.0001613000000000, -0.0004665500000000 ] - [ -0.0004393700000000, 0.0025107000000000, 0.0001923500000000 ] - [ 0.0004401300000000, 0.0004590200000000, 0.0009072700000000 ] - [ 0.0001314000000000, -0.0002459400000000, -0.0018169300000000 ] - [ -0.0004746700000000, -0.0000504400000000, -0.0011967000000000 ] - [ -0.0003306600000000, -0.0000975400000000, 0.0004592800000000 ] - [ -0.0001960900000000, -0.0001348900000000, 0.0005180500000000 ] - [ 0.0000000000000000, 0.0004825100000000, 0.0117584200000000 ] - [ 0.0000000000000000, -0.0005655500000000, 0.0001565900000000 ] - [ -0.0001087400000000, 0.0003650500000000, 0.0004066600000000 ] - [ 0.0001087400000000, 0.0003650500000000, 0.0004066600000000 ] - [ 0.0000000000000000, 0.0005788800000000, -0.0011244800000000 ] - [ 0.0000000000000000, 0.0005303400000000, -0.0008878900000000 ] - [ 0.0014614900000000, -0.0019791400000000, 0.0001012700000000 ] - [ -0.0014614900000000, -0.0019791400000000, 0.0001012700000000 ] - [ -0.0000383000000000, -0.0008001200000000, -0.0006943800000000 ] - [ 0.0000383000000000, -0.0008001200000000, -0.0006943800000000 ] - [ 0.0000000000000000, 0.0014323800000000, 0.0006894300000000 ] - [ 0.0000000000000000, 0.0010500300000000, 0.0009118400000000 ] - [ -0.0000804400000000, -0.0006294900000000, 0.0004602100000000 ] - [ 0.0000151800000000, -0.0006114800000000, 0.0003147600000000 ] - [ -0.0002723800000000, 0.0009984300000000, -0.0010093000000000 ] - [ 0.0001072000000000, 0.0008717800000000, -0.0005229500000000 ] - [ 0.0002723800000000, 0.0009984300000000, -0.0010093000000000 ] - [ -0.0001072000000000, 0.0008717800000000, -0.0005229500000000 ] - [ 0.0000804400000000, -0.0006294900000000, 0.0004602100000000 ] - [ -0.0000151800000000, -0.0006114800000000, 0.0003147600000000 ] - [ 0.0000000000000000, -0.0021936700000000, 0.0013187000000000 ] - [ 0.0000000000000000, -0.0011147900000000, 0.0011660900000000 ] - [ 0.0000236200000000, 0.0009323600000000, -0.0014202000000000 ] - [ -0.0000236200000000, 0.0009323600000000, -0.0014202000000000 ] - [ 0.0000000000000000, 0.0083854600000000, -0.1088729700000000 ] - [ 0.0000000000000000, -0.0005236700000000, -0.0019945500000000 ] - [ 0.0005731300000000, 0.0012937300000000, 0.0003415200000000 ] - [ -0.0005731300000000, 0.0012937300000000, 0.0003415200000000 ] - [ 0.0000000000000000, 0.0005673800000000, 0.0020319900000000 ] - [ 0.0000000000000000, 0.0004489000000000, 0.0009550600000000 ] - [ -0.0067055100000000, -0.0005026000000000, 0.0037061800000000 ] - [ 0.0067055100000000, -0.0005026000000000, 0.0037061800000000 ] - [ 0.0002528400000000, 0.0003954200000000, -0.0003127300000000 ] - [ -0.0002528400000000, 0.0003954200000000, -0.0003127300000000 ] - [ 0.0000000000000000, -0.0006773500000000, 0.0005571700000000 ] - [ 0.0000000000000000, -0.0001564300000000, 0.0002800400000000 ] - [ 0.0000240100000000, -0.0004823100000000, -0.0003804800000000 ] - [ -0.0000240100000000, -0.0004823100000000, -0.0003804800000000 ] - [ 0.0000000000000000, -0.0014627200000000, 0.0015464200000000 ] - [ 0.0000000000000000, 0.0000446100000000, 0.0001349500000000 ] - [ -0.0000469500000000, 0.0004459000000000, 0.0016491700000000 ] - [ 0.0000469500000000, 0.0004459000000000, 0.0016491700000000 ] - [ 0.0000000000000000, -0.0003531200000000, -0.0006231900000000 ] - [ 0.0000000000000000, -0.0004761200000000, -0.0004733000000000 ] - [ 0.0000000000000000, -0.0241457200000000, 0.0154536900000000 ] - [ 0.0000000000000000, -0.0004112500000000, -0.0006263400000000 ] - [ -0.0011098000000000, 0.0007787100000000, 0.0019473100000000 ] - [ 0.0011098000000000, 0.0007787100000000, 0.0019473100000000 ] - [ 0.0018818700000000, 0.0008495800000000, -0.0028981500000000 ] - [ -0.0018818700000000, 0.0008495800000000, -0.0028981500000000 ] - [ 0.0000000000000000, 0.0042930200000000, 0.0040150900000000 ] - [ 0.0000000000000000, 0.0006756700000000, -0.0000074900000000 ] - [ -0.0002166300000000, 0.0001737700000000, 0.0012836700000000 ] - [ 0.0002166300000000, 0.0001737700000000, 0.0012836700000000 ] - [ 0.0000000000000000, -0.0051854900000000, 0.0049997700000000 ] - [ 0.0000000000000000, -0.0007069600000000, -0.0000414600000000 ] - [ 0.0000000000000000, 0.0007612600000000, -0.0010702900000000 ] - [ 0.0000000000000000, 0.0005920200000000, -0.0005855200000000 ] - [ 0.0017308300000000, -0.0012220800000000, 0.0020916400000000 ] - [ -0.0017308300000000, -0.0012220800000000, 0.0020916400000000 ] - [ 0.0000000000000000, -0.0003052700000000, 0.0018409400000000 ] - [ 0.0000000000000000, -0.0003722700000000, 0.0006332900000000 ] - [ -0.0002730100000000, -0.0001406900000000, -0.0000243000000000 ] - [ 0.0002730100000000, -0.0001406900000000, -0.0000243000000000 ] - [ 0.0000000000000000, -0.0008520400000000, -0.0006186600000000 ] - [ 0.0000000000000000, -0.0004731000000000, -0.0001786700000000 ] - [ 0.0002464800000000, -0.0000092300000000, -0.0000345700000000 ] - [ -0.0002464800000000, -0.0000092300000000, -0.0000345700000000 ] - [ 0.0000000000000000, 0.0004959100000000, 0.0007850800000000 ] - [ 0.0000000000000000, 0.0003836700000000, 0.0004845700000000 ] - [ -0.0002808700000000, 0.0000576900000000, -0.0001883600000000 ] - [ 0.0002808700000000, 0.0000576900000000, -0.0001883600000000 ] - [ 0.0006674300000000, 0.0002996500000000, -0.0032954400000000 ] - [ -0.0006674300000000, 0.0002996500000000, -0.0032954400000000 ] - [ 0.0000000000000000, -0.0002657400000000, 0.0003906000000000 ] - [ 0.0000000000000000, -0.0004514100000000, 0.0003269800000000 ] - [ -0.0000308600000000, -0.0004913800000000, 0.0002101700000000 ] - [ 0.0000308600000000, -0.0004913800000000, 0.0002101700000000 ] - [ 0.0000000000000000, 0.0064812700000000, 0.0040096000000000 ] - [ 0.0000000000000000, 0.0008810900000000, 0.0000723800000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0001597600000000, 0.0009508600000000, 0.0003990100000000 ] - [ -0.0004566900000000, 0.0003772500000000, 0.0005303300000000 ] - [ 0.0020735400000000, 0.0002148100000000, -0.0139576300000000 ] - [ 0.0003511500000000, -0.0001908300000000, -0.0013712500000000 ] - [ 0.0012013800000000, 0.0003736300000000, 0.0031460600000000 ] - [ -0.0004989000000000, -0.0000611400000000, 0.0013783300000000 ] - [ 0.0000485600000000, -0.0003863900000000, 0.0001604600000000 ] - [ 0.0003359900000000, 0.0000138100000000, -0.0003426500000000 ] - [ -0.0020735400000000, 0.0002148100000000, -0.0139576300000000 ] - [ -0.0003511500000000, -0.0001908300000000, -0.0013712500000000 ] - [ -0.0001597600000000, 0.0009508600000000, 0.0003990100000000 ] - [ 0.0004566900000000, 0.0003772500000000, 0.0005303300000000 ] - [ -0.0000485600000000, -0.0003863900000000, 0.0001604600000000 ] - [ -0.0003359900000000, 0.0000138100000000, -0.0003426500000000 ] - [ -0.0012013800000000, 0.0003736300000000, 0.0031460600000000 ] - [ 0.0004989000000000, -0.0000611400000000, 0.0013783300000000 ] - [ 0.0000233200000000, -0.0003148500000000, -0.0010437700000000 ] - [ -0.0000233200000000, -0.0003148500000000, -0.0010437700000000 ] - [ 0.0000000000000000, -0.0011545100000000, 0.0040839400000000 ] - [ 0.0000000000000000, 0.0003079300000000, 0.0008140400000000 ] - [ -0.0001294900000000, 0.0005255900000000, 0.0006793200000000 ] - [ 0.0001294900000000, 0.0005255900000000, 0.0006793200000000 ] - [ 0.0000000000000000, -0.0012543600000000, 0.0003015800000000 ] - [ 0.0000000000000000, -0.0006559000000000, 0.0004533800000000 ] - [ 0.0000000000000000, -0.0047434000000000, -0.0115790400000000 ] - [ 0.0000000000000000, -0.0011243000000000, -0.0017311500000000 ] - [ 0.0008127900000000, 0.0016359100000000, 0.0016886500000000 ] - [ -0.0008127900000000, 0.0016359100000000, 0.0016886500000000 ] - [ 0.0129123900000000, -0.0013969900000000, -0.0206843800000000 ] - [ 0.0017212700000000, -0.0006038600000000, -0.0010895200000000 ] - [ -0.0001842200000000, 0.0010310400000000, 0.0008419000000000 ] - [ 0.0001458200000000, 0.0007407400000000, 0.0004434000000000 ] - [ 0.0001842200000000, 0.0010310400000000, 0.0008419000000000 ] - [ -0.0001458200000000, 0.0007407400000000, 0.0004434000000000 ] - [ -0.0129123900000000, -0.0013969900000000, -0.0206843800000000 ] - [ -0.0017212700000000, -0.0006038600000000, -0.0010895200000000 ] - [ -0.0017594700000000, -0.0026773000000000, 0.0015912900000000 ] - [ 0.0017594700000000, -0.0026773000000000, 0.0015912900000000 ] - [ 0.0000000000000000, 0.0009056600000000, 0.0004970500000000 ] - [ 0.0000000000000000, 0.0009107100000000, -0.0005745200000000 ] - [ -0.0009831600000000, -0.0022234800000000, 0.0010943200000000 ] - [ -0.0001011100000000, -0.0001654500000000, 0.0003827800000000 ] - [ -0.0002219700000000, -0.0001245400000000, -0.0008614400000000 ] - [ -0.0003296400000000, -0.0001315100000000, -0.0008219600000000 ] - [ 0.0002114000000000, -0.0001943400000000, 0.0008340100000000 ] - [ 0.0003448600000000, -0.0001576200000000, 0.0007751500000000 ] - [ 0.0006698500000000, 0.0005367800000000, 0.0005265900000000 ] - [ 0.0000686000000000, 0.0003428000000000, -0.0000905700000000 ] - [ 0.0002219700000000, -0.0001245400000000, -0.0008614400000000 ] - [ 0.0003296400000000, -0.0001315100000000, -0.0008219600000000 ] - [ 0.0009831600000000, -0.0022234800000000, 0.0010943200000000 ] - [ 0.0001011100000000, -0.0001654500000000, 0.0003827800000000 ] - [ -0.0006698500000000, 0.0005367800000000, 0.0005265900000000 ] - [ -0.0000686000000000, 0.0003428000000000, -0.0000905700000000 ] - [ -0.0002114000000000, -0.0001943400000000, 0.0008340100000000 ] - [ -0.0003448600000000, -0.0001576200000000, 0.0007751500000000 ] - [ 0.0000000000000000, -0.0015710200000000, -0.0129689900000000 ] - [ 0.0000000000000000, -0.0004333000000000, -0.0013549000000000 ] - [ 0.0001093400000000, 0.0006353900000000, 0.0007950600000000 ] - [ -0.0001093400000000, 0.0006353900000000, 0.0007950600000000 ] - [ 0.0000000000000000, 0.0004241200000000, -0.0000747000000000 ] - [ 0.0000000000000000, 0.0004711600000000, -0.0003107400000000 ] - [ -0.0014577900000000, 0.0009813200000000, 0.0011082700000000 ] - [ 0.0014577900000000, 0.0009813200000000, 0.0011082700000000 ] - [ 0.0000377000000000, -0.0010424700000000, -0.0013564500000000 ] - [ -0.0000377000000000, -0.0010424700000000, -0.0013564500000000 ] - [ 0.0000000000000000, 0.0004127800000000, 0.0013654800000000 ] - [ 0.0000000000000000, 0.0007962500000000, 0.0011439000000000 ] - [ 0.0000805900000000, -0.0006317200000000, -0.0004544200000000 ] - [ -0.0000151700000000, -0.0006490200000000, -0.0003106200000000 ] - [ 0.0002741300000000, 0.0002604400000000, 0.0010104500000000 ] - [ -0.0001078800000000, 0.0003887900000000, 0.0005236800000000 ] - [ -0.0002741300000000, 0.0002604400000000, 0.0010104500000000 ] - [ 0.0001078800000000, 0.0003887900000000, 0.0005236800000000 ] - [ -0.0000805900000000, -0.0006317200000000, -0.0004544200000000 ] - [ 0.0000151700000000, -0.0006490200000000, -0.0003106200000000 ] - [ 0.0000000000000000, 0.0003406000000000, 0.0007421800000000 ] - [ 0.0000000000000000, -0.0007300700000000, 0.0008924500000000 ] - [ -0.0000227100000000, 0.0009132600000000, -0.0006336600000000 ] - [ 0.0000227100000000, 0.0009132600000000, -0.0006336600000000 ] - [ 0.0000000000000000, -0.0103768300000000, 0.1094477500000000 ] - [ 0.0000000000000000, -0.0004236600000000, 0.0024642800000000 ] - [ -0.0005768900000000, -0.0003485500000000, -0.0008017500000000 ] - [ 0.0005768900000000, -0.0003485500000000, -0.0008017500000000 ] - [ 0.0000000000000000, 0.0003845600000000, -0.0015616900000000 ] - [ 0.0000000000000000, 0.0005088400000000, -0.0004867500000000 ] - [ 0.0066924800000000, -0.0004508800000000, -0.0041856700000000 ] - [ -0.0066924800000000, -0.0004508800000000, -0.0041856700000000 ] - [ -0.0002528700000000, -0.0003950100000000, 0.0003180300000000 ] - [ 0.0002528700000000, -0.0003950100000000, 0.0003180300000000 ] - [ 0.0000000000000000, 0.0006718700000000, -0.0005552500000000 ] - [ 0.0000000000000000, 0.0001556200000000, -0.0002781800000000 ] - [ -0.0000230600000000, -0.0004661400000000, 0.0008479200000000 ] - [ 0.0000230600000000, -0.0004661400000000, 0.0008479200000000 ] - [ 0.0000000000000000, 0.0024184700000000, -0.0020084900000000 ] - [ 0.0000000000000000, 0.0009022700000000, -0.0005970900000000 ] - [ 0.0000439900000000, 0.0005110100000000, -0.0011787200000000 ] - [ -0.0000439900000000, 0.0005110100000000, -0.0011787200000000 ] - [ 0.0000000000000000, -0.0006028400000000, 0.0001554000000000 ] - [ 0.0000000000000000, -0.0004835400000000, 0.0000092600000000 ] - [ 0.0000000000000000, 0.0244417000000000, -0.0155960100000000 ] - [ 0.0000000000000000, 0.0004108100000000, 0.0006323600000000 ] - [ 0.0011026700000000, -0.0007760400000000, -0.0019454900000000 ] - [ -0.0011026700000000, -0.0007760400000000, -0.0019454900000000 ] - [ -0.0018613200000000, -0.0015797900000000, 0.0031858500000000 ] - [ 0.0018613200000000, -0.0015797900000000, 0.0031858500000000 ] - [ 0.0000000000000000, -0.0035784500000000, -0.0043105000000000 ] - [ 0.0000000000000000, 0.0000666900000000, -0.0002591400000000 ] - [ 0.0002129800000000, 0.0005669500000000, -0.0010071400000000 ] - [ -0.0002129800000000, 0.0005669500000000, -0.0010071400000000 ] - [ 0.0000000000000000, 0.0044060100000000, -0.0052392400000000 ] - [ 0.0000000000000000, -0.0000334800000000, -0.0002310800000000 ] - [ 0.0000000000000000, 0.0002148100000000, 0.0006655400000000 ] - [ 0.0000000000000000, 0.0003745300000000, 0.0001803800000000 ] - [ -0.0017365600000000, 0.0002590100000000, -0.0016830500000000 ] - [ 0.0017365600000000, 0.0002590100000000, -0.0016830500000000 ] - [ 0.0000000000000000, -0.0006455100000000, -0.0022402700000000 ] - [ 0.0000000000000000, -0.0005803000000000, -0.0010341600000000 ] - [ 0.0002715600000000, 0.0010931600000000, 0.0004282500000000 ] - [ -0.0002715600000000, 0.0010931600000000, 0.0004282500000000 ] - [ 0.0000000000000000, 0.0001047900000000, 0.0008927900000000 ] - [ 0.0000000000000000, -0.0002696800000000, 0.0004522000000000 ] - [ -0.0002467600000000, 0.0007507500000000, -0.0002329200000000 ] - [ 0.0002467600000000, 0.0007507500000000, -0.0002329200000000 ] - [ 0.0000000000000000, 0.0002465800000000, -0.0005085400000000 ] - [ 0.0000000000000000, 0.0003576200000000, -0.0002088200000000 ] - [ 0.0002790400000000, -0.0007978400000000, -0.0000837200000000 ] - [ -0.0002790400000000, -0.0007978400000000, -0.0000837200000000 ] - [ -0.0006500900000000, 0.0006535500000000, 0.0028943700000000 ] - [ 0.0006500900000000, 0.0006535500000000, 0.0028943700000000 ] - [ 0.0000000000000000, -0.0007008100000000, 0.0000209500000000 ] - [ 0.0000000000000000, -0.0005138200000000, 0.0000839900000000 ] - [ 0.0000297100000000, -0.0004632700000000, -0.0006116400000000 ] - [ -0.0000297100000000, -0.0004632700000000, -0.0006116400000000 ] - [ 0.0000000000000000, -0.0054867100000000, -0.0035918700000000 ] - [ 0.0000000000000000, 0.0000724800000000, 0.0003321100000000 ]- atom: 89 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0238972300000000, 0.0141073200000000, -0.0033373700000000 ] - [ -0.0024193800000000, 0.0005033500000000, 0.0003354600000000 ] - [ -0.0005603700000000, -0.0003488700000000, -0.0007311100000000 ] - [ 0.0000269900000000, 0.0000648400000000, -0.0005465800000000 ] - [ 0.0001042000000000, -0.0001815500000000, 0.0006290000000000 ] - [ 0.0004317100000000, -0.0001132800000000, 0.0006615800000000 ] - [ 0.0005427300000000, 0.0000619300000000, -0.0004359600000000 ] - [ -0.0000301700000000, 0.0002374400000000, -0.0007670000000000 ] - [ 0.0005659200000000, -0.0003567700000000, -0.0007443600000000 ] - [ -0.0000256200000000, 0.0000546900000000, -0.0005590400000000 ] - [ -0.0018861100000000, -0.0002171600000000, 0.0009584900000000 ] - [ 0.0237081500000000, -0.0128189900000000, 0.0042524500000000 ] - [ -0.0005650000000000, 0.0000539200000000, -0.0005240500000000 ] - [ 0.0000028300000000, 0.0002305000000000, -0.0008549200000000 ] - [ -0.0001039000000000, -0.0001794000000000, 0.0006295700000000 ] - [ -0.0004323400000000, -0.0001116700000000, 0.0006618900000000 ] - [ 0.0100812500000000, -0.0005261000000000, -0.0007087200000000 ] - [ -0.0021267700000000, -0.0005036800000000, -0.0006045100000000 ] - [ 0.0000092200000000, 0.0002906900000000, 0.0006974900000000 ] - [ 0.0000082100000000, 0.0007188900000000, 0.0005099200000000 ] - [ 0.0001452000000000, 0.0005052300000000, -0.0006036700000000 ] - [ -0.0001494100000000, 0.0005051800000000, -0.0006034100000000 ] - [ -0.0000110100000000, -0.0004495200000000, -0.0004559000000000 ] - [ -0.0000146300000000, -0.0005590300000000, 0.0016560400000000 ] - [ -0.0001049400000000, -0.0023230600000000, -0.0014272500000000 ] - [ -0.0001089600000000, 0.0004692700000000, -0.0006291300000000 ] - [ 0.0023609900000000, 0.0009261500000000, 0.0010265300000000 ] - [ -0.0010007100000000, 0.0009207000000000, 0.0010289100000000 ] - [ 0.0002972500000000, -0.0007012900000000, -0.0000954500000000 ] - [ -0.0002806900000000, -0.0005229500000000, 0.0001247700000000 ] - [ -0.0009094600000000, 0.0002588000000000, 0.0004414400000000 ] - [ 0.0007095600000000, 0.0010441500000000, -0.0018549600000000 ] - [ 0.0007213100000000, 0.0002147000000000, 0.0018496000000000 ] - [ -0.0009108300000000, 0.0009945400000000, -0.0004380500000000 ] - [ -0.0002802000000000, -0.0007362600000000, -0.0001251300000000 ] - [ 0.0002948800000000, -0.0005563600000000, 0.0000963600000000 ] - [ 0.0002808100000000, -0.0009220100000000, 0.0010296400000000 ] - [ -0.0002922800000000, -0.0009236600000000, 0.0010282100000000 ] - [ -0.0000521300000000, 0.0006674400000000, -0.0006929600000000 ] - [ -0.0000538300000000, 0.0011773500000000, -0.0013650400000000 ] - [ -0.0005603700000000, 0.0003488700000000, 0.0007311100000000 ] - [ 0.0000269900000000, -0.0000648400000000, 0.0005465800000000 ] - [ 0.0238972300000000, -0.0141073200000000, 0.0033373700000000 ] - [ -0.0024193800000000, -0.0005033500000000, -0.0003354600000000 ] - [ 0.0005427300000000, -0.0000619300000000, 0.0004359600000000 ] - [ -0.0000301700000000, -0.0002374400000000, 0.0007670000000000 ] - [ 0.0001042000000000, 0.0001815500000000, -0.0006290000000000 ] - [ 0.0004317100000000, 0.0001132800000000, -0.0006615800000000 ] - [ -0.0018861100000000, 0.0002171600000000, -0.0009584900000000 ] - [ 0.0237081500000000, 0.0128189900000000, -0.0042524500000000 ] - [ 0.0005659200000000, 0.0003567700000000, 0.0007443600000000 ] - [ -0.0000256200000000, -0.0000546900000000, 0.0005590400000000 ] - [ -0.0001039000000000, 0.0001794000000000, -0.0006295700000000 ] - [ -0.0004323400000000, 0.0001116700000000, -0.0006618900000000 ] - [ -0.0005650000000000, -0.0000539200000000, 0.0005240500000000 ] - [ 0.0000028300000000, -0.0002305000000000, 0.0008549200000000 ] - [ 0.0000092200000000, -0.0002906900000000, -0.0006974900000000 ] - [ 0.0000082100000000, -0.0007188900000000, -0.0005099200000000 ] - [ 0.0100812500000000, 0.0005261000000000, 0.0007087200000000 ] - [ -0.0021267700000000, 0.0005036800000000, 0.0006045100000000 ] - [ -0.0000110100000000, 0.0004495200000000, 0.0004559000000000 ] - [ -0.0000146300000000, 0.0005590300000000, -0.0016560400000000 ] - [ 0.0001452000000000, -0.0005052300000000, 0.0006036700000000 ] - [ -0.0001494100000000, -0.0005051800000000, 0.0006034100000000 ] - [ 0.0023609900000000, -0.0009261500000000, -0.0010265300000000 ] - [ -0.0010007100000000, -0.0009207000000000, -0.0010289100000000 ] - [ -0.0001049400000000, 0.0023230600000000, 0.0014272500000000 ] - [ -0.0001089600000000, -0.0004692700000000, 0.0006291300000000 ] - [ -0.0009094600000000, -0.0002588000000000, -0.0004414400000000 ] - [ 0.0007095600000000, -0.0010441500000000, 0.0018549600000000 ] - [ 0.0002972500000000, 0.0007012900000000, 0.0000954500000000 ] - [ -0.0002806900000000, 0.0005229500000000, -0.0001247700000000 ] - [ -0.0002802000000000, 0.0007362600000000, 0.0001251300000000 ] - [ 0.0002948800000000, 0.0005563600000000, -0.0000963600000000 ] - [ 0.0007213100000000, -0.0002147000000000, -0.0018496000000000 ] - [ -0.0009108300000000, -0.0009945400000000, 0.0004380500000000 ] - [ -0.0000521300000000, -0.0006674400000000, 0.0006929600000000 ] - [ -0.0000538300000000, -0.0011773500000000, 0.0013650400000000 ] - [ 0.0002808100000000, 0.0009220100000000, -0.0010296400000000 ] - [ -0.0002922800000000, 0.0009236600000000, -0.0010282100000000 ] - [ -0.0000144700000000, 0.0001114400000000, 0.0004803300000000 ] - [ -0.0000105400000000, -0.0010643500000000, -0.0000250900000000 ] - [ -0.0146301200000000, 0.0004293300000000, -0.0001750600000000 ] - [ 0.0025358000000000, 0.0004824400000000, -0.0002310500000000 ] - [ 0.0003494400000000, 0.0009457300000000, -0.0008801900000000 ] - [ 0.0003566400000000, 0.0000224400000000, 0.0013322400000000 ] - [ -0.0003858500000000, -0.0004824300000000, -0.0002274900000000 ] - [ 0.0004096000000000, -0.0004810000000000, -0.0002262300000000 ] - [ -0.1082129300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0037102800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000413900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000463800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0146301200000000, -0.0004293300000000, 0.0001750600000000 ] - [ 0.0025358000000000, -0.0004824400000000, 0.0002310500000000 ] - [ -0.0000144700000000, -0.0001114400000000, -0.0004803300000000 ] - [ -0.0000105400000000, 0.0010643500000000, 0.0000250900000000 ] - [ -0.0003858500000000, 0.0004824300000000, 0.0002274900000000 ] - [ 0.0004096000000000, 0.0004810000000000, 0.0002262300000000 ] - [ 0.0003494400000000, -0.0009457300000000, 0.0008801900000000 ] - [ 0.0003566400000000, -0.0000224400000000, -0.0013322400000000 ] - [ 0.0000039500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000069800000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002651100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002675100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0027539100000000, -0.0003846200000000, 0.0001343200000000 ] - [ 0.0011723600000000, -0.0003702300000000, 0.0001393200000000 ] - [ 0.0010816800000000, 0.0022935800000000, -0.0008092700000000 ] - [ 0.0010879400000000, -0.0015448100000000, 0.0005295900000000 ] - [ -0.0005123300000000, 0.0003723800000000, 0.0001399400000000 ] - [ 0.0004298100000000, 0.0003737200000000, 0.0001390700000000 ] - [ -0.0000046600000000, -0.0001329600000000, 0.0000786400000000 ] - [ -0.0000022800000000, -0.0006114300000000, -0.0003559500000000 ] - [ 0.0056628000000000, 0.0021879000000000, 0.0048346100000000 ] - [ 0.0056311900000000, -0.0012048700000000, -0.0051871500000000 ] - [ -0.0004489400000000, -0.0004848800000000, 0.0001991700000000 ] - [ 0.0004607000000000, -0.0004843600000000, 0.0001987200000000 ] - [ -0.0000037800000000, -0.0003895500000000, -0.0002962800000000 ] - [ -0.0000027500000000, -0.0005680500000000, -0.0001005500000000 ] - [ -0.0009412900000000, 0.0004779000000000, 0.0001945300000000 ] - [ 0.0008640600000000, 0.0004789300000000, 0.0002005100000000 ] - [ 0.0010816800000000, -0.0022935800000000, 0.0008092700000000 ] - [ 0.0010879400000000, 0.0015448100000000, -0.0005295900000000 ] - [ -0.0027539100000000, 0.0003846200000000, -0.0001343200000000 ] - [ 0.0011723600000000, 0.0003702300000000, -0.0001393200000000 ] - [ -0.0000046600000000, 0.0001329600000000, -0.0000786400000000 ] - [ -0.0000022800000000, 0.0006114300000000, 0.0003559500000000 ] - [ -0.0005123300000000, -0.0003723800000000, -0.0001399400000000 ] - [ 0.0004298100000000, -0.0003737200000000, -0.0001390700000000 ] - [ -0.0004489400000000, 0.0004848800000000, -0.0001991700000000 ] - [ 0.0004607000000000, 0.0004843600000000, -0.0001987200000000 ] - [ 0.0056628000000000, -0.0021879000000000, -0.0048346100000000 ] - [ 0.0056311900000000, 0.0012048700000000, 0.0051871500000000 ] - [ -0.0009412900000000, -0.0004779000000000, -0.0001945300000000 ] - [ 0.0008640600000000, -0.0004789300000000, -0.0002005100000000 ] - [ -0.0000037800000000, 0.0003895500000000, 0.0002962800000000 ] - [ -0.0000027500000000, 0.0005680500000000, 0.0001005500000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0132661200000000, 0.0251482900000000, -0.0049349700000000 ] - [ 0.0002936600000000, 0.0010137700000000, 0.0007451600000000 ] - [ -0.0004894900000000, -0.0008626500000000, -0.0007849800000000 ] - [ 0.0002106700000000, -0.0016147900000000, -0.0006111400000000 ] - [ 0.0002437800000000, -0.0004097700000000, 0.0006383500000000 ] - [ 0.0003115000000000, -0.0005434500000000, 0.0005847500000000 ] - [ 0.0001964600000000, 0.0005823300000000, -0.0004851300000000 ] - [ 0.0003258000000000, 0.0004499000000000, -0.0005871200000000 ] - [ -0.0002106700000000, -0.0016147900000000, -0.0006111400000000 ] - [ 0.0004894900000000, -0.0008626500000000, -0.0007849800000000 ] - [ -0.0002936600000000, 0.0010137700000000, 0.0007451600000000 ] - [ -0.0132661200000000, 0.0251482900000000, -0.0049349700000000 ] - [ -0.0003258000000000, 0.0004499000000000, -0.0005871200000000 ] - [ -0.0001964600000000, 0.0005823300000000, -0.0004851300000000 ] - [ -0.0003115000000000, -0.0005434500000000, 0.0005847500000000 ] - [ -0.0002437800000000, -0.0004097700000000, 0.0006383500000000 ] - [ 0.0000000000000000, 0.0134488200000000, 0.0053428300000000 ] - [ 0.0000000000000000, 0.0002294500000000, -0.0005480500000000 ] - [ 0.0000153000000000, -0.0004866800000000, 0.0005957200000000 ] - [ -0.0000153000000000, -0.0004866800000000, 0.0005957200000000 ] - [ 0.0000000000000000, -0.0000382100000000, -0.0005518400000000 ] - [ 0.0000000000000000, 0.0002050600000000, -0.0005664700000000 ] - [ 0.0000260200000000, 0.0000511500000000, 0.0004431500000000 ] - [ -0.0000260200000000, 0.0000511500000000, 0.0004431500000000 ] - [ -0.0010020000000000, -0.0012323500000000, -0.0016796800000000 ] - [ 0.0010020000000000, -0.0012323500000000, -0.0016796800000000 ] - [ 0.0000000000000000, -0.0022585500000000, 0.0032701800000000 ] - [ 0.0000000000000000, 0.0008871800000000, 0.0012410000000000 ] - [ -0.0002936000000000, -0.0014748400000000, -0.0004678700000000 ] - [ 0.0001598800000000, -0.0010270600000000, -0.0001593500000000 ] - [ -0.0001879500000000, 0.0012273100000000, 0.0001869300000000 ] - [ 0.0007201900000000, 0.0017033100000000, 0.0021957900000000 ] - [ -0.0007201900000000, 0.0017033100000000, 0.0021957900000000 ] - [ 0.0001879500000000, 0.0012273100000000, 0.0001869300000000 ] - [ -0.0001598800000000, -0.0010270600000000, -0.0001593500000000 ] - [ 0.0002936000000000, -0.0014748400000000, -0.0004678700000000 ] - [ 0.0000000000000000, -0.0009656600000000, 0.0003416800000000 ] - [ 0.0000000000000000, -0.0009072800000000, 0.0009284600000000 ] - [ -0.0002069200000000, 0.0007792500000000, -0.0006241700000000 ] - [ 0.0002069200000000, 0.0007792500000000, -0.0006241700000000 ] - [ -0.0000488600000000, -0.0005707200000000, 0.0005059100000000 ] - [ -0.0007419100000000, -0.0013186700000000, 0.0006785200000000 ] - [ -0.0127622700000000, 0.0238749300000000, -0.0057606300000000 ] - [ -0.0008311600000000, 0.0007187100000000, -0.0005453400000000 ] - [ 0.0003411800000000, 0.0002880400000000, 0.0008056500000000 ] - [ 0.0002099600000000, 0.0001564400000000, 0.0007042100000000 ] - [ 0.0002923700000000, -0.0001181400000000, -0.0006527500000000 ] - [ 0.0002252500000000, -0.0002517100000000, -0.0007056400000000 ] - [ 0.0008311600000000, 0.0007187100000000, -0.0005453400000000 ] - [ 0.0127622700000000, 0.0238749300000000, -0.0057606300000000 ] - [ 0.0007419100000000, -0.0013186700000000, 0.0006785200000000 ] - [ 0.0000488600000000, -0.0005707200000000, 0.0005059100000000 ] - [ -0.0002252500000000, -0.0002517100000000, -0.0007056400000000 ] - [ -0.0002923700000000, -0.0001181400000000, -0.0006527500000000 ] - [ -0.0002099600000000, 0.0001564400000000, 0.0007042100000000 ] - [ -0.0003411800000000, 0.0002880400000000, 0.0008056500000000 ] - [ -0.0000172200000000, -0.0014970200000000, -0.0006131400000000 ] - [ 0.0000172200000000, -0.0014970200000000, -0.0006131400000000 ] - [ 0.0000000000000000, 0.0145316200000000, 0.0066387400000000 ] - [ 0.0000000000000000, 0.0012387800000000, 0.0006594900000000 ] - [ -0.0000248500000000, 0.0010614500000000, -0.0007654000000000 ] - [ 0.0000248500000000, 0.0010614500000000, -0.0007654000000000 ] - [ 0.0000000000000000, -0.0010493900000000, 0.0006532400000000 ] - [ 0.0000000000000000, -0.0008056200000000, 0.0006400500000000 ] - [ 0.0000000000000000, -0.0040969200000000, 0.0011999900000000 ] - [ 0.0000000000000000, -0.0009604400000000, -0.0008159800000000 ] - [ 0.0009951800000000, 0.0006102100000000, 0.0003788200000000 ] - [ -0.0009951800000000, 0.0006102100000000, 0.0003788200000000 ] - [ 0.0001886700000000, -0.0000320300000000, 0.0001873200000000 ] - [ -0.0007205800000000, 0.0004375300000000, 0.0021962400000000 ] - [ 0.0002905900000000, -0.0002149500000000, -0.0004636300000000 ] - [ -0.0001584400000000, 0.0002301500000000, -0.0001585000000000 ] - [ 0.0001584400000000, 0.0002301500000000, -0.0001585000000000 ] - [ -0.0002905900000000, -0.0002149500000000, -0.0004636300000000 ] - [ 0.0007205800000000, 0.0004375300000000, 0.0021962400000000 ] - [ -0.0001886700000000, -0.0000320300000000, 0.0001873200000000 ] - [ 0.0002069000000000, -0.0010685300000000, 0.0014331200000000 ] - [ -0.0002069000000000, -0.0010685300000000, 0.0014331200000000 ] - [ 0.0000000000000000, 0.0008766500000000, -0.0017108200000000 ] - [ 0.0000000000000000, 0.0009370200000000, -0.0011285800000000 ] - [ 0.0006682800000000, 0.0009778900000000, 0.0006240200000000 ] - [ -0.0006682800000000, 0.0009778900000000, 0.0006240200000000 ] - [ 0.0000000000000000, 0.0049474700000000, -0.0246200600000000 ] - [ 0.0000000000000000, -0.0005262000000000, -0.0006391700000000 ] - [ 0.0006647800000000, -0.0002881300000000, -0.0005504700000000 ] - [ -0.0006647800000000, -0.0002881300000000, -0.0005504700000000 ] - [ 0.0000000000000000, 0.0005224600000000, 0.0004506400000000 ] - [ 0.0000000000000000, -0.0000515100000000, -0.0000704100000000 ] - [ 0.0000000000000000, -0.1369830100000000, 0.0388175200000000 ] - [ 0.0000000000000000, -0.0017872500000000, 0.0000412000000000 ] - [ -0.0000008700000000, -0.0007038800000000, -0.0000085900000000 ] - [ 0.0000008700000000, -0.0007038800000000, -0.0000085900000000 ] - [ 0.0000000000000000, 0.0040062300000000, -0.0239665500000000 ] - [ 0.0000000000000000, -0.0014769800000000, -0.0001831400000000 ] - [ -0.0006619600000000, 0.0019314500000000, 0.0001658300000000 ] - [ 0.0006619600000000, 0.0019314500000000, 0.0001658300000000 ] - [ 0.0000000000000000, 0.0014838300000000, 0.0008983300000000 ] - [ 0.0000000000000000, 0.0009115400000000, 0.0003821900000000 ] - [ -0.0006660900000000, -0.0012469300000000, -0.0010056300000000 ] - [ 0.0006660900000000, -0.0012469300000000, -0.0010056300000000 ] - [ 0.0000025000000000, 0.0018368500000000, -0.0000011000000000 ] - [ -0.0000025000000000, 0.0018368500000000, -0.0000011000000000 ] - [ 0.0000000000000000, 0.0007343800000000, 0.0000179400000000 ] - [ 0.0000000000000000, 0.0004547800000000, -0.0000160300000000 ] - [ 0.0000000000000000, 0.0057900100000000, 0.0038088300000000 ] - [ 0.0000000000000000, -0.0002733000000000, 0.0003679000000000 ] - [ 0.0019517400000000, 0.0020395700000000, -0.0009287700000000 ] - [ -0.0019517400000000, 0.0020395700000000, -0.0009287700000000 ] - [ 0.0000000000000000, 0.0005690400000000, -0.0004418300000000 ] - [ 0.0000000000000000, 0.0004094900000000, -0.0000366500000000 ] - [ 0.0002034200000000, -0.0003672000000000, 0.0000838700000000 ] - [ -0.0002034200000000, -0.0003672000000000, 0.0000838700000000 ] - [ 0.0017607500000000, -0.0030187900000000, 0.0012778700000000 ] - [ -0.0017607500000000, -0.0030187900000000, 0.0012778700000000 ] - [ 0.0000000000000000, 0.0012811200000000, -0.0000086200000000 ] - [ 0.0000000000000000, 0.0002603400000000, 0.0001328400000000 ] - [ 0.0000173400000000, 0.0000681500000000, -0.0002652200000000 ] - [ -0.0000173400000000, 0.0000681500000000, -0.0002652200000000 ] - [ 0.0000000000000000, -0.0004417800000000, 0.0007312400000000 ] - [ 0.0000000000000000, 0.0000872200000000, 0.0002499600000000 ] - [ -0.0019464100000000, 0.0012959300000000, -0.0006471200000000 ] - [ 0.0019464100000000, 0.0012959300000000, -0.0006471200000000 ] - [ 0.0000000000000000, 0.0064874300000000, 0.0034988700000000 ] - [ 0.0000000000000000, 0.0004759400000000, 0.0000897500000000 ] - [ -0.0002026000000000, 0.0003812900000000, 0.0003610400000000 ] - [ 0.0002026000000000, 0.0003812900000000, 0.0003610400000000 ] - [ 0.0000000000000000, -0.0001737700000000, -0.0007195600000000 ] - [ 0.0000000000000000, -0.0003349200000000, -0.0003153000000000 ] - [ 0.0000000000000000, 0.0022500500000000, -0.0004039600000000 ] - [ 0.0000000000000000, 0.0012300100000000, -0.0002640700000000 ] - [ -0.0017812400000000, -0.0039725200000000, 0.0016862000000000 ] - [ 0.0017812400000000, -0.0039725200000000, 0.0016862000000000 ] - [ 0.0000000000000000, -0.0013951900000000, 0.0003406400000000 ] - [ 0.0000000000000000, -0.0008693800000000, -0.0001463300000000 ] - [ -0.0000163000000000, 0.0010266200000000, 0.0001328200000000 ] - [ 0.0000163000000000, 0.0010266200000000, 0.0001328200000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0035879100000000, -0.0048294600000000, 0.0140013800000000 ] - [ -0.0004402000000000, 0.0002443500000000, 0.0018924700000000 ] - [ -0.0002898200000000, -0.0001444600000000, -0.0002335700000000 ] - [ -0.0000144300000000, -0.0003753700000000, -0.0000509600000000 ] - [ 0.0002341900000000, -0.0001871900000000, 0.0003706100000000 ] - [ 0.0002652100000000, -0.0001934400000000, 0.0002258700000000 ] - [ 0.0002259900000000, 0.0002144100000000, -0.0021613800000000 ] - [ 0.0001328500000000, 0.0001830800000000, -0.0013864700000000 ] - [ 0.0000144300000000, -0.0003753700000000, -0.0000509600000000 ] - [ 0.0002898200000000, -0.0001444600000000, -0.0002335700000000 ] - [ 0.0004402000000000, 0.0002443500000000, 0.0018924700000000 ] - [ 0.0035879100000000, -0.0048294600000000, 0.0140013800000000 ] - [ -0.0001328500000000, 0.0001830800000000, -0.0013864700000000 ] - [ -0.0002259900000000, 0.0002144100000000, -0.0021613800000000 ] - [ -0.0002652100000000, -0.0001934400000000, 0.0002258700000000 ] - [ -0.0002341900000000, -0.0001871900000000, 0.0003706100000000 ] - [ 0.0000000000000000, 0.0049744100000000, 0.0366556800000000 ] - [ 0.0000000000000000, -0.0003049300000000, -0.0001531800000000 ] - [ 0.0000585500000000, 0.0006310700000000, 0.0007704800000000 ] - [ -0.0000585500000000, 0.0006310700000000, 0.0007704800000000 ] - [ 0.0000000000000000, 0.0005739400000000, -0.0008285300000000 ] - [ 0.0000000000000000, 0.0005349000000000, -0.0007399800000000 ] - [ -0.0005478900000000, -0.0005373800000000, -0.0005301800000000 ] - [ 0.0005478900000000, -0.0005373800000000, -0.0005301800000000 ] - [ -0.0003265000000000, -0.0017911200000000, -0.0006801700000000 ] - [ 0.0003265000000000, -0.0017911200000000, -0.0006801700000000 ] - [ 0.0000000000000000, 0.0032627800000000, 0.0011301800000000 ] - [ 0.0000000000000000, 0.0011066500000000, 0.0012077000000000 ] - [ -0.0001395400000000, -0.0008689300000000, -0.0001218900000000 ] - [ 0.0000957500000000, -0.0007261000000000, -0.0000448300000000 ] - [ 0.0005225300000000, 0.0009354300000000, -0.0001910800000000 ] - [ -0.0022945500000000, 0.0025337200000000, -0.0023994400000000 ] - [ 0.0022945500000000, 0.0025337200000000, -0.0023994400000000 ] - [ -0.0005225300000000, 0.0009354300000000, -0.0001910800000000 ] - [ -0.0000957500000000, -0.0007261000000000, -0.0000448300000000 ] - [ 0.0001395400000000, -0.0008689300000000, -0.0001218900000000 ] - [ 0.0000000000000000, -0.0017940300000000, 0.0004276400000000 ] - [ 0.0000000000000000, -0.0010953400000000, 0.0008452800000000 ] - [ 0.0002895200000000, 0.0013738500000000, -0.0015535900000000 ] - [ -0.0002895200000000, 0.0013738500000000, -0.0015535900000000 ] - [ -0.0002460800000000, 0.0001476400000000, 0.0010572800000000 ] - [ -0.0005211300000000, -0.0000832500000000, 0.0012398500000000 ] - [ 0.0030411700000000, -0.0051239400000000, 0.0126712000000000 ] - [ -0.0000972800000000, -0.0000461000000000, 0.0006007900000000 ] - [ 0.0003093800000000, -0.0000768400000000, -0.0008708800000000 ] - [ 0.0004040600000000, -0.0001082400000000, -0.0000950500000000 ] - [ 0.0003015700000000, 0.0001050400000000, -0.0009208800000000 ] - [ 0.0002710100000000, 0.0000990400000000, -0.0010657100000000 ] - [ 0.0000972800000000, -0.0000461000000000, 0.0006007900000000 ] - [ -0.0030411700000000, -0.0051239400000000, 0.0126712000000000 ] - [ 0.0005211300000000, -0.0000832500000000, 0.0012398500000000 ] - [ 0.0002460800000000, 0.0001476400000000, 0.0010572800000000 ] - [ -0.0002710100000000, 0.0000990400000000, -0.0010657100000000 ] - [ -0.0003015700000000, 0.0001050400000000, -0.0009208800000000 ] - [ -0.0004040600000000, -0.0001082400000000, -0.0000950500000000 ] - [ -0.0003093800000000, -0.0000768400000000, -0.0008708800000000 ] - [ -0.0000586700000000, -0.0003794300000000, -0.0004371500000000 ] - [ 0.0000586700000000, -0.0003794300000000, -0.0004371500000000 ] - [ 0.0000000000000000, 0.0054274300000000, 0.0348957400000000 ] - [ 0.0000000000000000, 0.0007036900000000, 0.0010537200000000 ] - [ 0.0005460600000000, 0.0004741100000000, -0.0017366800000000 ] - [ -0.0005460600000000, 0.0004741100000000, -0.0017366800000000 ] - [ 0.0000000000000000, -0.0004368800000000, 0.0003792200000000 ] - [ 0.0000000000000000, -0.0004760900000000, 0.0004676600000000 ] - [ 0.0000000000000000, 0.0014176700000000, -0.0009173800000000 ] - [ 0.0000000000000000, -0.0007383100000000, -0.0008485900000000 ] - [ 0.0003266700000000, 0.0000560500000000, 0.0013749600000000 ] - [ -0.0003266700000000, 0.0000560500000000, 0.0013749600000000 ] - [ -0.0005235300000000, -0.0003202600000000, -0.0001898800000000 ] - [ 0.0023064300000000, 0.0012868200000000, -0.0024059000000000 ] - [ 0.0001397600000000, 0.0003880800000000, -0.0001228100000000 ] - [ -0.0000954800000000, 0.0005309600000000, -0.0000453800000000 ] - [ 0.0000954800000000, 0.0005309600000000, -0.0000453800000000 ] - [ -0.0001397600000000, 0.0003880800000000, -0.0001228100000000 ] - [ -0.0023064300000000, 0.0012868200000000, -0.0024059000000000 ] - [ 0.0005235300000000, -0.0003202600000000, -0.0001898800000000 ] - [ -0.0002907700000000, -0.0004699200000000, 0.0005044200000000 ] - [ 0.0002907700000000, -0.0004699200000000, 0.0005044200000000 ] - [ 0.0000000000000000, 0.0000543600000000, -0.0016303000000000 ] - [ 0.0000000000000000, 0.0007511400000000, -0.0012126700000000 ] - [ 0.0002734700000000, -0.0000535300000000, -0.0000867100000000 ] - [ -0.0002734700000000, -0.0000535300000000, -0.0000867100000000 ] - [ 0.0000000000000000, -0.0234303700000000, 0.0152273300000000 ] - [ 0.0000000000000000, 0.0000343200000000, -0.0008550500000000 ] - [ -0.0013192100000000, -0.0000473600000000, 0.0021733400000000 ] - [ 0.0013192100000000, -0.0000473600000000, 0.0021733400000000 ] - [ 0.0000000000000000, 0.0000269700000000, 0.0003302600000000 ] - [ 0.0000000000000000, -0.0003478700000000, 0.0000540000000000 ] - [ 0.0000000000000000, 0.0387828900000000, -0.1528791900000000 ] - [ 0.0000000000000000, 0.0000414100000000, -0.0022047300000000 ] - [ 0.0000007200000000, 0.0000082400000000, 0.0020680500000000 ] - [ -0.0000007200000000, 0.0000082400000000, 0.0020680500000000 ] - [ 0.0000000000000000, -0.0246927500000000, 0.0158247100000000 ] - [ 0.0000000000000000, -0.0009255200000000, -0.0004018500000000 ] - [ -0.0002736900000000, 0.0008991400000000, -0.0005422100000000 ] - [ 0.0002736900000000, 0.0008991400000000, -0.0005422100000000 ] - [ 0.0000000000000000, 0.0009872300000000, 0.0007858000000000 ] - [ 0.0000000000000000, 0.0006146200000000, 0.0005078000000000 ] - [ 0.0013245500000000, -0.0010139800000000, 0.0017228700000000 ] - [ -0.0013245500000000, -0.0010139800000000, 0.0017228700000000 ] - [ -0.0000000700000000, -0.0000005800000000, -0.0006560200000000 ] - [ 0.0000000700000000, -0.0000005800000000, -0.0006560200000000 ] - [ 0.0000000000000000, -0.0000183200000000, 0.0006042600000000 ] - [ 0.0000000000000000, 0.0000157700000000, 0.0004105900000000 ] - [ 0.0000000000000000, 0.0029881300000000, -0.0014007600000000 ] - [ 0.0000000000000000, -0.0000809200000000, -0.0003267700000000 ] - [ -0.0008009800000000, -0.0006318400000000, -0.0006819900000000 ] - [ 0.0008009800000000, -0.0006318400000000, -0.0006819900000000 ] - [ 0.0000000000000000, -0.0001864800000000, 0.0012014000000000 ] - [ 0.0000000000000000, 0.0002068300000000, 0.0005489700000000 ] - [ 0.0002147800000000, -0.0000992000000000, 0.0004589300000000 ] - [ -0.0002147800000000, -0.0000992000000000, 0.0004589300000000 ] - [ 0.0054607000000000, 0.0020192800000000, -0.0005228600000000 ] - [ -0.0054607000000000, 0.0020192800000000, -0.0005228600000000 ] - [ 0.0000000000000000, -0.0007288500000000, -0.0000982600000000 ] - [ 0.0000000000000000, -0.0006101500000000, 0.0000367600000000 ] - [ -0.0000629800000000, -0.0005850400000000, 0.0000490200000000 ] - [ 0.0000629800000000, -0.0005850400000000, 0.0000490200000000 ] - [ 0.0000000000000000, 0.0011342500000000, 0.0043419500000000 ] - [ 0.0000000000000000, 0.0006127400000000, 0.0008633800000000 ] - [ 0.0007967700000000, -0.0013737900000000, -0.0004079000000000 ] - [ -0.0007967700000000, -0.0013737900000000, -0.0004079000000000 ] - [ 0.0000000000000000, 0.0037367500000000, -0.0016617100000000 ] - [ 0.0000000000000000, 0.0006637600000000, -0.0006032600000000 ] - [ -0.0002143600000000, 0.0006449900000000, 0.0007366600000000 ] - [ 0.0002143600000000, 0.0006449900000000, 0.0007366600000000 ] - [ 0.0000000000000000, -0.0009339600000000, 0.0009242700000000 ] - [ 0.0000000000000000, -0.0005392200000000, 0.0002710200000000 ] - [ 0.0000000000000000, 0.0002400100000000, -0.0004983200000000 ] - [ 0.0000000000000000, 0.0003584200000000, -0.0003623700000000 ] - [ -0.0054473700000000, 0.0010489700000000, -0.0001070400000000 ] - [ 0.0054473700000000, 0.0010489700000000, -0.0001070400000000 ] - [ 0.0000000000000000, 0.0001747600000000, 0.0039304300000000 ] - [ 0.0000000000000000, -0.0003443000000000, 0.0004649100000000 ] - [ 0.0000631000000000, 0.0003717100000000, 0.0004465700000000 ] - [ -0.0000631000000000, 0.0003717100000000, 0.0004465700000000 ]- atom: 105 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0016218900000000, 0.0006100800000000, 0.0010841400000000 ] - [ -0.0011399400000000, -0.0001322100000000, 0.0003918700000000 ] - [ -0.0016302700000000, -0.0008171300000000, -0.0002580900000000 ] - [ 0.0017302900000000, -0.0002293600000000, -0.0007813800000000 ] - [ -0.0000708400000000, -0.0002799600000000, 0.0005076000000000 ] - [ 0.0006679700000000, 0.0000105900000000, 0.0009695900000000 ] - [ 0.0004493900000000, 0.0002559800000000, -0.0007074400000000 ] - [ 0.0001042500000000, 0.0000348500000000, -0.0005741400000000 ] - [ 0.0023265900000000, 0.0000175200000000, -0.0005415900000000 ] - [ -0.0010929200000000, 0.0005183800000000, -0.0010338900000000 ] - [ -0.0006056500000000, 0.0004296600000000, 0.0008988800000000 ] - [ 0.0021372300000000, -0.0003391300000000, 0.0001808200000000 ] - [ -0.0004297700000000, 0.0002595500000000, -0.0007225200000000 ] - [ -0.0000878800000000, 0.0000380600000000, -0.0005881100000000 ] - [ 0.0001351400000000, -0.0003002800000000, 0.0003188700000000 ] - [ -0.0006060900000000, -0.0000119100000000, 0.0007786300000000 ] - [ 0.0015392000000000, -0.0005126600000000, -0.0006041500000000 ] - [ -0.0008939500000000, -0.0005011200000000, -0.0006052200000000 ] - [ -0.0001114900000000, 0.0000218500000000, 0.0011028500000000 ] - [ -0.0001129400000000, 0.0009840100000000, 0.0001006500000000 ] - [ 0.0001757100000000, 0.0005048600000000, -0.0006047000000000 ] - [ -0.0001549800000000, 0.0005044500000000, -0.0006043400000000 ] - [ -0.0000169000000000, -0.0001778900000000, 0.0001265200000000 ] - [ -0.0000192300000000, -0.0008273600000000, 0.0010723300000000 ] - [ 0.0004674400000000, -0.0004939000000000, -0.0011887400000000 ] - [ 0.0002498800000000, -0.0013350900000000, -0.0008372900000000 ] - [ 0.0016750000000000, 0.0009262000000000, 0.0010204900000000 ] - [ -0.0009532000000000, 0.0009247300000000, 0.0010285700000000 ] - [ 0.0017554800000000, -0.0014973900000000, -0.0012992900000000 ] - [ -0.0012477000000000, -0.0001217600000000, 0.0006203800000000 ] - [ -0.0003261300000000, 0.0007877600000000, 0.0001738700000000 ] - [ 0.0003153900000000, 0.0005024800000000, -0.0003233800000000 ] - [ 0.0003187600000000, 0.0007551100000000, 0.0003172200000000 ] - [ -0.0003272300000000, 0.0004712700000000, -0.0001762500000000 ] - [ -0.0012509500000000, -0.0011377000000000, -0.0006295500000000 ] - [ 0.0017247200000000, 0.0002607700000000, 0.0013060500000000 ] - [ 0.0018295500000000, -0.0009212500000000, 0.0010349500000000 ] - [ -0.0007202300000000, -0.0009229100000000, 0.0010259700000000 ] - [ 0.0000115600000000, 0.0009332700000000, -0.0008405500000000 ] - [ 0.0000100100000000, 0.0009164500000000, -0.0012218200000000 ] - [ -0.0005281600000000, -0.0001007500000000, 0.0007532600000000 ] - [ -0.0000365900000000, 0.0006115200000000, 0.0004381300000000 ] - [ 0.0002369200000000, 0.0001874600000000, -0.0006276000000000 ] - [ -0.0007473400000000, -0.0003856300000000, -0.0007551000000000 ] - [ 0.0004148000000000, -0.0000807300000000, 0.0005713100000000 ] - [ 0.0001470700000000, -0.0002204300000000, 0.0007228300000000 ] - [ 0.0001227400000000, 0.0001060300000000, -0.0006967100000000 ] - [ 0.0004291300000000, 0.0001946100000000, -0.0006033000000000 ] - [ -0.0002120500000000, 0.0000960900000000, -0.0005397900000000 ] - [ 0.0007672200000000, -0.0004829400000000, -0.0006696100000000 ] - [ 0.0005001700000000, -0.0003184000000000, 0.0008502600000000 ] - [ 0.0000062000000000, 0.0003930300000000, 0.0005356900000000 ] - [ -0.0001055000000000, 0.0000990700000000, -0.0006930800000000 ] - [ -0.0004125700000000, 0.0001872000000000, -0.0005997500000000 ] - [ -0.0003871200000000, -0.0000703100000000, 0.0005646200000000 ] - [ -0.0001217900000000, -0.0002112100000000, 0.0007169700000000 ] - [ -0.0003624800000000, -0.0015494500000000, -0.0008652900000000 ] - [ -0.0003643500000000, 0.0005403800000000, -0.0003450000000000 ] - [ 0.0006826900000000, 0.0005020700000000, 0.0005992500000000 ] - [ -0.0003456200000000, 0.0005048500000000, 0.0006016900000000 ] - [ 0.0000068300000000, 0.0005849500000000, -0.0005414400000000 ] - [ 0.0000058300000000, 0.0004242600000000, -0.0006676800000000 ] - [ 0.0005596300000000, -0.0005031200000000, 0.0006004700000000 ] - [ -0.0003296800000000, -0.0005040100000000, 0.0005995800000000 ] - [ 0.0002263700000000, -0.0009240100000000, -0.0010313700000000 ] - [ -0.0002130900000000, -0.0009237300000000, -0.0010314400000000 ] - [ 0.0000049600000000, 0.0009565000000000, 0.0010825400000000 ] - [ 0.0000043500000000, 0.0008924600000000, 0.0009724600000000 ] - [ -0.0003349200000000, -0.0003956000000000, -0.0001405100000000 ] - [ 0.0003383700000000, -0.0008361800000000, 0.0001185900000000 ] - [ 0.0001713400000000, 0.0005904200000000, 0.0000731600000000 ] - [ -0.0001476000000000, 0.0006778600000000, -0.0000704200000000 ] - [ -0.0001474000000000, 0.0005792000000000, 0.0000669300000000 ] - [ 0.0001702000000000, 0.0006671500000000, -0.0000770000000000 ] - [ 0.0003424600000000, -0.0004204200000000, -0.0001216800000000 ] - [ -0.0003352700000000, -0.0008583400000000, 0.0001350000000000 ] - [ 0.0000130800000000, -0.0009709100000000, 0.0009665300000000 ] - [ 0.0000122900000000, -0.0008764600000000, 0.0010885500000000 ] - [ 0.0001016600000000, 0.0009245000000000, -0.0010317800000000 ] - [ -0.0000839900000000, 0.0009247400000000, -0.0010316900000000 ] - [ 0.0055156600000000, 0.0052142400000000, 0.0021084800000000 ] - [ 0.0054770200000000, -0.0060958200000000, -0.0016340000000000 ] - [ -0.0024077400000000, 0.0004813700000000, -0.0002197400000000 ] - [ 0.0011345900000000, 0.0004746100000000, -0.0002321800000000 ] - [ 0.0000358600000000, 0.0002555800000000, 0.0000097200000000 ] - [ 0.0000396400000000, 0.0007030700000000, 0.0004394700000000 ] - [ -0.0035043500000000, -0.0004891600000000, -0.0002379000000000 ] - [ 0.0013698800000000, -0.0004776000000000, -0.0002261600000000 ] - [ -0.0027429600000000, 0.0000156200000000, 0.0000061400000000 ] - [ 0.0011813900000000, -0.0000014100000000, -0.0000030600000000 ] - [ 0.0000048400000000, -0.0002027100000000, 0.0002127100000000 ] - [ 0.0000078400000000, 0.0002034300000000, -0.0002160100000000 ] - [ -0.0007874600000000, -0.0004677300000000, 0.0002253500000000 ] - [ 0.0007871100000000, -0.0004759700000000, 0.0002263600000000 ] - [ 0.0000518100000000, 0.0007854900000000, -0.0004771800000000 ] - [ 0.0000536600000000, 0.0001679600000000, 0.0000159200000000 ] - [ -0.0002525300000000, 0.0004801500000000, 0.0002247600000000 ] - [ 0.0002683200000000, 0.0004803800000000, 0.0002244600000000 ] - [ 0.0000026800000000, -0.0007947300000000, 0.0000515800000000 ] - [ 0.0000062200000000, -0.0001636300000000, -0.0005082400000000 ] - [ 0.0010919100000000, 0.0019526100000000, -0.0008019000000000 ] - [ 0.0010960300000000, -0.0019450900000000, 0.0007954900000000 ] - [ -0.0005030700000000, 0.0000000100000000, -0.0000023200000000 ] - [ 0.0004386600000000, 0.0000012600000000, -0.0000015200000000 ] - [ -0.0244400100000000, -0.0005873500000000, 0.0004045700000000 ] - [ 0.0024988300000000, -0.0003736500000000, 0.0001391400000000 ] - [ 0.0016062100000000, 0.0002478600000000, -0.0026100300000000 ] - [ 0.0016054300000000, 0.0004991300000000, 0.0023018900000000 ] - [ -0.0003984800000000, 0.0003742100000000, 0.0001395400000000 ] - [ 0.0004135900000000, 0.0003743600000000, 0.0001395300000000 ] - [ 0.0004038300000000, -0.0004704400000000, 0.0011609200000000 ] - [ 0.0004086500000000, -0.0002764000000000, -0.0014413100000000 ] - [ 0.0015250900000000, -0.0025424700000000, 0.0001940100000000 ] - [ 0.0015245500000000, 0.0034837200000000, -0.0005887200000000 ] - [ -0.0012369500000000, -0.0004874700000000, 0.0001964500000000 ] - [ 0.0006671400000000, -0.0004827700000000, 0.0001932100000000 ] - [ 0.0000132800000000, -0.0003405700000000, -0.0002538100000000 ] - [ 0.0000146900000000, -0.0006154200000000, -0.0001430300000000 ] - [ -0.0008025700000000, 0.0004836800000000, 0.0001887600000000 ] - [ 0.0005574600000000, 0.0004786700000000, 0.0001951300000000 ] - [ 0.0000162600000000, -0.0003836700000000, 0.0001450400000000 ] - [ 0.0000182500000000, -0.0003625400000000, 0.0001343500000000 ] - [ -0.0002577400000000, 0.0003754400000000, -0.0001435800000000 ] - [ 0.0002526300000000, 0.0003748200000000, -0.0001441400000000 ] - [ 0.0000085000000000, 0.0003761700000000, 0.0001390100000000 ] - [ 0.0000091200000000, 0.0003733700000000, 0.0001401100000000 ] - [ -0.0001872600000000, -0.0003728000000000, -0.0001437700000000 ] - [ 0.0002098600000000, -0.0003732200000000, -0.0001433100000000 ] - [ -0.0014929300000000, 0.0004815100000000, -0.0001983100000000 ] - [ 0.0007274100000000, 0.0004866600000000, -0.0001982000000000 ] - [ 0.0001156900000000, -0.0008393900000000, -0.0000781200000000 ] - [ 0.0001194700000000, -0.0001276200000000, 0.0004665400000000 ] - [ -0.0002050100000000, -0.0004778500000000, -0.0001980300000000 ] - [ 0.0002169300000000, -0.0004785400000000, -0.0001982200000000 ] - [ 0.0001123200000000, 0.0008747200000000, 0.0005196600000000 ] - [ 0.0001147300000000, 0.0000853400000000, -0.0001309300000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004407100000000, 0.0008485800000000, -0.0005032700000000 ] - [ -0.0005228900000000, 0.0004732500000000, 0.0003623300000000 ] - [ -0.0013690500000000, 0.0001838800000000, -0.0004787800000000 ] - [ -0.0009139900000000, 0.0025390900000000, -0.0010860400000000 ] - [ 0.0002211700000000, 0.0000288900000000, 0.0005393900000000 ] - [ 0.0003969600000000, 0.0000670300000000, 0.0000905100000000 ] - [ 0.0004210100000000, 0.0004162900000000, -0.0004971700000000 ] - [ 0.0001978900000000, 0.0003555700000000, -0.0006193200000000 ] - [ 0.0009139900000000, 0.0025390900000000, -0.0010860400000000 ] - [ 0.0013690500000000, 0.0001838800000000, -0.0004787800000000 ] - [ 0.0005228900000000, 0.0004732500000000, 0.0003623300000000 ] - [ -0.0004407100000000, 0.0008485800000000, -0.0005032700000000 ] - [ -0.0001978900000000, 0.0003555700000000, -0.0006193200000000 ] - [ -0.0004210100000000, 0.0004162900000000, -0.0004971700000000 ] - [ -0.0003969600000000, 0.0000670300000000, 0.0000905100000000 ] - [ -0.0002211700000000, 0.0000288900000000, 0.0005393900000000 ] - [ 0.0000000000000000, -0.0013199900000000, -0.0001138700000000 ] - [ 0.0000000000000000, -0.0005164500000000, -0.0005828800000000 ] - [ -0.0004171500000000, 0.0003850000000000, 0.0011463900000000 ] - [ 0.0004171500000000, 0.0003850000000000, 0.0011463900000000 ] - [ 0.0000000000000000, 0.0004956800000000, -0.0003412600000000 ] - [ 0.0000000000000000, 0.0005328200000000, -0.0005680000000000 ] - [ 0.0002689500000000, -0.0005216600000000, 0.0011051200000000 ] - [ -0.0002689500000000, -0.0005216600000000, 0.0011051200000000 ] - [ -0.0000896100000000, 0.0017324600000000, -0.0009405600000000 ] - [ 0.0000896100000000, 0.0017324600000000, -0.0009405600000000 ] - [ 0.0000000000000000, 0.0031207600000000, 0.0005956300000000 ] - [ 0.0000000000000000, 0.0013234900000000, 0.0010225600000000 ] - [ -0.0007122800000000, 0.0001625200000000, -0.0009722900000000 ] - [ 0.0005014000000000, -0.0003360300000000, -0.0002212500000000 ] - [ 0.0000670800000000, 0.0008549100000000, -0.0000933200000000 ] - [ -0.0002600400000000, 0.0009337700000000, -0.0006076900000000 ] - [ 0.0002600400000000, 0.0009337700000000, -0.0006076900000000 ] - [ -0.0000670800000000, 0.0008549100000000, -0.0000933200000000 ] - [ -0.0005014000000000, -0.0003360300000000, -0.0002212500000000 ] - [ 0.0007122800000000, 0.0001625200000000, -0.0009722900000000 ] - [ 0.0000000000000000, 0.0013112700000000, 0.0007005400000000 ] - [ 0.0000000000000000, -0.0005029800000000, 0.0009880100000000 ] - [ 0.0000329300000000, 0.0012827100000000, -0.0010842200000000 ] - [ -0.0000329300000000, 0.0012827100000000, -0.0010842200000000 ] - [ -0.0005269100000000, -0.0002602000000000, 0.0008134600000000 ] - [ 0.0000074900000000, -0.0007379600000000, 0.0011526600000000 ] - [ 0.0003064300000000, -0.0016173800000000, -0.0009745100000000 ] - [ -0.0004323000000000, -0.0005932500000000, -0.0007298500000000 ] - [ 0.0003914800000000, -0.0004771000000000, 0.0008108800000000 ] - [ 0.0001592100000000, -0.0003371200000000, 0.0007365000000000 ] - [ 0.0002194000000000, -0.0000148500000000, -0.0007439200000000 ] - [ 0.0003164500000000, -0.0001167000000000, -0.0007759600000000 ] - [ 0.0004323000000000, -0.0005932500000000, -0.0007298500000000 ] - [ -0.0003064300000000, -0.0016173800000000, -0.0009745100000000 ] - [ -0.0000074900000000, -0.0007379600000000, 0.0011526600000000 ] - [ 0.0005269100000000, -0.0002602000000000, 0.0008134600000000 ] - [ -0.0003164500000000, -0.0001167000000000, -0.0007759600000000 ] - [ -0.0002194000000000, -0.0000148500000000, -0.0007439200000000 ] - [ -0.0001592100000000, -0.0003371200000000, 0.0007365000000000 ] - [ -0.0003914800000000, -0.0004771000000000, 0.0008108800000000 ] - [ -0.0008774000000000, -0.0014076100000000, -0.0008478500000000 ] - [ 0.0008774000000000, -0.0014076100000000, -0.0008478500000000 ] - [ 0.0000000000000000, -0.0004445800000000, -0.0004169300000000 ] - [ 0.0000000000000000, 0.0004550800000000, 0.0004688900000000 ] - [ 0.0000849400000000, 0.0004716400000000, -0.0007345300000000 ] - [ -0.0000849400000000, 0.0004716400000000, -0.0007345300000000 ] - [ 0.0000000000000000, -0.0010516800000000, -0.0002785800000000 ] - [ 0.0000000000000000, -0.0005705200000000, 0.0004512000000000 ] - [ 0.0000000000000000, -0.0024550500000000, -0.0010030700000000 ] - [ 0.0000000000000000, -0.0014161300000000, -0.0010293100000000 ] - [ -0.0000237800000000, 0.0003623900000000, 0.0010462300000000 ] - [ 0.0000237800000000, 0.0003623900000000, 0.0010462300000000 ] - [ 0.0001678300000000, -0.0010247400000000, 0.0001662900000000 ] - [ -0.0003977600000000, -0.0014695600000000, 0.0004715300000000 ] - [ -0.0000811500000000, 0.0002746800000000, 0.0001747500000000 ] - [ 0.0000754800000000, 0.0004330000000000, 0.0000828400000000 ] - [ -0.0000754800000000, 0.0004330000000000, 0.0000828400000000 ] - [ 0.0000811500000000, 0.0002746800000000, 0.0001747500000000 ] - [ 0.0003977600000000, -0.0014695600000000, 0.0004715300000000 ] - [ -0.0001678300000000, -0.0010247400000000, 0.0001662900000000 ] - [ 0.0000307100000000, -0.0014640100000000, 0.0010814200000000 ] - [ -0.0000307100000000, -0.0014640100000000, 0.0010814200000000 ] - [ 0.0000000000000000, 0.0005456300000000, -0.0010294300000000 ] - [ 0.0000000000000000, 0.0006898100000000, -0.0010314600000000 ] - [ 0.0053745300000000, -0.0006745400000000, 0.0014505000000000 ] - [ -0.0053745300000000, -0.0006745400000000, 0.0014505000000000 ] - [ 0.0000000000000000, -0.0002458900000000, 0.0036984200000000 ] - [ 0.0000000000000000, 0.0000364800000000, 0.0000747000000000 ] - [ -0.0002610800000000, 0.0001162800000000, 0.0004248200000000 ] - [ 0.0002610800000000, 0.0001162800000000, 0.0004248200000000 ] - [ 0.0000000000000000, -0.0005534500000000, 0.0045730800000000 ] - [ 0.0000000000000000, -0.0008292700000000, 0.0001074800000000 ] - [ 0.0000000000000000, 0.0061203400000000, 0.0033387000000000 ] - [ 0.0000000000000000, 0.0001161600000000, 0.0002911400000000 ] - [ -0.0002387800000000, 0.0000217400000000, -0.0002720300000000 ] - [ 0.0002387800000000, 0.0000217400000000, -0.0002720300000000 ] - [ 0.0000000000000000, 0.0029175900000000, -0.0002447900000000 ] - [ 0.0000000000000000, 0.0002394900000000, 0.0001295800000000 ] - [ 0.0002993600000000, 0.0012318300000000, -0.0006107000000000 ] - [ -0.0002993600000000, 0.0012318300000000, -0.0006107000000000 ] - [ 0.0000000000000000, 0.0010330600000000, 0.0001035700000000 ] - [ 0.0000000000000000, 0.0007835000000000, 0.0002155700000000 ] - [ -0.0003273400000000, 0.0002232300000000, -0.0006543400000000 ] - [ 0.0003273400000000, 0.0002232300000000, -0.0006543400000000 ] - [ 0.0019241600000000, 0.0016810500000000, -0.0010036600000000 ] - [ -0.0019241600000000, 0.0016810500000000, -0.0010036600000000 ] - [ 0.0000000000000000, 0.0002081000000000, 0.0005601500000000 ] - [ 0.0000000000000000, 0.0000493300000000, 0.0001660100000000 ] - [ 0.0000000000000000, -0.0259854800000000, -0.0021354800000000 ] - [ 0.0000000000000000, -0.0011500300000000, 0.0000805400000000 ] - [ -0.0001288100000000, -0.0013220900000000, -0.0003063900000000 ] - [ 0.0001288100000000, -0.0013220900000000, -0.0003063900000000 ] - [ 0.0000000000000000, -0.0001457500000000, 0.0002715900000000 ] - [ 0.0000000000000000, 0.0001023700000000, 0.0002015900000000 ] - [ 0.0000944500000000, -0.0012138200000000, 0.0000220500000000 ] - [ -0.0000944500000000, -0.0012138200000000, 0.0000220500000000 ] - [ -0.0025915700000000, 0.0015274100000000, -0.0007167000000000 ] - [ 0.0025915700000000, 0.0015274100000000, -0.0007167000000000 ] - [ 0.0000000000000000, 0.0002679600000000, -0.0018709800000000 ] - [ 0.0000000000000000, -0.0005739200000000, -0.0000103400000000 ] - [ 0.0001237600000000, -0.0005780700000000, -0.0002499400000000 ] - [ -0.0001237600000000, -0.0005780700000000, -0.0002499400000000 ] - [ 0.0000000000000000, 0.0008025200000000, -0.0016921000000000 ] - [ 0.0000000000000000, 0.0003054800000000, -0.0000409000000000 ] - [ 0.0000118100000000, 0.0005649100000000, 0.0001626800000000 ] - [ -0.0000118100000000, 0.0005649100000000, 0.0001626800000000 ] - [ 0.0000000000000000, 0.0013220000000000, -0.0000812500000000 ] - [ 0.0000000000000000, 0.0008477200000000, -0.0001072700000000 ] - [ 0.0000016000000000, 0.0007366300000000, 0.0001288500000000 ] - [ -0.0000016000000000, 0.0007366300000000, 0.0001288500000000 ] - [ 0.0000000000000000, 0.0003261100000000, -0.0001634200000000 ] - [ 0.0000000000000000, 0.0000160400000000, -0.0001803200000000 ] - [ 0.0000000000000000, 0.0040596500000000, 0.0001539300000000 ] - [ 0.0000000000000000, 0.0008328500000000, -0.0001775100000000 ] - [ -0.0004835100000000, 0.0000227100000000, 0.0006388400000000 ] - [ 0.0004835100000000, 0.0000227100000000, 0.0006388400000000 ] - [ 0.0000000000000000, -0.0002452000000000, -0.0000574900000000 ] - [ 0.0000000000000000, -0.0003747800000000, -0.0001321200000000 ] - [ 0.0003684200000000, 0.0009951600000000, 0.0006641900000000 ] - [ -0.0003684200000000, 0.0009951600000000, 0.0006641900000000 ]- atom: 105 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009558200000000, -0.0005815000000000, 0.0017391000000000 ] - [ -0.0000129400000000, -0.0001530800000000, 0.0009182500000000 ] - [ 0.0008272800000000, -0.0004435200000000, -0.0008234400000000 ] - [ 0.0002760700000000, -0.0026752500000000, -0.0002712900000000 ] - [ 0.0003150600000000, -0.0002905400000000, 0.0007421300000000 ] - [ 0.0001388800000000, -0.0003254700000000, 0.0011911300000000 ] - [ 0.0001151200000000, -0.0000963900000000, -0.0008026200000000 ] - [ 0.0003381000000000, -0.0000351800000000, -0.0006809300000000 ] - [ -0.0002760700000000, -0.0026752500000000, -0.0002712900000000 ] - [ -0.0008272800000000, -0.0004435200000000, -0.0008234400000000 ] - [ 0.0000129400000000, -0.0001530800000000, 0.0009182500000000 ] - [ 0.0009558200000000, -0.0005815000000000, 0.0017391000000000 ] - [ -0.0003381000000000, -0.0000351800000000, -0.0006809300000000 ] - [ -0.0001151200000000, -0.0000963900000000, -0.0008026200000000 ] - [ -0.0001388800000000, -0.0003254700000000, 0.0011911300000000 ] - [ -0.0003150600000000, -0.0002905400000000, 0.0007421300000000 ] - [ 0.0000000000000000, 0.0001765300000000, -0.0010929900000000 ] - [ 0.0000000000000000, -0.0004646000000000, -0.0006352800000000 ] - [ 0.0004139800000000, 0.0006535200000000, 0.0000542500000000 ] - [ -0.0004139800000000, 0.0006535200000000, 0.0000542500000000 ] - [ 0.0000000000000000, 0.0005448600000000, -0.0008724600000000 ] - [ 0.0000000000000000, 0.0005075900000000, -0.0006482500000000 ] - [ -0.0002690200000000, -0.0004618900000000, 0.0000906900000000 ] - [ 0.0002690200000000, -0.0004618900000000, 0.0000906900000000 ] - [ 0.0000987800000000, -0.0035375100000000, -0.0011316400000000 ] - [ -0.0000987800000000, -0.0035375100000000, -0.0011316400000000 ] - [ 0.0000000000000000, -0.0012471000000000, 0.0014438000000000 ] - [ 0.0000000000000000, 0.0005491900000000, 0.0010244200000000 ] - [ 0.0007377200000000, -0.0013434800000000, 0.0009872400000000 ] - [ -0.0005012400000000, -0.0008889900000000, 0.0002109800000000 ] - [ -0.0000669600000000, 0.0004310200000000, 0.0000838300000000 ] - [ 0.0002604500000000, 0.0003514800000000, 0.0005987200000000 ] - [ -0.0002604500000000, 0.0003514800000000, 0.0005987200000000 ] - [ 0.0000669600000000, 0.0004310200000000, 0.0000838300000000 ] - [ 0.0005012400000000, -0.0008889900000000, 0.0002109800000000 ] - [ -0.0007377200000000, -0.0013434800000000, 0.0009872400000000 ] - [ 0.0000000000000000, -0.0031174900000000, 0.0013730800000000 ] - [ 0.0000000000000000, -0.0013127400000000, 0.0010598300000000 ] - [ -0.0000330800000000, 0.0005901100000000, -0.0009825900000000 ] - [ 0.0000330800000000, 0.0005901100000000, -0.0009825900000000 ] - [ -0.0000114600000000, 0.0005832900000000, 0.0004679700000000 ] - [ -0.0005401700000000, 0.0010579400000000, 0.0001320100000000 ] - [ -0.0008453200000000, 0.0013564800000000, -0.0003256500000000 ] - [ -0.0001033400000000, 0.0003284600000000, -0.0005715200000000 ] - [ 0.0001445000000000, 0.0002122300000000, 0.0004699000000000 ] - [ 0.0003771100000000, 0.0000726800000000, 0.0005444800000000 ] - [ 0.0003162900000000, 0.0003383200000000, -0.0005570500000000 ] - [ 0.0002199300000000, 0.0004401800000000, -0.0005251100000000 ] - [ 0.0001033400000000, 0.0003284600000000, -0.0005715200000000 ] - [ 0.0008453200000000, 0.0013564800000000, -0.0003256500000000 ] - [ 0.0005401700000000, 0.0010579400000000, 0.0001320100000000 ] - [ 0.0000114600000000, 0.0005832900000000, 0.0004679700000000 ] - [ -0.0002199300000000, 0.0004401800000000, -0.0005251100000000 ] - [ -0.0003162900000000, 0.0003383200000000, -0.0005570500000000 ] - [ -0.0003771100000000, 0.0000726800000000, 0.0005444800000000 ] - [ -0.0001445000000000, 0.0002122300000000, 0.0004699000000000 ] - [ 0.0008704300000000, 0.0004267100000000, -0.0003724000000000 ] - [ -0.0008704300000000, 0.0004267100000000, -0.0003724000000000 ] - [ 0.0000000000000000, 0.0014818600000000, 0.0016169900000000 ] - [ 0.0000000000000000, 0.0005816700000000, 0.0007287700000000 ] - [ -0.0000851900000000, 0.0005664500000000, -0.0004810300000000 ] - [ 0.0000851900000000, 0.0005664500000000, -0.0004810300000000 ] - [ 0.0000000000000000, 0.0000731500000000, 0.0014690400000000 ] - [ 0.0000000000000000, -0.0004084000000000, 0.0007451500000000 ] - [ 0.0000000000000000, 0.0006355200000000, -0.0010650000000000 ] - [ 0.0000000000000000, -0.0003980000000000, -0.0010382300000000 ] - [ 0.0000227900000000, 0.0015120600000000, 0.0010016900000000 ] - [ -0.0000227900000000, 0.0015120600000000, 0.0010016900000000 ] - [ -0.0001685300000000, -0.0002051600000000, -0.0001771900000000 ] - [ 0.0004001400000000, 0.0002410300000000, -0.0004845000000000 ] - [ 0.0000806100000000, 0.0010129100000000, -0.0001828800000000 ] - [ -0.0000744800000000, 0.0008554400000000, -0.0000920300000000 ] - [ 0.0000744800000000, 0.0008554400000000, -0.0000920300000000 ] - [ -0.0000806100000000, 0.0010129100000000, -0.0001828800000000 ] - [ -0.0004001400000000, 0.0002410300000000, -0.0004845000000000 ] - [ 0.0001685300000000, -0.0002051600000000, -0.0001771900000000 ] - [ -0.0000315200000000, -0.0003500300000000, 0.0009652700000000 ] - [ 0.0000315200000000, -0.0003500300000000, 0.0009652700000000 ] - [ 0.0000000000000000, 0.0013288400000000, -0.0010376200000000 ] - [ 0.0000000000000000, 0.0011847000000000, -0.0010359400000000 ] - [ -0.0053432900000000, -0.0002802100000000, -0.0009877000000000 ] - [ 0.0053432900000000, -0.0002802100000000, -0.0009877000000000 ] - [ 0.0000000000000000, 0.0012391500000000, -0.0041726500000000 ] - [ 0.0000000000000000, 0.0009497100000000, -0.0005412700000000 ] - [ 0.0002606100000000, 0.0008783800000000, 0.0000175700000000 ] - [ -0.0002606100000000, 0.0008783800000000, 0.0000175700000000 ] - [ 0.0000000000000000, -0.0004105900000000, -0.0050176800000000 ] - [ 0.0000000000000000, -0.0001086600000000, -0.0005720800000000 ] - [ 0.0000000000000000, -0.0061414400000000, -0.0033862700000000 ] - [ 0.0000000000000000, -0.0000838000000000, -0.0003010300000000 ] - [ 0.0002385300000000, 0.0000104900000000, 0.0002613500000000 ] - [ -0.0002385300000000, 0.0000104900000000, 0.0002613500000000 ] - [ 0.0000000000000000, -0.0038476800000000, 0.0006955200000000 ] - [ 0.0000000000000000, -0.0011629000000000, 0.0003181200000000 ] - [ -0.0002961700000000, -0.0002464200000000, 0.0001402700000000 ] - [ 0.0002961700000000, -0.0002464200000000, 0.0001402700000000 ] - [ 0.0000000000000000, -0.0000406700000000, 0.0003377800000000 ] - [ 0.0000000000000000, 0.0002084400000000, 0.0002271100000000 ] - [ 0.0003286700000000, -0.0011547600000000, 0.0001924800000000 ] - [ -0.0003286700000000, -0.0011547600000000, 0.0001924800000000 ] - [ -0.0019084700000000, -0.0016454900000000, 0.0009883500000000 ] - [ 0.0019084700000000, -0.0016454900000000, 0.0009883500000000 ] - [ 0.0000000000000000, -0.0001832100000000, -0.0005697300000000 ] - [ 0.0000000000000000, -0.0000222400000000, -0.0001766100000000 ] - [ 0.0000000000000000, 0.0212261000000000, 0.0039017800000000 ] - [ 0.0000000000000000, 0.0004317100000000, 0.0001917300000000 ] - [ 0.0001236900000000, 0.0020935800000000, 0.0000222300000000 ] - [ -0.0001236900000000, 0.0020935800000000, 0.0000222300000000 ] - [ 0.0000000000000000, 0.0009201100000000, -0.0000042700000000 ] - [ 0.0000000000000000, 0.0006723700000000, 0.0000676800000000 ] - [ -0.0001009900000000, 0.0004955000000000, -0.0003190400000000 ] - [ 0.0001009900000000, 0.0004955000000000, -0.0003190400000000 ] - [ 0.0026061500000000, -0.0005233300000000, 0.0003139200000000 ] - [ -0.0026061500000000, -0.0005233300000000, 0.0003139200000000 ] - [ 0.0000000000000000, -0.0012055800000000, 0.0022399600000000 ] - [ 0.0000000000000000, -0.0003671600000000, 0.0003964500000000 ] - [ -0.0001232300000000, -0.0003519700000000, -0.0001583900000000 ] - [ 0.0001232300000000, -0.0003519700000000, -0.0001583900000000 ] - [ 0.0000000000000000, 0.0001958700000000, 0.0020834900000000 ] - [ 0.0000000000000000, 0.0006835500000000, 0.0004271500000000 ] - [ -0.0000093500000000, -0.0012794800000000, 0.0001082700000000 ] - [ 0.0000093500000000, -0.0012794800000000, 0.0001082700000000 ] - [ 0.0000000000000000, -0.0005442400000000, -0.0002113000000000 ] - [ 0.0000000000000000, -0.0000711000000000, -0.0001836800000000 ] - [ -0.0000011800000000, 0.0000395100000000, 0.0001407200000000 ] - [ 0.0000011800000000, 0.0000395100000000, 0.0001407200000000 ] - [ 0.0000000000000000, -0.0010412600000000, -0.0001250800000000 ] - [ 0.0000000000000000, -0.0007321500000000, -0.0001093700000000 ] - [ 0.0000000000000000, -0.0030264800000000, -0.0005523400000000 ] - [ 0.0000000000000000, 0.0001633200000000, -0.0002279700000000 ] - [ 0.0004846700000000, -0.0009603300000000, -0.0002534800000000 ] - [ -0.0004846700000000, -0.0009603300000000, -0.0002534800000000 ] - [ 0.0000000000000000, -0.0006811400000000, -0.0003497000000000 ] - [ 0.0000000000000000, -0.0005521500000000, -0.0002747000000000 ] - [ -0.0003672400000000, -0.0000095300000000, -0.0002755200000000 ] - [ 0.0003672400000000, -0.0000095300000000, -0.0002755200000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0001893300000000, -0.0006198200000000, 0.0017275200000000 ] - [ -0.0004917400000000, -0.0000894900000000, 0.0009599900000000 ] - [ 0.0000477800000000, -0.0000889500000000, -0.0000886800000000 ] - [ 0.0000648900000000, -0.0008926800000000, 0.0015115300000000 ] - [ 0.0001375100000000, -0.0003224600000000, 0.0003439000000000 ] - [ 0.0005427500000000, -0.0007014300000000, -0.0003757900000000 ] - [ 0.0001237800000000, 0.0002528000000000, -0.0013645600000000 ] - [ 0.0003471800000000, 0.0002615800000000, -0.0010491000000000 ] - [ -0.0000648900000000, -0.0008926800000000, 0.0015115300000000 ] - [ -0.0000477800000000, -0.0000889500000000, -0.0000886800000000 ] - [ 0.0004917400000000, -0.0000894900000000, 0.0009599900000000 ] - [ -0.0001893300000000, -0.0006198200000000, 0.0017275200000000 ] - [ -0.0003471800000000, 0.0002615800000000, -0.0010491000000000 ] - [ -0.0001237800000000, 0.0002528000000000, -0.0013645600000000 ] - [ -0.0005427500000000, -0.0007014300000000, -0.0003757900000000 ] - [ -0.0001375100000000, -0.0003224600000000, 0.0003439000000000 ] - [ 0.0000000000000000, -0.0005372900000000, 0.0011900800000000 ] - [ 0.0000000000000000, -0.0004624000000000, -0.0003603000000000 ] - [ 0.0002891000000000, 0.0009294000000000, 0.0004330000000000 ] - [ -0.0002891000000000, 0.0009294000000000, 0.0004330000000000 ] - [ 0.0000000000000000, 0.0005479700000000, -0.0013494600000000 ] - [ 0.0000000000000000, 0.0005241500000000, -0.0008773900000000 ] - [ -0.0002944100000000, -0.0001452800000000, 0.0005575900000000 ] - [ 0.0002944100000000, -0.0001452800000000, 0.0005575900000000 ] - [ -0.0001332800000000, -0.0006800800000000, 0.0008351700000000 ] - [ 0.0001332800000000, -0.0006800800000000, 0.0008351700000000 ] - [ 0.0000000000000000, 0.0011377400000000, -0.0018054900000000 ] - [ 0.0000000000000000, 0.0009225400000000, 0.0009059600000000 ] - [ -0.0011737400000000, -0.0016132700000000, 0.0009779600000000 ] - [ 0.0004266800000000, -0.0007874600000000, 0.0001916300000000 ] - [ 0.0001481300000000, 0.0004955200000000, -0.0003638300000000 ] - [ -0.0004974100000000, 0.0002469000000000, -0.0010734400000000 ] - [ 0.0004974100000000, 0.0002469000000000, -0.0010734400000000 ] - [ -0.0001481300000000, 0.0004955200000000, -0.0003638300000000 ] - [ -0.0004266800000000, -0.0007874600000000, 0.0001916300000000 ] - [ 0.0011737400000000, -0.0016132700000000, 0.0009779600000000 ] - [ 0.0000000000000000, -0.0006680600000000, -0.0013517900000000 ] - [ 0.0000000000000000, -0.0008669100000000, 0.0010503500000000 ] - [ 0.0000689600000000, 0.0009885800000000, -0.0017141600000000 ] - [ -0.0000689600000000, 0.0009885800000000, -0.0017141600000000 ] - [ -0.0001657100000000, 0.0002592900000000, 0.0008090100000000 ] - [ -0.0003731900000000, 0.0004565400000000, 0.0008970300000000 ] - [ -0.0002336100000000, -0.0004423900000000, -0.0000956000000000 ] - [ -0.0002729400000000, -0.0001615400000000, -0.0004104100000000 ] - [ 0.0001118600000000, 0.0000752300000000, 0.0003466200000000 ] - [ 0.0003552100000000, -0.0000594600000000, 0.0004648600000000 ] - [ 0.0002440500000000, 0.0001054900000000, -0.0008836400000000 ] - [ 0.0002833300000000, 0.0000349400000000, -0.0010201400000000 ] - [ 0.0002729400000000, -0.0001615400000000, -0.0004104100000000 ] - [ 0.0002336100000000, -0.0004423900000000, -0.0000956000000000 ] - [ 0.0003731900000000, 0.0004565400000000, 0.0008970300000000 ] - [ 0.0001657100000000, 0.0002592900000000, 0.0008090100000000 ] - [ -0.0002833300000000, 0.0000349400000000, -0.0010201400000000 ] - [ -0.0002440500000000, 0.0001054900000000, -0.0008836400000000 ] - [ -0.0003552100000000, -0.0000594600000000, 0.0004648600000000 ] - [ -0.0001118600000000, 0.0000752300000000, 0.0003466200000000 ] - [ -0.0000474700000000, -0.0005514600000000, 0.0001322500000000 ] - [ 0.0000474700000000, -0.0005514600000000, 0.0001322500000000 ] - [ 0.0000000000000000, -0.0004806300000000, 0.0000025300000000 ] - [ 0.0000000000000000, 0.0004009800000000, 0.0005593500000000 ] - [ 0.0000215100000000, 0.0004889800000000, -0.0010162700000000 ] - [ -0.0000215100000000, 0.0004889800000000, -0.0010162700000000 ] - [ 0.0000000000000000, -0.0013077200000000, 0.0002590300000000 ] - [ 0.0000000000000000, -0.0006206000000000, 0.0005872300000000 ] - [ 0.0000000000000000, -0.0010209800000000, -0.0008320000000000 ] - [ 0.0000000000000000, -0.0009320200000000, -0.0009207200000000 ] - [ 0.0000506900000000, 0.0008433700000000, 0.0009928000000000 ] - [ -0.0000506900000000, 0.0008433700000000, 0.0009928000000000 ] - [ -0.0000652900000000, -0.0005679200000000, 0.0001319500000000 ] - [ 0.0001028700000000, -0.0004071500000000, 0.0002375000000000 ] - [ 0.0000965900000000, 0.0008201800000000, -0.0002979400000000 ] - [ -0.0000663900000000, 0.0006887000000000, -0.0001819800000000 ] - [ 0.0000663900000000, 0.0006887000000000, -0.0001819800000000 ] - [ -0.0000965900000000, 0.0008201800000000, -0.0002979400000000 ] - [ -0.0001028700000000, -0.0004071500000000, 0.0002375000000000 ] - [ 0.0000652900000000, -0.0005679200000000, 0.0001319500000000 ] - [ -0.0000470800000000, -0.0010012400000000, 0.0010376600000000 ] - [ 0.0000470800000000, -0.0010012400000000, 0.0010376600000000 ] - [ 0.0000000000000000, 0.0009122900000000, -0.0012444600000000 ] - [ 0.0000000000000000, 0.0009125200000000, -0.0011670600000000 ] - [ 0.0018743300000000, 0.0007963800000000, -0.0028316900000000 ] - [ -0.0018743300000000, 0.0007963800000000, -0.0028316900000000 ] - [ 0.0000000000000000, 0.0035696200000000, 0.0039021900000000 ] - [ 0.0000000000000000, 0.0008066200000000, -0.0001126300000000 ] - [ -0.0002279300000000, 0.0005864400000000, 0.0013531400000000 ] - [ 0.0002279300000000, 0.0005864400000000, 0.0013531400000000 ] - [ 0.0000000000000000, 0.0043229800000000, 0.0048962500000000 ] - [ 0.0000000000000000, -0.0002479200000000, -0.0001447500000000 ] - [ 0.0000000000000000, 0.0036608500000000, -0.0015280700000000 ] - [ 0.0000000000000000, 0.0002394100000000, -0.0004762800000000 ] - [ 0.0002175300000000, -0.0002122300000000, 0.0005801700000000 ] - [ -0.0002175300000000, -0.0002122300000000, 0.0005801700000000 ] - [ 0.0000000000000000, -0.0007205600000000, -0.0005433900000000 ] - [ 0.0000000000000000, -0.0004846400000000, -0.0001029500000000 ] - [ -0.0001965600000000, 0.0002220500000000, -0.0001397100000000 ] - [ 0.0001965600000000, 0.0002220500000000, -0.0001397100000000 ] - [ 0.0000000000000000, 0.0003947200000000, 0.0008565800000000 ] - [ 0.0000000000000000, 0.0004989800000000, 0.0005572700000000 ] - [ 0.0001996000000000, -0.0007118000000000, -0.0002924000000000 ] - [ -0.0001996000000000, -0.0007118000000000, -0.0002924000000000 ] - [ -0.0006682400000000, -0.0007764000000000, -0.0005564000000000 ] - [ 0.0006682400000000, -0.0007764000000000, -0.0005564000000000 ] - [ 0.0000000000000000, 0.0005919500000000, 0.0010452900000000 ] - [ 0.0000000000000000, 0.0001865000000000, 0.0003936600000000 ] - [ 0.0000000000000000, -0.0041444700000000, -0.0106940100000000 ] - [ 0.0000000000000000, -0.0004233000000000, -0.0004658400000000 ] - [ -0.0024419800000000, 0.0002138300000000, 0.0007926800000000 ] - [ 0.0024419800000000, 0.0002138300000000, 0.0007926800000000 ] - [ 0.0000000000000000, 0.0002516000000000, 0.0016151300000000 ] - [ 0.0000000000000000, 0.0003220900000000, 0.0006142900000000 ] - [ 0.0013036100000000, -0.0005269000000000, 0.0008557800000000 ] - [ -0.0013036100000000, -0.0005269000000000, 0.0008557800000000 ] - [ 0.0001779600000000, 0.0001287600000000, -0.0013736800000000 ] - [ -0.0001779600000000, 0.0001287600000000, -0.0013736800000000 ] - [ 0.0000000000000000, -0.0025105700000000, 0.0013611300000000 ] - [ 0.0000000000000000, -0.0007122200000000, 0.0002287200000000 ] - [ -0.0000272900000000, -0.0004885900000000, 0.0003453500000000 ] - [ 0.0000272900000000, -0.0004885900000000, 0.0003453500000000 ] - [ 0.0000000000000000, -0.0015221600000000, 0.0012410100000000 ] - [ 0.0000000000000000, 0.0002931300000000, 0.0001819500000000 ] - [ -0.0000056100000000, -0.0003391200000000, -0.0001153000000000 ] - [ 0.0000056100000000, -0.0003391200000000, -0.0001153000000000 ] - [ 0.0000000000000000, 0.0004442000000000, -0.0002044400000000 ] - [ 0.0000000000000000, 0.0004168600000000, -0.0001929200000000 ] - [ 0.0000008100000000, 0.0003952300000000, 0.0003608800000000 ] - [ -0.0000008100000000, 0.0003952300000000, 0.0003608800000000 ] - [ 0.0000000000000000, -0.0003365400000000, -0.0000823800000000 ] - [ 0.0000000000000000, -0.0003205900000000, -0.0001179300000000 ] - [ 0.0000000000000000, 0.0010217000000000, -0.0014089300000000 ] - [ 0.0000000000000000, 0.0005677500000000, -0.0005237700000000 ] - [ -0.0003699500000000, 0.0000004900000000, 0.0003033200000000 ] - [ 0.0003699500000000, 0.0000004900000000, 0.0003033200000000 ] - [ 0.0000000000000000, -0.0003496600000000, 0.0003983100000000 ] - [ 0.0000000000000000, -0.0004203000000000, 0.0000681000000000 ] - [ 0.0003122600000000, 0.0009676300000000, 0.0003616800000000 ] - [ -0.0003122600000000, 0.0009676300000000, 0.0003616800000000 ]- atom: 105 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0007088500000000, 0.0008904500000000, -0.0005103600000000 ] - [ -0.0000438700000000, 0.0003943200000000, 0.0003033500000000 ] - [ -0.0005820800000000, -0.0001914800000000, -0.0012298100000000 ] - [ -0.0006113200000000, 0.0006282200000000, -0.0028307200000000 ] - [ 0.0003977600000000, 0.0000399600000000, 0.0009244400000000 ] - [ -0.0000047500000000, 0.0004167100000000, 0.0016422500000000 ] - [ 0.0004111100000000, 0.0000518100000000, 0.0000508600000000 ] - [ 0.0001900100000000, 0.0000422800000000, -0.0002646700000000 ] - [ 0.0006113200000000, 0.0006282200000000, -0.0028307200000000 ] - [ 0.0005820800000000, -0.0001914800000000, -0.0012298100000000 ] - [ 0.0000438700000000, 0.0003943200000000, 0.0003033500000000 ] - [ 0.0007088500000000, 0.0008904500000000, -0.0005103600000000 ] - [ -0.0001900100000000, 0.0000422800000000, -0.0002646700000000 ] - [ -0.0004111100000000, 0.0000518100000000, 0.0000508600000000 ] - [ 0.0000047500000000, 0.0004167100000000, 0.0016422500000000 ] - [ -0.0003977600000000, 0.0000399600000000, 0.0009244400000000 ] - [ 0.0000000000000000, -0.0004817300000000, -0.0024252000000000 ] - [ 0.0000000000000000, -0.0005366100000000, -0.0008712800000000 ] - [ -0.0002909300000000, 0.0000875800000000, 0.0007485300000000 ] - [ 0.0002909300000000, 0.0000875800000000, 0.0007485300000000 ] - [ 0.0000000000000000, 0.0004703500000000, 0.0001210100000000 ] - [ 0.0000000000000000, 0.0004956200000000, -0.0003528900000000 ] - [ 0.0002934400000000, -0.0008531100000000, 0.0006281900000000 ] - [ -0.0002934400000000, -0.0008531100000000, 0.0006281900000000 ] - [ 0.0001461300000000, -0.0011508600000000, -0.0029191700000000 ] - [ -0.0001461300000000, -0.0011508600000000, -0.0029191700000000 ] - [ 0.0000000000000000, 0.0007147800000000, 0.0038167500000000 ] - [ 0.0000000000000000, 0.0009344800000000, 0.0011271900000000 ] - [ 0.0011926100000000, 0.0004003900000000, -0.0009604100000000 ] - [ -0.0004274000000000, -0.0004579900000000, -0.0002125400000000 ] - [ -0.0001494400000000, 0.0007737300000000, 0.0003399600000000 ] - [ 0.0005021800000000, 0.0010257700000000, 0.0010537000000000 ] - [ -0.0005021800000000, 0.0010257700000000, 0.0010537000000000 ] - [ 0.0001494400000000, 0.0007737300000000, 0.0003399600000000 ] - [ 0.0004274000000000, -0.0004579900000000, -0.0002125400000000 ] - [ -0.0011926100000000, 0.0004003900000000, -0.0009604100000000 ] - [ 0.0000000000000000, -0.0011542700000000, 0.0034710200000000 ] - [ 0.0000000000000000, -0.0009684300000000, 0.0009864900000000 ] - [ -0.0000709600000000, 0.0008681100000000, -0.0003665100000000 ] - [ 0.0000709600000000, 0.0008681100000000, -0.0003665100000000 ] - [ -0.0003709200000000, 0.0000436600000000, 0.0004569000000000 ] - [ -0.0001618800000000, -0.0001539200000000, 0.0003675400000000 ] - [ -0.0003009000000000, 0.0001576000000000, -0.0012241900000000 ] - [ -0.0002637900000000, -0.0001217100000000, -0.0009062200000000 ] - [ 0.0004234500000000, -0.0003562500000000, 0.0009218800000000 ] - [ 0.0001813300000000, -0.0002222100000000, 0.0008035300000000 ] - [ 0.0002918000000000, 0.0001969000000000, -0.0004306500000000 ] - [ 0.0002532700000000, 0.0002667600000000, -0.0002940100000000 ] - [ 0.0002637900000000, -0.0001217100000000, -0.0009062200000000 ] - [ 0.0003009000000000, 0.0001576000000000, -0.0012241900000000 ] - [ 0.0001618800000000, -0.0001539200000000, 0.0003675400000000 ] - [ 0.0003709200000000, 0.0000436600000000, 0.0004569000000000 ] - [ -0.0002532700000000, 0.0002667600000000, -0.0002940100000000 ] - [ -0.0002918000000000, 0.0001969000000000, -0.0004306500000000 ] - [ -0.0001813300000000, -0.0002222100000000, 0.0008035300000000 ] - [ -0.0004234500000000, -0.0003562500000000, 0.0009218800000000 ] - [ 0.0000481500000000, -0.0004448300000000, -0.0013623100000000 ] - [ -0.0000481500000000, -0.0004448300000000, -0.0013623100000000 ] - [ 0.0000000000000000, 0.0015041700000000, 0.0011797000000000 ] - [ 0.0000000000000000, 0.0006184800000000, 0.0006228700000000 ] - [ -0.0000224500000000, 0.0005326000000000, -0.0002136000000000 ] - [ 0.0000224500000000, 0.0005326000000000, -0.0002136000000000 ] - [ 0.0000000000000000, 0.0003060400000000, 0.0009251700000000 ] - [ 0.0000000000000000, -0.0003787400000000, 0.0005966400000000 ] - [ 0.0000000000000000, -0.0008152800000000, -0.0012497600000000 ] - [ 0.0000000000000000, -0.0009043100000000, -0.0011608900000000 ] - [ -0.0000511100000000, 0.0010133000000000, 0.0010404200000000 ] - [ 0.0000511100000000, 0.0010133000000000, 0.0010404200000000 ] - [ 0.0000655400000000, -0.0006803900000000, -0.0001544900000000 ] - [ -0.0001036700000000, -0.0008416100000000, -0.0002580400000000 ] - [ -0.0000976200000000, 0.0004458400000000, 0.0002743300000000 ] - [ 0.0000671600000000, 0.0005785700000000, 0.0001578600000000 ] - [ -0.0000671600000000, 0.0005785700000000, 0.0001578600000000 ] - [ 0.0000976200000000, 0.0004458400000000, 0.0002743300000000 ] - [ 0.0001036700000000, -0.0008416100000000, -0.0002580400000000 ] - [ -0.0000655400000000, -0.0006803900000000, -0.0001544900000000 ] - [ 0.0000468800000000, -0.0008350500000000, 0.0009978900000000 ] - [ -0.0000468800000000, -0.0008350500000000, 0.0009978900000000 ] - [ 0.0000000000000000, 0.0009445100000000, -0.0008375400000000 ] - [ 0.0000000000000000, 0.0009444400000000, -0.0009151000000000 ] - [ -0.0018887400000000, -0.0017593300000000, 0.0032528400000000 ] - [ 0.0018887400000000, -0.0017593300000000, 0.0032528400000000 ] - [ 0.0000000000000000, -0.0026497800000000, -0.0044184000000000 ] - [ 0.0000000000000000, 0.0001558500000000, -0.0003651200000000 ] - [ 0.0002314500000000, 0.0003836700000000, -0.0009255000000000 ] - [ -0.0002314500000000, 0.0003836700000000, -0.0009255000000000 ] - [ 0.0000000000000000, -0.0052265300000000, -0.0053392400000000 ] - [ 0.0000000000000000, -0.0007031300000000, -0.0003373800000000 ] - [ 0.0000000000000000, -0.0036546200000000, 0.0015318300000000 ] - [ 0.0000000000000000, -0.0002291400000000, 0.0004569000000000 ] - [ -0.0002161100000000, 0.0002209900000000, -0.0006064500000000 ] - [ 0.0002161100000000, 0.0002209900000000, -0.0006064500000000 ] - [ 0.0000000000000000, -0.0002109200000000, 0.0009762900000000 ] - [ 0.0000000000000000, -0.0004570600000000, 0.0005361600000000 ] - [ 0.0001979900000000, 0.0007440800000000, -0.0003395200000000 ] - [ -0.0001979900000000, 0.0007440800000000, -0.0003395200000000 ] - [ 0.0000000000000000, 0.0005798400000000, -0.0004274500000000 ] - [ 0.0000000000000000, 0.0004739000000000, -0.0001271100000000 ] - [ -0.0001996100000000, -0.0002390100000000, -0.0001891500000000 ] - [ 0.0001996100000000, -0.0002390100000000, -0.0001891500000000 ] - [ 0.0006665700000000, 0.0007835000000000, 0.0005389300000000 ] - [ -0.0006665700000000, 0.0007835000000000, 0.0005389300000000 ] - [ 0.0000000000000000, -0.0005781700000000, -0.0010704900000000 ] - [ 0.0000000000000000, -0.0001751600000000, -0.0004189000000000 ] - [ 0.0000000000000000, 0.0019495100000000, 0.0141680800000000 ] - [ 0.0000000000000000, -0.0003129900000000, 0.0007252300000000 ] - [ 0.0024657300000000, 0.0005444100000000, -0.0010983300000000 ] - [ -0.0024657300000000, 0.0005444100000000, -0.0010983300000000 ] - [ 0.0000000000000000, 0.0005049700000000, -0.0013620000000000 ] - [ 0.0000000000000000, 0.0004345500000000, -0.0003586100000000 ] - [ -0.0012960300000000, -0.0002089600000000, -0.0011609400000000 ] - [ 0.0012960300000000, -0.0002089600000000, -0.0011609400000000 ] - [ -0.0001889300000000, 0.0008611400000000, 0.0009543900000000 ] - [ 0.0001889300000000, 0.0008611400000000, 0.0009543900000000 ] - [ 0.0000000000000000, 0.0015726600000000, -0.0009926700000000 ] - [ 0.0000000000000000, -0.0002440100000000, 0.0001446900000000 ] - [ 0.0000286700000000, -0.0004560000000000, -0.0007653000000000 ] - [ -0.0000286700000000, -0.0004560000000000, -0.0007653000000000 ] - [ 0.0000000000000000, 0.0024762300000000, -0.0008724900000000 ] - [ 0.0000000000000000, 0.0006736400000000, 0.0001870300000000 ] - [ 0.0000051000000000, -0.0003958900000000, 0.0003730400000000 ] - [ -0.0000051000000000, -0.0003958900000000, 0.0003730400000000 ] - [ 0.0000000000000000, 0.0003135800000000, -0.0000983100000000 ] - [ 0.0000000000000000, 0.0003403000000000, -0.0001107700000000 ] - [ -0.0000004100000000, 0.0003615900000000, -0.0001046600000000 ] - [ 0.0000004100000000, 0.0003615900000000, -0.0001046600000000 ] - [ 0.0000000000000000, -0.0003985100000000, -0.0002236100000000 ] - [ 0.0000000000000000, -0.0004146200000000, -0.0001874100000000 ] - [ 0.0000000000000000, -0.0000506400000000, 0.0009880700000000 ] - [ 0.0000000000000000, 0.0004098800000000, 0.0001048400000000 ] - [ 0.0003710500000000, -0.0009597700000000, 0.0000703100000000 ] - [ -0.0003710500000000, -0.0009597700000000, 0.0000703100000000 ] - [ 0.0000000000000000, -0.0005985000000000, -0.0008183600000000 ] - [ 0.0000000000000000, -0.0005266700000000, -0.0004876000000000 ] - [ -0.0003121800000000, 0.0000004700000000, 0.0000076900000000 ] - [ 0.0003121800000000, 0.0000004700000000, 0.0000076900000000 ]- atom: 113 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0013485200000000, 0.0004129800000000, 0.0002423400000000 ] - [ -0.0015092400000000, -0.0001382500000000, 0.0013312100000000 ] - [ 0.0001615500000000, -0.0004258000000000, -0.0005474500000000 ] - [ -0.0007394800000000, 0.0001768700000000, -0.0007665500000000 ] - [ 0.0003873600000000, -0.0002025500000000, 0.0005743700000000 ] - [ 0.0001559100000000, -0.0000740800000000, 0.0007187100000000 ] - [ 0.0006707800000000, 0.0002105300000000, -0.0004312300000000 ] - [ -0.0001606100000000, 0.0000752800000000, -0.0009044600000000 ] - [ 0.0006949000000000, 0.0001395500000000, -0.0007451700000000 ] - [ -0.0002019600000000, -0.0004676100000000, -0.0005232800000000 ] - [ 0.0019451700000000, -0.0001015600000000, 0.0009755500000000 ] - [ -0.0009705900000000, 0.0004316300000000, -0.0000325100000000 ] - [ 0.0001371500000000, 0.0000861500000000, -0.0008558300000000 ] - [ -0.0006979600000000, 0.0002208500000000, -0.0003867700000000 ] - [ -0.0001522400000000, -0.0000845400000000, 0.0007178800000000 ] - [ -0.0003799600000000, -0.0002153000000000, 0.0005724200000000 ] - [ 0.0017968600000000, -0.0004171800000000, -0.0004417300000000 ] - [ 0.0020714900000000, -0.0006297300000000, -0.0007701200000000 ] - [ 0.0001419000000000, 0.0005070300000000, 0.0006040000000000 ] - [ -0.0001478400000000, 0.0005063400000000, 0.0006045200000000 ] - [ -0.0000002500000000, 0.0005298200000000, -0.0006175600000000 ] - [ 0.0000004200000000, 0.0004847200000000, -0.0005885200000000 ] - [ 0.0014590600000000, -0.0005086000000000, 0.0006146100000000 ] - [ -0.0008378800000000, -0.0005034300000000, 0.0006019900000000 ] - [ 0.0014652200000000, -0.0009119500000000, -0.0010303000000000 ] - [ -0.0009213700000000, -0.0009228700000000, -0.0010280200000000 ] - [ -0.0001227600000000, 0.0013788500000000, 0.0006168800000000 ] - [ -0.0001204300000000, 0.0004694400000000, 0.0014408900000000 ] - [ 0.0003251200000000, -0.0004108600000000, 0.0001015500000000 ] - [ -0.0003338500000000, -0.0008274300000000, -0.0001189900000000 ] - [ 0.0003750500000000, 0.0005852300000000, 0.0004745500000000 ] - [ -0.0003451000000000, 0.0006710800000000, -0.0002268100000000 ] - [ 0.0003727800000000, 0.0006769900000000, -0.0004730300000000 ] - [ -0.0003445900000000, 0.0005910100000000, 0.0002290700000000 ] - [ 0.0003306000000000, -0.0008402200000000, -0.0000996500000000 ] - [ -0.0003354600000000, -0.0004285600000000, 0.0001181500000000 ] - [ -0.0001237500000000, -0.0003110100000000, 0.0014708800000000 ] - [ -0.0001191900000000, -0.0015330300000000, 0.0005851200000000 ] - [ 0.0002090600000000, 0.0009248000000000, -0.0010274400000000 ] - [ -0.0001961300000000, 0.0009244700000000, -0.0010278100000000 ] - [ -0.0000753400000000, 0.0001884100000000, 0.0006531400000000 ] - [ -0.0004615900000000, 0.0001092400000000, 0.0006344900000000 ] - [ 0.0018035000000000, -0.0003225400000000, -0.0007284800000000 ] - [ -0.0018122900000000, 0.0006892700000000, -0.0000437000000000 ] - [ 0.0007659200000000, -0.0002341400000000, 0.0010147300000000 ] - [ -0.0001959900000000, 0.0000055700000000, 0.0004728000000000 ] - [ 0.0003451600000000, 0.0001802800000000, -0.0006742400000000 ] - [ 0.0001905700000000, 0.0001133400000000, -0.0006120700000000 ] - [ 0.0024031000000000, -0.0000293700000000, -0.0006005800000000 ] - [ -0.0012697400000000, -0.0009717300000000, -0.0012417000000000 ] - [ 0.0004608600000000, 0.0001101500000000, 0.0006378800000000 ] - [ 0.0000761000000000, 0.0001890200000000, 0.0006571300000000 ] - [ -0.0001924800000000, 0.0001173900000000, -0.0006158700000000 ] - [ -0.0003459300000000, 0.0001841500000000, -0.0006781900000000 ] - [ 0.0002340300000000, -0.0000593600000000, 0.0002796600000000 ] - [ -0.0007337500000000, -0.0002942000000000, 0.0008168800000000 ] - [ 0.0002123700000000, -0.0005013200000000, -0.0006038900000000 ] - [ -0.0002180700000000, -0.0005022300000000, -0.0006038600000000 ] - [ -0.0003428700000000, 0.0001496000000000, -0.0003742400000000 ] - [ -0.0003409100000000, 0.0008627900000000, 0.0015874200000000 ] - [ 0.0002640200000000, 0.0005067300000000, -0.0006026200000000 ] - [ -0.0002522200000000, 0.0005070100000000, -0.0006027700000000 ] - [ -0.0000009300000000, -0.0005036400000000, 0.0006647000000000 ] - [ 0.0000002700000000, -0.0005017800000000, 0.0005425100000000 ] - [ -0.0002555500000000, -0.0018336100000000, -0.0010071600000000 ] - [ -0.0002537500000000, -0.0000043200000000, -0.0010495300000000 ] - [ 0.0003072100000000, 0.0009248100000000, 0.0010285900000000 ] - [ -0.0002752400000000, 0.0009256000000000, 0.0010288300000000 ] - [ 0.0019084000000000, -0.0000796100000000, -0.0008010000000000 ] - [ -0.0012175600000000, -0.0011147700000000, 0.0005098200000000 ] - [ 0.0001189200000000, 0.0006011700000000, -0.0000340300000000 ] - [ -0.0001221900000000, 0.0006683500000000, 0.0000395100000000 ] - [ 0.0001193000000000, 0.0006624000000000, 0.0000349400000000 ] - [ -0.0001229700000000, 0.0005952400000000, -0.0000383300000000 ] - [ 0.0018676000000000, -0.0012142200000000, 0.0008159900000000 ] - [ -0.0012204500000000, -0.0001362500000000, -0.0005141500000000 ] - [ 0.0006452100000000, -0.0009216000000000, 0.0010283800000000 ] - [ -0.0003713400000000, -0.0009200200000000, 0.0010277400000000 ] - [ -0.0000003300000000, 0.0008412900000000, -0.0010535600000000 ] - [ 0.0000003600000000, 0.0010087800000000, -0.0010020900000000 ] - [ -0.0008900900000000, -0.0004861900000000, 0.0002291500000000 ] - [ 0.0008562800000000, -0.0004733800000000, 0.0002295400000000 ] - [ 0.0008369100000000, 0.0000405200000000, 0.0014967200000000 ] - [ 0.0008328100000000, 0.0009196300000000, -0.0019600500000000 ] - [ -0.0007116500000000, 0.0004833700000000, 0.0002257700000000 ] - [ 0.0006005600000000, 0.0004836400000000, 0.0002267400000000 ] - [ 0.0000149900000000, -0.0009370500000000, -0.0004985800000000 ] - [ 0.0000097700000000, -0.0000215300000000, 0.0000449600000000 ] - [ 0.0056121200000000, 0.0017591600000000, 0.0054065400000000 ] - [ 0.0056567600000000, -0.0017750600000000, -0.0054753000000000 ] - [ -0.0009382300000000, 0.0000042700000000, -0.0000077200000000 ] - [ 0.0008607000000000, 0.0000020400000000, 0.0000013700000000 ] - [ 0.0035664100000000, 0.0042172200000000, -0.0004232900000000 ] - [ 0.0035845200000000, -0.0052172400000000, 0.0008903600000000 ] - [ -0.0003119400000000, 0.0004785600000000, -0.0002282300000000 ] - [ 0.0003204400000000, 0.0004772800000000, -0.0002285700000000 ] - [ -0.0000042800000000, 0.0005494300000000, 0.0002572000000000 ] - [ -0.0000053000000000, 0.0004152400000000, 0.0001966500000000 ] - [ -0.0036475100000000, -0.0004625400000000, -0.0002353900000000 ] - [ 0.0013743300000000, -0.0004803000000000, -0.0002238500000000 ] - [ -0.0004475300000000, 0.0000001800000000, 0.0000010100000000 ] - [ 0.0004589000000000, 0.0000018800000000, 0.0000000500000000 ] - [ -0.0000027700000000, -0.0000155100000000, -0.0000627700000000 ] - [ -0.0000045300000000, 0.0000181200000000, 0.0000628100000000 ] - [ 0.0015129200000000, -0.0029559100000000, 0.0003240200000000 ] - [ 0.0015107800000000, 0.0022368400000000, -0.0000447800000000 ] - [ -0.0012434800000000, 0.0003730900000000, -0.0001346900000000 ] - [ 0.0006556000000000, 0.0003759800000000, -0.0001399100000000 ] - [ 0.0000052000000000, 0.0002517000000000, 0.0001111700000000 ] - [ 0.0000030700000000, 0.0004981500000000, 0.0001671500000000 ] - [ -0.0008102000000000, -0.0003763800000000, -0.0001458800000000 ] - [ 0.0005462500000000, -0.0003700700000000, -0.0001385300000000 ] - [ -0.0299472300000000, 0.0003794000000000, -0.0000941400000000 ] - [ 0.0023502700000000, 0.0004871800000000, -0.0001980300000000 ] - [ -0.0000022000000000, -0.0006123900000000, 0.0003039800000000 ] - [ -0.0000035700000000, -0.0003523500000000, 0.0000937300000000 ] - [ -0.0001302900000000, -0.0004773100000000, -0.0001987000000000 ] - [ 0.0001314100000000, -0.0004767000000000, -0.0001985500000000 ] - [ 0.0011662300000000, 0.0002974400000000, -0.0021554700000000 ] - [ 0.0011615400000000, 0.0006669300000000, 0.0025726300000000 ] - [ -0.0014990600000000, -0.0003688700000000, 0.0001408400000000 ] - [ 0.0007155700000000, -0.0003728800000000, 0.0001396900000000 ] - [ 0.0001081200000000, 0.0008569900000000, 0.0002296700000000 ] - [ 0.0001069500000000, -0.0001095400000000, -0.0005098100000000 ] - [ -0.0002142800000000, 0.0003750800000000, 0.0001391700000000 ] - [ 0.0002065400000000, 0.0003744000000000, 0.0001394900000000 ] - [ 0.0001047100000000, -0.0000043300000000, -0.0004500700000000 ] - [ 0.0001021400000000, -0.0007385600000000, 0.0001726300000000 ] - [ 0.0000004600000000, 0.0004981000000000, -0.0002011400000000 ] - [ -0.0000013100000000, 0.0004726200000000, -0.0001949700000000 ] - [ -0.0019134200000000, -0.0004794900000000, 0.0002036700000000 ] - [ 0.0008064000000000, -0.0004825000000000, 0.0001971400000000 ] - [ 0.0000126500000000, -0.0003884600000000, -0.0002081200000000 ] - [ 0.0000106000000000, -0.0005646200000000, -0.0001894300000000 ] - [ -0.0002019700000000, 0.0004796000000000, 0.0001985300000000 ] - [ 0.0001982900000000, 0.0004801700000000, 0.0001990500000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001407900000000, 0.0022335000000000, 0.0007378200000000 ] - [ -0.0005794600000000, 0.0008705600000000, 0.0006796300000000 ] - [ -0.0006024400000000, -0.0014604800000000, -0.0001364100000000 ] - [ -0.0000567500000000, -0.0006752300000000, -0.0005035700000000 ] - [ 0.0001108500000000, -0.0005425700000000, 0.0004142600000000 ] - [ 0.0003702800000000, -0.0003275700000000, 0.0005293700000000 ] - [ 0.0002817700000000, 0.0007150500000000, -0.0006025500000000 ] - [ 0.0002745700000000, 0.0004322500000000, -0.0005902800000000 ] - [ 0.0006024400000000, -0.0014604800000000, -0.0001364100000000 ] - [ 0.0000567500000000, -0.0006752300000000, -0.0005035700000000 ] - [ -0.0001407900000000, 0.0022335000000000, 0.0007378200000000 ] - [ 0.0005794600000000, 0.0008705600000000, 0.0006796300000000 ] - [ -0.0002817700000000, 0.0007150500000000, -0.0006025500000000 ] - [ -0.0002745700000000, 0.0004322500000000, -0.0005902800000000 ] - [ -0.0001108500000000, -0.0005425700000000, 0.0004142600000000 ] - [ -0.0003702800000000, -0.0003275700000000, 0.0005293700000000 ] - [ -0.0000349600000000, 0.0018833200000000, -0.0006793000000000 ] - [ 0.0000349600000000, 0.0018833200000000, -0.0006793000000000 ] - [ 0.0000000000000000, -0.0001262900000000, 0.0007365000000000 ] - [ 0.0000000000000000, 0.0002508800000000, 0.0006649300000000 ] - [ 0.0000287200000000, 0.0002997200000000, -0.0005717800000000 ] - [ -0.0000287200000000, 0.0002997200000000, -0.0005717800000000 ] - [ 0.0000000000000000, 0.0015162200000000, 0.0007281000000000 ] - [ 0.0000000000000000, -0.0001558800000000, 0.0006683800000000 ] - [ 0.0000000000000000, 0.0070602100000000, -0.0008560100000000 ] - [ 0.0000000000000000, -0.0006973900000000, -0.0011881000000000 ] - [ 0.0003339700000000, 0.0009486800000000, 0.0014143300000000 ] - [ -0.0003339700000000, 0.0009486800000000, 0.0014143300000000 ] - [ 0.0006807700000000, -0.0017352800000000, -0.0006668600000000 ] - [ -0.0002140200000000, -0.0009736200000000, -0.0001818900000000 ] - [ -0.0000025200000000, 0.0011600500000000, 0.0002682100000000 ] - [ 0.0000641700000000, 0.0009377000000000, 0.0000949900000000 ] - [ 0.0000025200000000, 0.0011600500000000, 0.0002682100000000 ] - [ -0.0000641700000000, 0.0009377000000000, 0.0000949900000000 ] - [ -0.0006807700000000, -0.0017352800000000, -0.0006668600000000 ] - [ 0.0002140200000000, -0.0009736200000000, -0.0001818900000000 ] - [ 0.0005162900000000, -0.0007469700000000, 0.0004847900000000 ] - [ -0.0005162900000000, -0.0007469700000000, 0.0004847900000000 ] - [ 0.0000000000000000, 0.0010613700000000, -0.0009287200000000 ] - [ 0.0000000000000000, 0.0010118900000000, -0.0009900100000000 ] - [ -0.0002083800000000, -0.0006143700000000, 0.0005000000000000 ] - [ -0.0003101000000000, -0.0002409700000000, 0.0006523600000000 ] - [ -0.0002488400000000, 0.0023801300000000, -0.0006622000000000 ] - [ 0.0006680000000000, 0.0001754200000000, -0.0008659200000000 ] - [ 0.0000903200000000, 0.0001580500000000, 0.0013760600000000 ] - [ 0.0003211900000000, 0.0000668400000000, 0.0007748300000000 ] - [ 0.0002696600000000, -0.0001704000000000, -0.0006270100000000 ] - [ 0.0002498400000000, -0.0001048400000000, -0.0006169400000000 ] - [ 0.0002488400000000, 0.0023801300000000, -0.0006622000000000 ] - [ -0.0006680000000000, 0.0001754200000000, -0.0008659200000000 ] - [ 0.0002083800000000, -0.0006143700000000, 0.0005000000000000 ] - [ 0.0003101000000000, -0.0002409700000000, 0.0006523600000000 ] - [ -0.0002696600000000, -0.0001704000000000, -0.0006270100000000 ] - [ -0.0002498400000000, -0.0001048400000000, -0.0006169400000000 ] - [ -0.0000903200000000, 0.0001580500000000, 0.0013760600000000 ] - [ -0.0003211900000000, 0.0000668400000000, 0.0007748300000000 ] - [ 0.0000000000000000, -0.0017585000000000, -0.0006188600000000 ] - [ 0.0000000000000000, -0.0009238000000000, -0.0006386800000000 ] - [ -0.0001299900000000, 0.0013547500000000, 0.0003927500000000 ] - [ 0.0001299900000000, 0.0013547500000000, 0.0003927500000000 ] - [ 0.0000000000000000, 0.0009007800000000, -0.0007185600000000 ] - [ 0.0000000000000000, 0.0007117800000000, -0.0005931500000000 ] - [ 0.0000661300000000, -0.0009619800000000, 0.0005217700000000 ] - [ -0.0000661300000000, -0.0009619800000000, 0.0005217700000000 ] - [ -0.0007964100000000, -0.0019229900000000, -0.0010396800000000 ] - [ 0.0007964100000000, -0.0019229900000000, -0.0010396800000000 ] - [ 0.0000000000000000, 0.0005553300000000, 0.0006061400000000 ] - [ 0.0000000000000000, 0.0008436000000000, 0.0009333100000000 ] - [ 0.0007366000000000, 0.0002537600000000, 0.0005855300000000 ] - [ -0.0006058300000000, -0.0004122400000000, 0.0002355700000000 ] - [ -0.0000217300000000, 0.0003176500000000, -0.0000567600000000 ] - [ 0.0000249700000000, 0.0003944100000000, -0.0000266000000000 ] - [ 0.0000217300000000, 0.0003176500000000, -0.0000567600000000 ] - [ -0.0000249700000000, 0.0003944100000000, -0.0000266000000000 ] - [ -0.0007366000000000, 0.0002537600000000, 0.0005855300000000 ] - [ 0.0006058300000000, -0.0004122400000000, 0.0002355700000000 ] - [ 0.0000000000000000, -0.0019956600000000, 0.0018622200000000 ] - [ 0.0000000000000000, -0.0011171700000000, 0.0011409200000000 ] - [ -0.0000517400000000, 0.0008536200000000, -0.0010361400000000 ] - [ 0.0000517400000000, 0.0008536200000000, -0.0010361400000000 ] - [ 0.0000000000000000, 0.0046350200000000, 0.0005018200000000 ] - [ 0.0000000000000000, 0.0001821800000000, 0.0003357000000000 ] - [ -0.0005822000000000, -0.0003475200000000, -0.0009634900000000 ] - [ 0.0005822000000000, -0.0003475200000000, -0.0009634900000000 ] - [ 0.0000000000000000, -0.0002832600000000, 0.0000541800000000 ] - [ 0.0000000000000000, 0.0001398900000000, 0.0001205300000000 ] - [ -0.0005661200000000, 0.0002266400000000, 0.0003939300000000 ] - [ 0.0005661200000000, 0.0002266400000000, 0.0003939300000000 ] - [ 0.0017073800000000, -0.0034598900000000, 0.0015433600000000 ] - [ -0.0017073800000000, -0.0034598900000000, 0.0015433600000000 ] - [ 0.0000000000000000, -0.0008905800000000, -0.0006619200000000 ] - [ 0.0000000000000000, -0.0003643900000000, -0.0001351500000000 ] - [ 0.0047216400000000, 0.0003736800000000, 0.0000506100000000 ] - [ -0.0047216400000000, 0.0003736800000000, 0.0000506100000000 ] - [ 0.0000000000000000, 0.0014406800000000, -0.0000111100000000 ] - [ 0.0000000000000000, 0.0010012600000000, -0.0001962400000000 ] - [ 0.0000312400000000, 0.0009486500000000, 0.0002391800000000 ] - [ -0.0000312400000000, 0.0009486500000000, 0.0002391800000000 ] - [ 0.0000000000000000, 0.0012838600000000, -0.0061917200000000 ] - [ 0.0000000000000000, -0.0006793300000000, -0.0006308000000000 ] - [ 0.0000000000000000, 0.0017937200000000, -0.0002465900000000 ] - [ 0.0000000000000000, 0.0007714900000000, -0.0001265000000000 ] - [ -0.0000897100000000, 0.0005741100000000, 0.0001073000000000 ] - [ 0.0000897100000000, 0.0005741100000000, 0.0001073000000000 ] - [ -0.0030277900000000, 0.0006807600000000, -0.0002361400000000 ] - [ 0.0030277900000000, 0.0006807600000000, -0.0002361400000000 ] - [ 0.0000000000000000, 0.0011361700000000, -0.0021966000000000 ] - [ 0.0000000000000000, 0.0002960100000000, -0.0003799500000000 ] - [ -0.0001376400000000, 0.0002864000000000, 0.0001612300000000 ] - [ 0.0001376400000000, 0.0002864000000000, 0.0001612300000000 ] - [ 0.0000000000000000, -0.0000436200000000, 0.0018758000000000 ] - [ 0.0000000000000000, -0.0005355300000000, 0.0000573800000000 ] - [ 0.0000000000000000, -0.0301561500000000, 0.0008196900000000 ] - [ 0.0000000000000000, -0.0003177200000000, -0.0000912100000000 ] - [ -0.0001311000000000, 0.0000524000000000, -0.0000090900000000 ] - [ 0.0001311000000000, 0.0000524000000000, -0.0000090900000000 ] - [ 0.0000000000000000, -0.0000821700000000, -0.0002010000000000 ] - [ 0.0000000000000000, -0.0002507700000000, -0.0002014100000000 ] - [ 0.0001902800000000, -0.0008536800000000, -0.0000142200000000 ] - [ -0.0001902800000000, -0.0008536800000000, -0.0000142200000000 ] - [ 0.0000000000000000, 0.0031894400000000, 0.0006670400000000 ] - [ 0.0000000000000000, -0.0000081600000000, 0.0002123700000000 ] - [ 0.0003554100000000, 0.0008945400000000, 0.0003353300000000 ] - [ -0.0003554100000000, 0.0008945400000000, 0.0003353300000000 ] - [ 0.0000000000000000, 0.0006203900000000, 0.0000200900000000 ] - [ 0.0000000000000000, 0.0004904800000000, 0.0000913400000000 ] - [ 0.0003945600000000, 0.0001592200000000, -0.0006173300000000 ] - [ -0.0003945600000000, 0.0001592200000000, -0.0006173300000000 ] - [ -0.0000140100000000, 0.0014712500000000, -0.0002356500000000 ] - [ 0.0000140100000000, 0.0014712500000000, -0.0002356500000000 ] - [ 0.0000000000000000, -0.0016723200000000, 0.0022267900000000 ] - [ 0.0000000000000000, -0.0008226400000000, 0.0003524600000000 ] - [ 0.0000887400000000, -0.0007250000000000, -0.0002553600000000 ] - [ -0.0000887400000000, -0.0007250000000000, -0.0002553600000000 ] - [ 0.0000000000000000, 0.0014063500000000, 0.0002719800000000 ] - [ 0.0000000000000000, 0.0009273400000000, 0.0002585700000000 ]- atom: 113 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0006909700000000, -0.0019155600000000, 0.0005423300000000 ] - [ 0.0000441100000000, -0.0005588300000000, 0.0006161800000000 ] - [ 0.0000582200000000, 0.0011714400000000, -0.0011413700000000 ] - [ -0.0004815300000000, 0.0003937200000000, -0.0007791400000000 ] - [ 0.0004273300000000, 0.0002618900000000, 0.0008800400000000 ] - [ 0.0001710200000000, 0.0000485800000000, 0.0007659600000000 ] - [ 0.0002579200000000, -0.0004046000000000, -0.0006798200000000 ] - [ 0.0002658000000000, -0.0001241600000000, -0.0006926200000000 ] - [ -0.0000582200000000, 0.0011714400000000, -0.0011413700000000 ] - [ 0.0004815300000000, 0.0003937200000000, -0.0007791400000000 ] - [ 0.0006909700000000, -0.0019155600000000, 0.0005423300000000 ] - [ -0.0000441100000000, -0.0005588300000000, 0.0006161800000000 ] - [ -0.0002579200000000, -0.0004046000000000, -0.0006798200000000 ] - [ -0.0002658000000000, -0.0001241600000000, -0.0006926200000000 ] - [ -0.0004273300000000, 0.0002618900000000, 0.0008800400000000 ] - [ -0.0001710200000000, 0.0000485800000000, 0.0007659600000000 ] - [ 0.0000276500000000, -0.0028706200000000, -0.0005160200000000 ] - [ -0.0000276500000000, -0.0028706200000000, -0.0005160200000000 ] - [ 0.0000000000000000, 0.0011376200000000, 0.0004746700000000 ] - [ 0.0000000000000000, 0.0007622900000000, 0.0005445200000000 ] - [ -0.0000283100000000, 0.0007145000000000, -0.0006224500000000 ] - [ 0.0000283100000000, 0.0007145000000000, -0.0006224500000000 ] - [ 0.0000000000000000, -0.0025044300000000, 0.0004792100000000 ] - [ 0.0000000000000000, -0.0008318600000000, 0.0005398200000000 ] - [ 0.0000000000000000, -0.0083821600000000, -0.0011687100000000 ] - [ 0.0000000000000000, -0.0011309900000000, -0.0008612700000000 ] - [ -0.0003327900000000, 0.0009150500000000, 0.0006483500000000 ] - [ 0.0003327900000000, 0.0009150500000000, 0.0006483500000000 ] - [ -0.0006725500000000, 0.0004803600000000, 0.0006657200000000 ] - [ 0.0002121800000000, -0.0002736300000000, 0.0001866800000000 ] - [ 0.0000022500000000, 0.0001168900000000, -0.0002634800000000 ] - [ -0.0000642500000000, 0.0003373900000000, -0.0000887300000000 ] - [ -0.0000022500000000, 0.0001168900000000, -0.0002634800000000 ] - [ 0.0000642500000000, 0.0003373900000000, -0.0000887300000000 ] - [ 0.0006725500000000, 0.0004803600000000, 0.0006657200000000 ] - [ -0.0002121800000000, -0.0002736300000000, 0.0001866800000000 ] - [ -0.0005121800000000, -0.0010802800000000, 0.0015722600000000 ] - [ 0.0005121800000000, -0.0010802800000000, 0.0015722600000000 ] - [ 0.0000000000000000, 0.0008003000000000, -0.0011197100000000 ] - [ 0.0000000000000000, 0.0008487200000000, -0.0010587200000000 ] - [ -0.0003331300000000, 0.0009182000000000, 0.0008001400000000 ] - [ -0.0002296200000000, 0.0005449400000000, 0.0006457700000000 ] - [ -0.0003875600000000, -0.0027685000000000, -0.0006877500000000 ] - [ -0.0012046000000000, -0.0004589600000000, -0.0004195600000000 ] - [ 0.0004483400000000, -0.0004414800000000, -0.0000780000000000 ] - [ 0.0002188700000000, -0.0003477500000000, 0.0005228200000000 ] - [ 0.0002701000000000, 0.0004742800000000, -0.0006582200000000 ] - [ 0.0002904600000000, 0.0004091900000000, -0.0006678800000000 ] - [ 0.0003875600000000, -0.0027685000000000, -0.0006877500000000 ] - [ 0.0012046000000000, -0.0004589600000000, -0.0004195600000000 ] - [ 0.0003331300000000, 0.0009182000000000, 0.0008001400000000 ] - [ 0.0002296200000000, 0.0005449400000000, 0.0006457700000000 ] - [ -0.0002701000000000, 0.0004742800000000, -0.0006582200000000 ] - [ -0.0002904600000000, 0.0004091900000000, -0.0006678800000000 ] - [ -0.0004483400000000, -0.0004414800000000, -0.0000780000000000 ] - [ -0.0002188700000000, -0.0003477500000000, 0.0005228200000000 ] - [ 0.0000000000000000, 0.0007679000000000, -0.0005768900000000 ] - [ 0.0000000000000000, -0.0000653900000000, -0.0005572000000000 ] - [ 0.0001275200000000, -0.0003419700000000, 0.0008132100000000 ] - [ -0.0001275200000000, -0.0003419700000000, 0.0008132100000000 ] - [ 0.0000000000000000, 0.0001154200000000, -0.0004774800000000 ] - [ 0.0000000000000000, 0.0003038500000000, -0.0006014700000000 ] - [ -0.0000647900000000, -0.0000284200000000, 0.0006834000000000 ] - [ 0.0000647900000000, -0.0000284200000000, 0.0006834000000000 ] - [ 0.0007997100000000, 0.0000867500000000, -0.0010089100000000 ] - [ -0.0007997100000000, 0.0000867500000000, -0.0010089100000000 ] - [ 0.0000000000000000, 0.0012996300000000, 0.0014574000000000 ] - [ 0.0000000000000000, 0.0010138100000000, 0.0011281600000000 ] - [ -0.0006806100000000, -0.0015872500000000, -0.0005251500000000 ] - [ 0.0006052900000000, -0.0008373300000000, -0.0002284900000000 ] - [ 0.0000224400000000, 0.0009534500000000, 0.0000640400000000 ] - [ -0.0000248200000000, 0.0008771600000000, 0.0000334100000000 ] - [ -0.0000224400000000, 0.0009534500000000, 0.0000640400000000 ] - [ 0.0000248200000000, 0.0008771600000000, 0.0000334100000000 ] - [ 0.0006806100000000, -0.0015872500000000, -0.0005251500000000 ] - [ -0.0006052900000000, -0.0008373300000000, -0.0002284900000000 ] - [ 0.0000000000000000, 0.0001608200000000, 0.0001961500000000 ] - [ 0.0000000000000000, -0.0007185500000000, 0.0009204500000000 ] - [ 0.0000517200000000, 0.0010038000000000, -0.0010130000000000 ] - [ -0.0000517200000000, 0.0010038000000000, -0.0010130000000000 ] - [ 0.0000000000000000, -0.0055113200000000, -0.0000228700000000 ] - [ 0.0000000000000000, -0.0011135900000000, 0.0001400500000000 ] - [ 0.0005871600000000, 0.0013001000000000, 0.0005079500000000 ] - [ -0.0005871600000000, 0.0013001000000000, 0.0005079500000000 ] - [ 0.0000000000000000, 0.0012460100000000, 0.0004171100000000 ] - [ 0.0000000000000000, 0.0008263300000000, 0.0003503700000000 ] - [ 0.0005600000000000, -0.0011667100000000, -0.0008464000000000 ] - [ -0.0005600000000000, -0.0011667100000000, -0.0008464000000000 ] - [ -0.0016814900000000, 0.0034874200000000, -0.0015178800000000 ] - [ 0.0016814900000000, 0.0034874200000000, -0.0015178800000000 ] - [ 0.0000000000000000, 0.0009045700000000, 0.0006569600000000 ] - [ 0.0000000000000000, 0.0003772500000000, 0.0001398100000000 ] - [ -0.0047400200000000, -0.0012950800000000, 0.0004228500000000 ] - [ 0.0047400200000000, -0.0012950800000000, 0.0004228500000000 ] - [ 0.0000000000000000, -0.0004767100000000, -0.0004550700000000 ] - [ 0.0000000000000000, -0.0000389300000000, -0.0002665600000000 ] - [ -0.0000319500000000, 0.0000227300000000, 0.0002326100000000 ] - [ 0.0000319500000000, 0.0000227300000000, 0.0002326100000000 ] - [ 0.0000000000000000, -0.0022161300000000, 0.0057643900000000 ] - [ 0.0000000000000000, -0.0002603300000000, 0.0001713500000000 ] - [ 0.0000000000000000, -0.0017724100000000, 0.0002473900000000 ] - [ 0.0000000000000000, -0.0007551200000000, 0.0001309600000000 ] - [ 0.0000882300000000, -0.0005585500000000, -0.0000985600000000 ] - [ -0.0000882300000000, -0.0005585500000000, -0.0000985600000000 ] - [ 0.0029961700000000, -0.0014099600000000, 0.0005074000000000 ] - [ -0.0029961700000000, -0.0014099600000000, 0.0005074000000000 ] - [ 0.0000000000000000, -0.0003890700000000, 0.0019148500000000 ] - [ 0.0000000000000000, 0.0004544300000000, 0.0001135300000000 ] - [ 0.0001367000000000, 0.0004643500000000, 0.0001164300000000 ] - [ -0.0001367000000000, 0.0004643500000000, 0.0001164300000000 ] - [ 0.0000000000000000, -0.0006898200000000, -0.0021220200000000 ] - [ 0.0000000000000000, -0.0001948200000000, -0.0003200400000000 ] - [ 0.0000000000000000, 0.0291193600000000, -0.0020905400000000 ] - [ 0.0000000000000000, 0.0012903000000000, -0.0003092100000000 ] - [ 0.0001293400000000, -0.0010011700000000, 0.0004203000000000 ] - [ -0.0001293400000000, -0.0010011700000000, 0.0004203000000000 ] - [ 0.0000000000000000, -0.0008560500000000, -0.0001999000000000 ] - [ 0.0000000000000000, -0.0006884000000000, -0.0001997200000000 ] - [ -0.0001812100000000, 0.0018159500000000, 0.0004182000000000 ] - [ 0.0001812100000000, 0.0018159500000000, 0.0004182000000000 ] - [ 0.0000000000000000, -0.0039368900000000, -0.0003939300000000 ] - [ 0.0000000000000000, -0.0007147100000000, 0.0000648400000000 ] - [ -0.0003558800000000, -0.0001368300000000, -0.0005999200000000 ] - [ 0.0003558800000000, -0.0001368300000000, -0.0005999200000000 ] - [ 0.0000000000000000, 0.0001358800000000, 0.0002569100000000 ] - [ 0.0000000000000000, 0.0002650800000000, 0.0001853400000000 ] - [ -0.0003948800000000, -0.0008829700000000, 0.0003532500000000 ] - [ 0.0003948800000000, -0.0008829700000000, 0.0003532500000000 ] - [ 0.0000111400000000, -0.0004895400000000, -0.0001656500000000 ] - [ -0.0000111400000000, -0.0004895400000000, -0.0001656500000000 ] - [ 0.0000000000000000, 0.0007327600000000, -0.0018058300000000 ] - [ 0.0000000000000000, -0.0001279300000000, 0.0000623900000000 ] - [ -0.0000881000000000, -0.0002142500000000, -0.0001459100000000 ] - [ 0.0000881000000000, -0.0002142500000000, -0.0001459100000000 ] - [ 0.0000000000000000, -0.0004357500000000, 0.0001451700000000 ] - [ 0.0000000000000000, 0.0000415300000000, 0.0001566100000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003431900000000, -0.0000602300000000, 0.0022421600000000 ] - [ 0.0007707500000000, 0.0002344600000000, 0.0008579800000000 ] - [ -0.0002338600000000, 0.0000630100000000, -0.0003083100000000 ] - [ -0.0003043500000000, -0.0000507100000000, -0.0005105600000000 ] - [ 0.0000696000000000, -0.0004492600000000, 0.0004361100000000 ] - [ 0.0003404300000000, -0.0002405200000000, 0.0005287100000000 ] - [ 0.0004932400000000, -0.0001050900000000, -0.0019438300000000 ] - [ 0.0001108700000000, 0.0000514300000000, -0.0011765600000000 ] - [ 0.0002338600000000, 0.0000630100000000, -0.0003083100000000 ] - [ 0.0003043500000000, -0.0000507100000000, -0.0005105600000000 ] - [ 0.0003431900000000, -0.0000602300000000, 0.0022421600000000 ] - [ -0.0007707500000000, 0.0002344600000000, 0.0008579800000000 ] - [ -0.0004932400000000, -0.0001050900000000, -0.0019438300000000 ] - [ -0.0001108700000000, 0.0000514300000000, -0.0011765600000000 ] - [ -0.0000696000000000, -0.0004492600000000, 0.0004361100000000 ] - [ -0.0003404300000000, -0.0002405200000000, 0.0005287100000000 ] - [ -0.0001234800000000, -0.0006256800000000, 0.0015809000000000 ] - [ 0.0001234800000000, -0.0006256800000000, 0.0015809000000000 ] - [ 0.0000000000000000, 0.0007948200000000, 0.0005020000000000 ] - [ 0.0000000000000000, 0.0005704500000000, 0.0005411000000000 ] - [ 0.0000051700000000, 0.0005065100000000, -0.0008265000000000 ] - [ -0.0000051700000000, 0.0005065100000000, -0.0008265000000000 ] - [ 0.0000000000000000, -0.0009924100000000, 0.0051386900000000 ] - [ 0.0000000000000000, -0.0004272300000000, 0.0007112600000000 ] - [ 0.0000000000000000, -0.0006603500000000, 0.0004754400000000 ] - [ 0.0000000000000000, -0.0009210800000000, -0.0007566800000000 ] - [ -0.0004665700000000, 0.0014591300000000, 0.0006433800000000 ] - [ 0.0004665700000000, 0.0014591300000000, 0.0006433800000000 ] - [ 0.0000874600000000, -0.0008051700000000, 0.0003838600000000 ] - [ -0.0000643700000000, -0.0006480800000000, 0.0002712000000000 ] - [ 0.0001018500000000, 0.0008038700000000, -0.0011816900000000 ] - [ -0.0002532000000000, 0.0006618000000000, -0.0004888500000000 ] - [ -0.0001018500000000, 0.0008038700000000, -0.0011816900000000 ] - [ 0.0002532000000000, 0.0006618000000000, -0.0004888500000000 ] - [ -0.0000874600000000, -0.0008051700000000, 0.0003838600000000 ] - [ 0.0000643700000000, -0.0006480800000000, 0.0002712000000000 ] - [ 0.0004175500000000, -0.0015539500000000, 0.0010849900000000 ] - [ -0.0004175500000000, -0.0015539500000000, 0.0010849900000000 ] - [ 0.0000000000000000, 0.0009325900000000, -0.0017868300000000 ] - [ 0.0000000000000000, 0.0009260700000000, -0.0013027100000000 ] - [ -0.0002467200000000, 0.0000978800000000, 0.0007895900000000 ] - [ -0.0003143100000000, 0.0001104300000000, 0.0007475800000000 ] - [ 0.0000692800000000, 0.0001695700000000, 0.0018317200000000 ] - [ 0.0002360000000000, -0.0003163500000000, -0.0001626700000000 ] - [ 0.0009278300000000, 0.0007048700000000, -0.0006428100000000 ] - [ 0.0001077000000000, 0.0000595400000000, 0.0003451800000000 ] - [ 0.0002570500000000, 0.0001937300000000, -0.0008397700000000 ] - [ 0.0002998800000000, 0.0001981300000000, -0.0008040100000000 ] - [ -0.0000692800000000, 0.0001695700000000, 0.0018317200000000 ] - [ -0.0002360000000000, -0.0003163500000000, -0.0001626700000000 ] - [ 0.0002467200000000, 0.0000978800000000, 0.0007895900000000 ] - [ 0.0003143100000000, 0.0001104300000000, 0.0007475800000000 ] - [ -0.0002570500000000, 0.0001937300000000, -0.0008397700000000 ] - [ -0.0002998800000000, 0.0001981300000000, -0.0008040100000000 ] - [ -0.0009278300000000, 0.0007048700000000, -0.0006428100000000 ] - [ -0.0001077000000000, 0.0000595400000000, 0.0003451800000000 ] - [ 0.0000000000000000, -0.0004961000000000, -0.0003141300000000 ] - [ 0.0000000000000000, -0.0004752100000000, -0.0004317900000000 ] - [ -0.0008516800000000, 0.0000283100000000, -0.0001889000000000 ] - [ 0.0008516800000000, 0.0000283100000000, -0.0001889000000000 ] - [ 0.0000000000000000, 0.0006179700000000, -0.0020349000000000 ] - [ 0.0000000000000000, 0.0005200700000000, -0.0010207000000000 ] - [ 0.0000570500000000, -0.0004847100000000, 0.0006873400000000 ] - [ -0.0000570500000000, -0.0004847100000000, 0.0006873400000000 ] - [ 0.0000631800000000, -0.0008250900000000, -0.0004022600000000 ] - [ -0.0000631800000000, -0.0008250900000000, -0.0004022600000000 ] - [ 0.0000000000000000, 0.0000986500000000, 0.0008595500000000 ] - [ 0.0000000000000000, 0.0007913200000000, 0.0009491000000000 ] - [ -0.0009799700000000, 0.0000088900000000, 0.0018339400000000 ] - [ 0.0003197300000000, -0.0004758800000000, 0.0004086600000000 ] - [ -0.0000531100000000, 0.0005914900000000, -0.0002512000000000 ] - [ 0.0000200600000000, 0.0006151000000000, -0.0001813200000000 ] - [ 0.0000531100000000, 0.0005914900000000, -0.0002512000000000 ] - [ -0.0000200600000000, 0.0006151000000000, -0.0001813200000000 ] - [ 0.0009799700000000, 0.0000088900000000, 0.0018339400000000 ] - [ -0.0003197300000000, -0.0004758800000000, 0.0004086600000000 ] - [ 0.0000000000000000, 0.0000305800000000, 0.0008644400000000 ] - [ 0.0000000000000000, -0.0007706500000000, 0.0010922900000000 ] - [ 0.0000038200000000, 0.0009360800000000, -0.0013103800000000 ] - [ -0.0000038200000000, 0.0009360800000000, -0.0013103800000000 ] - [ 0.0000000000000000, -0.0003277200000000, -0.0006406200000000 ] - [ 0.0000000000000000, -0.0005489000000000, -0.0001571000000000 ] - [ 0.0016787700000000, 0.0000001400000000, 0.0016582700000000 ] - [ -0.0016787700000000, 0.0000001400000000, 0.0016582700000000 ] - [ 0.0000000000000000, 0.0004432100000000, 0.0022612700000000 ] - [ 0.0000000000000000, 0.0005264000000000, 0.0010581000000000 ] - [ -0.0002588100000000, -0.0000574400000000, -0.0004495100000000 ] - [ 0.0002588100000000, -0.0000574400000000, -0.0004495100000000 ] - [ 0.0049912500000000, 0.0014774800000000, -0.0002998700000000 ] - [ -0.0049912500000000, 0.0014774800000000, -0.0002998700000000 ] - [ 0.0000000000000000, -0.0005359800000000, 0.0041407500000000 ] - [ 0.0000000000000000, -0.0000499500000000, 0.0006621000000000 ] - [ -0.0006812900000000, -0.0006889000000000, -0.0028642700000000 ] - [ 0.0006812900000000, -0.0006889000000000, -0.0028642700000000 ] - [ 0.0000000000000000, 0.0007362000000000, -0.0000375300000000 ] - [ 0.0000000000000000, 0.0005504300000000, -0.0001004600000000 ] - [ 0.0000085400000000, 0.0004721400000000, 0.0006355800000000 ] - [ -0.0000085400000000, 0.0004721400000000, 0.0006355800000000 ] - [ 0.0000000000000000, -0.0066570400000000, 0.0035803400000000 ] - [ 0.0000000000000000, -0.0007816900000000, -0.0003531800000000 ] - [ 0.0000000000000000, -0.0002035800000000, -0.0002946900000000 ] - [ 0.0000000000000000, -0.0000633300000000, -0.0001610500000000 ] - [ -0.0000978600000000, 0.0000682500000000, 0.0002470700000000 ] - [ 0.0000978600000000, 0.0000682500000000, 0.0002470700000000 ] - [ 0.0003968800000000, -0.0008949400000000, -0.0010180400000000 ] - [ -0.0003968800000000, -0.0008949400000000, -0.0010180400000000 ] - [ 0.0000000000000000, -0.0016767500000000, 0.0010422000000000 ] - [ 0.0000000000000000, 0.0001666700000000, -0.0000908700000000 ] - [ -0.0000560000000000, 0.0004270200000000, 0.0006961700000000 ] - [ 0.0000560000000000, 0.0004270200000000, 0.0006961700000000 ] - [ 0.0000000000000000, 0.0015305400000000, 0.0009218300000000 ] - [ 0.0000000000000000, -0.0001301800000000, -0.0001376800000000 ] - [ 0.0000000000000000, 0.0013006800000000, -0.0270078300000000 ] - [ 0.0000000000000000, 0.0005939300000000, -0.0008719000000000 ] - [ 0.0001049800000000, -0.0006882200000000, 0.0002884100000000 ] - [ -0.0001049800000000, -0.0006882200000000, 0.0002884100000000 ] - [ 0.0000000000000000, -0.0004736600000000, 0.0001781200000000 ] - [ 0.0000000000000000, -0.0004735200000000, 0.0000084000000000 ] - [ -0.0023748500000000, 0.0006892300000000, 0.0012419400000000 ] - [ 0.0023748500000000, 0.0006892300000000, 0.0012419400000000 ] - [ 0.0000000000000000, -0.0000181200000000, -0.0010548800000000 ] - [ 0.0000000000000000, -0.0003500000000000, -0.0001725300000000 ] - [ 0.0002713200000000, 0.0008151400000000, -0.0000169300000000 ] - [ -0.0002713200000000, 0.0008151400000000, -0.0000169300000000 ] - [ 0.0000000000000000, 0.0002330900000000, 0.0007492900000000 ] - [ 0.0000000000000000, 0.0003086100000000, 0.0004190500000000 ] - [ -0.0003249800000000, -0.0008349800000000, 0.0000411700000000 ] - [ 0.0003249800000000, -0.0008349800000000, 0.0000411700000000 ] - [ 0.0000033800000000, 0.0004494300000000, -0.0004433400000000 ] - [ -0.0000033800000000, 0.0004494300000000, -0.0004433400000000 ] - [ 0.0000000000000000, 0.0015255700000000, 0.0042233400000000 ] - [ 0.0000000000000000, -0.0003294300000000, 0.0003803100000000 ] - [ 0.0000081800000000, -0.0004205100000000, 0.0006744700000000 ] - [ -0.0000081800000000, -0.0004205100000000, 0.0006744700000000 ] - [ 0.0000000000000000, 0.0004088400000000, 0.0001369700000000 ] - [ 0.0000000000000000, 0.0004214900000000, 0.0001425500000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002977400000000, 0.0003997400000000, -0.0010907300000000 ] - [ -0.0013092700000000, 0.0000623100000000, 0.0004326100000000 ] - [ -0.0003020600000000, -0.0003485200000000, -0.0009824600000000 ] - [ -0.0002332500000000, -0.0002360200000000, -0.0007778700000000 ] - [ 0.0004654200000000, 0.0001591000000000, 0.0008593200000000 ] - [ 0.0001962800000000, -0.0000483900000000, 0.0007668600000000 ] - [ 0.0000462800000000, 0.0003992000000000, 0.0006510600000000 ] - [ 0.0004243600000000, 0.0002447800000000, -0.0001113300000000 ] - [ 0.0003020600000000, -0.0003485200000000, -0.0009824600000000 ] - [ 0.0002332500000000, -0.0002360200000000, -0.0007778700000000 ] - [ 0.0002977400000000, 0.0003997400000000, -0.0010907300000000 ] - [ 0.0013092700000000, 0.0000623100000000, 0.0004326100000000 ] - [ -0.0000462800000000, 0.0003992000000000, 0.0006510600000000 ] - [ -0.0004243600000000, 0.0002447800000000, -0.0001113300000000 ] - [ -0.0004654200000000, 0.0001591000000000, 0.0008593200000000 ] - [ -0.0001962800000000, -0.0000483900000000, 0.0007668600000000 ] - [ 0.0001123400000000, -0.0003838600000000, -0.0027863300000000 ] - [ -0.0001123400000000, -0.0003838600000000, -0.0027863300000000 ] - [ 0.0000000000000000, 0.0002172000000000, 0.0007079300000000 ] - [ 0.0000000000000000, 0.0004431000000000, 0.0006696900000000 ] - [ -0.0000048800000000, 0.0005076800000000, -0.0003772300000000 ] - [ 0.0000048800000000, 0.0005076800000000, -0.0003772300000000 ] - [ 0.0000000000000000, -0.0000661700000000, -0.0035547500000000 ] - [ 0.0000000000000000, -0.0005784000000000, 0.0005019900000000 ] - [ 0.0000000000000000, -0.0011791200000000, -0.0025285900000000 ] - [ 0.0000000000000000, -0.0009195700000000, -0.0012949700000000 ] - [ 0.0004685900000000, 0.0003890000000000, 0.0014152300000000 ] - [ -0.0004685900000000, 0.0003890000000000, 0.0014152300000000 ] - [ -0.0000890100000000, -0.0004463300000000, -0.0003752600000000 ] - [ 0.0000649500000000, -0.0006051700000000, -0.0002654000000000 ] - [ -0.0001042900000000, 0.0004568700000000, 0.0011858200000000 ] - [ 0.0002544300000000, 0.0006002100000000, 0.0004914400000000 ] - [ 0.0001042900000000, 0.0004568700000000, 0.0011858200000000 ] - [ -0.0002544300000000, 0.0006002100000000, 0.0004914400000000 ] - [ 0.0000890100000000, -0.0004463300000000, -0.0003752600000000 ] - [ -0.0000649500000000, -0.0006051700000000, -0.0002654000000000 ] - [ -0.0004161000000000, -0.0002904100000000, 0.0009796100000000 ] - [ 0.0004161000000000, -0.0002904100000000, 0.0009796100000000 ] - [ 0.0000000000000000, 0.0009147200000000, -0.0002672000000000 ] - [ 0.0000000000000000, 0.0009231200000000, -0.0007512400000000 ] - [ -0.0002894000000000, 0.0001995700000000, 0.0005037500000000 ] - [ -0.0002221100000000, 0.0001870300000000, 0.0005465500000000 ] - [ -0.0006496600000000, -0.0005089600000000, -0.0031467000000000 ] - [ -0.0007687700000000, 0.0000253500000000, -0.0011280600000000 ] - [ -0.0003853000000000, -0.0009851500000000, 0.0019316000000000 ] - [ 0.0004275800000000, -0.0003466900000000, 0.0009503600000000 ] - [ 0.0002785700000000, 0.0001037800000000, -0.0004473300000000 ] - [ 0.0002366900000000, 0.0000990300000000, -0.0004831400000000 ] - [ 0.0006496600000000, -0.0005089600000000, -0.0031467000000000 ] - [ 0.0007687700000000, 0.0000253500000000, -0.0011280600000000 ] - [ 0.0002894000000000, 0.0001995700000000, 0.0005037500000000 ] - [ 0.0002221100000000, 0.0001870300000000, 0.0005465500000000 ] - [ -0.0002785700000000, 0.0001037800000000, -0.0004473300000000 ] - [ -0.0002366900000000, 0.0000990300000000, -0.0004831400000000 ] - [ 0.0003853000000000, -0.0009851500000000, 0.0019316000000000 ] - [ -0.0004275800000000, -0.0003466900000000, 0.0009503600000000 ] - [ 0.0000000000000000, -0.0005079400000000, -0.0008892600000000 ] - [ 0.0000000000000000, -0.0005290700000000, -0.0007717200000000 ] - [ 0.0008559000000000, 0.0009861300000000, 0.0013985700000000 ] - [ -0.0008559000000000, 0.0009861300000000, 0.0013985700000000 ] - [ 0.0000000000000000, 0.0003973200000000, 0.0008311100000000 ] - [ 0.0000000000000000, 0.0004947200000000, -0.0001831800000000 ] - [ -0.0000569800000000, -0.0005210900000000, 0.0005247100000000 ] - [ 0.0000569800000000, -0.0005210900000000, 0.0005247100000000 ] - [ -0.0000640900000000, -0.0010180000000000, -0.0016491100000000 ] - [ 0.0000640900000000, -0.0010180000000000, -0.0016491100000000 ] - [ 0.0000000000000000, 0.0017562400000000, 0.0011989800000000 ] - [ 0.0000000000000000, 0.0010587300000000, 0.0011105200000000 ] - [ 0.0009974400000000, -0.0012971200000000, -0.0017916700000000 ] - [ -0.0003205300000000, -0.0007790000000000, -0.0004009300000000 ] - [ 0.0000537900000000, 0.0006715300000000, 0.0002540500000000 ] - [ -0.0000200100000000, 0.0006476400000000, 0.0001843200000000 ] - [ -0.0000537900000000, 0.0006715300000000, 0.0002540500000000 ] - [ 0.0000200100000000, 0.0006476400000000, 0.0001843200000000 ] - [ -0.0009974400000000, -0.0012971200000000, -0.0017916700000000 ] - [ 0.0003205300000000, -0.0007790000000000, -0.0004009300000000 ] - [ 0.0000000000000000, -0.0018678200000000, 0.0011990700000000 ] - [ 0.0000000000000000, -0.0010706300000000, 0.0009698000000000 ] - [ -0.0000030900000000, 0.0009155900000000, -0.0007436400000000 ] - [ 0.0000030900000000, 0.0009155900000000, -0.0007436400000000 ] - [ 0.0000000000000000, -0.0006377200000000, 0.0010988600000000 ] - [ 0.0000000000000000, -0.0004028000000000, 0.0006163500000000 ] - [ -0.0016872100000000, 0.0009608700000000, -0.0021118300000000 ] - [ 0.0016872100000000, 0.0009608700000000, -0.0021118300000000 ] - [ 0.0000000000000000, 0.0005264600000000, -0.0018010800000000 ] - [ 0.0000000000000000, 0.0004408900000000, -0.0005987500000000 ] - [ 0.0002586800000000, -0.0009000200000000, -0.0000051400000000 ] - [ -0.0002586800000000, -0.0009000200000000, -0.0000051400000000 ] - [ -0.0050078100000000, -0.0014810700000000, 0.0003281100000000 ] - [ 0.0050078100000000, -0.0014810700000000, 0.0003281100000000 ] - [ 0.0000000000000000, 0.0005330900000000, -0.0041042500000000 ] - [ 0.0000000000000000, 0.0000535700000000, -0.0006583800000000 ] - [ 0.0006939300000000, -0.0002438000000000, 0.0033164700000000 ] - [ -0.0006939300000000, -0.0002438000000000, 0.0033164700000000 ] - [ 0.0000000000000000, 0.0002209900000000, -0.0004128900000000 ] - [ 0.0000000000000000, 0.0004067200000000, -0.0003503400000000 ] - [ -0.0000093000000000, 0.0004936600000000, -0.0001774200000000 ] - [ 0.0000093000000000, 0.0004936600000000, -0.0001774200000000 ] - [ 0.0000000000000000, 0.0056246500000000, -0.0040150500000000 ] - [ 0.0000000000000000, -0.0001778900000000, -0.0001013000000000 ] - [ 0.0000000000000000, 0.0002063800000000, 0.0003023400000000 ] - [ 0.0000000000000000, 0.0000660900000000, 0.0001661800000000 ] - [ 0.0000970300000000, -0.0000636800000000, -0.0002441600000000 ] - [ -0.0000970300000000, -0.0000636800000000, -0.0002441600000000 ] - [ -0.0003846400000000, 0.0001435800000000, 0.0013054300000000 ] - [ 0.0003846400000000, 0.0001435800000000, 0.0013054300000000 ] - [ 0.0000000000000000, 0.0024411300000000, -0.0013166700000000 ] - [ 0.0000000000000000, 0.0005836800000000, -0.0001810800000000 ] - [ 0.0000543200000000, 0.0003244300000000, -0.0004138800000000 ] - [ -0.0000543200000000, 0.0003244300000000, -0.0004138800000000 ] - [ 0.0000000000000000, -0.0022542800000000, -0.0011968900000000 ] - [ 0.0000000000000000, -0.0006096900000000, -0.0001386400000000 ] - [ 0.0000000000000000, -0.0006899000000000, 0.0259787100000000 ] - [ 0.0000000000000000, 0.0003790400000000, 0.0004766100000000 ] - [ -0.0001054200000000, -0.0002757900000000, 0.0001150800000000 ] - [ 0.0001054200000000, -0.0002757900000000, 0.0001150800000000 ] - [ 0.0000000000000000, -0.0004782700000000, -0.0005715700000000 ] - [ 0.0000000000000000, -0.0004790300000000, -0.0004020100000000 ] - [ 0.0023536300000000, 0.0002740200000000, -0.0008424500000000 ] - [ -0.0023536300000000, 0.0002740200000000, -0.0008424500000000 ] - [ 0.0000000000000000, -0.0007146700000000, 0.0013379900000000 ] - [ 0.0000000000000000, -0.0003908000000000, 0.0004544000000000 ] - [ -0.0002718900000000, -0.0000651900000000, -0.0002549100000000 ] - [ 0.0002718900000000, -0.0000651900000000, -0.0002549100000000 ] - [ 0.0000000000000000, 0.0005136600000000, -0.0004666600000000 ] - [ 0.0000000000000000, 0.0004401700000000, -0.0001369600000000 ] - [ 0.0003241300000000, 0.0000915300000000, -0.0003176900000000 ] - [ -0.0003241300000000, 0.0000915300000000, -0.0003176900000000 ] - [ -0.0000029200000000, 0.0005224400000000, 0.0000489800000000 ] - [ 0.0000029200000000, 0.0005224400000000, 0.0000489800000000 ] - [ 0.0000000000000000, -0.0025191100000000, -0.0038672300000000 ] - [ 0.0000000000000000, -0.0006350900000000, 0.0000238700000000 ] - [ -0.0000107800000000, -0.0005333100000000, -0.0010671200000000 ] - [ 0.0000107800000000, -0.0005333100000000, -0.0010671200000000 ] - [ 0.0000000000000000, 0.0005519000000000, 0.0002622400000000 ] - [ 0.0000000000000000, 0.0005394400000000, 0.0002577200000000 ]