# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/3b6b517c-1ccd-498d-bc4a-062413c5cc80/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 Zn3P2H2O9 / P2_1/c (14) / materials id 554552](https://mdr.nims.go.jp/datasets/3bb8fe45-5db4-4e17-93e1-c50c94deb558) ## 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: "P2_1/c" number: 14 Hall_symbol: "-P 2ybc"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 8.694991809999999, 0.000000000000000, -0.026341720000000 ] # a - [ 0.000000000000000, 4.867804040000000, 0.000000000000000 ] # b - [ -1.565582980000000, 0.000000000000000, 16.693744809999998 ] # c points: - symbol: Zn # 1 coordinates: [ 0.077737120000000, 0.010585730000000, 0.179611680000000 ] mass: 65.380000 - symbol: Zn # 2 coordinates: [ 0.432097910000000, 0.294483140000000, 0.152752700000000 ] mass: 65.380000 - symbol: Zn # 3 coordinates: [ 0.670325100000000, 0.703188070000000, 0.056706670000000 ] mass: 65.380000 - symbol: Zn # 4 coordinates: [ 0.922262880000000, 0.510585730000000, 0.320388320000000 ] mass: 65.380000 - symbol: Zn # 5 coordinates: [ 0.670325100000000, 0.796811930000000, 0.556706670000000 ] mass: 65.380000 - symbol: Zn # 6 coordinates: [ 0.329674900000000, 0.296811930000000, 0.943293330000000 ] mass: 65.380000 - symbol: Zn # 7 coordinates: [ 0.567902090000000, 0.705516860000000, 0.847247300000000 ] mass: 65.380000 - symbol: Zn # 8 coordinates: [ 0.077737120000000, 0.489414270000000, 0.679611680000000 ] mass: 65.380000 - symbol: Zn # 9 coordinates: [ 0.922262880000000, 0.989414270000000, 0.820388320000000 ] mass: 65.380000 - symbol: Zn # 10 coordinates: [ 0.567902090000000, 0.794483140000000, 0.347247300000000 ] mass: 65.380000 - symbol: Zn # 11 coordinates: [ 0.432097910000000, 0.205516860000000, 0.652752700000000 ] mass: 65.380000 - symbol: Zn # 12 coordinates: [ 0.329674900000000, 0.203188070000000, 0.443293330000000 ] mass: 65.380000 - symbol: P # 13 coordinates: [ 0.686750540000000, 0.210667750000000, 0.945531950000000 ] mass: 30.973762 - symbol: P # 14 coordinates: [ 0.762236170000000, 0.995444400000000, 0.218086240000000 ] mass: 30.973762 - symbol: P # 15 coordinates: [ 0.237763830000000, 0.004555600000000, 0.781913760000000 ] mass: 30.973762 - symbol: P # 16 coordinates: [ 0.313249460000000, 0.710667750000000, 0.554468050000000 ] mass: 30.973762 - symbol: P # 17 coordinates: [ 0.313249460000000, 0.789332250000000, 0.054468050000000 ] mass: 30.973762 - symbol: P # 18 coordinates: [ 0.686750540000000, 0.289332250000000, 0.445531950000000 ] mass: 30.973762 - symbol: P # 19 coordinates: [ 0.237763830000000, 0.495444400000000, 0.281913760000000 ] mass: 30.973762 - symbol: P # 20 coordinates: [ 0.762236170000000, 0.504555600000000, 0.718086240000000 ] mass: 30.973762 - symbol: H # 21 coordinates: [ 0.927382490000000, 0.957358060000000, 0.405617750000000 ] mass: 1.007940 - symbol: H # 22 coordinates: [ 0.085022930000000, 0.790399400000000, 0.433154840000000 ] mass: 1.007940 - symbol: H # 23 coordinates: [ 0.085022930000000, 0.709600600000000, 0.933154840000000 ] mass: 1.007940 - symbol: H # 24 coordinates: [ 0.914977070000000, 0.209600600000000, 0.566845160000000 ] mass: 1.007940 - symbol: H # 25 coordinates: [ 0.927382490000000, 0.542641940000000, 0.905617750000000 ] mass: 1.007940 - symbol: H # 26 coordinates: [ 0.072617510000000, 0.042641940000000, 0.594382250000000 ] mass: 1.007940 - symbol: H # 27 coordinates: [ 0.914977070000000, 0.290399400000000, 0.066845160000000 ] mass: 1.007940 - symbol: H # 28 coordinates: [ 0.072617510000000, 0.457358060000000, 0.094382250000000 ] mass: 1.007940 - symbol: O # 29 coordinates: [ 0.027216060000000, 0.270280750000000, 0.084518040000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.258348300000000, 0.266700570000000, 0.217186950000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.804653270000000, 0.649691990000000, 0.640954800000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.741651700000000, 0.766700570000000, 0.282813050000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.613410050000000, 0.337719250000000, 0.710302900000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.804653270000000, 0.850308010000000, 0.140954800000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.819041820000000, 0.250810350000000, 0.393829040000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.093911780000000, 0.824372480000000, 0.756564590000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.195346730000000, 0.149691990000000, 0.859045200000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.359860090000000, 0.099058980000000, 0.047438500000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.180958180000000, 0.749189650000000, 0.606170960000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.537775170000000, 0.143117760000000, 0.404442320000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.027216060000000, 0.229719250000000, 0.584518040000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.537775170000000, 0.356882240000000, 0.904442320000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.724997080000000, 0.328612250000000, 0.030392110000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.613410050000000, 0.162280750000000, 0.210302900000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.359860090000000, 0.400941020000000, 0.547438500000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.195346730000000, 0.350308010000000, 0.359045200000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.180958180000000, 0.750810350000000, 0.106170960000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.640139910000000, 0.900941020000000, 0.952561500000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.093911780000000, 0.675627520000000, 0.256564590000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.819041820000000, 0.249189650000000, 0.893829040000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.724997080000000, 0.171387750000000, 0.530392110000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.741651700000000, 0.733299430000000, 0.782813050000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.258348300000000, 0.233299430000000, 0.717186950000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.906088220000000, 0.324372480000000, 0.743435410000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.906088220000000, 0.175627520000000, 0.243435410000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.972783940000000, 0.729719250000000, 0.915481960000000 ] mass: 15.999400 - symbol: O # 57 coordinates: [ 0.386589950000000, 0.662280750000000, 0.289697100000000 ] mass: 15.999400 - symbol: O # 58 coordinates: [ 0.462224830000000, 0.643117760000000, 0.095557680000000 ] mass: 15.999400 - symbol: O # 59 coordinates: [ 0.386589950000000, 0.837719250000000, 0.789697100000000 ] mass: 15.999400 - symbol: O # 60 coordinates: [ 0.972783940000000, 0.770280750000000, 0.415481960000000 ] mass: 15.999400 - symbol: O # 61 coordinates: [ 0.275002920000000, 0.828612250000000, 0.469607890000000 ] mass: 15.999400 - symbol: O # 62 coordinates: [ 0.462224830000000, 0.856882240000000, 0.595557680000000 ] mass: 15.999400 - symbol: O # 63 coordinates: [ 0.275002920000000, 0.671387750000000, 0.969607890000000 ] mass: 15.999400 - symbol: O # 64 coordinates: [ 0.640139910000000, 0.599058980000000, 0.452561500000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.115041419202875, 0.000000000000000, 0.010788884695972 ] # a* - [ 0.000000000000000, 0.205431441319893, 0.000000000000000 ] # b* - [ 0.000181528404054, 0.000000000000000, 0.059919701011637 ] # c*unit_cell: lattice: - [ 8.694991809999999, 0.000000000000000, -0.026341720000000 ] # a - [ 0.000000000000000, 4.867804040000000, 0.000000000000000 ] # b - [ -1.565582980000000, 0.000000000000000, 16.693744809999998 ] # c points: - symbol: Zn # 1 coordinates: [ 0.077737120000000, 0.010585730000000, 0.179611680000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 2 coordinates: [ 0.432097910000000, 0.294483140000000, 0.152752700000000 ] mass: 65.380000 reduced_to: 2 - symbol: Zn # 3 coordinates: [ 0.670325100000000, 0.703188070000000, 0.056706670000000 ] mass: 65.380000 reduced_to: 3 - symbol: Zn # 4 coordinates: [ 0.922262880000000, 0.510585730000000, 0.320388320000000 ] mass: 65.380000 reduced_to: 4 - symbol: Zn # 5 coordinates: [ 0.670325100000000, 0.796811930000000, 0.556706670000000 ] mass: 65.380000 reduced_to: 5 - symbol: Zn # 6 coordinates: [ 0.329674900000000, 0.296811930000000, 0.943293330000000 ] mass: 65.380000 reduced_to: 6 - symbol: Zn # 7 coordinates: [ 0.567902090000000, 0.705516860000000, 0.847247300000000 ] mass: 65.380000 reduced_to: 7 - symbol: Zn # 8 coordinates: [ 0.077737120000000, 0.489414270000000, 0.679611680000000 ] mass: 65.380000 reduced_to: 8 - symbol: Zn # 9 coordinates: [ 0.922262880000000, 0.989414270000000, 0.820388320000000 ] mass: 65.380000 reduced_to: 9 - symbol: Zn # 10 coordinates: [ 0.567902090000000, 0.794483140000000, 0.347247300000000 ] mass: 65.380000 reduced_to: 10 - symbol: Zn # 11 coordinates: [ 0.432097910000000, 0.205516860000000, 0.652752700000000 ] mass: 65.380000 reduced_to: 11 - symbol: Zn # 12 coordinates: [ 0.329674900000000, 0.203188070000000, 0.443293330000000 ] mass: 65.380000 reduced_to: 12 - symbol: P # 13 coordinates: [ 0.686750540000000, 0.210667750000000, 0.945531950000000 ] mass: 30.973762 reduced_to: 13 - symbol: P # 14 coordinates: [ 0.762236170000000, 0.995444400000000, 0.218086240000000 ] mass: 30.973762 reduced_to: 14 - symbol: P # 15 coordinates: [ 0.237763830000000, 0.004555600000000, 0.781913760000000 ] mass: 30.973762 reduced_to: 15 - symbol: P # 16 coordinates: [ 0.313249460000000, 0.710667750000000, 0.554468050000000 ] mass: 30.973762 reduced_to: 16 - symbol: P # 17 coordinates: [ 0.313249460000000, 0.789332250000000, 0.054468050000000 ] mass: 30.973762 reduced_to: 17 - symbol: P # 18 coordinates: [ 0.686750540000000, 0.289332250000000, 0.445531950000000 ] mass: 30.973762 reduced_to: 18 - symbol: P # 19 coordinates: [ 0.237763830000000, 0.495444400000000, 0.281913760000000 ] mass: 30.973762 reduced_to: 19 - symbol: P # 20 coordinates: [ 0.762236170000000, 0.504555600000000, 0.718086240000000 ] mass: 30.973762 reduced_to: 20 - symbol: H # 21 coordinates: [ 0.927382490000000, 0.957358060000000, 0.405617750000000 ] mass: 1.007940 reduced_to: 21 - symbol: H # 22 coordinates: [ 0.085022930000000, 0.790399400000000, 0.433154840000000 ] mass: 1.007940 reduced_to: 22 - symbol: H # 23 coordinates: [ 0.085022930000000, 0.709600600000000, 0.933154840000000 ] mass: 1.007940 reduced_to: 23 - symbol: H # 24 coordinates: [ 0.914977070000000, 0.209600600000000, 0.566845160000000 ] mass: 1.007940 reduced_to: 24 - symbol: H # 25 coordinates: [ 0.927382490000000, 0.542641940000000, 0.905617750000000 ] mass: 1.007940 reduced_to: 25 - symbol: H # 26 coordinates: [ 0.072617510000000, 0.042641940000000, 0.594382250000000 ] mass: 1.007940 reduced_to: 26 - symbol: H # 27 coordinates: [ 0.914977070000000, 0.290399400000000, 0.066845160000000 ] mass: 1.007940 reduced_to: 27 - symbol: H # 28 coordinates: [ 0.072617510000000, 0.457358060000000, 0.094382250000000 ] mass: 1.007940 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.027216060000000, 0.270280750000000, 0.084518040000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.258348300000000, 0.266700570000000, 0.217186950000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.804653270000000, 0.649691990000000, 0.640954800000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.741651700000000, 0.766700570000000, 0.282813050000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.613410050000000, 0.337719250000000, 0.710302900000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.804653270000000, 0.850308010000000, 0.140954800000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.819041820000000, 0.250810350000000, 0.393829040000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.093911780000000, 0.824372480000000, 0.756564590000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.195346730000000, 0.149691990000000, 0.859045200000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.359860090000000, 0.099058980000000, 0.047438500000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.180958180000000, 0.749189650000000, 0.606170960000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.537775170000000, 0.143117760000000, 0.404442320000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.027216060000000, 0.229719250000000, 0.584518040000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.537775170000000, 0.356882240000000, 0.904442320000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.724997080000000, 0.328612250000000, 0.030392110000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.613410050000000, 0.162280750000000, 0.210302900000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.359860090000000, 0.400941020000000, 0.547438500000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.195346730000000, 0.350308010000000, 0.359045200000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.180958180000000, 0.750810350000000, 0.106170960000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.640139910000000, 0.900941020000000, 0.952561500000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.093911780000000, 0.675627520000000, 0.256564590000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.819041820000000, 0.249189650000000, 0.893829040000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.724997080000000, 0.171387750000000, 0.530392110000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.741651700000000, 0.733299430000000, 0.782813050000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.258348300000000, 0.233299430000000, 0.717186950000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.906088220000000, 0.324372480000000, 0.743435410000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.906088220000000, 0.175627520000000, 0.243435410000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.972783940000000, 0.729719250000000, 0.915481960000000 ] mass: 15.999400 reduced_to: 56 - symbol: O # 57 coordinates: [ 0.386589950000000, 0.662280750000000, 0.289697100000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.462224830000000, 0.643117760000000, 0.095557680000000 ] mass: 15.999400 reduced_to: 58 - symbol: O # 59 coordinates: [ 0.386589950000000, 0.837719250000000, 0.789697100000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.972783940000000, 0.770280750000000, 0.415481960000000 ] mass: 15.999400 reduced_to: 60 - symbol: O # 61 coordinates: [ 0.275002920000000, 0.828612250000000, 0.469607890000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.462224830000000, 0.856882240000000, 0.595557680000000 ] mass: 15.999400 reduced_to: 62 - symbol: O # 63 coordinates: [ 0.275002920000000, 0.671387750000000, 0.969607890000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.640139910000000, 0.599058980000000, 0.452561500000000 ] mass: 15.999400 reduced_to: 64supercell: lattice: - [ 8.694991809999999, 0.000000000000000, -0.026341720000000 ] # a - [ 0.000000000000000, 9.735608080000000, 0.000000000000000 ] # b - [ -1.565582980000000, 0.000000000000000, 16.693744809999998 ] # c points: - symbol: Zn # 1 coordinates: [ 0.077737120000000, 0.005292865000000, 0.179611680000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 2 coordinates: [ 0.077737120000000, 0.505292865000000, 0.179611680000000 ] mass: 65.380000 reduced_to: 1 - symbol: Zn # 3 coordinates: [ 0.432097910000000, 0.147241570000000, 0.152752700000000 ] mass: 65.380000 reduced_to: 3 - symbol: Zn # 4 coordinates: [ 0.432097910000000, 0.647241570000000, 0.152752700000000 ] mass: 65.380000 reduced_to: 3 - symbol: Zn # 5 coordinates: [ 0.670325100000000, 0.351594035000000, 0.056706670000000 ] mass: 65.380000 reduced_to: 5 - symbol: Zn # 6 coordinates: [ 0.670325100000000, 0.851594035000000, 0.056706670000000 ] mass: 65.380000 reduced_to: 5 - symbol: Zn # 7 coordinates: [ 0.922262880000000, 0.255292865000000, 0.320388320000000 ] mass: 65.380000 reduced_to: 7 - symbol: Zn # 8 coordinates: [ 0.922262880000000, 0.755292865000000, 0.320388320000000 ] mass: 65.380000 reduced_to: 7 - symbol: Zn # 9 coordinates: [ 0.670325100000000, 0.398405965000000, 0.556706670000000 ] mass: 65.380000 reduced_to: 9 - symbol: Zn # 10 coordinates: [ 0.670325100000000, 0.898405965000000, 0.556706670000000 ] mass: 65.380000 reduced_to: 9 - symbol: Zn # 11 coordinates: [ 0.329674900000000, 0.148405965000000, 0.943293330000000 ] mass: 65.380000 reduced_to: 11 - symbol: Zn # 12 coordinates: [ 0.329674900000000, 0.648405965000000, 0.943293330000000 ] mass: 65.380000 reduced_to: 11 - symbol: Zn # 13 coordinates: [ 0.567902090000000, 0.352758430000000, 0.847247300000000 ] mass: 65.380000 reduced_to: 13 - symbol: Zn # 14 coordinates: [ 0.567902090000000, 0.852758430000000, 0.847247300000000 ] mass: 65.380000 reduced_to: 13 - symbol: Zn # 15 coordinates: [ 0.077737120000000, 0.244707135000000, 0.679611680000000 ] mass: 65.380000 reduced_to: 15 - symbol: Zn # 16 coordinates: [ 0.077737120000000, 0.744707135000000, 0.679611680000000 ] mass: 65.380000 reduced_to: 15 - symbol: Zn # 17 coordinates: [ 0.922262880000000, 0.494707135000000, 0.820388320000000 ] mass: 65.380000 reduced_to: 17 - symbol: Zn # 18 coordinates: [ 0.922262880000000, 0.994707135000000, 0.820388320000000 ] mass: 65.380000 reduced_to: 17 - symbol: Zn # 19 coordinates: [ 0.567902090000000, 0.397241570000000, 0.347247300000000 ] mass: 65.380000 reduced_to: 19 - symbol: Zn # 20 coordinates: [ 0.567902090000000, 0.897241570000000, 0.347247300000000 ] mass: 65.380000 reduced_to: 19 - symbol: Zn # 21 coordinates: [ 0.432097910000000, 0.102758430000000, 0.652752700000000 ] mass: 65.380000 reduced_to: 21 - symbol: Zn # 22 coordinates: [ 0.432097910000000, 0.602758430000000, 0.652752700000000 ] mass: 65.380000 reduced_to: 21 - symbol: Zn # 23 coordinates: [ 0.329674900000000, 0.101594035000000, 0.443293330000000 ] mass: 65.380000 reduced_to: 23 - symbol: Zn # 24 coordinates: [ 0.329674900000000, 0.601594035000000, 0.443293330000000 ] mass: 65.380000 reduced_to: 23 - symbol: P # 25 coordinates: [ 0.686750540000000, 0.105333875000000, 0.945531950000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 26 coordinates: [ 0.686750540000000, 0.605333875000000, 0.945531950000000 ] mass: 30.973762 reduced_to: 25 - symbol: P # 27 coordinates: [ 0.762236170000000, 0.497722200000000, 0.218086240000000 ] mass: 30.973762 reduced_to: 27 - symbol: P # 28 coordinates: [ 0.762236170000000, 0.997722200000000, 0.218086240000000 ] mass: 30.973762 reduced_to: 27 - symbol: P # 29 coordinates: [ 0.237763830000000, 0.002277800000000, 0.781913760000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 30 coordinates: [ 0.237763830000000, 0.502277800000000, 0.781913760000000 ] mass: 30.973762 reduced_to: 29 - symbol: P # 31 coordinates: [ 0.313249460000000, 0.355333875000000, 0.554468050000000 ] mass: 30.973762 reduced_to: 31 - symbol: P # 32 coordinates: [ 0.313249460000000, 0.855333875000000, 0.554468050000000 ] mass: 30.973762 reduced_to: 31 - symbol: P # 33 coordinates: [ 0.313249460000000, 0.394666125000000, 0.054468050000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 34 coordinates: [ 0.313249460000000, 0.894666125000000, 0.054468050000000 ] mass: 30.973762 reduced_to: 33 - symbol: P # 35 coordinates: [ 0.686750540000000, 0.144666125000000, 0.445531950000000 ] mass: 30.973762 reduced_to: 35 - symbol: P # 36 coordinates: [ 0.686750540000000, 0.644666125000000, 0.445531950000000 ] mass: 30.973762 reduced_to: 35 - symbol: P # 37 coordinates: [ 0.237763830000000, 0.247722200000000, 0.281913760000000 ] mass: 30.973762 reduced_to: 37 - symbol: P # 38 coordinates: [ 0.237763830000000, 0.747722200000000, 0.281913760000000 ] mass: 30.973762 reduced_to: 37 - symbol: P # 39 coordinates: [ 0.762236170000000, 0.252277800000000, 0.718086240000000 ] mass: 30.973762 reduced_to: 39 - symbol: P # 40 coordinates: [ 0.762236170000000, 0.752277800000000, 0.718086240000000 ] mass: 30.973762 reduced_to: 39 - symbol: H # 41 coordinates: [ 0.927382490000000, 0.478679030000000, 0.405617750000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 42 coordinates: [ 0.927382490000000, 0.978679030000000, 0.405617750000000 ] mass: 1.007940 reduced_to: 41 - symbol: H # 43 coordinates: [ 0.085022930000000, 0.395199700000000, 0.433154840000000 ] mass: 1.007940 reduced_to: 43 - symbol: H # 44 coordinates: [ 0.085022930000000, 0.895199700000000, 0.433154840000000 ] mass: 1.007940 reduced_to: 43 - symbol: H # 45 coordinates: [ 0.085022930000000, 0.354800300000000, 0.933154840000000 ] mass: 1.007940 reduced_to: 45 - symbol: H # 46 coordinates: [ 0.085022930000000, 0.854800300000000, 0.933154840000000 ] mass: 1.007940 reduced_to: 45 - symbol: H # 47 coordinates: [ 0.914977070000000, 0.104800300000000, 0.566845160000000 ] mass: 1.007940 reduced_to: 47 - symbol: H # 48 coordinates: [ 0.914977070000000, 0.604800300000000, 0.566845160000000 ] mass: 1.007940 reduced_to: 47 - symbol: H # 49 coordinates: [ 0.927382490000000, 0.271320970000000, 0.905617750000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 50 coordinates: [ 0.927382490000000, 0.771320970000000, 0.905617750000000 ] mass: 1.007940 reduced_to: 49 - symbol: H # 51 coordinates: [ 0.072617510000000, 0.021320970000000, 0.594382250000000 ] mass: 1.007940 reduced_to: 51 - symbol: H # 52 coordinates: [ 0.072617510000000, 0.521320970000000, 0.594382250000000 ] mass: 1.007940 reduced_to: 51 - symbol: H # 53 coordinates: [ 0.914977070000000, 0.145199700000000, 0.066845160000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 54 coordinates: [ 0.914977070000000, 0.645199700000000, 0.066845160000000 ] mass: 1.007940 reduced_to: 53 - symbol: H # 55 coordinates: [ 0.072617510000000, 0.228679030000000, 0.094382250000000 ] mass: 1.007940 reduced_to: 55 - symbol: H # 56 coordinates: [ 0.072617510000000, 0.728679030000000, 0.094382250000000 ] mass: 1.007940 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.027216060000000, 0.135140375000000, 0.084518040000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.027216060000000, 0.635140375000000, 0.084518040000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.258348300000000, 0.133350285000000, 0.217186950000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.258348300000000, 0.633350285000000, 0.217186950000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.804653270000000, 0.324845995000000, 0.640954800000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.804653270000000, 0.824845995000000, 0.640954800000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.741651700000000, 0.383350285000000, 0.282813050000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.741651700000000, 0.883350285000000, 0.282813050000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.613410050000000, 0.168859625000000, 0.710302900000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.613410050000000, 0.668859625000000, 0.710302900000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.804653270000000, 0.425154005000000, 0.140954800000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 68 coordinates: [ 0.804653270000000, 0.925154005000000, 0.140954800000000 ] mass: 15.999400 reduced_to: 67 - symbol: O # 69 coordinates: [ 0.819041820000000, 0.125405175000000, 0.393829040000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.819041820000000, 0.625405175000000, 0.393829040000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.093911780000000, 0.412186240000000, 0.756564590000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 72 coordinates: [ 0.093911780000000, 0.912186240000000, 0.756564590000000 ] mass: 15.999400 reduced_to: 71 - symbol: O # 73 coordinates: [ 0.195346730000000, 0.074845995000000, 0.859045200000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.195346730000000, 0.574845995000000, 0.859045200000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.359860090000000, 0.049529490000000, 0.047438500000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 76 coordinates: [ 0.359860090000000, 0.549529490000000, 0.047438500000000 ] mass: 15.999400 reduced_to: 75 - symbol: O # 77 coordinates: [ 0.180958180000000, 0.374594825000000, 0.606170960000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.180958180000000, 0.874594825000000, 0.606170960000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.537775170000000, 0.071558880000000, 0.404442320000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 80 coordinates: [ 0.537775170000000, 0.571558880000000, 0.404442320000000 ] mass: 15.999400 reduced_to: 79 - symbol: O # 81 coordinates: [ 0.027216060000000, 0.114859625000000, 0.584518040000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.027216060000000, 0.614859625000000, 0.584518040000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.537775170000000, 0.178441120000000, 0.904442320000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 84 coordinates: [ 0.537775170000000, 0.678441120000000, 0.904442320000000 ] mass: 15.999400 reduced_to: 83 - symbol: O # 85 coordinates: [ 0.724997080000000, 0.164306125000000, 0.030392110000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.724997080000000, 0.664306125000000, 0.030392110000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.613410050000000, 0.081140375000000, 0.210302900000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 88 coordinates: [ 0.613410050000000, 0.581140375000000, 0.210302900000000 ] mass: 15.999400 reduced_to: 87 - symbol: O # 89 coordinates: [ 0.359860090000000, 0.200470510000000, 0.547438500000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.359860090000000, 0.700470510000000, 0.547438500000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.195346730000000, 0.175154005000000, 0.359045200000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 92 coordinates: [ 0.195346730000000, 0.675154005000000, 0.359045200000000 ] mass: 15.999400 reduced_to: 91 - symbol: O # 93 coordinates: [ 0.180958180000000, 0.375405175000000, 0.106170960000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.180958180000000, 0.875405175000000, 0.106170960000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.640139910000000, 0.450470510000000, 0.952561500000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 96 coordinates: [ 0.640139910000000, 0.950470510000000, 0.952561500000000 ] mass: 15.999400 reduced_to: 95 - symbol: O # 97 coordinates: [ 0.093911780000000, 0.337813760000000, 0.256564590000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.093911780000000, 0.837813760000000, 0.256564590000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.819041820000000, 0.124594825000000, 0.893829040000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 100 coordinates: [ 0.819041820000000, 0.624594825000000, 0.893829040000000 ] mass: 15.999400 reduced_to: 99 - symbol: O # 101 coordinates: [ 0.724997080000000, 0.085693875000000, 0.530392110000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.724997080000000, 0.585693875000000, 0.530392110000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.741651700000000, 0.366649715000000, 0.782813050000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 104 coordinates: [ 0.741651700000000, 0.866649715000000, 0.782813050000000 ] mass: 15.999400 reduced_to: 103 - symbol: O # 105 coordinates: [ 0.258348300000000, 0.116649715000000, 0.717186950000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.258348300000000, 0.616649715000000, 0.717186950000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.906088220000000, 0.162186240000000, 0.743435410000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 108 coordinates: [ 0.906088220000000, 0.662186240000000, 0.743435410000000 ] mass: 15.999400 reduced_to: 107 - symbol: O # 109 coordinates: [ 0.906088220000000, 0.087813760000000, 0.243435410000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.906088220000000, 0.587813760000000, 0.243435410000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.972783940000000, 0.364859625000000, 0.915481960000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 112 coordinates: [ 0.972783940000000, 0.864859625000000, 0.915481960000000 ] mass: 15.999400 reduced_to: 111 - symbol: O # 113 coordinates: [ 0.386589950000000, 0.331140375000000, 0.289697100000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.386589950000000, 0.831140375000000, 0.289697100000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 115 coordinates: [ 0.462224830000000, 0.321558880000000, 0.095557680000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 116 coordinates: [ 0.462224830000000, 0.821558880000000, 0.095557680000000 ] mass: 15.999400 reduced_to: 115 - symbol: O # 117 coordinates: [ 0.386589950000000, 0.418859625000000, 0.789697100000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.386589950000000, 0.918859625000000, 0.789697100000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 119 coordinates: [ 0.972783940000000, 0.385140375000000, 0.415481960000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 120 coordinates: [ 0.972783940000000, 0.885140375000000, 0.415481960000000 ] mass: 15.999400 reduced_to: 119 - symbol: O # 121 coordinates: [ 0.275002920000000, 0.414306125000000, 0.469607890000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.275002920000000, 0.914306125000000, 0.469607890000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 123 coordinates: [ 0.462224830000000, 0.428441120000000, 0.595557680000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 124 coordinates: [ 0.462224830000000, 0.928441120000000, 0.595557680000000 ] mass: 15.999400 reduced_to: 123 - symbol: O # 125 coordinates: [ 0.275002920000000, 0.335693875000000, 0.969607890000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.275002920000000, 0.835693875000000, 0.969607890000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 127 coordinates: [ 0.640139910000000, 0.299529490000000, 0.452561500000000 ] mass: 15.999400 reduced_to: 127 - symbol: O # 128 coordinates: [ 0.640139910000000, 0.799529490000000, 0.452561500000000 ] mass: 15.999400 reduced_to: 127displacements:- atom: 1 displacement: [ 0.0099999541101204, 0.0000000000000000, -0.0000302951396548 ] forces: - [ -0.0864897900000000, 0.0085162800000000, 0.0173532000000000 ] - [ -0.0017078500000000, 0.0001102700000000, -0.0002208300000000 ] - [ 0.0145012000000000, 0.0020642900000000, -0.0024437200000000 ] - [ 0.0022127800000000, -0.0012331100000000, 0.0005092500000000 ] - [ 0.0017620000000000, -0.0009898200000000, 0.0003419500000000 ] - [ 0.0066245500000000, 0.0038772700000000, 0.0067119100000000 ] - [ -0.0028973500000000, -0.0079111500000000, -0.0054104500000000 ] - [ -0.0028620900000000, 0.0033353900000000, -0.0016043300000000 ] - [ 0.0001748700000000, -0.0000850300000000, -0.0001236000000000 ] - [ 0.0002290100000000, 0.0001814800000000, -0.0002802000000000 ] - [ 0.0003167600000000, 0.0013213600000000, -0.0021719300000000 ] - [ 0.0008809500000000, -0.0015043900000000, -0.0010398900000000 ] - [ 0.0001916900000000, -0.0000222600000000, 0.0002726700000000 ] - [ 0.0004917700000000, 0.0004214100000000, 0.0004236700000000 ] - [ -0.0002427400000000, -0.0001551400000000, -0.0003298800000000 ] - [ -0.0001835100000000, -0.0001063000000000, -0.0003704400000000 ] - [ -0.0001835600000000, -0.0001500800000000, 0.0001969800000000 ] - [ -0.0004171100000000, 0.0002258200000000, 0.0002254400000000 ] - [ 0.0029299100000000, 0.0003514400000000, 0.0009171400000000 ] - [ 0.0046935400000000, 0.0003310000000000, -0.0009313200000000 ] - [ 0.0002361200000000, -0.0000065700000000, -0.0001367200000000 ] - [ 0.0001562800000000, 0.0000799800000000, -0.0001416800000000 ] - [ 0.0010355200000000, -0.0006103800000000, 0.0014559600000000 ] - [ 0.0001206500000000, 0.0001127500000000, 0.0003851800000000 ] - [ 0.0012454500000000, -0.0004433000000000, 0.0030376500000000 ] - [ 0.0005547600000000, -0.0000149700000000, 0.0018197300000000 ] - [ 0.0005756700000000, -0.0009413900000000, 0.0001855400000000 ] - [ 0.0422381000000000, 0.0043932000000000, -0.0133677000000000 ] - [ -0.0001096800000000, -0.0001890400000000, -0.0007603300000000 ] - [ -0.0001403400000000, -0.0003086000000000, -0.0005285600000000 ] - [ 0.0000871600000000, -0.0000784400000000, 0.0003510800000000 ] - [ 0.0000548200000000, -0.0000214800000000, 0.0000908100000000 ] - [ -0.0003271100000000, 0.0004504500000000, -0.0010184500000000 ] - [ 0.0194046900000000, -0.0031817800000000, -0.0126369300000000 ] - [ 0.0035212500000000, -0.0007476600000000, -0.0015922500000000 ] - [ 0.0012077700000000, 0.0009230600000000, -0.0001605200000000 ] - [ -0.0101984800000000, 0.0187218500000000, 0.0181023900000000 ] - [ -0.0024531200000000, -0.0047869700000000, 0.0051687900000000 ] - [ 0.0003372700000000, -0.0000224700000000, -0.0001581900000000 ] - [ 0.0003546300000000, 0.0001233500000000, -0.0002668400000000 ] - [ -0.0001308100000000, 0.0006455000000000, -0.0000080800000000 ] - [ -0.0003449500000000, 0.0008570000000000, -0.0010367900000000 ] - [ -0.0005144700000000, 0.0003206200000000, 0.0000438000000000 ] - [ -0.0008725600000000, 0.0001604900000000, -0.0001262100000000 ] - [ -0.0005901900000000, -0.0002450700000000, -0.0001105000000000 ] - [ -0.0012934000000000, -0.0001002900000000, -0.0008615600000000 ] - [ -0.0000371400000000, -0.0001790900000000, -0.0001666400000000 ] - [ 0.0000798400000000, -0.0001531000000000, -0.0000408900000000 ] - [ -0.0001673500000000, -0.0007404700000000, 0.0002039200000000 ] - [ -0.0002127600000000, -0.0006934000000000, 0.0000454700000000 ] - [ -0.0000527900000000, -0.0004768800000000, -0.0000860200000000 ] - [ -0.0000438200000000, -0.0004773500000000, -0.0000513500000000 ] - [ 0.0002752200000000, -0.0043346200000000, 0.0057840900000000 ] - [ -0.0007558600000000, 0.0008279200000000, 0.0001170400000000 ] - [ -0.0034238000000000, -0.0006941900000000, -0.0028629900000000 ] - [ -0.0038690000000000, -0.0028266400000000, 0.0000492700000000 ] - [ 0.0085274200000000, 0.0007996200000000, 0.0034804400000000 ] - [ 0.0021886500000000, 0.0014745200000000, -0.0001912600000000 ] - [ 0.0212086800000000, 0.0073552900000000, 0.0019979100000000 ] - [ 0.0005042000000000, 0.0005555300000000, -0.0006489200000000 ] - [ -0.0000151100000000, -0.0001486600000000, 0.0003122400000000 ] - [ -0.0000176200000000, -0.0002605300000000, 0.0003911900000000 ] - [ -0.0010375000000000, 0.0019706400000000, -0.0001278100000000 ] - [ -0.0048775000000000, -0.0047185200000000, 0.0058498100000000 ] - [ -0.0001090900000000, -0.0001256600000000, 0.0001106800000000 ] - [ -0.0001038300000000, -0.0001668200000000, 0.0001299800000000 ] - [ -0.0001088800000000, 0.0009616700000000, 0.0001329500000000 ] - [ -0.0109535600000000, -0.0032093700000000, -0.0021987100000000 ] - [ -0.0019364600000000, 0.0002823300000000, 0.0032207100000000 ] - [ 0.0000220700000000, -0.0004030100000000, 0.0001867600000000 ] - [ 0.0002292800000000, 0.0000931800000000, 0.0001517300000000 ] - [ 0.0001834800000000, 0.0000850900000000, 0.0002461300000000 ] - [ 0.0001304400000000, -0.0001334000000000, 0.0005778500000000 ] - [ 0.0000566400000000, 0.0002327200000000, 0.0004074800000000 ] - [ -0.0035754500000000, -0.0016189700000000, 0.0033524700000000 ] - [ 0.0000204900000000, 0.0005665500000000, -0.0000145400000000 ] - [ -0.0003410500000000, -0.0000956800000000, 0.0002758500000000 ] - [ -0.0003668900000000, -0.0001310300000000, 0.0003721300000000 ] - [ -0.0020711900000000, 0.0003084000000000, -0.0000377500000000 ] - [ -0.0010392600000000, -0.0003291800000000, -0.0005489500000000 ] - [ -0.0001295200000000, 0.0003781500000000, 0.0000739800000000 ] - [ -0.0002277800000000, 0.0003069500000000, -0.0000273500000000 ] - [ -0.0015483200000000, 0.0000834100000000, -0.0005855300000000 ] - [ -0.0011128400000000, 0.0000223600000000, -0.0003117100000000 ] - [ -0.0010301500000000, 0.0010178600000000, -0.0015435000000000 ] - [ -0.0002175800000000, -0.0012410700000000, -0.0010340700000000 ] - [ -0.0132126800000000, 0.0044325800000000, -0.0004275500000000 ] - [ -0.0013202900000000, 0.0002973300000000, -0.0002384900000000 ] - [ 0.0000493700000000, -0.0002251100000000, -0.0003115300000000 ] - [ 0.0001389700000000, -0.0002915300000000, -0.0001432600000000 ] - [ 0.0035174900000000, -0.0004590200000000, -0.0053178600000000 ] - [ 0.0007020400000000, 0.0000332400000000, -0.0008081900000000 ] - [ 0.0007963600000000, 0.0003975900000000, 0.0014261800000000 ] - [ 0.0070435400000000, -0.0095447800000000, -0.0078173400000000 ] - [ -0.0005451700000000, -0.0003395600000000, -0.0004209400000000 ] - [ -0.0011526700000000, -0.0001767000000000, -0.0016481100000000 ] - [ 0.0070617500000000, -0.0027481800000000, -0.0013121600000000 ] - [ 0.0070716400000000, 0.0017013800000000, -0.0016001200000000 ] - [ 0.0006875300000000, -0.0001533500000000, -0.0011766500000000 ] - [ 0.0005932100000000, -0.0000551800000000, -0.0007223000000000 ] - [ -0.0006631500000000, -0.0003087900000000, 0.0013223400000000 ] - [ -0.0001990400000000, -0.0002747000000000, 0.0005489900000000 ] - [ 0.0000966800000000, -0.0002514900000000, -0.0001741600000000 ] - [ 0.0001761400000000, -0.0003430900000000, -0.0001792100000000 ] - [ -0.0001707400000000, -0.0003486000000000, 0.0004024600000000 ] - [ -0.0001490000000000, -0.0003067900000000, 0.0003398400000000 ] - [ 0.0000181700000000, -0.0000613800000000, -0.0000104400000000 ] - [ 0.0000070600000000, -0.0001086900000000, 0.0000665700000000 ] - [ 0.0142408300000000, -0.0060064100000000, -0.0080534300000000 ] - [ 0.0009445500000000, -0.0002598300000000, 0.0000243900000000 ] - [ 0.0006736500000000, 0.0006136900000000, -0.0000261900000000 ] - [ 0.0012357000000000, 0.0002396600000000, 0.0003480100000000 ] - [ -0.0038123100000000, -0.0061376400000000, -0.0047213600000000 ] - [ -0.0011073900000000, 0.0016524600000000, -0.0019708700000000 ] - [ -0.0012781100000000, -0.0008502300000000, 0.0010502100000000 ] - [ -0.0077730800000000, 0.0013164000000000, -0.0003103900000000 ] - [ -0.0001601600000000, -0.0000310700000000, -0.0000378900000000 ] - [ -0.0002429200000000, -0.0001267900000000, 0.0000467900000000 ] - [ 0.0008607400000000, -0.0004110800000000, -0.0000343600000000 ] - [ 0.0012650500000000, -0.0009590200000000, 0.0007211900000000 ] - [ 0.0001285600000000, -0.0000210900000000, -0.0007298900000000 ] - [ 0.0002624600000000, 0.0002701300000000, -0.0005763500000000 ] - [ -0.0000477200000000, -0.0001770500000000, 0.0000688800000000 ] - [ -0.0000495400000000, -0.0001623100000000, 0.0001639900000000 ] - [ 0.0003350100000000, -0.0001705900000000, 0.0001435900000000 ] - [ -0.0024466200000000, 0.0017087700000000, 0.0048390100000000 ] - [ -0.0011643700000000, 0.0010828200000000, 0.0000548100000000 ] - [ -0.0006358900000000, -0.0002691200000000, 0.0004544800000000 ]- atom: 1 displacement: [ -0.0099999541101204, 0.0000000000000000, 0.0000302951396548 ] forces: - [ 0.0870091600000000, -0.0095731700000000, -0.0186453200000000 ] - [ 0.0015851300000000, 0.0000241000000000, -0.0001265300000000 ] - [ -0.0143718400000000, -0.0021158200000000, 0.0022242200000000 ] - [ -0.0021473000000000, 0.0011049200000000, -0.0007072100000000 ] - [ -0.0017263400000000, 0.0010052100000000, -0.0001709100000000 ] - [ -0.0066397700000000, -0.0038994500000000, -0.0066136600000000 ] - [ 0.0030265300000000, 0.0080712500000000, 0.0057678900000000 ] - [ 0.0030382300000000, -0.0031988600000000, 0.0019479900000000 ] - [ -0.0001435100000000, 0.0000746600000000, 0.0002984000000000 ] - [ -0.0002008400000000, -0.0001905700000000, 0.0004546500000000 ] - [ -0.0003613800000000, -0.0013276100000000, 0.0019935300000000 ] - [ -0.0009206000000000, 0.0014879100000000, 0.0008672100000000 ] - [ -0.0002770000000000, 0.0001380200000000, -0.0000739200000000 ] - [ -0.0005788800000000, -0.0003089800000000, -0.0002273500000000 ] - [ 0.0001155700000000, 0.0000152200000000, -0.0000140300000000 ] - [ 0.0000598700000000, -0.0000366700000000, 0.0000269900000000 ] - [ 0.0003122100000000, 0.0000146100000000, 0.0001479500000000 ] - [ 0.0005480200000000, -0.0003561200000000, 0.0001218700000000 ] - [ -0.0030188500000000, -0.0004715500000000, -0.0007150100000000 ] - [ -0.0047930100000000, -0.0004577200000000, 0.0011512000000000 ] - [ -0.0001542500000000, 0.0001295300000000, -0.0000653500000000 ] - [ -0.0000769100000000, 0.0000426600000000, -0.0000607100000000 ] - [ -0.0010749100000000, 0.0006207500000000, -0.0016286400000000 ] - [ -0.0001639200000000, -0.0000974500000000, -0.0005685400000000 ] - [ -0.0011076700000000, 0.0002653000000000, -0.0028006000000000 ] - [ -0.0004258300000000, -0.0001860800000000, -0.0015969400000000 ] - [ 0.0001543400000000, 0.0010441000000000, -0.0003399500000000 ] - [ -0.0419835300000000, -0.0041734200000000, 0.0135824100000000 ] - [ -0.0006199900000000, 0.0000847100000000, 0.0009165200000000 ] - [ -0.0005877100000000, 0.0002083900000000, 0.0006817100000000 ] - [ -0.0002180000000000, -0.0001170000000000, -0.0005951200000000 ] - [ -0.0001931300000000, -0.0001749200000000, -0.0003329500000000 ] - [ 0.0001706500000000, -0.0002547600000000, 0.0007821700000000 ] - [ -0.0195639900000000, 0.0033011100000000, 0.0123162800000000 ] - [ -0.0033916700000000, 0.0009467000000000, 0.0018361600000000 ] - [ -0.0010776300000000, -0.0007402200000000, 0.0003995500000000 ] - [ 0.0094628800000000, -0.0186078400000000, -0.0179378400000000 ] - [ 0.0015539400000000, 0.0049287700000000, -0.0050249400000000 ] - [ 0.0003802900000000, -0.0000823900000000, 0.0000015900000000 ] - [ 0.0003766600000000, -0.0002385900000000, 0.0001048300000000 ] - [ 0.0001290200000000, 0.0003132900000000, 0.0000956800000000 ] - [ 0.0003473900000000, 0.0000970700000000, 0.0011277600000000 ] - [ 0.0001209400000000, -0.0000045100000000, -0.0001298700000000 ] - [ 0.0004768900000000, 0.0001538600000000, 0.0000347000000000 ] - [ 0.0001945000000000, -0.0000722200000000, 0.0000270400000000 ] - [ 0.0009017000000000, -0.0002124700000000, 0.0007784400000000 ] - [ 0.0004322100000000, -0.0001356700000000, 0.0002540500000000 ] - [ 0.0003141800000000, -0.0001625900000000, 0.0001270300000000 ] - [ 0.0001667600000000, -0.0002183600000000, -0.0001127200000000 ] - [ 0.0002095700000000, -0.0002672700000000, 0.0000398200000000 ] - [ 0.0000540500000000, -0.0004822300000000, -0.0000014500000000 ] - [ 0.0000436800000000, -0.0004799500000000, -0.0000369200000000 ] - [ 0.0001696300000000, 0.0046953600000000, -0.0057364800000000 ] - [ 0.0011530600000000, -0.0005170300000000, -0.0000311700000000 ] - [ 0.0033870900000000, 0.0016182100000000, 0.0027891500000000 ] - [ 0.0038752100000000, 0.0038009400000000, -0.0001255000000000 ] - [ -0.0091856500000000, -0.0014667800000000, -0.0035966000000000 ] - [ -0.0029258400000000, -0.0020550600000000, 0.0000119300000000 ] - [ -0.0204944600000000, -0.0057781000000000, -0.0011897700000000 ] - [ -0.0006502600000000, 0.0000460700000000, 0.0009642000000000 ] - [ -0.0001339100000000, -0.0001650100000000, 0.0001131100000000 ] - [ -0.0001442700000000, -0.0000505100000000, 0.0000288800000000 ] - [ 0.0012001500000000, -0.0013332000000000, -0.0002110000000000 ] - [ 0.0050634800000000, 0.0053732400000000, -0.0062482700000000 ] - [ 0.0000415600000000, -0.0000937000000000, 0.0000540400000000 ] - [ 0.0000360900000000, -0.0000506200000000, 0.0000350200000000 ] - [ -0.0000450700000000, -0.0006472200000000, 0.0002925400000000 ] - [ 0.0107389900000000, 0.0034937800000000, 0.0025838200000000 ] - [ 0.0026822500000000, -0.0000614300000000, -0.0038901100000000 ] - [ 0.0007217400000000, 0.0006279200000000, -0.0008540900000000 ] - [ 0.0000504600000000, -0.0001166500000000, -0.0001155100000000 ] - [ 0.0000950900000000, -0.0000980200000000, -0.0001997100000000 ] - [ 0.0000190900000000, -0.0001815100000000, -0.0010031100000000 ] - [ 0.0000940000000000, -0.0005457700000000, -0.0008344200000000 ] - [ 0.0040001800000000, 0.0020540500000000, -0.0033572600000000 ] - [ 0.0004020000000000, -0.0001335800000000, -0.0000130800000000 ] - [ -0.0004115800000000, -0.0001284300000000, 0.0003936900000000 ] - [ -0.0003771500000000, -0.0000881700000000, 0.0002910700000000 ] - [ 0.0017471800000000, -0.0000265000000000, -0.0002091000000000 ] - [ 0.0007186800000000, 0.0006162500000000, 0.0003080900000000 ] - [ -0.0006036600000000, 0.0001903800000000, -0.0002571900000000 ] - [ -0.0005040200000000, 0.0002581800000000, -0.0001580100000000 ] - [ 0.0012227800000000, -0.0003711500000000, 0.0003451100000000 ] - [ 0.0007877700000000, -0.0003045400000000, 0.0000714000000000 ] - [ 0.0008957100000000, -0.0008218200000000, 0.0022014500000000 ] - [ 0.0001057300000000, 0.0014665800000000, 0.0017098900000000 ] - [ 0.0131521600000000, -0.0042404700000000, 0.0005552400000000 ] - [ 0.0012548500000000, -0.0000727700000000, 0.0003986600000000 ] - [ 0.0003650500000000, -0.0002007000000000, 0.0002853100000000 ] - [ 0.0002754800000000, -0.0001347400000000, 0.0001209300000000 ] - [ -0.0033600100000000, 0.0007736700000000, 0.0048799200000000 ] - [ -0.0005175000000000, 0.0002535700000000, 0.0004173500000000 ] - [ -0.0015333800000000, -0.0001518900000000, -0.0007495500000000 ] - [ -0.0076417600000000, 0.0093737900000000, 0.0080795100000000 ] - [ 0.0001301300000000, -0.0000840800000000, 0.0004522800000000 ] - [ 0.0007369400000000, -0.0002603500000000, 0.0016918700000000 ] - [ -0.0067728300000000, 0.0027687200000000, 0.0013435300000000 ] - [ -0.0067526100000000, -0.0015985200000000, 0.0015521300000000 ] - [ 0.0000588700000000, -0.0000794100000000, 0.0005017300000000 ] - [ 0.0001554300000000, -0.0001671800000000, 0.0000567100000000 ] - [ 0.0005498500000000, 0.0000970900000000, -0.0006669000000000 ] - [ 0.0000878300000000, 0.0000691900000000, 0.0001086400000000 ] - [ 0.0000701100000000, -0.0003861000000000, -0.0001614000000000 ] - [ -0.0000038600000000, -0.0002815500000000, -0.0001490800000000 ] - [ 0.0000017600000000, -0.0002863900000000, -0.0000671200000000 ] - [ -0.0000162600000000, -0.0003369000000000, 0.0000009600000000 ] - [ -0.0003025200000000, 0.0000312200000000, -0.0000213300000000 ] - [ -0.0003028300000000, 0.0000862500000000, -0.0001018100000000 ] - [ -0.0156745700000000, 0.0065800500000000, 0.0088072000000000 ] - [ -0.0012338700000000, 0.0002684200000000, -0.0000741800000000 ] - [ 0.0000519100000000, -0.0000362500000000, 0.0002014700000000 ] - [ -0.0005131200000000, 0.0003347600000000, -0.0001718600000000 ] - [ 0.0038838600000000, 0.0063681400000000, 0.0045676200000000 ] - [ 0.0012205200000000, -0.0014047400000000, 0.0018008300000000 ] - [ 0.0016130700000000, 0.0011272600000000, -0.0008065800000000 ] - [ 0.0081466900000000, -0.0010222100000000, 0.0005630500000000 ] - [ 0.0002318800000000, -0.0001925200000000, -0.0001223700000000 ] - [ 0.0003119800000000, -0.0000961300000000, -0.0002082800000000 ] - [ -0.0001329500000000, -0.0001574500000000, 0.0002177800000000 ] - [ -0.0005444800000000, 0.0003984500000000, -0.0005314400000000 ] - [ -0.0000203200000000, 0.0002236400000000, 0.0000741300000000 ] - [ -0.0001513400000000, -0.0000619500000000, -0.0000813200000000 ] - [ 0.0003735000000000, -0.0001063700000000, 0.0001733800000000 ] - [ 0.0003848800000000, -0.0001201300000000, 0.0000783300000000 ] - [ -0.0002188200000000, -0.0000362300000000, -0.0007979500000000 ] - [ 0.0025674600000000, -0.0019122600000000, -0.0055050200000000 ] - [ 0.0007502100000000, -0.0006633200000000, -0.0000283500000000 ] - [ 0.0002206300000000, 0.0007025700000000, -0.0004281300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0083452500000000, -0.0956242900000000, 0.0074946600000000 ] - [ -0.0000254500000000, 0.0084100800000000, -0.0006594400000000 ] - [ 0.0075501100000000, -0.0017931700000000, -0.0055903400000000 ] - [ -0.0024613500000000, 0.0030172400000000, 0.0009136000000000 ] - [ -0.0003608400000000, 0.0019054900000000, -0.0005483500000000 ] - [ -0.0002770700000000, -0.0004354600000000, 0.0024464600000000 ] - [ -0.0031972800000000, 0.0030947800000000, 0.0046639800000000 ] - [ 0.0080337200000000, 0.0031051800000000, -0.0047167300000000 ] - [ 0.0000228500000000, 0.0005255200000000, 0.0002777200000000 ] - [ -0.0000341400000000, -0.0005617600000000, -0.0000929600000000 ] - [ 0.0006010200000000, -0.0013782100000000, -0.0003760200000000 ] - [ -0.0005383000000000, 0.0021668900000000, 0.0005190600000000 ] - [ -0.0000842100000000, 0.0004886600000000, -0.0001942600000000 ] - [ -0.0002925900000000, -0.0002974000000000, 0.0003047500000000 ] - [ 0.0000183300000000, -0.0000765300000000, -0.0001626400000000 ] - [ -0.0000339500000000, -0.0000392000000000, -0.0002960900000000 ] - [ -0.0000153900000000, 0.0006769300000000, -0.0001083400000000 ] - [ 0.0003585700000000, -0.0009571400000000, 0.0000248200000000 ] - [ 0.0015859900000000, 0.0018846100000000, 0.0016002900000000 ] - [ -0.0019802800000000, -0.0024793400000000, -0.0011421800000000 ] - [ -0.0000072700000000, -0.0002719100000000, -0.0000427000000000 ] - [ -0.0000033000000000, 0.0003798000000000, -0.0002770800000000 ] - [ 0.0009008200000000, -0.0019871300000000, 0.0020958300000000 ] - [ -0.0013995000000000, 0.0018351300000000, -0.0023047500000000 ] - [ -0.0015880800000000, -0.0033179500000000, -0.0032648600000000 ] - [ 0.0003648900000000, 0.0019498200000000, 0.0014775200000000 ] - [ 0.0015464900000000, 0.0054062200000000, 0.0008683000000000 ] - [ -0.0056313600000000, -0.0207792900000000, -0.0100083800000000 ] - [ -0.0002433400000000, -0.0007218500000000, -0.0000203400000000 ] - [ -0.0004560800000000, 0.0005877600000000, 0.0002604600000000 ] - [ -0.0001156900000000, 0.0004308100000000, 0.0001039800000000 ] - [ -0.0002096900000000, -0.0005343400000000, -0.0008039100000000 ] - [ 0.0033772200000000, 0.0046193700000000, -0.0036942900000000 ] - [ -0.0159680200000000, -0.0088807300000000, 0.0115138100000000 ] - [ -0.0006051400000000, -0.0001541800000000, 0.0012402500000000 ] - [ 0.0004413600000000, 0.0005202100000000, -0.0006517100000000 ] - [ 0.0021819000000000, 0.0175879400000000, 0.0189574100000000 ] - [ -0.0207585800000000, 0.0174632200000000, -0.0096046200000000 ] - [ 0.0003521200000000, -0.0000762300000000, -0.0002891800000000 ] - [ 0.0003680600000000, -0.0000673500000000, -0.0001176400000000 ] - [ -0.0002592800000000, 0.0012732900000000, -0.0001153800000000 ] - [ 0.0006559800000000, -0.0009200300000000, 0.0004988300000000 ] - [ -0.0000023000000000, 0.0005503900000000, 0.0003061600000000 ] - [ -0.0005743400000000, -0.0002614800000000, -0.0008820400000000 ] - [ -0.0001366400000000, 0.0001906300000000, -0.0005363200000000 ] - [ 0.0006286500000000, -0.0003782700000000, 0.0008677400000000 ] - [ 0.0003360200000000, -0.0002169500000000, 0.0001122700000000 ] - [ 0.0001944400000000, -0.0001005400000000, -0.0000039200000000 ] - [ -0.0000974200000000, -0.0003927800000000, -0.0005681400000000 ] - [ 0.0000915000000000, -0.0002367100000000, 0.0002858900000000 ] - [ 0.0000738900000000, -0.0006592200000000, -0.0000822700000000 ] - [ -0.0000699000000000, -0.0002921100000000, -0.0000540200000000 ] - [ -0.0066283700000000, -0.0002740700000000, -0.0037795500000000 ] - [ 0.0015350500000000, 0.0004502700000000, 0.0007867100000000 ] - [ 0.0024101200000000, 0.0092731800000000, -0.0060799400000000 ] - [ 0.0013016100000000, 0.0056928700000000, 0.0028017900000000 ] - [ -0.0020142700000000, 0.0188720000000000, -0.0152712800000000 ] - [ -0.0016543400000000, -0.0040024500000000, -0.0011439700000000 ] - [ 0.0123912700000000, 0.0111677500000000, 0.0034726000000000 ] - [ 0.0032231200000000, -0.0059966500000000, -0.0015984400000000 ] - [ -0.0001129200000000, -0.0002403100000000, 0.0002409600000000 ] - [ -0.0000902500000000, -0.0001196400000000, 0.0002997900000000 ] - [ 0.0000296000000000, -0.0020375600000000, 0.0003998900000000 ] - [ 0.0005185800000000, 0.0055864700000000, -0.0006954600000000 ] - [ 0.0000255800000000, -0.0000334500000000, 0.0001348900000000 ] - [ 0.0000111600000000, -0.0001313400000000, 0.0001033400000000 ] - [ 0.0001887900000000, -0.0024646500000000, -0.0011160500000000 ] - [ -0.0048471300000000, 0.0068216800000000, 0.0038212300000000 ] - [ 0.0009654200000000, 0.0007772800000000, -0.0018039200000000 ] - [ 0.0000047900000000, -0.0004636100000000, 0.0000959300000000 ] - [ -0.0000248000000000, -0.0002481800000000, 0.0000364200000000 ] - [ 0.0002534000000000, 0.0002505500000000, 0.0000533700000000 ] - [ -0.0000100800000000, 0.0004048500000000, 0.0000487200000000 ] - [ 0.0000291000000000, -0.0007385100000000, -0.0005746100000000 ] - [ 0.0028914900000000, 0.0076509700000000, -0.0003771600000000 ] - [ -0.0007042700000000, -0.0034199500000000, 0.0002361000000000 ] - [ -0.0002438900000000, -0.0002423300000000, 0.0002149000000000 ] - [ -0.0004362500000000, 0.0000021900000000, 0.0005126400000000 ] - [ -0.0002842700000000, 0.0011428900000000, -0.0002305500000000 ] - [ 0.0002938800000000, -0.0009607500000000, -0.0002319000000000 ] - [ -0.0004779300000000, 0.0004352000000000, -0.0001558300000000 ] - [ -0.0003535600000000, 0.0001032100000000, 0.0000037200000000 ] - [ 0.0005750600000000, 0.0000547400000000, 0.0007990600000000 ] - [ 0.0001751700000000, -0.0005658300000000, -0.0004689900000000 ] - [ 0.0037849500000000, 0.0009414100000000, 0.0031674900000000 ] - [ -0.0005645200000000, -0.0009335500000000, -0.0009635600000000 ] - [ 0.0001640100000000, 0.0037107900000000, 0.0018808700000000 ] - [ 0.0009490000000000, -0.0017040300000000, 0.0002238500000000 ] - [ 0.0002052300000000, -0.0004454700000000, -0.0005031100000000 ] - [ 0.0003043500000000, -0.0000223800000000, 0.0006347300000000 ] - [ 0.0007465900000000, 0.0005805700000000, -0.0061428000000000 ] - [ 0.0031406400000000, -0.0061987600000000, 0.0071270100000000 ] - [ -0.0032241200000000, -0.0050551800000000, 0.0016617000000000 ] - [ -0.0080260600000000, 0.0202554500000000, 0.0125271800000000 ] - [ -0.0004199400000000, -0.0015784300000000, 0.0002655400000000 ] - [ 0.0003497200000000, 0.0017374400000000, -0.0003158900000000 ] - [ 0.0015835200000000, -0.0058033300000000, -0.0023369700000000 ] - [ 0.0037160700000000, 0.0140482400000000, -0.0091478100000000 ] - [ 0.0005920000000000, 0.0006540700000000, 0.0008123600000000 ] - [ 0.0004276100000000, -0.0006972400000000, -0.0007544200000000 ] - [ 0.0000324900000000, 0.0003821000000000, -0.0004598100000000 ] - [ -0.0001045300000000, -0.0004676400000000, 0.0007480900000000 ] - [ 0.0001197400000000, -0.0004092900000000, -0.0000171900000000 ] - [ 0.0000557900000000, -0.0001912300000000, -0.0001901800000000 ] - [ -0.0000952200000000, -0.0001378000000000, 0.0001531700000000 ] - [ -0.0000690200000000, -0.0005489600000000, 0.0002591600000000 ] - [ -0.0002385100000000, -0.0000000200000000, 0.0001418700000000 ] - [ -0.0001685900000000, -0.0000346700000000, -0.0000501900000000 ] - [ -0.0019825200000000, 0.0122792600000000, 0.0066526800000000 ] - [ -0.0021636100000000, -0.0042763300000000, -0.0010120200000000 ] - [ 0.0004824600000000, -0.0004595200000000, 0.0010723000000000 ] - [ -0.0001941900000000, 0.0007456400000000, -0.0007815700000000 ] - [ -0.0040578400000000, -0.0056498900000000, -0.0035276500000000 ] - [ 0.0073183100000000, 0.0011130800000000, 0.0021518200000000 ] - [ -0.0007795200000000, -0.0011789100000000, 0.0016024600000000 ] - [ 0.0057079300000000, -0.0001535900000000, -0.0011944200000000 ] - [ 0.0001915400000000, -0.0003644100000000, 0.0000049700000000 ] - [ -0.0000654800000000, 0.0001894100000000, -0.0001876400000000 ] - [ 0.0006906100000000, -0.0013000300000000, -0.0006244600000000 ] - [ -0.0005881100000000, 0.0014483200000000, 0.0020200500000000 ] - [ -0.0000655000000000, -0.0010460200000000, -0.0002479700000000 ] - [ 0.0003994300000000, 0.0010187100000000, 0.0000878900000000 ] - [ 0.0000679100000000, -0.0004308100000000, -0.0000117400000000 ] - [ 0.0004037500000000, 0.0001733900000000, 0.0003557000000000 ] - [ -0.0006686900000000, -0.0005279300000000, 0.0007303500000000 ] - [ 0.0028053400000000, -0.0008057600000000, -0.0059691100000000 ] - [ -0.0002350300000000, 0.0001040700000000, -0.0005628300000000 ] - [ -0.0000712100000000, 0.0001140100000000, 0.0005607700000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0097835200000000, 0.0964491200000000, -0.0076808700000000 ] - [ -0.0001013000000000, -0.0082739100000000, 0.0003184900000000 ] - [ -0.0074628500000000, 0.0016556300000000, 0.0053948900000000 ] - [ 0.0025535900000000, -0.0031274900000000, -0.0011271800000000 ] - [ 0.0003914800000000, -0.0018933400000000, 0.0007142900000000 ] - [ 0.0003087500000000, 0.0004633400000000, -0.0022675100000000 ] - [ 0.0032970300000000, -0.0029783700000000, -0.0043127600000000 ] - [ -0.0079302000000000, -0.0029669700000000, 0.0050887000000000 ] - [ 0.0000110200000000, -0.0005411700000000, -0.0001045000000000 ] - [ 0.0000669700000000, 0.0005496500000000, 0.0002663700000000 ] - [ -0.0006356900000000, 0.0013527400000000, 0.0002073500000000 ] - [ 0.0005054600000000, -0.0021756700000000, -0.0006913600000000 ] - [ 0.0000038400000000, -0.0003737700000000, 0.0003950100000000 ] - [ 0.0002118800000000, 0.0004159900000000, -0.0001012600000000 ] - [ -0.0001453900000000, -0.0000654100000000, -0.0001761900000000 ] - [ -0.0000905900000000, -0.0001041100000000, -0.0000424700000000 ] - [ 0.0001436600000000, -0.0008117300000000, 0.0004478600000000 ] - [ -0.0002293000000000, 0.0008245300000000, 0.0003184400000000 ] - [ -0.0016699400000000, -0.0020115700000000, -0.0013969200000000 ] - [ 0.0019086700000000, 0.0023629400000000, 0.0013440300000000 ] - [ 0.0000889700000000, 0.0003956700000000, -0.0001582900000000 ] - [ 0.0000841900000000, -0.0002557400000000, 0.0000771800000000 ] - [ -0.0009318100000000, 0.0020001100000000, -0.0022687200000000 ] - [ 0.0013686100000000, -0.0018223100000000, 0.0021358700000000 ] - [ 0.0017280800000000, 0.0031181500000000, 0.0035024200000000 ] - [ -0.0002254500000000, -0.0021403200000000, -0.0012462200000000 ] - [ -0.0008349100000000, -0.0053054800000000, -0.0010109100000000 ] - [ 0.0065105300000000, 0.0209499500000000, 0.0098477600000000 ] - [ -0.0004945300000000, 0.0006106000000000, 0.0001741800000000 ] - [ -0.0002795700000000, -0.0006979700000000, -0.0001168600000000 ] - [ -0.0000204600000000, -0.0006262300000000, -0.0003373700000000 ] - [ 0.0000710400000000, 0.0003448000000000, 0.0005707900000000 ] - [ -0.0034853000000000, -0.0044300200000000, 0.0034396700000000 ] - [ 0.0157782200000000, 0.0090591500000000, -0.0117263100000000 ] - [ 0.0007501700000000, 0.0003437700000000, -0.0010069400000000 ] - [ -0.0003049300000000, -0.0003287600000000, 0.0008919000000000 ] - [ -0.0027736100000000, -0.0174756300000000, -0.0187255000000000 ] - [ 0.0200507000000000, -0.0174387400000000, 0.0098777800000000 ] - [ 0.0003822000000000, -0.0000330800000000, 0.0001416700000000 ] - [ 0.0003720300000000, -0.0000442400000000, -0.0000318300000000 ] - [ 0.0002524000000000, -0.0002936100000000, 0.0002011400000000 ] - [ -0.0006620100000000, 0.0019020100000000, -0.0004181600000000 ] - [ -0.0003708900000000, -0.0002314900000000, -0.0003845300000000 ] - [ 0.0001996100000000, 0.0005821400000000, 0.0008020400000000 ] - [ -0.0002379700000000, -0.0005115900000000, 0.0004551100000000 ] - [ -0.0009970800000000, 0.0000610300000000, -0.0009460400000000 ] - [ 0.0000419200000000, -0.0001014300000000, -0.0000300200000000 ] - [ 0.0001812100000000, -0.0002192600000000, 0.0000852900000000 ] - [ 0.0000912500000000, -0.0005897800000000, 0.0006536200000000 ] - [ -0.0000983900000000, -0.0007430400000000, -0.0002033800000000 ] - [ -0.0000670200000000, -0.0003177100000000, -0.0000014900000000 ] - [ 0.0000763800000000, -0.0006876200000000, -0.0000296900000000 ] - [ 0.0069971600000000, 0.0006029200000000, 0.0038215800000000 ] - [ -0.0011730600000000, -0.0001319700000000, -0.0007131800000000 ] - [ -0.0024175500000000, -0.0082077100000000, 0.0058392700000000 ] - [ -0.0012781500000000, -0.0047346900000000, -0.0029235500000000 ] - [ 0.0011480100000000, -0.0189689700000000, 0.0141857800000000 ] - [ 0.0009488600000000, 0.0034097300000000, 0.0009485700000000 ] - [ -0.0118337900000000, -0.0101200300000000, -0.0028036500000000 ] - [ -0.0034078700000000, 0.0066161700000000, 0.0019148200000000 ] - [ -0.0000185400000000, -0.0000684600000000, 0.0001653300000000 ] - [ -0.0000515300000000, -0.0001919700000000, 0.0001065000000000 ] - [ 0.0001416500000000, 0.0026663400000000, -0.0007387400000000 ] - [ -0.0003545700000000, -0.0049838500000000, 0.0003731000000000 ] - [ -0.0000989200000000, -0.0001940000000000, 0.0000285100000000 ] - [ -0.0000818100000000, -0.0000968200000000, 0.0000578100000000 ] - [ -0.0003182300000000, 0.0027772000000000, 0.0015269400000000 ] - [ 0.0047121600000000, -0.0065482500000000, -0.0034222300000000 ] - [ -0.0002424400000000, -0.0005652100000000, 0.0011816500000000 ] - [ 0.0007289200000000, 0.0006738000000000, -0.0007335400000000 ] - [ 0.0003241700000000, 0.0002246500000000, 0.0000033200000000 ] - [ 0.0000464300000000, -0.0002615200000000, -0.0000030700000000 ] - [ 0.0001438500000000, -0.0007148100000000, -0.0004551200000000 ] - [ 0.0001099300000000, 0.0004302100000000, 0.0001726500000000 ] - [ -0.0024654800000000, -0.0072081200000000, 0.0003428700000000 ] - [ 0.0011227500000000, 0.0038572200000000, -0.0002671400000000 ] - [ -0.0004887000000000, 0.0000267300000000, 0.0004228700000000 ] - [ -0.0002916300000000, -0.0002123300000000, 0.0001201800000000 ] - [ -0.0000466000000000, -0.0008567300000000, -0.0000081600000000 ] - [ -0.0006200400000000, 0.0012501700000000, -0.0000074000000000 ] - [ -0.0002292300000000, 0.0001603200000000, -0.0000519400000000 ] - [ -0.0003525800000000, 0.0004896300000000, -0.0002186900000000 ] - [ -0.0009059800000000, -0.0003358000000000, -0.0010421700000000 ] - [ -0.0005097400000000, 0.0002777700000000, 0.0002279000000000 ] - [ -0.0038881300000000, -0.0007468000000000, -0.0025210100000000 ] - [ 0.0004661500000000, 0.0011202700000000, 0.0016109100000000 ] - [ -0.0002587000000000, -0.0034833200000000, -0.0017260700000000 ] - [ -0.0010064500000000, 0.0019268800000000, -0.0000618900000000 ] - [ 0.0002178300000000, 0.0000115000000000, 0.0004701900000000 ] - [ 0.0001192200000000, -0.0004148100000000, -0.0006681700000000 ] - [ -0.0006102900000000, -0.0002516800000000, 0.0057236100000000 ] - [ -0.0029852400000000, 0.0065110000000000, -0.0075325100000000 ] - [ 0.0024684600000000, 0.0052608300000000, -0.0010013700000000 ] - [ 0.0079533400000000, -0.0205138300000000, -0.0126814100000000 ] - [ -0.0000027400000000, 0.0011406000000000, -0.0002300100000000 ] - [ -0.0007715000000000, -0.0021705500000000, 0.0003487900000000 ] - [ -0.0012972400000000, 0.0058178300000000, 0.0023501900000000 ] - [ -0.0033689900000000, -0.0151535600000000, 0.0102380400000000 ] - [ 0.0001467900000000, -0.0008697200000000, -0.0014549400000000 ] - [ 0.0003076100000000, 0.0004848100000000, 0.0001201600000000 ] - [ -0.0001403700000000, -0.0005744700000000, 0.0010994300000000 ] - [ -0.0000009000000000, 0.0002789300000000, -0.0001106600000000 ] - [ 0.0000450100000000, -0.0002182700000000, -0.0003178800000000 ] - [ 0.0001167100000000, -0.0004224300000000, -0.0001385900000000 ] - [ -0.0000729900000000, -0.0004742300000000, 0.0001723800000000 ] - [ -0.0000913800000000, -0.0000747100000000, 0.0000758500000000 ] - [ -0.0000566600000000, -0.0000210900000000, -0.0001821300000000 ] - [ -0.0001405200000000, 0.0000181300000000, 0.0000071000000000 ] - [ 0.0014755300000000, -0.0122691900000000, -0.0065640700000000 ] - [ 0.0018799300000000, 0.0042979700000000, 0.0009604300000000 ] - [ 0.0002243800000000, 0.0010592600000000, -0.0008598500000000 ] - [ 0.0008969300000000, -0.0001453700000000, 0.0009884300000000 ] - [ 0.0041274200000000, 0.0059043700000000, 0.0033818700000000 ] - [ -0.0072780300000000, -0.0008937700000000, -0.0023221200000000 ] - [ 0.0011062700000000, 0.0014721200000000, -0.0013631100000000 ] - [ -0.0053671400000000, 0.0004381600000000, 0.0014393400000000 ] - [ -0.0001125900000000, 0.0001333600000000, -0.0001637000000000 ] - [ 0.0001358400000000, -0.0004177600000000, 0.0000236200000000 ] - [ 0.0000183800000000, 0.0007058300000000, 0.0008319800000000 ] - [ 0.0012982200000000, -0.0020469500000000, -0.0018088400000000 ] - [ 0.0001698500000000, 0.0012366200000000, -0.0003963600000000 ] - [ -0.0002928100000000, -0.0008295100000000, -0.0007320100000000 ] - [ 0.0002609500000000, 0.0001442400000000, 0.0002525700000000 ] - [ -0.0000697300000000, -0.0004592800000000, -0.0001141500000000 ] - [ 0.0007728800000000, 0.0003426300000000, -0.0013651600000000 ] - [ -0.0026911600000000, 0.0006075400000000, 0.0052911700000000 ] - [ -0.0001873400000000, 0.0003313600000000, 0.0005969000000000 ] - [ -0.0003513800000000, 0.0003217000000000, -0.0005266100000000 ]- atom: 1 displacement: [ -0.0009337289454915, 0.0000000000000000, 0.0099563120811047 ] forces: - [ 0.0258296800000000, 0.0068081600000000, -0.0867074800000000 ] - [ 0.0000291900000000, -0.0004240100000000, -0.0063277000000000 ] - [ -0.0011136800000000, -0.0016716700000000, -0.0089447700000000 ] - [ 0.0000809600000000, 0.0023630400000000, -0.0055994000000000 ] - [ 0.0006876000000000, -0.0019542600000000, -0.0020430900000000 ] - [ -0.0008620000000000, 0.0004631400000000, -0.0009908100000000 ] - [ -0.0014346200000000, 0.0057042100000000, 0.0030030100000000 ] - [ -0.0052275300000000, -0.0047178500000000, 0.0026520100000000 ] - [ 0.0001919800000000, -0.0001563300000000, 0.0019332300000000 ] - [ 0.0001137000000000, -0.0003475900000000, 0.0020789200000000 ] - [ -0.0007917300000000, -0.0013658800000000, 0.0025915500000000 ] - [ -0.0006104600000000, 0.0022499300000000, 0.0011476900000000 ] - [ -0.0001005400000000, -0.0006078600000000, 0.0016370700000000 ] - [ -0.0002112700000000, 0.0003262600000000, 0.0019609700000000 ] - [ -0.0001947100000000, -0.0000659500000000, 0.0018977100000000 ] - [ -0.0002392100000000, 0.0000587900000000, 0.0019429400000000 ] - [ 0.0001121300000000, -0.0003338900000000, 0.0019942000000000 ] - [ 0.0001640500000000, -0.0002351200000000, 0.0029583700000000 ] - [ 0.0006104000000000, 0.0003025100000000, 0.0000380000000000 ] - [ 0.0005152300000000, 0.0001068800000000, 0.0012556500000000 ] - [ -0.0000629400000000, 0.0001839700000000, 0.0021384500000000 ] - [ 0.0000335800000000, 0.0001027400000000, 0.0019733700000000 ] - [ 0.0009683700000000, 0.0000106600000000, 0.0027871700000000 ] - [ 0.0007947600000000, -0.0006367400000000, 0.0020805900000000 ] - [ 0.0013472800000000, 0.0004548900000000, 0.0033796500000000 ] - [ -0.0000223800000000, 0.0002940400000000, 0.0004661700000000 ] - [ -0.0007338900000000, -0.0000397100000000, -0.0059865400000000 ] - [ -0.0185622900000000, -0.0132199700000000, -0.0197545300000000 ] - [ -0.0007058900000000, -0.0001928700000000, 0.0040597800000000 ] - [ -0.0005828700000000, -0.0003300200000000, 0.0030360200000000 ] - [ -0.0002583000000000, 0.0001823300000000, 0.0028099900000000 ] - [ -0.0000699600000000, -0.0003113700000000, 0.0035527200000000 ] - [ -0.0031215800000000, -0.0001744200000000, -0.0014060500000000 ] - [ -0.0227246300000000, 0.0012314500000000, 0.0126368900000000 ] - [ -0.0011690800000000, 0.0009652700000000, 0.0031911500000000 ] - [ -0.0001338900000000, -0.0003996000000000, 0.0021949900000000 ] - [ 0.0035819600000000, 0.0103678300000000, 0.0012640100000000 ] - [ 0.0159480100000000, -0.0145163800000000, 0.0000967500000000 ] - [ 0.0005294900000000, -0.0000002800000000, 0.0031026200000000 ] - [ 0.0004002300000000, 0.0004093000000000, 0.0032333600000000 ] - [ -0.0001667500000000, 0.0004870900000000, 0.0000571100000000 ] - [ -0.0007853100000000, 0.0009072500000000, 0.0009441000000000 ] - [ 0.0000338800000000, 0.0002570600000000, 0.0004122500000000 ] - [ 0.0006194500000000, 0.0001137700000000, 0.0012999000000000 ] - [ -0.0003872400000000, -0.0004795600000000, 0.0004372900000000 ] - [ 0.0002932600000000, 0.0002269000000000, 0.0013171000000000 ] - [ 0.0005882400000000, -0.0000996700000000, 0.0006023100000000 ] - [ 0.0005150300000000, -0.0001591700000000, 0.0004961500000000 ] - [ 0.0000444700000000, -0.0008503800000000, 0.0007856100000000 ] - [ 0.0004820200000000, 0.0002265000000000, 0.0003026600000000 ] - [ -0.0000271800000000, -0.0004561100000000, 0.0003758400000000 ] - [ -0.0000255300000000, -0.0004842600000000, 0.0002709800000000 ] - [ 0.0071895300000000, -0.0004618700000000, 0.0036866100000000 ] - [ 0.0006653300000000, 0.0002145900000000, -0.0001135200000000 ] - [ -0.0053555300000000, -0.0061333300000000, -0.0019845300000000 ] - [ 0.0028323400000000, 0.0064252700000000, -0.0005426100000000 ] - [ 0.0060860100000000, -0.0178697000000000, 0.0269400100000000 ] - [ -0.0019552300000000, -0.0036050000000000, 0.0015132700000000 ] - [ 0.0016500800000000, 0.0029115600000000, 0.0087953900000000 ] - [ -0.0038967500000000, 0.0050107300000000, 0.0062896600000000 ] - [ -0.0000592600000000, 0.0004002600000000, -0.0017610700000000 ] - [ -0.0000503300000000, 0.0003958000000000, -0.0018430800000000 ] - [ 0.0006557200000000, -0.0014321400000000, 0.0016771900000000 ] - [ 0.0029047000000000, 0.0019185100000000, 0.0020353400000000 ] - [ -0.0004472200000000, -0.0003769700000000, -0.0010753400000000 ] - [ -0.0004908900000000, -0.0004858600000000, -0.0010499000000000 ] - [ -0.0003686700000000, 0.0016554000000000, 0.0042129000000000 ] - [ -0.0038431800000000, 0.0040889500000000, 0.0120356100000000 ] - [ 0.0020743000000000, -0.0002888300000000, -0.0023911800000000 ] - [ 0.0009965900000000, 0.0004723500000000, -0.0009013100000000 ] - [ 0.0001638900000000, -0.0003576900000000, -0.0012059700000000 ] - [ 0.0001385900000000, -0.0005485300000000, -0.0015222900000000 ] - [ 0.0003065200000000, -0.0006644900000000, -0.0027891300000000 ] - [ 0.0002030400000000, -0.0008458200000000, -0.0019883600000000 ] - [ 0.0053803700000000, 0.0037007300000000, -0.0006507000000000 ] - [ 0.0010008900000000, 0.0001239100000000, 0.0008918300000000 ] - [ 0.0002653400000000, -0.0001109900000000, -0.0010344900000000 ] - [ 0.0003281900000000, -0.0000128100000000, -0.0013257200000000 ] - [ -0.0003766000000000, -0.0001474700000000, -0.0010645100000000 ] - [ -0.0006450300000000, 0.0002468600000000, -0.0006816500000000 ] - [ -0.0005706100000000, 0.0000470500000000, -0.0011796300000000 ] - [ -0.0005149400000000, 0.0001715400000000, -0.0010038300000000 ] - [ -0.0006045000000000, 0.0005869700000000, -0.0016997000000000 ] - [ 0.0002752800000000, -0.0003983200000000, -0.0006372800000000 ] - [ -0.0042181200000000, 0.0006334000000000, -0.0015375300000000 ] - [ -0.0000085700000000, -0.0004802000000000, 0.0003421100000000 ] - [ 0.0054443000000000, 0.0007425100000000, 0.0049070200000000 ] - [ 0.0008185700000000, -0.0003861500000000, 0.0022110400000000 ] - [ 0.0001610300000000, -0.0004751400000000, -0.0017224100000000 ] - [ 0.0000805400000000, -0.0001574000000000, -0.0016955900000000 ] - [ -0.0016662900000000, -0.0023855500000000, -0.0011498700000000 ] - [ -0.0026035600000000, 0.0041667600000000, -0.0043893100000000 ] - [ 0.0024692800000000, 0.0037546100000000, 0.0028047600000000 ] - [ -0.0065339000000000, 0.0132928700000000, 0.0144439800000000 ] - [ -0.0002656600000000, -0.0001741800000000, -0.0000245500000000 ] - [ -0.0002064500000000, -0.0007253100000000, -0.0007311300000000 ] - [ 0.0002696700000000, -0.0030646400000000, 0.0021213900000000 ] - [ -0.0034225100000000, -0.0074890100000000, 0.0122587400000000 ] - [ 0.0002433900000000, -0.0000769300000000, -0.0019237700000000 ] - [ 0.0003421200000000, -0.0004629700000000, -0.0009669700000000 ] - [ -0.0000409800000000, 0.0002427300000000, -0.0015592300000000 ] - [ -0.0002449900000000, 0.0003181900000000, -0.0010794900000000 ] - [ 0.0002328500000000, -0.0008192000000000, -0.0017137400000000 ] - [ 0.0001931700000000, -0.0011916100000000, -0.0019803100000000 ] - [ 0.0002330500000000, 0.0005203300000000, -0.0018282600000000 ] - [ 0.0001735900000000, 0.0003391600000000, -0.0014696300000000 ] - [ -0.0002495000000000, 0.0005212700000000, -0.0013752200000000 ] - [ -0.0002493400000000, 0.0002745200000000, -0.0011984700000000 ] - [ -0.0065159400000000, 0.0091137400000000, 0.0153354800000000 ] - [ 0.0012656400000000, 0.0023347900000000, 0.0026309400000000 ] - [ 0.0003410700000000, 0.0010607600000000, -0.0011599200000000 ] - [ -0.0004456100000000, -0.0001890500000000, -0.0018542800000000 ] - [ -0.0017164900000000, -0.0016323600000000, -0.0003264200000000 ] - [ -0.0045032100000000, 0.0014882500000000, 0.0002588400000000 ] - [ 0.0010363000000000, -0.0005433100000000, 0.0022362000000000 ] - [ 0.0081994700000000, -0.0023541900000000, 0.0015477700000000 ] - [ -0.0001939800000000, 0.0001637700000000, -0.0010636300000000 ] - [ -0.0001103900000000, 0.0000587100000000, -0.0013648600000000 ] - [ 0.0004470400000000, -0.0006173900000000, -0.0003243000000000 ] - [ 0.0009362800000000, -0.0003611500000000, -0.0021226800000000 ] - [ -0.0001640000000000, 0.0005672000000000, -0.0021962400000000 ] - [ -0.0005288200000000, 0.0007098300000000, -0.0027615000000000 ] - [ -0.0000709000000000, -0.0005069500000000, -0.0010643700000000 ] - [ -0.0001481800000000, -0.0005272500000000, -0.0013077600000000 ] - [ 0.0006963000000000, 0.0009936100000000, 0.0002276200000000 ] - [ 0.0026008000000000, -0.0017784100000000, -0.0054136000000000 ] - [ 0.0000511300000000, -0.0005341300000000, -0.0010729400000000 ] - [ -0.0002556600000000, 0.0004317800000000, -0.0012159100000000 ]- atom: 1 displacement: [ 0.0009337289454915, 0.0000000000000000, -0.0099563120811047 ] forces: - [ -0.0256700100000000, -0.0065993500000000, 0.0875943000000000 ] - [ -0.0001514100000000, 0.0005422500000000, 0.0060016800000000 ] - [ 0.0011615400000000, 0.0015494800000000, 0.0087705900000000 ] - [ -0.0000045500000000, -0.0024746500000000, 0.0053904600000000 ] - [ -0.0006540300000000, 0.0019773500000000, 0.0022171700000000 ] - [ 0.0008970400000000, -0.0004396000000000, 0.0011793800000000 ] - [ 0.0015359700000000, -0.0055554300000000, -0.0026860700000000 ] - [ 0.0053362000000000, 0.0048207000000000, -0.0023242300000000 ] - [ -0.0001577500000000, 0.0001397100000000, -0.0017652500000000 ] - [ -0.0000817900000000, 0.0003323700000000, -0.0019099000000000 ] - [ 0.0007613900000000, 0.0013519300000000, -0.0027676200000000 ] - [ 0.0005782400000000, -0.0022704900000000, -0.0013127400000000 ] - [ 0.0000226900000000, 0.0007229100000000, -0.0014278100000000 ] - [ 0.0001333500000000, -0.0002133200000000, -0.0017497900000000 ] - [ 0.0000724900000000, -0.0000639500000000, -0.0022272800000000 ] - [ 0.0001194100000000, -0.0001936300000000, -0.0022712000000000 ] - [ 0.0000069600000000, 0.0002091900000000, -0.0016640400000000 ] - [ -0.0000429800000000, 0.0001157200000000, -0.0026326100000000 ] - [ -0.0006934400000000, -0.0004265800000000, 0.0001626900000000 ] - [ -0.0005912700000000, -0.0002253500000000, -0.0010512700000000 ] - [ 0.0001417200000000, -0.0000620500000000, -0.0023475100000000 ] - [ 0.0000429700000000, 0.0000176000000000, -0.0021819500000000 ] - [ -0.0009919400000000, 0.0000065000000000, -0.0029491700000000 ] - [ -0.0008283000000000, 0.0006524900000000, -0.0022559900000000 ] - [ -0.0012607700000000, -0.0006795600000000, -0.0031542300000000 ] - [ 0.0001144600000000, -0.0005160500000000, -0.0002309200000000 ] - [ 0.0014895300000000, 0.0001272400000000, 0.0058379800000000 ] - [ 0.0193625500000000, 0.0133367100000000, 0.0195268700000000 ] - [ -0.0000484100000000, 0.0001037200000000, -0.0039084600000000 ] - [ -0.0001710000000000, 0.0002336900000000, -0.0028871700000000 ] - [ 0.0001639600000000, -0.0004042200000000, -0.0030423400000000 ] - [ -0.0000253400000000, 0.0000917600000000, -0.0037769900000000 ] - [ 0.0030291200000000, 0.0003987400000000, 0.0011867000000000 ] - [ 0.0226975300000000, -0.0011264200000000, -0.0128901500000000 ] - [ 0.0012622300000000, -0.0007420500000000, -0.0029660900000000 ] - [ 0.0002293600000000, 0.0006139200000000, -0.0019698500000000 ] - [ -0.0042792900000000, -0.0102693500000000, -0.0012430100000000 ] - [ -0.0167047500000000, 0.0145686900000000, 0.0000485900000000 ] - [ 0.0002247600000000, -0.0000900000000000, -0.0032526200000000 ] - [ 0.0003613700000000, -0.0005012400000000, -0.0033826100000000 ] - [ 0.0001671600000000, 0.0004548600000000, 0.0000370400000000 ] - [ 0.0007759600000000, 0.0000424200000000, -0.0008426100000000 ] - [ -0.0004474900000000, 0.0000561500000000, -0.0004987700000000 ] - [ -0.0010268200000000, 0.0001966500000000, -0.0013786300000000 ] - [ -0.0000268900000000, 0.0001671600000000, -0.0005229600000000 ] - [ -0.0006997700000000, -0.0005419800000000, -0.0014076600000000 ] - [ -0.0001776300000000, -0.0002123400000000, -0.0005156300000000 ] - [ -0.0001026700000000, -0.0001537200000000, -0.0004105100000000 ] - [ -0.0000429400000000, -0.0000889200000000, -0.0006895900000000 ] - [ -0.0004861900000000, -0.0011734800000000, -0.0002076900000000 ] - [ 0.0000264800000000, -0.0004859100000000, -0.0004699900000000 ] - [ 0.0000240000000000, -0.0004567800000000, -0.0003667600000000 ] - [ -0.0067979100000000, 0.0008354600000000, -0.0036506700000000 ] - [ -0.0002557900000000, 0.0000968300000000, 0.0002014900000000 ] - [ 0.0053623600000000, 0.0071165300000000, 0.0018783000000000 ] - [ -0.0028323400000000, -0.0054933600000000, 0.0004568900000000 ] - [ -0.0072258600000000, 0.0185478300000000, -0.0282180500000000 ] - [ 0.0011886400000000, 0.0030918800000000, -0.0016865300000000 ] - [ -0.0018755600000000, -0.0022857600000000, -0.0085005800000000 ] - [ 0.0036950900000000, -0.0043613200000000, -0.0059357500000000 ] - [ -0.0000840800000000, -0.0007194600000000, 0.0021971300000000 ] - [ -0.0000994300000000, -0.0007089900000000, 0.0022724100000000 ] - [ -0.0004705200000000, 0.0020829000000000, -0.0020248900000000 ] - [ -0.0027168500000000, -0.0012864200000000, -0.0023653200000000 ] - [ 0.0003685100000000, 0.0001423500000000, 0.0012430700000000 ] - [ 0.0004011600000000, 0.0002460800000000, 0.0012139700000000 ] - [ 0.0002232400000000, -0.0013406800000000, -0.0037869000000000 ] - [ 0.0036917900000000, -0.0037733700000000, -0.0116287600000000 ] - [ -0.0012555900000000, 0.0004972500000000, 0.0016838100000000 ] - [ -0.0001819900000000, -0.0002577500000000, 0.0001902000000000 ] - [ 0.0001077300000000, 0.0003246700000000, 0.0012365600000000 ] - [ 0.0001214900000000, 0.0005200100000000, 0.0015618900000000 ] - [ -0.0001621400000000, 0.0003491200000000, 0.0023597000000000 ] - [ -0.0000537200000000, 0.0005344100000000, 0.0015635600000000 ] - [ -0.0049913000000000, -0.0032832100000000, 0.0006267600000000 ] - [ -0.0005946400000000, 0.0002848800000000, -0.0009292100000000 ] - [ -0.0010894600000000, -0.0001057600000000, 0.0017550200000000 ] - [ -0.0011412100000000, -0.0001972000000000, 0.0020360900000000 ] - [ 0.0000542300000000, 0.0004347700000000, 0.0008274600000000 ] - [ 0.0003251100000000, 0.0000462700000000, 0.0004475500000000 ] - [ -0.0001949900000000, 0.0004689800000000, 0.0010133700000000 ] - [ -0.0002532200000000, 0.0003359500000000, 0.0008324700000000 ] - [ 0.0002876300000000, -0.0008814600000000, 0.0014676900000000 ] - [ -0.0005998700000000, 0.0001036500000000, 0.0004053500000000 ] - [ 0.0041299200000000, -0.0004204500000000, 0.0022701700000000 ] - [ -0.0000892000000000, 0.0006959900000000, 0.0003815500000000 ] - [ -0.0055387700000000, -0.0005006400000000, -0.0047441000000000 ] - [ -0.0008919800000000, 0.0006203500000000, -0.0020373600000000 ] - [ 0.0002473900000000, 0.0000663900000000, 0.0016984700000000 ] - [ 0.0003289100000000, -0.0002578000000000, 0.0016756600000000 ] - [ 0.0017876600000000, 0.0026699300000000, 0.0007415800000000 ] - [ 0.0027590900000000, -0.0038675800000000, 0.0039852800000000 ] - [ -0.0032979300000000, -0.0035484700000000, -0.0020928200000000 ] - [ 0.0063926600000000, -0.0139051200000000, -0.0142701000000000 ] - [ -0.0001430900000000, -0.0002337800000000, 0.0000470200000000 ] - [ -0.0002008300000000, 0.0003193300000000, 0.0007541400000000 ] - [ -0.0000112700000000, 0.0031056900000000, -0.0020714500000000 ] - [ 0.0037549100000000, 0.0067995300000000, -0.0118460400000000 ] - [ 0.0005806600000000, -0.0001449200000000, 0.0012044700000000 ] - [ 0.0004835000000000, 0.0002514600000000, 0.0002477900000000 ] - [ -0.0000562700000000, -0.0004639200000000, 0.0022943300000000 ] - [ 0.0001489400000000, -0.0005348700000000, 0.0018148900000000 ] - [ -0.0000464800000000, 0.0001805600000000, 0.0013702700000000 ] - [ 0.0000052500000000, 0.0005540800000000, 0.0016342300000000 ] - [ -0.0004233800000000, -0.0011639900000000, 0.0021764400000000 ] - [ -0.0003517100000000, -0.0009828700000000, 0.0018118800000000 ] - [ -0.0000183000000000, -0.0005552200000000, 0.0013420600000000 ] - [ -0.0000271800000000, -0.0003030700000000, 0.0011666600000000 ] - [ 0.0056076900000000, -0.0087493200000000, -0.0151030200000000 ] - [ -0.0015359100000000, -0.0023079600000000, -0.0026680300000000 ] - [ 0.0004269000000000, -0.0005505400000000, 0.0013277900000000 ] - [ 0.0012132400000000, 0.0007114100000000, 0.0020271000000000 ] - [ 0.0018119500000000, 0.0018954800000000, 0.0001862300000000 ] - [ 0.0045843100000000, -0.0012436300000000, -0.0004181100000000 ] - [ -0.0007129100000000, 0.0008268500000000, -0.0020006700000000 ] - [ -0.0078763000000000, 0.0026568600000000, -0.0013170500000000 ] - [ 0.0002706300000000, -0.0003977300000000, 0.0008943600000000 ] - [ 0.0001812800000000, -0.0002883800000000, 0.0011910600000000 ] - [ 0.0003205800000000, 0.0001046600000000, 0.0004962500000000 ] - [ -0.0001639400000000, -0.0001465500000000, 0.0022845500000000 ] - [ 0.0002616400000000, -0.0003533200000000, 0.0014721700000000 ] - [ 0.0006237900000000, -0.0004927200000000, 0.0020295700000000 ] - [ 0.0003888500000000, 0.0002209000000000, 0.0013036800000000 ] - [ 0.0004671800000000, 0.0002365500000000, 0.0015429300000000 ] - [ -0.0006010000000000, -0.0012147400000000, -0.0009639800000000 ] - [ -0.0025000600000000, 0.0015632500000000, 0.0046634800000000 ] - [ -0.0004588200000000, 0.0009388700000000, 0.0010993300000000 ] - [ -0.0001531200000000, -0.0000191400000000, 0.0012394200000000 ]- atom: 3 displacement: [ 0.0099999541101204, 0.0000000000000000, -0.0000302951396548 ] forces: - [ 0.0143426100000000, 0.0075665500000000, 0.0000929000000000 ] - [ 0.0021083200000000, -0.0024377800000000, 0.0001030000000000 ] - [ -0.1345320200000000, 0.0124164100000000, -0.0103447800000000 ] - [ -0.0014971700000000, 0.0000222700000000, -0.0000742300000000 ] - [ 0.0026261600000000, 0.0051362300000000, -0.0035193900000000 ] - [ -0.0012279100000000, -0.0026661300000000, -0.0029699300000000 ] - [ 0.0048249100000000, 0.0020123700000000, 0.0011681000000000 ] - [ 0.0030461600000000, -0.0015514900000000, 0.0011018100000000 ] - [ -0.0001646100000000, -0.0000200500000000, 0.0001614000000000 ] - [ -0.0001400000000000, 0.0000115500000000, 0.0003992600000000 ] - [ -0.0014639100000000, -0.0017037800000000, 0.0026340100000000 ] - [ -0.0006227700000000, 0.0006434100000000, -0.0000093600000000 ] - [ -0.0002342100000000, 0.0001611100000000, -0.0004357600000000 ] - [ -0.0003800200000000, -0.0001433300000000, -0.0003900800000000 ] - [ 0.0001244900000000, -0.0000229500000000, -0.0002578800000000 ] - [ 0.0000465000000000, -0.0000276300000000, -0.0001670400000000 ] - [ 0.0003070700000000, -0.0001097000000000, 0.0001213500000000 ] - [ 0.0006085100000000, -0.0003204900000000, 0.0000366700000000 ] - [ -0.0035263700000000, -0.0000967200000000, 0.0002779000000000 ] - [ -0.0035127500000000, -0.0018220800000000, 0.0036561100000000 ] - [ -0.0001626900000000, 0.0001835200000000, -0.0003049500000000 ] - [ -0.0000636700000000, -0.0000132200000000, -0.0002427400000000 ] - [ -0.0019971500000000, 0.0012746200000000, -0.0022579900000000 ] - [ -0.0002815400000000, -0.0004181400000000, -0.0003439500000000 ] - [ -0.0008426100000000, -0.0016621900000000, -0.0052508700000000 ] - [ 0.0002366000000000, 0.0005154100000000, -0.0008198700000000 ] - [ 0.0015701500000000, 0.0024071900000000, 0.0007846900000000 ] - [ 0.0323396500000000, -0.0153037100000000, 0.0062659700000000 ] - [ -0.0007343200000000, 0.0003256400000000, 0.0006163700000000 ] - [ -0.0005837600000000, 0.0000770100000000, 0.0001716300000000 ] - [ -0.0002557800000000, -0.0002635100000000, -0.0010298300000000 ] - [ -0.0002283700000000, -0.0000752700000000, -0.0005454700000000 ] - [ -0.0127964600000000, -0.0035329300000000, 0.0033100300000000 ] - [ -0.0041393400000000, 0.0105540400000000, 0.0026866100000000 ] - [ -0.0009296300000000, 0.0009364000000000, 0.0017703500000000 ] - [ -0.0008395000000000, -0.0007662500000000, 0.0004881000000000 ] - [ 0.0073596600000000, -0.0227419800000000, -0.0251179200000000 ] - [ -0.0008942400000000, 0.0002999300000000, -0.0009471700000000 ] - [ 0.0003675500000000, -0.0001187400000000, -0.0003020300000000 ] - [ 0.0003982900000000, -0.0002421500000000, -0.0001548800000000 ] - [ 0.0003692300000000, 0.0000349200000000, 0.0001909200000000 ] - [ 0.0004568300000000, 0.0004187400000000, 0.0003845500000000 ] - [ -0.0000329900000000, -0.0001210000000000, -0.0003565300000000 ] - [ 0.0002163700000000, 0.0002181800000000, -0.0001500000000000 ] - [ -0.0002150300000000, -0.0001872200000000, 0.0002191700000000 ] - [ 0.0001708700000000, -0.0001073100000000, 0.0002724100000000 ] - [ 0.0004201600000000, -0.0001267600000000, 0.0001590800000000 ] - [ 0.0003430500000000, -0.0001650700000000, 0.0001088700000000 ] - [ 0.0003720200000000, -0.0001589900000000, 0.0000778100000000 ] - [ 0.0001930500000000, -0.0002611800000000, 0.0000407600000000 ] - [ 0.0000236300000000, -0.0004248100000000, -0.0000488000000000 ] - [ 0.0000522000000000, -0.0005064800000000, -0.0000750200000000 ] - [ 0.0034853200000000, 0.0004588400000000, 0.0005279500000000 ] - [ 0.0009103500000000, 0.0000582400000000, 0.0000878500000000 ] - [ 0.0024018900000000, -0.0005633200000000, 0.0014047000000000 ] - [ 0.0008876400000000, 0.0014677700000000, -0.0000337400000000 ] - [ -0.0051653900000000, -0.0007214800000000, -0.0017273300000000 ] - [ -0.0015015100000000, -0.0005437900000000, -0.0001157100000000 ] - [ 0.0444429000000000, 0.0097448700000000, -0.0257231800000000 ] - [ 0.0003173700000000, 0.0009833200000000, 0.0004286400000000 ] - [ -0.0001391400000000, -0.0001903500000000, 0.0002986900000000 ] - [ -0.0001516200000000, -0.0001254900000000, 0.0001921300000000 ] - [ -0.0004458400000000, -0.0010580400000000, -0.0011814900000000 ] - [ -0.0048200700000000, 0.0084538500000000, -0.0058542600000000 ] - [ 0.0000911700000000, -0.0000664400000000, 0.0001915100000000 ] - [ 0.0000634300000000, -0.0000317100000000, 0.0001331900000000 ] - [ -0.0014365400000000, -0.0012485500000000, -0.0003853000000000 ] - [ -0.0070039200000000, 0.0044228200000000, 0.0031958000000000 ] - [ 0.0003372900000000, -0.0002549300000000, -0.0017245300000000 ] - [ 0.0005464900000000, 0.0007551400000000, -0.0009828200000000 ] - [ 0.0001286700000000, -0.0000041700000000, 0.0000228500000000 ] - [ 0.0000917700000000, -0.0001385000000000, -0.0001126100000000 ] - [ 0.0000731000000000, -0.0003078900000000, -0.0009855000000000 ] - [ 0.0001596200000000, -0.0002826800000000, -0.0004022400000000 ] - [ 0.0051812500000000, 0.0026678400000000, 0.0053406100000000 ] - [ 0.0023116400000000, -0.0010985400000000, 0.0006337500000000 ] - [ -0.0005000600000000, -0.0001154100000000, 0.0005902600000000 ] - [ -0.0004053300000000, -0.0001448100000000, 0.0004173100000000 ] - [ 0.0012850000000000, -0.0005146000000000, -0.0011467800000000 ] - [ 0.0006468000000000, 0.0007172800000000, 0.0001831400000000 ] - [ -0.0005875500000000, 0.0001978500000000, -0.0000417100000000 ] - [ -0.0005187500000000, 0.0003037700000000, -0.0000355600000000 ] - [ 0.0012666000000000, -0.0001227800000000, 0.0006627400000000 ] - [ 0.0003162700000000, -0.0003320000000000, 0.0001020800000000 ] - [ -0.0024991000000000, 0.0004709800000000, 0.0042133600000000 ] - [ -0.0002382100000000, 0.0005165000000000, 0.0008339000000000 ] - [ 0.0553566100000000, -0.0237961600000000, 0.0396346400000000 ] - [ 0.0005218700000000, -0.0001849500000000, 0.0000131200000000 ] - [ 0.0004213400000000, -0.0001478600000000, 0.0005748100000000 ] - [ 0.0002933100000000, -0.0001894600000000, 0.0001548300000000 ] - [ -0.0024019300000000, 0.0010631800000000, 0.0082579300000000 ] - [ 0.0000829700000000, 0.0003401900000000, 0.0000544400000000 ] - [ 0.0023517600000000, 0.0033553300000000, -0.0026308600000000 ] - [ -0.0002187300000000, -0.0032527500000000, -0.0014859600000000 ] - [ -0.0001254500000000, -0.0007270900000000, 0.0007344900000000 ] - [ 0.0004725600000000, 0.0003948000000000, 0.0012117100000000 ] - [ -0.0054210200000000, 0.0054111200000000, 0.0019212500000000 ] - [ -0.0013777900000000, -0.0011636800000000, 0.0007746100000000 ] - [ -0.0005901800000000, 0.0001971300000000, 0.0012628300000000 ] - [ -0.0000099600000000, -0.0002722900000000, -0.0000113100000000 ] - [ 0.0000405200000000, -0.0001072000000000, -0.0001375000000000 ] - [ 0.0000525400000000, 0.0001155500000000, 0.0000652600000000 ] - [ 0.0000039700000000, -0.0003133700000000, 0.0000013600000000 ] - [ 0.0000070500000000, -0.0002170000000000, -0.0000065700000000 ] - [ -0.0000229900000000, -0.0003760600000000, 0.0000962800000000 ] - [ -0.0000672700000000, -0.0003782900000000, 0.0002015700000000 ] - [ -0.0002899900000000, -0.0000398300000000, 0.0001281900000000 ] - [ -0.0002626000000000, 0.0000396100000000, 0.0000032300000000 ] - [ -0.0119437300000000, -0.0014600900000000, -0.0015827700000000 ] - [ -0.0017701800000000, 0.0000828300000000, -0.0001844900000000 ] - [ 0.0001379200000000, 0.0001285200000000, -0.0001314500000000 ] - [ -0.0000742300000000, 0.0002040200000000, -0.0001686000000000 ] - [ 0.0065081300000000, 0.0059492000000000, 0.0038375600000000 ] - [ 0.0018577300000000, 0.0000494900000000, 0.0004840300000000 ] - [ 0.0090258800000000, 0.0078716300000000, -0.0037347800000000 ] - [ 0.0038146300000000, -0.0009317700000000, 0.0018020400000000 ] - [ 0.0002584700000000, -0.0001869900000000, 0.0000193700000000 ] - [ 0.0003429400000000, -0.0002169200000000, -0.0000505100000000 ] - [ -0.0003715200000000, 0.0002491400000000, 0.0003865300000000 ] - [ -0.0005180400000000, -0.0002349900000000, -0.0004676800000000 ] - [ 0.0001271300000000, 0.0004171800000000, 0.0003179000000000 ] - [ 0.0000343900000000, -0.0002903100000000, 0.0000730100000000 ] - [ 0.0004653000000000, -0.0000007200000000, 0.0003224700000000 ] - [ 0.0003830000000000, -0.0001496600000000, 0.0001511600000000 ] - [ 0.0022643300000000, 0.0003899100000000, 0.0001335400000000 ] - [ 0.0001181500000000, -0.0023652400000000, -0.0017401900000000 ] - [ 0.0003544600000000, -0.0004072500000000, 0.0000458800000000 ] - [ 0.0000119200000000, 0.0007010300000000, -0.0005223500000000 ]- atom: 3 displacement: [ -0.0099999541101204, 0.0000000000000000, 0.0000302951396548 ] forces: - [ -0.0145265500000000, -0.0074934600000000, -0.0003823400000000 ] - [ -0.0022310400000000, 0.0025695400000000, -0.0004229900000000 ] - [ 0.1344198900000000, -0.0105005800000000, 0.0053338400000000 ] - [ 0.0015698300000000, -0.0001315700000000, -0.0001288600000000 ] - [ -0.0026048100000000, -0.0050832800000000, 0.0036741700000000 ] - [ 0.0012480400000000, 0.0026708200000000, 0.0031385300000000 ] - [ -0.0046945200000000, -0.0018830400000000, -0.0008292900000000 ] - [ -0.0029229400000000, 0.0016828800000000, -0.0007677800000000 ] - [ 0.0002018000000000, 0.0000100500000000, 0.0000142300000000 ] - [ 0.0001774900000000, -0.0000208800000000, -0.0002237300000000 ] - [ 0.0014289700000000, 0.0016761600000000, -0.0027799800000000 ] - [ 0.0005817400000000, -0.0006537900000000, -0.0001635400000000 ] - [ 0.0001593500000000, -0.0000469100000000, 0.0006332200000000 ] - [ 0.0003060900000000, 0.0002550500000000, 0.0005871600000000 ] - [ -0.0002458300000000, -0.0001066700000000, -0.0000721600000000 ] - [ -0.0001689600000000, -0.0001017200000000, -0.0001624000000000 ] - [ -0.0001829500000000, -0.0000108400000000, 0.0002067500000000 ] - [ -0.0004804100000000, 0.0001969700000000, 0.0002895800000000 ] - [ 0.0034410700000000, -0.0000278200000000, -0.0000837200000000 ] - [ 0.0034348400000000, 0.0017066100000000, -0.0034594300000000 ] - [ 0.0002341200000000, -0.0000620900000000, 0.0001044600000000 ] - [ 0.0001352900000000, 0.0001334900000000, 0.0000425700000000 ] - [ 0.0019577400000000, -0.0012601200000000, 0.0020781600000000 ] - [ 0.0002439800000000, 0.0004283900000000, 0.0001665500000000 ] - [ 0.0009711900000000, 0.0014419100000000, 0.0054173600000000 ] - [ -0.0000856900000000, -0.0007117500000000, 0.0010409400000000 ] - [ -0.0008161400000000, -0.0022883200000000, -0.0009126000000000 ] - [ -0.0314637300000000, 0.0153312700000000, -0.0062590200000000 ] - [ -0.0000347900000000, -0.0004183500000000, -0.0004681400000000 ] - [ -0.0001844900000000, -0.0001779100000000, -0.0000281700000000 ] - [ 0.0001031900000000, 0.0000629300000000, 0.0008015100000000 ] - [ 0.0000759900000000, -0.0001222100000000, 0.0003186400000000 ] - [ 0.0127590400000000, 0.0036823600000000, -0.0035454200000000 ] - [ 0.0040624100000000, -0.0102841100000000, -0.0029217200000000 ] - [ 0.0010757000000000, -0.0007395900000000, -0.0015469300000000 ] - [ 0.0009897300000000, 0.0009655200000000, -0.0002655500000000 ] - [ -0.0081658600000000, 0.0228382000000000, 0.0253708300000000 ] - [ 0.0001403800000000, -0.0002017200000000, 0.0010922300000000 ] - [ 0.0003984800000000, 0.0000163000000000, 0.0001554300000000 ] - [ 0.0003691400000000, 0.0001437800000000, 0.0000104500000000 ] - [ -0.0003420100000000, 0.0008317200000000, -0.0000848000000000 ] - [ -0.0004301300000000, 0.0004489100000000, -0.0002791600000000 ] - [ -0.0004599400000000, 0.0004183900000000, 0.0002441300000000 ] - [ -0.0007084100000000, 0.0000802300000000, 0.0000381100000000 ] - [ -0.0002729500000000, -0.0001095200000000, -0.0003314800000000 ] - [ -0.0006600500000000, -0.0001900000000000, -0.0003839100000000 ] - [ 0.0000729700000000, -0.0001704800000000, -0.0000473400000000 ] - [ 0.0001515600000000, -0.0001317600000000, 0.0000033200000000 ] - [ -0.0003431700000000, -0.0007039200000000, 0.0000257000000000 ] - [ -0.0001664100000000, -0.0006049400000000, 0.0000643600000000 ] - [ -0.0000500400000000, -0.0004415000000000, -0.0000565800000000 ] - [ -0.0000782900000000, -0.0003593800000000, -0.0000303900000000 ] - [ -0.0030014100000000, -0.0001620300000000, -0.0004213100000000 ] - [ -0.0004184900000000, 0.0002400800000000, 0.0000222700000000 ] - [ -0.0024476800000000, 0.0014494300000000, -0.0015219000000000 ] - [ -0.0009132700000000, -0.0006001800000000, -0.0000715000000000 ] - [ 0.0043612000000000, 0.0002870900000000, 0.0015985000000000 ] - [ 0.0006749400000000, 0.0001064900000000, -0.0000229100000000 ] - [ -0.0470903500000000, -0.0092398700000000, 0.0282149900000000 ] - [ -0.0004870400000000, -0.0002897000000000, -0.0000657900000000 ] - [ -0.0000790800000000, -0.0001270400000000, 0.0001389400000000 ] - [ -0.0000560200000000, -0.0001956800000000, 0.0002537100000000 ] - [ 0.0006198100000000, 0.0017404400000000, 0.0008153800000000 ] - [ 0.0049912800000000, -0.0077836100000000, 0.0055005700000000 ] - [ -0.0001636100000000, -0.0001472700000000, -0.0000501000000000 ] - [ -0.0001416500000000, -0.0001838200000000, 0.0000056900000000 ] - [ 0.0012321400000000, 0.0015551800000000, 0.0008214600000000 ] - [ 0.0067955300000000, -0.0040879300000000, -0.0027618300000000 ] - [ 0.0004136600000000, 0.0004910700000000, 0.0010460300000000 ] - [ 0.0002001900000000, -0.0005198700000000, 0.0003080300000000 ] - [ 0.0001788400000000, 0.0000106500000000, 0.0000259900000000 ] - [ 0.0002163400000000, 0.0001305000000000, 0.0001513500000000 ] - [ 0.0001382000000000, -0.0000136300000000, 0.0005313300000000 ] - [ 0.0000526200000000, -0.0000327000000000, -0.0000345700000000 ] - [ -0.0046556400000000, -0.0021948400000000, -0.0053154400000000 ] - [ -0.0019238300000000, 0.0015049300000000, -0.0006676100000000 ] - [ -0.0002470900000000, -0.0001141200000000, 0.0000836500000000 ] - [ -0.0003402100000000, -0.0000904500000000, 0.0002573200000000 ] - [ -0.0015974800000000, 0.0007968200000000, 0.0009278100000000 ] - [ -0.0009658000000000, -0.0004318900000000, -0.0004020000000000 ] - [ -0.0002375400000000, 0.0002398700000000, -0.0000955100000000 ] - [ -0.0003057300000000, 0.0001374100000000, -0.0000950400000000 ] - [ -0.0015588000000000, -0.0001611200000000, -0.0008742900000000 ] - [ -0.0006329700000000, 0.0000452500000000, -0.0003158500000000 ] - [ 0.0023944300000000, -0.0002355400000000, -0.0034926700000000 ] - [ 0.0001251500000000, -0.0002819500000000, -0.0001582400000000 ] - [ -0.0527557200000000, 0.0224262600000000, -0.0372902300000000 ] - [ -0.0005827800000000, 0.0003957600000000, 0.0001319600000000 ] - [ -0.0000174600000000, -0.0002519600000000, -0.0006007300000000 ] - [ 0.0001103200000000, -0.0002161300000000, -0.0001821500000000 ] - [ 0.0026112800000000, -0.0007437900000000, -0.0086818200000000 ] - [ 0.0001223500000000, -0.0000237000000000, -0.0004895900000000 ] - [ -0.0031332400000000, -0.0031441700000000, 0.0033198800000000 ] - [ -0.0005518000000000, 0.0034930100000000, 0.0021751700000000 ] - [ -0.0002753900000000, 0.0003255400000000, -0.0007101300000000 ] - [ -0.0008679100000000, -0.0007821300000000, -0.0011812000000000 ] - [ 0.0057197400000000, -0.0054037700000000, -0.0018884400000000 ] - [ 0.0016778600000000, 0.0011639200000000, -0.0007304200000000 ] - [ 0.0013249900000000, -0.0004231700000000, -0.0019140000000000 ] - [ 0.0007573200000000, 0.0000399000000000, -0.0006612800000000 ] - [ -0.0001544500000000, -0.0001271100000000, 0.0008140700000000 ] - [ -0.0001699100000000, -0.0003629400000000, 0.0006127800000000 ] - [ 0.0001587700000000, -0.0003648200000000, -0.0003495500000000 ] - [ 0.0001553300000000, -0.0004723800000000, -0.0003517100000000 ] - [ -0.0001412200000000, -0.0003157100000000, 0.0002639300000000 ] - [ -0.0001020200000000, -0.0003011700000000, 0.0001493200000000 ] - [ -0.0000202400000000, 0.0000478100000000, -0.0001792300000000 ] - [ -0.0000386700000000, -0.0000364000000000, -0.0000520000000000 ] - [ 0.0116648300000000, 0.0014666400000000, 0.0015221700000000 ] - [ 0.0014550700000000, -0.0000886400000000, 0.0001357200000000 ] - [ 0.0006841700000000, 0.0003076200000000, 0.0002690000000000 ] - [ 0.0008984000000000, 0.0002302300000000, 0.0003092400000000 ] - [ -0.0064685100000000, -0.0057379800000000, -0.0039663200000000 ] - [ -0.0017843900000000, 0.0001625200000000, -0.0006212300000000 ] - [ -0.0089102800000000, -0.0078659700000000, 0.0040754500000000 ] - [ -0.0034945400000000, 0.0011973100000000, -0.0015816200000000 ] - [ -0.0001779500000000, -0.0000302100000000, -0.0001580400000000 ] - [ -0.0002679300000000, 0.0000026300000000, -0.0000916100000000 ] - [ 0.0011967700000000, -0.0006879000000000, -0.0002557400000000 ] - [ 0.0013417600000000, -0.0002064700000000, 0.0005989700000000 ] - [ -0.0000097700000000, -0.0001744900000000, -0.0009898800000000 ] - [ 0.0000818100000000, 0.0005254100000000, -0.0007443200000000 ] - [ -0.0001384100000000, -0.0002805200000000, -0.0001053500000000 ] - [ -0.0000699300000000, -0.0001354000000000, 0.0000671200000000 ] - [ -0.0021709900000000, -0.0006136200000000, -0.0008162000000000 ] - [ -0.0000096500000000, 0.0020991200000000, 0.0010603900000000 ] - [ -0.0007543700000000, 0.0008132400000000, -0.0000089600000000 ] - [ -0.0004138300000000, -0.0003015600000000, 0.0005452900000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0020234400000000, -0.0016409900000000, -0.0015784000000000 ] - [ -0.0012307900000000, 0.0031350000000000, 0.0021636700000000 ] - [ 0.0110727300000000, -0.0839368400000000, 0.0355146100000000 ] - [ 0.0001135100000000, 0.0071450700000000, 0.0002603300000000 ] - [ 0.0118872000000000, 0.0010944100000000, -0.0050517900000000 ] - [ -0.0029591900000000, 0.0025004600000000, 0.0030204500000000 ] - [ -0.0003295700000000, -0.0023625100000000, -0.0000422800000000 ] - [ -0.0003527600000000, 0.0020177000000000, -0.0002424000000000 ] - [ 0.0000647000000000, 0.0000601600000000, 0.0001031200000000 ] - [ 0.0000177600000000, 0.0000058200000000, -0.0001786100000000 ] - [ -0.0001833900000000, -0.0086154200000000, 0.0033033700000000 ] - [ -0.0005237800000000, 0.0041801600000000, -0.0013292900000000 ] - [ 0.0000644000000000, -0.0007032700000000, -0.0009789700000000 ] - [ -0.0002354500000000, 0.0007019300000000, 0.0005111500000000 ] - [ 0.0000047000000000, -0.0004011600000000, -0.0002799100000000 ] - [ -0.0000821900000000, 0.0002514400000000, -0.0002069800000000 ] - [ -0.0000190000000000, 0.0003681000000000, -0.0005141300000000 ] - [ 0.0004296200000000, -0.0004189800000000, 0.0004677600000000 ] - [ 0.0017409700000000, 0.0010094000000000, 0.0030903800000000 ] - [ -0.0000053800000000, 0.0010161100000000, -0.0032117000000000 ] - [ -0.0000861700000000, -0.0001254300000000, -0.0000916000000000 ] - [ 0.0001096200000000, 0.0002311300000000, -0.0002650700000000 ] - [ 0.0004103200000000, -0.0006622700000000, -0.0000020200000000 ] - [ -0.0002831900000000, 0.0006527000000000, -0.0001968600000000 ] - [ -0.0011763500000000, -0.0033869000000000, -0.0011159000000000 ] - [ 0.0008022900000000, 0.0038022800000000, 0.0004803700000000 ] - [ 0.0021124700000000, 0.0032337100000000, 0.0033693600000000 ] - [ -0.0138649100000000, 0.0090566700000000, -0.0035995300000000 ] - [ -0.0006968500000000, 0.0001609200000000, 0.0011866000000000 ] - [ -0.0005065700000000, 0.0003076000000000, -0.0008170400000000 ] - [ -0.0000109700000000, -0.0004461300000000, 0.0001750300000000 ] - [ -0.0001595300000000, 0.0001980700000000, -0.0004397200000000 ] - [ -0.0232274300000000, 0.0213112800000000, -0.0206556800000000 ] - [ 0.0073476700000000, 0.0212284100000000, 0.0089338100000000 ] - [ 0.0002292000000000, -0.0014631500000000, -0.0008929400000000 ] - [ 0.0004378700000000, 0.0012857000000000, 0.0002691100000000 ] - [ -0.0111993700000000, -0.0081767300000000, 0.0025479600000000 ] - [ 0.0014174900000000, 0.0044054000000000, 0.0004090900000000 ] - [ 0.0004794100000000, -0.0005875900000000, -0.0004867500000000 ] - [ 0.0003786000000000, 0.0003645000000000, -0.0001420000000000 ] - [ -0.0000001900000000, 0.0006421700000000, 0.0001629200000000 ] - [ -0.0000515100000000, 0.0003133000000000, -0.0001758700000000 ] - [ -0.0002636200000000, 0.0001744400000000, -0.0000062400000000 ] - [ -0.0004294100000000, 0.0001320700000000, -0.0001486800000000 ] - [ -0.0020393900000000, -0.0001288300000000, -0.0009230700000000 ] - [ 0.0007871700000000, -0.0000712300000000, 0.0005591000000000 ] - [ 0.0001814000000000, -0.0001809000000000, -0.0000175800000000 ] - [ 0.0002372800000000, -0.0001250000000000, 0.0000418000000000 ] - [ -0.0001730600000000, -0.0010698300000000, -0.0000543200000000 ] - [ 0.0002986400000000, 0.0001780100000000, 0.0001306400000000 ] - [ 0.0000014100000000, -0.0004582800000000, -0.0000593400000000 ] - [ -0.0000426500000000, -0.0003973000000000, -0.0000724500000000 ] - [ 0.0006355600000000, 0.0000247900000000, 0.0005137500000000 ] - [ 0.0002258400000000, 0.0003123300000000, 0.0000169800000000 ] - [ -0.0019947800000000, -0.0024819600000000, -0.0005216500000000 ] - [ 0.0013643900000000, 0.0027253200000000, 0.0002984600000000 ] - [ -0.0003868300000000, 0.0022322800000000, -0.0005782200000000 ] - [ -0.0007812800000000, -0.0027030900000000, 0.0000668800000000 ] - [ 0.0081397200000000, 0.0068519000000000, -0.0006209700000000 ] - [ -0.0002046800000000, -0.0024189600000000, -0.0009906600000000 ] - [ -0.0001512300000000, -0.0000969500000000, 0.0003623700000000 ] - [ -0.0000992000000000, -0.0002983200000000, 0.0003701000000000 ] - [ -0.0009433500000000, 0.0004107000000000, -0.0013865300000000 ] - [ 0.0015279300000000, -0.0023814700000000, 0.0017709400000000 ] - [ 0.0000794100000000, 0.0001016700000000, 0.0001852200000000 ] - [ -0.0000965400000000, -0.0002599100000000, 0.0001084200000000 ] - [ -0.0020434000000000, -0.0014998900000000, -0.0019443400000000 ] - [ 0.0025241100000000, -0.0013637500000000, -0.0006387000000000 ] - [ 0.0002199200000000, 0.0006872000000000, 0.0004053900000000 ] - [ 0.0002784700000000, -0.0004463700000000, -0.0003717900000000 ] - [ 0.0001977500000000, 0.0000793600000000, 0.0003101700000000 ] - [ 0.0001110000000000, -0.0001993000000000, -0.0002468500000000 ] - [ -0.0001568800000000, 0.0001207400000000, -0.0017251000000000 ] - [ 0.0001764000000000, -0.0007288600000000, 0.0003094100000000 ] - [ 0.0014071400000000, 0.0071608800000000, 0.0050664800000000 ] - [ 0.0019287300000000, -0.0099940400000000, 0.0029607800000000 ] - [ -0.0003149200000000, -0.0000199400000000, 0.0002709300000000 ] - [ -0.0003592000000000, -0.0001971200000000, 0.0003895700000000 ] - [ -0.0002610300000000, 0.0010322000000000, 0.0008064700000000 ] - [ -0.0003583800000000, -0.0007009000000000, -0.0006105400000000 ] - [ -0.0003806900000000, 0.0003051200000000, -0.0000146700000000 ] - [ -0.0003839900000000, 0.0001493400000000, -0.0000387300000000 ] - [ 0.0001839500000000, 0.0015358000000000, -0.0002670200000000 ] - [ 0.0002345000000000, -0.0015317500000000, 0.0001693000000000 ] - [ -0.0011160300000000, 0.0036906100000000, 0.0016775800000000 ] - [ 0.0001159700000000, -0.0019300300000000, -0.0005345800000000 ] - [ -0.0236984900000000, 0.0086547500000000, -0.0152454600000000 ] - [ -0.0003649500000000, -0.0020225400000000, -0.0006846200000000 ] - [ 0.0001435500000000, 0.0000572600000000, -0.0000170600000000 ] - [ 0.0002391600000000, -0.0003979300000000, 0.0000837000000000 ] - [ 0.0011968900000000, 0.0018975800000000, -0.0006194100000000 ] - [ -0.0002794000000000, -0.0010053500000000, 0.0003753400000000 ] - [ 0.0073721300000000, -0.0023989700000000, 0.0006487400000000 ] - [ -0.0039500700000000, -0.0033509300000000, 0.0004841000000000 ] - [ -0.0014418800000000, -0.0026651800000000, 0.0022656300000000 ] - [ 0.0008799400000000, 0.0011521600000000, -0.0010097600000000 ] - [ 0.0008970200000000, 0.0027342000000000, -0.0003813900000000 ] - [ 0.0001519900000000, -0.0014206500000000, 0.0007779900000000 ] - [ 0.0005026700000000, 0.0006797700000000, 0.0000598500000000 ] - [ -0.0001249100000000, -0.0011539400000000, -0.0002100100000000 ] - [ -0.0000359200000000, 0.0000774600000000, 0.0006378600000000 ] - [ -0.0001074300000000, -0.0003545100000000, 0.0003628300000000 ] - [ 0.0000325400000000, -0.0000245900000000, 0.0002721000000000 ] - [ 0.0000681100000000, -0.0005550400000000, -0.0003361100000000 ] - [ 0.0000560900000000, -0.0001023100000000, -0.0001782400000000 ] - [ -0.0001086600000000, -0.0006880300000000, 0.0005446800000000 ] - [ -0.0003221000000000, 0.0002578800000000, 0.0000081000000000 ] - [ -0.0001404500000000, -0.0002368300000000, 0.0001057500000000 ] - [ 0.0056977400000000, 0.0010115400000000, 0.0011801400000000 ] - [ -0.0011505200000000, -0.0018761800000000, -0.0011676300000000 ] - [ 0.0015885300000000, 0.0003424700000000, 0.0009431800000000 ] - [ -0.0003697800000000, -0.0000204600000000, -0.0004667600000000 ] - [ 0.0043402400000000, 0.0017384500000000, -0.0041841900000000 ] - [ -0.0015863600000000, -0.0023010000000000, 0.0008838700000000 ] - [ 0.0129799400000000, 0.0381340200000000, -0.0163245300000000 ] - [ 0.0007744800000000, -0.0060393600000000, -0.0007025400000000 ] - [ 0.0001921400000000, -0.0002387100000000, 0.0003521800000000 ] - [ 0.0001351600000000, -0.0001527000000000, -0.0003372600000000 ] - [ 0.0003930400000000, -0.0002903400000000, -0.0001996900000000 ] - [ 0.0006399900000000, -0.0001833000000000, 0.0005404800000000 ] - [ 0.0000993200000000, 0.0000361500000000, -0.0006216400000000 ] - [ 0.0001139100000000, 0.0001221700000000, -0.0000457100000000 ] - [ 0.0000967300000000, -0.0001334200000000, 0.0000894300000000 ] - [ 0.0001643200000000, -0.0001442700000000, 0.0002061900000000 ] - [ 0.0047701500000000, 0.0018605500000000, 0.0075705200000000 ] - [ -0.0010202900000000, -0.0055351800000000, -0.0042539300000000 ] - [ -0.0005629800000000, 0.0010981100000000, -0.0003896600000000 ] - [ -0.0000971100000000, -0.0005358500000000, 0.0004905600000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0021425700000000, 0.0018035600000000, 0.0012712500000000 ] - [ 0.0010988500000000, -0.0030139300000000, -0.0024732000000000 ] - [ -0.0120203300000000, 0.0812767600000000, -0.0333294500000000 ] - [ -0.0000480000000000, -0.0072785800000000, -0.0004536500000000 ] - [ -0.0118136000000000, -0.0010862300000000, 0.0052065900000000 ] - [ 0.0030315400000000, -0.0024761800000000, -0.0028497200000000 ] - [ 0.0004548300000000, 0.0024761000000000, 0.0003594900000000 ] - [ 0.0004683200000000, -0.0018815600000000, 0.0005626000000000 ] - [ -0.0000204500000000, -0.0000718500000000, 0.0000780300000000 ] - [ 0.0000270700000000, -0.0000160500000000, 0.0003596400000000 ] - [ 0.0001439700000000, 0.0085888200000000, -0.0034602700000000 ] - [ 0.0004744500000000, -0.0041914100000000, 0.0011458600000000 ] - [ -0.0001342300000000, 0.0008116500000000, 0.0011706700000000 ] - [ 0.0001655900000000, -0.0005889600000000, -0.0003189800000000 ] - [ -0.0001260200000000, 0.0002715400000000, -0.0000398600000000 ] - [ -0.0000388100000000, -0.0003798300000000, -0.0001121200000000 ] - [ 0.0001399600000000, -0.0004891700000000, 0.0008318200000000 ] - [ -0.0003079700000000, 0.0002998900000000, -0.0001472100000000 ] - [ -0.0018021600000000, -0.0011293000000000, -0.0028822200000000 ] - [ -0.0000503800000000, -0.0011225900000000, 0.0034065800000000 ] - [ 0.0001561300000000, 0.0002440600000000, -0.0001003600000000 ] - [ -0.0000398700000000, -0.0001127200000000, 0.0000733400000000 ] - [ -0.0004562500000000, 0.0006742800000000, -0.0001840800000000 ] - [ 0.0002389600000000, -0.0006429500000000, 0.0000209000000000 ] - [ 0.0013419900000000, 0.0032022300000000, 0.0013433500000000 ] - [ -0.0006403800000000, -0.0040039200000000, -0.0002795500000000 ] - [ -0.0012930700000000, -0.0031339900000000, -0.0034922300000000 ] - [ 0.0146638500000000, -0.0089085600000000, 0.0034987200000000 ] - [ -0.0000948700000000, -0.0002611500000000, -0.0010546400000000 ] - [ -0.0002859800000000, -0.0004149600000000, 0.0009451700000000 ] - [ -0.0001532500000000, 0.0002453300000000, -0.0003850500000000 ] - [ -0.0000063800000000, -0.0003922600000000, 0.0002282600000000 ] - [ 0.0230721500000000, -0.0209627200000000, 0.0202857200000000 ] - [ -0.0075924000000000, -0.0210117700000000, -0.0093438200000000 ] - [ -0.0000630400000000, 0.0016526100000000, 0.0010951800000000 ] - [ -0.0002683200000000, -0.0010847200000000, -0.0000563800000000 ] - [ 0.0103894700000000, 0.0081113600000000, -0.0024910000000000 ] - [ -0.0022372400000000, -0.0043021800000000, -0.0002745500000000 ] - [ 0.0003160700000000, 0.0004807100000000, 0.0003548300000000 ] - [ 0.0004146900000000, -0.0004651200000000, 0.0000118200000000 ] - [ 0.0000269900000000, 0.0002291800000000, -0.0000525900000000 ] - [ 0.0000768200000000, 0.0005609400000000, 0.0002836600000000 ] - [ -0.0002304300000000, 0.0001238000000000, -0.0001017900000000 ] - [ -0.0000637900000000, 0.0001681400000000, 0.0000414100000000 ] - [ 0.0015428900000000, -0.0001725900000000, 0.0008134200000000 ] - [ -0.0012773500000000, -0.0002292100000000, -0.0006670900000000 ] - [ 0.0003082800000000, -0.0001199000000000, 0.0001242800000000 ] - [ 0.0002565500000000, -0.0001754200000000, 0.0000656100000000 ] - [ 0.0001980400000000, 0.0001942300000000, 0.0001635700000000 ] - [ -0.0002729900000000, -0.0010529700000000, -0.0000229600000000 ] - [ -0.0000264500000000, -0.0004177600000000, -0.0000488200000000 ] - [ 0.0000170600000000, -0.0004764200000000, -0.0000367600000000 ] - [ -0.0001444900000000, 0.0002751000000000, -0.0004060400000000 ] - [ 0.0002621900000000, -0.0000121600000000, 0.0000894500000000 ] - [ 0.0019697800000000, 0.0033357900000000, 0.0004161400000000 ] - [ -0.0013910100000000, -0.0018522200000000, -0.0004059600000000 ] - [ -0.0004558600000000, -0.0026280800000000, 0.0003962100000000 ] - [ -0.0000526700000000, 0.0022973800000000, -0.0002400200000000 ] - [ -0.0079177400000000, -0.0060646500000000, 0.0007762800000000 ] - [ 0.0000603500000000, 0.0031339900000000, 0.0013691500000000 ] - [ -0.0000587700000000, -0.0002240200000000, 0.0000891500000000 ] - [ -0.0001086700000000, -0.0000200700000000, 0.0000813000000000 ] - [ 0.0010873200000000, 0.0003112300000000, 0.0009973800000000 ] - [ -0.0013676200000000, 0.0030533800000000, -0.0021347800000000 ] - [ -0.0001532100000000, -0.0003244700000000, -0.0000373800000000 ] - [ 0.0000197100000000, 0.0000364800000000, 0.0000413100000000 ] - [ 0.0018318600000000, 0.0018205400000000, 0.0023986700000000 ] - [ -0.0027212300000000, 0.0016583700000000, 0.0010705000000000 ] - [ 0.0005118900000000, -0.0004730200000000, -0.0010532500000000 ] - [ 0.0004516000000000, 0.0006566000000000, -0.0002802400000000 ] - [ 0.0001593000000000, -0.0000478900000000, -0.0002511400000000 ] - [ 0.0002429800000000, 0.0002270300000000, 0.0003028800000000 ] - [ 0.0003659700000000, -0.0004397600000000, 0.0012697800000000 ] - [ 0.0000279600000000, 0.0004098100000000, -0.0007563100000000 ] - [ -0.0011410500000000, -0.0069307100000000, -0.0054654300000000 ] - [ -0.0015420200000000, 0.0104319400000000, -0.0029806400000000 ] - [ -0.0004194000000000, -0.0001911600000000, 0.0003812700000000 ] - [ -0.0003708500000000, -0.0000147100000000, 0.0002620400000000 ] - [ -0.0000508600000000, -0.0007448200000000, -0.0010229900000000 ] - [ 0.0000439400000000, 0.0009860900000000, 0.0003856900000000 ] - [ -0.0004540800000000, 0.0000980300000000, -0.0001597900000000 ] - [ -0.0004543100000000, 0.0002489300000000, -0.0001381000000000 ] - [ -0.0004949400000000, -0.0018222600000000, 0.0000420200000000 ] - [ -0.0005442000000000, 0.0012420300000000, -0.0003852700000000 ] - [ 0.0010078600000000, -0.0034643500000000, -0.0009974800000000 ] - [ -0.0002295700000000, 0.0021544400000000, 0.0012317900000000 ] - [ 0.0238006400000000, -0.0081746000000000, 0.0155638900000000 ] - [ 0.0002756600000000, 0.0022441500000000, 0.0008327400000000 ] - [ 0.0002652800000000, -0.0004573200000000, 0.0000026100000000 ] - [ 0.0001702300000000, -0.0000076000000000, -0.0001012400000000 ] - [ -0.0009923600000000, -0.0015627700000000, 0.0002003300000000 ] - [ 0.0004873200000000, 0.0013194400000000, -0.0008255800000000 ] - [ -0.0080795700000000, 0.0026161000000000, 0.0000158300000000 ] - [ 0.0032253200000000, 0.0035466800000000, 0.0001858100000000 ] - [ 0.0010342100000000, 0.0022685400000000, -0.0022512600000000 ] - [ -0.0012879500000000, -0.0015626300000000, 0.0010256100000000 ] - [ -0.0005448000000000, -0.0027404800000000, 0.0004380400000000 ] - [ 0.0002115500000000, 0.0013779900000000, -0.0007216900000000 ] - [ 0.0002292800000000, -0.0008941800000000, -0.0007152300000000 ] - [ 0.0008585500000000, 0.0009429900000000, -0.0004402000000000 ] - [ -0.0000760000000000, -0.0002978600000000, 0.0000550700000000 ] - [ -0.0000048200000000, 0.0001319400000000, 0.0003284500000000 ] - [ 0.0001159000000000, -0.0006806600000000, -0.0006474800000000 ] - [ 0.0000818700000000, -0.0001626300000000, -0.0000477500000000 ] - [ -0.0002050600000000, -0.0006156500000000, 0.0005613400000000 ] - [ -0.0000419200000000, -0.0000218200000000, -0.0001676200000000 ] - [ -0.0000353500000000, -0.0002234000000000, -0.0000706500000000 ] - [ -0.0002103300000000, 0.0002693200000000, -0.0001653300000000 ] - [ -0.0060379100000000, -0.0010428500000000, -0.0012379100000000 ] - [ 0.0007886300000000, 0.0018384900000000, 0.0011047400000000 ] - [ -0.0007468100000000, 0.0000569500000000, -0.0007638900000000 ] - [ 0.0012067900000000, 0.0004194200000000, 0.0006430600000000 ] - [ -0.0042163100000000, -0.0014684200000000, 0.0040144100000000 ] - [ 0.0016705700000000, 0.0025284200000000, -0.0010504300000000 ] - [ -0.0121491200000000, -0.0354807000000000, 0.0149207400000000 ] - [ -0.0004434100000000, 0.0063286600000000, 0.0009615000000000 ] - [ -0.0001177900000000, 0.0000159200000000, -0.0005026700000000 ] - [ -0.0000609300000000, -0.0000684600000000, 0.0001852900000000 ] - [ 0.0004444100000000, -0.0001070600000000, 0.0003752400000000 ] - [ 0.0001985200000000, -0.0002198600000000, -0.0003630100000000 ] - [ 0.0000145100000000, 0.0001866400000000, -0.0000673600000000 ] - [ -0.0000009300000000, 0.0000965800000000, -0.0006406600000000 ] - [ 0.0002160700000000, -0.0001544100000000, 0.0001287600000000 ] - [ 0.0001448200000000, -0.0001434200000000, 0.0000139000000000 ] - [ -0.0046498500000000, -0.0020793400000000, -0.0082416000000000 ] - [ 0.0011308600000000, 0.0052724100000000, 0.0035670900000000 ] - [ 0.0001533600000000, -0.0006949600000000, 0.0004045600000000 ] - [ -0.0003112000000000, 0.0009293400000000, -0.0004770800000000 ]- atom: 3 displacement: [ -0.0009337289454915, 0.0000000000000000, 0.0099563120811047 ] forces: - [ -0.0037465400000000, -0.0061166200000000, -0.0092724800000000 ] - [ 0.0003342200000000, 0.0012945600000000, -0.0056423700000000 ] - [ 0.0051544700000000, 0.0332932500000000, -0.1112183400000000 ] - [ 0.0001813800000000, 0.0002824000000000, -0.0057015500000000 ] - [ -0.0075219200000000, -0.0040978500000000, -0.0004811300000000 ] - [ -0.0037995400000000, 0.0005289500000000, -0.0035922700000000 ] - [ -0.0014242200000000, 0.0011043200000000, 0.0011264900000000 ] - [ 0.0005851900000000, -0.0012874200000000, 0.0000928500000000 ] - [ 0.0002136500000000, 0.0001262300000000, 0.0024107300000000 ] - [ 0.0001188900000000, -0.0005593100000000, 0.0022466500000000 ] - [ 0.0010862600000000, -0.0030379900000000, 0.0113460900000000 ] - [ -0.0006537000000000, 0.0011337500000000, 0.0015910600000000 ] - [ -0.0005346700000000, -0.0010101800000000, 0.0022678600000000 ] - [ -0.0004753700000000, 0.0004941800000000, 0.0020117800000000 ] - [ -0.0000973000000000, -0.0001130800000000, 0.0020778400000000 ] - [ -0.0000968800000000, 0.0001209600000000, 0.0019047000000000 ] - [ 0.0002057900000000, -0.0003357000000000, 0.0017230600000000 ] - [ 0.0003311800000000, 0.0001764700000000, 0.0020663600000000 ] - [ 0.0038625000000000, 0.0032397700000000, 0.0030742100000000 ] - [ 0.0004925200000000, -0.0028843100000000, 0.0027499200000000 ] - [ -0.0001503000000000, 0.0000535100000000, 0.0023812600000000 ] - [ -0.0000981500000000, 0.0002443300000000, 0.0020272700000000 ] - [ 0.0000695600000000, -0.0010517500000000, 0.0038388400000000 ] - [ -0.0003080600000000, 0.0005651900000000, 0.0013492600000000 ] - [ -0.0030705000000000, 0.0014725700000000, 0.0031006600000000 ] - [ -0.0012134700000000, -0.0014372500000000, -0.0005374700000000 ] - [ 0.0000657900000000, 0.0018934300000000, -0.0073126000000000 ] - [ 0.0100654000000000, -0.0081504000000000, -0.0026119300000000 ] - [ -0.0008635500000000, 0.0005114900000000, 0.0050539800000000 ] - [ -0.0003049500000000, -0.0004579200000000, 0.0034934600000000 ] - [ -0.0004111400000000, 0.0002856600000000, 0.0032894500000000 ] - [ -0.0003872200000000, -0.0003455600000000, 0.0031014200000000 ] - [ 0.0144159300000000, -0.0137946900000000, 0.0024979900000000 ] - [ 0.0091380900000000, 0.0306702400000000, -0.0074716600000000 ] - [ 0.0016454100000000, 0.0006742400000000, 0.0041841700000000 ] - [ 0.0008648400000000, -0.0001168100000000, 0.0021215700000000 ] - [ -0.0192723300000000, 0.0141346900000000, 0.0176455600000000 ] - [ -0.0017403600000000, -0.0037403900000000, -0.0027990400000000 ] - [ 0.0003924000000000, 0.0000138600000000, 0.0033312700000000 ] - [ 0.0003722800000000, 0.0002880900000000, 0.0030661200000000 ] - [ -0.0001411400000000, 0.0007220000000000, 0.0000769700000000 ] - [ 0.0001174000000000, 0.0000878000000000, 0.0004056500000000 ] - [ -0.0000513700000000, 0.0003857500000000, 0.0005267800000000 ] - [ 0.0000325600000000, 0.0000090800000000, 0.0003318400000000 ] - [ 0.0012280400000000, -0.0003006100000000, 0.0004784700000000 ] - [ 0.0010427100000000, -0.0001117600000000, 0.0004820900000000 ] - [ 0.0008679600000000, -0.0001179800000000, 0.0006475300000000 ] - [ 0.0006914600000000, -0.0001075000000000, 0.0005191900000000 ] - [ -0.0000950600000000, -0.0005711000000000, 0.0002049900000000 ] - [ 0.0001354800000000, -0.0002300200000000, 0.0001757100000000 ] - [ -0.0000108300000000, -0.0004814200000000, 0.0003151400000000 ] - [ -0.0000792500000000, -0.0003423400000000, 0.0002717800000000 ] - [ -0.0013841200000000, 0.0004013500000000, -0.0007733600000000 ] - [ -0.0000116600000000, 0.0000645300000000, -0.0004303800000000 ] - [ 0.0011097200000000, 0.0012970100000000, -0.0017065100000000 ] - [ 0.0008980400000000, 0.0014327200000000, -0.0004555700000000 ] - [ -0.0001541400000000, -0.0013194400000000, 0.0037348800000000 ] - [ -0.0009611900000000, -0.0007503100000000, 0.0010613500000000 ] - [ -0.0338050200000000, -0.0024052600000000, 0.0257396300000000 ] - [ -0.0006169600000000, 0.0015591100000000, 0.0035099600000000 ] - [ -0.0001397100000000, 0.0004503400000000, -0.0020197000000000 ] - [ -0.0001407200000000, 0.0004142900000000, -0.0018322700000000 ] - [ -0.0010472200000000, -0.0024842400000000, 0.0022168400000000 ] - [ -0.0019986400000000, 0.0034590900000000, -0.0014291600000000 ] - [ -0.0003773800000000, -0.0003524700000000, -0.0012164400000000 ] - [ -0.0004071300000000, -0.0004214300000000, -0.0010415600000000 ] - [ 0.0009199300000000, 0.0013664500000000, 0.0047537100000000 ] - [ -0.0028651800000000, 0.0043129400000000, 0.0066268000000000 ] - [ 0.0003222500000000, 0.0001159500000000, -0.0015605100000000 ] - [ 0.0004509100000000, 0.0001331300000000, -0.0007282700000000 ] - [ -0.0000250200000000, -0.0003901600000000, -0.0012754300000000 ] - [ -0.0001970900000000, -0.0008857200000000, -0.0016322400000000 ] - [ -0.0003089900000000, -0.0013052700000000, -0.0042773000000000 ] - [ 0.0000501100000000, -0.0007509100000000, -0.0024081500000000 ] - [ 0.0028892900000000, 0.0037123300000000, 0.0262470800000000 ] - [ -0.0012137100000000, 0.0042726600000000, -0.0001290400000000 ] - [ 0.0004708000000000, -0.0001112100000000, -0.0012943000000000 ] - [ 0.0003796100000000, 0.0000022700000000, -0.0012422700000000 ] - [ -0.0012231600000000, 0.0001156400000000, -0.0025814600000000 ] - [ -0.0007244100000000, -0.0007966300000000, -0.0012472600000000 ] - [ -0.0007676800000000, 0.0000425400000000, -0.0012088400000000 ] - [ -0.0006375500000000, -0.0000175200000000, -0.0009868000000000 ] - [ 0.0018512800000000, 0.0003730900000000, -0.0019404500000000 ] - [ 0.0006158900000000, -0.0001254900000000, -0.0004835300000000 ] - [ 0.0033234000000000, -0.0004439500000000, -0.0004997100000000 ] - [ 0.0006282000000000, 0.0004762500000000, 0.0013385600000000 ] - [ 0.0361258000000000, -0.0136603500000000, 0.0236522000000000 ] - [ 0.0012893400000000, -0.0007498300000000, 0.0027614300000000 ] - [ 0.0002535800000000, -0.0005411000000000, -0.0020490200000000 ] - [ 0.0002288100000000, -0.0002124100000000, -0.0014207000000000 ] - [ 0.0025615100000000, 0.0003269400000000, -0.0053015600000000 ] - [ 0.0003658200000000, 0.0005162900000000, -0.0001063000000000 ] - [ -0.0062660400000000, 0.0007986400000000, 0.0053255200000000 ] - [ -0.0063474200000000, -0.0034091900000000, 0.0067966400000000 ] - [ 0.0005729000000000, 0.0011233500000000, -0.0005969400000000 ] - [ 0.0009453000000000, -0.0013387700000000, -0.0004970400000000 ] - [ 0.0055324000000000, -0.0057550400000000, 0.0008133800000000 ] - [ 0.0001602700000000, 0.0018223200000000, 0.0008750400000000 ] - [ 0.0017217300000000, -0.0003493600000000, -0.0018283100000000 ] - [ 0.0008411000000000, 0.0000954300000000, -0.0007589300000000 ] - [ -0.0006727900000000, 0.0004885700000000, -0.0020196300000000 ] - [ -0.0004569400000000, 0.0001803300000000, -0.0011092100000000 ] - [ 0.0004302400000000, -0.0008724900000000, -0.0018763500000000 ] - [ 0.0003215500000000, -0.0011632500000000, -0.0018442000000000 ] - [ 0.0003662000000000, 0.0005070500000000, -0.0021302700000000 ] - [ 0.0001906800000000, 0.0003658100000000, -0.0016053700000000 ] - [ -0.0003559900000000, 0.0005678500000000, -0.0014091900000000 ] - [ -0.0003319000000000, 0.0003369600000000, -0.0011423200000000 ] - [ -0.0024535000000000, 0.0014677000000000, 0.0006355700000000 ] - [ 0.0003544000000000, 0.0003429700000000, 0.0019367500000000 ] - [ -0.0003397200000000, 0.0005316300000000, -0.0005736300000000 ] - [ -0.0003432500000000, 0.0000624300000000, -0.0004146800000000 ] - [ 0.0014332500000000, -0.0057213100000000, -0.0050952900000000 ] - [ 0.0014658500000000, 0.0030230700000000, 0.0003601200000000 ] - [ -0.0072630800000000, -0.0231589600000000, 0.0168819300000000 ] - [ 0.0028248000000000, -0.0059378100000000, 0.0048426300000000 ] - [ -0.0003008100000000, 0.0003580400000000, -0.0012950400000000 ] - [ -0.0000046500000000, -0.0001029900000000, -0.0014487300000000 ] - [ 0.0005730000000000, -0.0008287700000000, -0.0007209200000000 ] - [ 0.0000823100000000, 0.0001061500000000, -0.0005491200000000 ] - [ -0.0000278100000000, 0.0001442800000000, -0.0024749100000000 ] - [ 0.0000001500000000, 0.0011490100000000, -0.0024159200000000 ] - [ -0.0000506600000000, -0.0006440500000000, -0.0012746800000000 ] - [ 0.0001164900000000, -0.0003894000000000, -0.0012113000000000 ] - [ -0.0025708700000000, 0.0031283600000000, -0.0014912600000000 ] - [ -0.0019223600000000, -0.0072026300000000, -0.0027580200000000 ] - [ -0.0006858400000000, -0.0002624000000000, -0.0019203400000000 ] - [ -0.0004301400000000, 0.0004084600000000, -0.0013375300000000 ]- atom: 3 displacement: [ 0.0009337289454915, 0.0000000000000000, -0.0099563120811047 ] forces: - [ 0.0036414200000000, 0.0062424300000000, 0.0089319800000000 ] - [ -0.0004481600000000, -0.0011860200000000, 0.0052948500000000 ] - [ -0.0036184400000000, -0.0330323000000000, 0.1122972800000000 ] - [ -0.0001027300000000, -0.0004060200000000, 0.0054693300000000 ] - [ 0.0075370100000000, 0.0041411600000000, 0.0006696200000000 ] - [ 0.0038341000000000, -0.0005207300000000, 0.0037678400000000 ] - [ 0.0015371400000000, -0.0009885900000000, -0.0008046100000000 ] - [ -0.0004741400000000, 0.0014123200000000, 0.0002343900000000 ] - [ -0.0001801900000000, -0.0001339800000000, -0.0022443300000000 ] - [ -0.0000856200000000, 0.0005463900000000, -0.0020813400000000 ] - [ -0.0011462700000000, 0.0030196700000000, -0.0115889600000000 ] - [ 0.0006173100000000, -0.0011502000000000, -0.0017397100000000 ] - [ 0.0004583700000000, 0.0011333500000000, -0.0020493800000000 ] - [ 0.0003980600000000, -0.0003861600000000, -0.0017917600000000 ] - [ -0.0000157500000000, -0.0000090600000000, -0.0024084300000000 ] - [ -0.0000164400000000, -0.0002438600000000, -0.0022339600000000 ] - [ -0.0000929900000000, 0.0002227200000000, -0.0013866400000000 ] - [ -0.0002147000000000, -0.0002936300000000, -0.0017332800000000 ] - [ -0.0039092000000000, -0.0033376200000000, -0.0028412200000000 ] - [ -0.0005559600000000, 0.0027474900000000, -0.0025344100000000 ] - [ 0.0002271900000000, 0.0000673900000000, -0.0025988600000000 ] - [ 0.0001740200000000, -0.0001227700000000, -0.0022432300000000 ] - [ -0.0001104800000000, 0.0010604500000000, -0.0039932500000000 ] - [ 0.0002726100000000, -0.0005506600000000, -0.0015124000000000 ] - [ 0.0032161600000000, -0.0016920700000000, -0.0028936600000000 ] - [ 0.0013360300000000, 0.0012258300000000, 0.0007725800000000 ] - [ 0.0006918200000000, -0.0018035300000000, 0.0071348100000000 ] - [ -0.0093345500000000, 0.0082864300000000, 0.0024487400000000 ] - [ 0.0000989300000000, -0.0006013000000000, -0.0048982100000000 ] - [ -0.0004580800000000, 0.0003655100000000, -0.0033349800000000 ] - [ 0.0002834800000000, -0.0004941700000000, -0.0035130100000000 ] - [ 0.0002595900000000, 0.0001387500000000, -0.0033277000000000 ] - [ -0.0144590600000000, 0.0140528000000000, -0.0026328000000000 ] - [ -0.0092812000000000, -0.0305218400000000, 0.0072260600000000 ] - [ -0.0014991100000000, -0.0004655100000000, -0.0039504500000000 ] - [ -0.0007285700000000, 0.0003258100000000, -0.0018943100000000 ] - [ 0.0182359700000000, -0.0140758000000000, -0.0174776900000000 ] - [ 0.0009639700000000, 0.0038273300000000, 0.0029371800000000 ] - [ 0.0003711300000000, -0.0001058700000000, -0.0034817800000000 ] - [ 0.0003896600000000, -0.0003793500000000, -0.0032143400000000 ] - [ 0.0001529500000000, 0.0001794400000000, 0.0000315100000000 ] - [ -0.0001055500000000, 0.0008132500000000, -0.0002980600000000 ] - [ -0.0004062200000000, -0.0000819500000000, -0.0006192700000000 ] - [ -0.0004878300000000, 0.0002949400000000, -0.0004243900000000 ] - [ -0.0016846800000000, -0.0000039500000000, -0.0005699300000000 ] - [ -0.0014951200000000, -0.0001933700000000, -0.0005729700000000 ] - [ -0.0004115900000000, -0.0001868800000000, -0.0005550200000000 ] - [ -0.0002354000000000, -0.0001965700000000, -0.0004273100000000 ] - [ 0.0001091700000000, -0.0003268300000000, -0.0000953800000000 ] - [ -0.0001241400000000, -0.0006727500000000, -0.0000664300000000 ] - [ -0.0000010900000000, -0.0004206300000000, -0.0004242300000000 ] - [ 0.0000674000000000, -0.0005586500000000, -0.0003809600000000 ] - [ 0.0018450900000000, -0.0000983500000000, 0.0008696200000000 ] - [ 0.0004654700000000, 0.0002397400000000, 0.0005226600000000 ] - [ -0.0011129400000000, -0.0003905400000000, 0.0016035700000000 ] - [ -0.0009103800000000, -0.0005312600000000, 0.0003447500000000 ] - [ -0.0006547800000000, 0.0008726400000000, -0.0039239000000000 ] - [ 0.0001548900000000, 0.0003075800000000, -0.0012426700000000 ] - [ 0.0320500100000000, 0.0030826900000000, -0.0247378100000000 ] - [ 0.0004708800000000, -0.0008623400000000, -0.0031379400000000 ] - [ -0.0000598700000000, -0.0007655500000000, 0.0024527600000000 ] - [ -0.0000518800000000, -0.0007256900000000, 0.0022622700000000 ] - [ 0.0011860600000000, 0.0031670000000000, -0.0025636800000000 ] - [ 0.0021463800000000, -0.0027995600000000, 0.0010937800000000 ] - [ 0.0002825200000000, 0.0001203300000000, 0.0013637700000000 ] - [ 0.0003090900000000, 0.0001889700000000, 0.0011902400000000 ] - [ -0.0011011200000000, -0.0010506000000000, -0.0043138100000000 ] - [ 0.0026825200000000, -0.0040106300000000, -0.0062057100000000 ] - [ 0.0004552900000000, 0.0000873500000000, 0.0008731600000000 ] - [ 0.0003296000000000, 0.0000687600000000, 0.0000410500000000 ] - [ 0.0003367800000000, 0.0003904500000000, 0.0013165700000000 ] - [ 0.0005011200000000, 0.0008758100000000, 0.0016688500000000 ] - [ 0.0005077700000000, 0.0009942200000000, 0.0038397600000000 ] - [ 0.0001413900000000, 0.0004374300000000, 0.0019743400000000 ] - [ -0.0030095900000000, -0.0043559000000000, -0.0278351600000000 ] - [ 0.0016065900000000, -0.0038231700000000, 0.0000936700000000 ] - [ -0.0012554600000000, -0.0000893000000000, 0.0019828200000000 ] - [ -0.0011627100000000, -0.0002050300000000, 0.0019314800000000 ] - [ 0.0008865800000000, 0.0001658200000000, 0.0023263500000000 ] - [ 0.0003913700000000, 0.0010703600000000, 0.0010030700000000 ] - [ -0.0000389100000000, 0.0003992300000000, 0.0010242500000000 ] - [ -0.0001682300000000, 0.0004597200000000, 0.0008059300000000 ] - [ -0.0021830400000000, -0.0006573800000000, 0.0017096700000000 ] - [ -0.0009388600000000, -0.0001544500000000, 0.0002432700000000 ] - [ -0.0034458700000000, 0.0006658100000000, 0.0012319100000000 ] - [ -0.0007325500000000, -0.0002445100000000, -0.0006107700000000 ] - [ -0.0354992600000000, 0.0136551500000000, -0.0236545500000000 ] - [ -0.0013838700000000, 0.0009843000000000, -0.0025992300000000 ] - [ 0.0001620100000000, 0.0001278600000000, 0.0020336200000000 ] - [ 0.0001855800000000, -0.0002054300000000, 0.0014053600000000 ] - [ -0.0023533600000000, -0.0000078400000000, 0.0049011000000000 ] - [ -0.0001751100000000, -0.0002120900000000, -0.0003126400000000 ] - [ 0.0054638900000000, -0.0005876400000000, -0.0046424300000000 ] - [ 0.0055703400000000, 0.0036242800000000, -0.0061156500000000 ] - [ -0.0009834900000000, -0.0015328600000000, 0.0005967600000000 ] - [ -0.0013619500000000, 0.0009359400000000, 0.0005088900000000 ] - [ -0.0052101800000000, 0.0057738400000000, -0.0007598000000000 ] - [ 0.0001534600000000, -0.0018278600000000, -0.0008282600000000 ] - [ -0.0009511500000000, 0.0001495200000000, 0.0011465600000000 ] - [ -0.0000534800000000, -0.0002964700000000, 0.0000636500000000 ] - [ 0.0005651600000000, -0.0007166100000000, 0.0027504400000000 ] - [ 0.0003520600000000, -0.0004145300000000, 0.0018434200000000 ] - [ -0.0002880200000000, 0.0001933000000000, 0.0015208500000000 ] - [ -0.0001794700000000, 0.0004711100000000, 0.0014799800000000 ] - [ -0.0005085700000000, -0.0011967000000000, 0.0024902700000000 ] - [ -0.0003376000000000, -0.0010452300000000, 0.0019570700000000 ] - [ 0.0000471700000000, -0.0005656900000000, 0.0013608500000000 ] - [ 0.0000273700000000, -0.0003376600000000, 0.0010964000000000 ] - [ 0.0021727500000000, -0.0014676000000000, -0.0006709700000000 ] - [ -0.0006625400000000, -0.0003438100000000, -0.0019748100000000 ] - [ 0.0011457700000000, -0.0000927200000000, 0.0007539300000000 ] - [ 0.0011472500000000, 0.0003786600000000, 0.0005984000000000 ] - [ -0.0012830000000000, 0.0059377500000000, 0.0049331200000000 ] - [ -0.0013583100000000, -0.0027770000000000, -0.0005076300000000 ] - [ 0.0077251500000000, 0.0243791300000000, -0.0168271000000000 ] - [ -0.0024998800000000, 0.0062358900000000, -0.0046161600000000 ] - [ 0.0003993000000000, -0.0005933200000000, 0.0011449400000000 ] - [ 0.0001003800000000, -0.0001268500000000, 0.0012970200000000 ] - [ 0.0002338500000000, 0.0003856000000000, 0.0009036000000000 ] - [ 0.0007219500000000, -0.0005519500000000, 0.0007322700000000 ] - [ 0.0001345100000000, 0.0000860300000000, 0.0017429200000000 ] - [ 0.0001056200000000, -0.0009179200000000, 0.0016848200000000 ] - [ 0.0003790600000000, 0.0003624200000000, 0.0015095000000000 ] - [ 0.0002089900000000, 0.0001102100000000, 0.0014497200000000 ] - [ 0.0026684200000000, -0.0033952900000000, 0.0007287600000000 ] - [ 0.0020225800000000, 0.0069552100000000, 0.0020223200000000 ] - [ 0.0002681700000000, 0.0006734600000000, 0.0019295500000000 ] - [ 0.0000149400000000, 0.0000029300000000, 0.0013475100000000 ]- atom: 5 displacement: [ 0.0099999541101204, 0.0000000000000000, -0.0000302951396548 ] forces: - [ 0.0016909000000000, -0.0003321400000000, 0.0006863400000000 ] - [ 0.0065502400000000, -0.0002497100000000, -0.0004124100000000 ] - [ 0.0026340000000000, 0.0117772800000000, -0.0074018700000000 ] - [ -0.0011993400000000, -0.0030594100000000, -0.0040344700000000 ] - [ -0.0949169400000000, -0.0098954300000000, -0.0262961000000000 ] - [ -0.0014933200000000, -0.0004765800000000, 0.0009290200000000 ] - [ 0.0011026400000000, -0.0008568600000000, 0.0012367900000000 ] - [ 0.0001941200000000, 0.0014246200000000, 0.0009831300000000 ] - [ -0.0000675500000000, -0.0000251200000000, 0.0002091800000000 ] - [ -0.0000386300000000, 0.0000247500000000, 0.0001525400000000 ] - [ 0.0002567300000000, 0.0037209600000000, 0.0036850900000000 ] - [ -0.0004572400000000, -0.0022224000000000, 0.0031989200000000 ] - [ -0.0014806900000000, -0.0001040100000000, 0.0010714100000000 ] - [ -0.0006391900000000, -0.0004342400000000, -0.0005912100000000 ] - [ 0.0001655200000000, -0.0000038700000000, -0.0000509400000000 ] - [ 0.0001060600000000, -0.0000577500000000, 0.0000231200000000 ] - [ 0.0003857200000000, 0.0005778400000000, -0.0005996600000000 ] - [ 0.0009496000000000, -0.0005721600000000, -0.0003550500000000 ] - [ -0.0020059300000000, -0.0004985800000000, -0.0000011800000000 ] - [ -0.0002994500000000, 0.0001944900000000, -0.0002150400000000 ] - [ -0.0001252800000000, 0.0000703000000000, -0.0000246900000000 ] - [ -0.0001482100000000, 0.0000235000000000, 0.0000688900000000 ] - [ -0.0001367300000000, 0.0001241500000000, -0.0003569300000000 ] - [ -0.0001362000000000, -0.0000184800000000, -0.0000684300000000 ] - [ -0.0064012700000000, -0.0029620000000000, -0.0120885700000000 ] - [ -0.0026773100000000, 0.0007905200000000, -0.0034412600000000 ] - [ -0.0093611100000000, 0.0086121300000000, 0.0143116400000000 ] - [ -0.0035599200000000, 0.0010027700000000, 0.0007511300000000 ] - [ -0.0007535600000000, 0.0004392400000000, 0.0011002300000000 ] - [ -0.0002073700000000, 0.0002594800000000, 0.0016132800000000 ] - [ -0.0001617600000000, -0.0001539300000000, -0.0000382500000000 ] - [ -0.0001846400000000, -0.0000443000000000, -0.0000986700000000 ] - [ 0.0354260600000000, -0.0143867800000000, 0.0104323900000000 ] - [ 0.0014582000000000, 0.0031122900000000, -0.0013844200000000 ] - [ -0.0003142300000000, -0.0002858500000000, 0.0001070400000000 ] - [ -0.0004049700000000, 0.0003635800000000, 0.0005637900000000 ] - [ 0.0025018100000000, -0.0015383000000000, -0.0021048900000000 ] - [ 0.0004854200000000, -0.0004374200000000, -0.0007953200000000 ] - [ 0.0002154500000000, -0.0000368400000000, -0.0003599900000000 ] - [ 0.0004559200000000, -0.0003446300000000, -0.0002439500000000 ] - [ 0.0000984200000000, 0.0004112700000000, 0.0002757900000000 ] - [ 0.0000395300000000, 0.0003975700000000, 0.0000647900000000 ] - [ -0.0000530500000000, 0.0001019000000000, -0.0000276200000000 ] - [ -0.0001778500000000, 0.0001618500000000, -0.0000300600000000 ] - [ 0.0036821400000000, -0.0003601600000000, 0.0013901300000000 ] - [ 0.0003989400000000, -0.0001531100000000, 0.0001432000000000 ] - [ 0.0002871900000000, -0.0001544000000000, 0.0000703000000000 ] - [ 0.0003233900000000, -0.0001451500000000, 0.0001071100000000 ] - [ 0.0006777800000000, -0.0006313900000000, -0.0010540500000000 ] - [ 0.0000578400000000, -0.0004672500000000, -0.0000404000000000 ] - [ 0.0000101100000000, -0.0004428100000000, -0.0000369700000000 ] - [ 0.0000142500000000, -0.0004443300000000, -0.0000216500000000 ] - [ 0.0034133100000000, -0.0034590200000000, 0.0003987500000000 ] - [ 0.0008708600000000, 0.0017948800000000, -0.0002250100000000 ] - [ 0.0034622300000000, 0.0024133700000000, 0.0003082300000000 ] - [ 0.0006404600000000, 0.0011237100000000, -0.0000199600000000 ] - [ -0.0037797000000000, 0.0003982600000000, -0.0009784200000000 ] - [ -0.0022891000000000, -0.0012145800000000, -0.0000513800000000 ] - [ -0.0026331500000000, 0.0001059800000000, 0.0022482900000000 ] - [ -0.0008496700000000, 0.0010030800000000, 0.0012478400000000 ] - [ -0.0001306800000000, -0.0001821900000000, 0.0002426900000000 ] - [ -0.0001563200000000, -0.0001248300000000, 0.0002385000000000 ] - [ 0.0031279700000000, 0.0015247600000000, -0.0057389900000000 ] - [ 0.0009587200000000, -0.0005280900000000, 0.0000366300000000 ] - [ 0.0001358300000000, -0.0000579000000000, 0.0001049400000000 ] - [ 0.0000696100000000, -0.0000067700000000, 0.0000948000000000 ] - [ 0.0330030600000000, 0.0186490600000000, 0.0375016600000000 ] - [ 0.0006060600000000, 0.0000893200000000, -0.0006380500000000 ] - [ 0.0005381200000000, 0.0003132600000000, -0.0004969800000000 ] - [ 0.0007585400000000, -0.0000080600000000, -0.0009038800000000 ] - [ -0.0003675300000000, -0.0003021000000000, -0.0001243800000000 ] - [ -0.0000152200000000, -0.0002240000000000, -0.0002580000000000 ] - [ -0.0001179400000000, -0.0007686000000000, -0.0013532000000000 ] - [ -0.0002668900000000, -0.0003160100000000, -0.0016163800000000 ] - [ -0.0008973700000000, -0.0039754000000000, -0.0009736300000000 ] - [ -0.0031237300000000, 0.0074409000000000, -0.0019929700000000 ] - [ -0.0003444100000000, -0.0000879300000000, 0.0002342100000000 ] - [ -0.0003287700000000, -0.0001082700000000, 0.0002531400000000 ] - [ 0.0000947900000000, 0.0002053300000000, 0.0000649100000000 ] - [ 0.0002061400000000, 0.0000675900000000, -0.0002678900000000 ] - [ -0.0004826800000000, 0.0002157800000000, -0.0001183200000000 ] - [ -0.0005007200000000, 0.0001973900000000, -0.0001762900000000 ] - [ 0.0043573000000000, -0.0021257400000000, 0.0012462800000000 ] - [ 0.0013684500000000, -0.0004488600000000, 0.0001349100000000 ] - [ 0.0072687600000000, -0.0135189500000000, 0.0002429900000000 ] - [ 0.0013529900000000, -0.0007079700000000, 0.0013648000000000 ] - [ 0.0033725000000000, -0.0020739200000000, 0.0013401600000000 ] - [ 0.0066042300000000, -0.0027519400000000, -0.0005219200000000 ] - [ 0.0002451200000000, -0.0001694000000000, 0.0000131000000000 ] - [ 0.0002541500000000, -0.0002421600000000, -0.0000743300000000 ] - [ -0.0005050400000000, 0.0002513100000000, 0.0004881100000000 ] - [ -0.0002867700000000, 0.0000977600000000, 0.0000796800000000 ] - [ -0.0129025300000000, 0.0018436000000000, 0.0026896500000000 ] - [ -0.0018627300000000, -0.0004724900000000, 0.0010305800000000 ] - [ 0.0031608500000000, -0.0020075700000000, 0.0043337300000000 ] - [ 0.0014732200000000, 0.0029484800000000, 0.0029207400000000 ] - [ -0.0019006700000000, 0.0007179500000000, 0.0000330600000000 ] - [ -0.0006150200000000, -0.0002727900000000, 0.0002819200000000 ] - [ 0.0001304100000000, 0.0008811200000000, 0.0021137900000000 ] - [ 0.0014707800000000, 0.0006788200000000, -0.0000545300000000 ] - [ -0.0000049900000000, -0.0000361700000000, 0.0002748500000000 ] - [ 0.0000165400000000, -0.0000857600000000, 0.0001033900000000 ] - [ 0.0003902500000000, -0.0003880400000000, -0.0000980600000000 ] - [ 0.0000058400000000, -0.0000857100000000, 0.0001093300000000 ] - [ 0.0000282000000000, -0.0003475400000000, -0.0001057600000000 ] - [ -0.0000191700000000, -0.0002150900000000, -0.0002569700000000 ] - [ -0.0003392200000000, -0.0000986000000000, 0.0002607500000000 ] - [ -0.0003487900000000, 0.0000847400000000, -0.0000344300000000 ] - [ 0.0004291600000000, 0.0005553100000000, -0.0004507400000000 ] - [ -0.0019988900000000, -0.0045403200000000, -0.0045574800000000 ] - [ -0.0030658600000000, -0.0002793600000000, 0.0015585100000000 ] - [ -0.0001113600000000, 0.0004215300000000, 0.0000499900000000 ] - [ -0.0004415400000000, 0.0003649400000000, 0.0014074600000000 ] - [ -0.0000188200000000, 0.0000388700000000, 0.0002174800000000 ] - [ 0.0326012900000000, 0.0069831800000000, -0.0154093000000000 ] - [ 0.0011107500000000, -0.0000112100000000, 0.0004138100000000 ] - [ 0.0002347500000000, -0.0000412100000000, -0.0004544900000000 ] - [ 0.0004170700000000, -0.0002573200000000, -0.0001105900000000 ] - [ 0.0001113000000000, -0.0000910500000000, -0.0001256500000000 ] - [ 0.0003544000000000, -0.0002266000000000, 0.0000953200000000 ] - [ -0.0000159300000000, 0.0001947500000000, -0.0003544700000000 ] - [ 0.0000399900000000, 0.0000683700000000, -0.0003183000000000 ] - [ 0.0002671600000000, -0.0001442100000000, 0.0000483300000000 ] - [ 0.0002340800000000, -0.0001563500000000, 0.0000916500000000 ] - [ -0.0066810500000000, -0.0004335700000000, -0.0069929600000000 ] - [ -0.0004592400000000, -0.0003203000000000, -0.0008051000000000 ] - [ -0.0000310700000000, 0.0004437800000000, -0.0002254400000000 ] - [ -0.0000588800000000, 0.0000016900000000, -0.0000359100000000 ]- atom: 5 displacement: [ -0.0099999541101204, 0.0000000000000000, 0.0000302951396548 ] forces: - [ -0.0018149300000000, 0.0004308700000000, -0.0010032500000000 ] - [ -0.0066854100000000, 0.0003645800000000, 0.0001039700000000 ] - [ -0.0025673300000000, -0.0119437300000000, 0.0072326800000000 ] - [ 0.0012878500000000, 0.0029586300000000, 0.0038434300000000 ] - [ 0.0980927900000000, 0.0098581000000000, 0.0237290100000000 ] - [ 0.0015429900000000, 0.0004857900000000, -0.0007721800000000 ] - [ -0.0009928600000000, 0.0009765700000000, -0.0009106700000000 ] - [ -0.0000804200000000, -0.0013146100000000, -0.0006591500000000 ] - [ 0.0001052900000000, 0.0000166400000000, -0.0000409100000000 ] - [ 0.0000767700000000, -0.0000347300000000, 0.0000166100000000 ] - [ -0.0002851200000000, -0.0037601300000000, -0.0038783000000000 ] - [ 0.0004292100000000, 0.0022234000000000, -0.0033908800000000 ] - [ 0.0014175600000000, 0.0002339100000000, -0.0008283800000000 ] - [ 0.0005642800000000, 0.0005471700000000, 0.0008091300000000 ] - [ -0.0002839700000000, -0.0001159700000000, -0.0002781900000000 ] - [ -0.0002263500000000, -0.0000597100000000, -0.0003486800000000 ] - [ -0.0002868000000000, -0.0006729200000000, 0.0009144800000000 ] - [ -0.0008411200000000, 0.0004627700000000, 0.0006825500000000 ] - [ 0.0019319300000000, 0.0003782300000000, 0.0002123100000000 ] - [ 0.0002222300000000, -0.0003167100000000, 0.0004262100000000 ] - [ 0.0002018000000000, 0.0000527400000000, -0.0001859300000000 ] - [ 0.0002246100000000, 0.0000991400000000, -0.0002781000000000 ] - [ 0.0000964700000000, -0.0001160200000000, 0.0001916300000000 ] - [ 0.0000946700000000, 0.0000289300000000, -0.0000997500000000 ] - [ 0.0065579100000000, 0.0028169500000000, 0.0123831400000000 ] - [ 0.0027962700000000, -0.0010921300000000, 0.0037025600000000 ] - [ 0.0101874600000000, -0.0085711800000000, -0.0145763200000000 ] - [ 0.0043240600000000, -0.0009071700000000, -0.0009119600000000 ] - [ -0.0000144400000000, -0.0005365700000000, -0.0009573700000000 ] - [ -0.0005508000000000, -0.0003640700000000, -0.0014756300000000 ] - [ 0.0000062600000000, -0.0000448300000000, -0.0001871900000000 ] - [ 0.0000321900000000, -0.0001533100000000, -0.0001278800000000 ] - [ -0.0358774100000000, 0.0145864000000000, -0.0105840300000000 ] - [ -0.0016109200000000, -0.0029289100000000, 0.0011560200000000 ] - [ 0.0004639100000000, 0.0004826100000000, 0.0001211600000000 ] - [ 0.0005574400000000, -0.0001671400000000, -0.0003380800000000 ] - [ -0.0032790600000000, 0.0016383300000000, 0.0022636500000000 ] - [ -0.0012619300000000, 0.0005372500000000, 0.0009515300000000 ] - [ 0.0005546300000000, -0.0000605100000000, 0.0002139500000000 ] - [ 0.0003089400000000, 0.0002510800000000, 0.0000989400000000 ] - [ -0.0000805500000000, 0.0004657300000000, -0.0001631100000000 ] - [ -0.0000221100000000, 0.0004807700000000, 0.0000484400000000 ] - [ -0.0004338500000000, 0.0001976000000000, -0.0000725900000000 ] - [ -0.0003066000000000, 0.0001378000000000, -0.0000700100000000 ] - [ -0.0041686100000000, 0.0000602500000000, -0.0014938400000000 ] - [ -0.0008893700000000, -0.0001465800000000, -0.0002467400000000 ] - [ 0.0001931600000000, -0.0001461900000000, 0.0000296200000000 ] - [ 0.0001578000000000, -0.0001546700000000, -0.0000076300000000 ] - [ -0.0006691700000000, -0.0002647900000000, 0.0011567800000000 ] - [ -0.0000444000000000, -0.0004150100000000, 0.0001525000000000 ] - [ -0.0000324900000000, -0.0004355100000000, -0.0000763400000000 ] - [ -0.0000362600000000, -0.0004333000000000, -0.0000922200000000 ] - [ -0.0029499800000000, 0.0037252100000000, -0.0003069400000000 ] - [ -0.0004034900000000, -0.0014874100000000, 0.0003221400000000 ] - [ -0.0034698400000000, -0.0015369500000000, -0.0004157200000000 ] - [ -0.0006634800000000, -0.0002451400000000, -0.0000938100000000 ] - [ 0.0029620800000000, -0.0007982500000000, 0.0007878500000000 ] - [ 0.0014719800000000, 0.0007964900000000, -0.0001464400000000 ] - [ 0.0024873300000000, 0.0005909600000000, -0.0018867400000000 ] - [ 0.0007067500000000, -0.0003001700000000, -0.0008798200000000 ] - [ -0.0000852000000000, -0.0001356300000000, 0.0001928800000000 ] - [ -0.0000495400000000, -0.0001914100000000, 0.0001960500000000 ] - [ -0.0029858500000000, -0.0008329100000000, 0.0053769300000000 ] - [ -0.0008132200000000, 0.0012222900000000, -0.0004015300000000 ] - [ -0.0002313100000000, -0.0001674700000000, 0.0000335100000000 ] - [ -0.0001662600000000, -0.0002179000000000, 0.0000468400000000 ] - [ -0.0328531800000000, -0.0176426400000000, -0.0357615600000000 ] - [ -0.0008136800000000, 0.0002274700000000, 0.0010784200000000 ] - [ 0.0002267400000000, -0.0001058400000000, -0.0001829800000000 ] - [ 0.0000027700000000, 0.0002161000000000, 0.0002282800000000 ] - [ 0.0006831500000000, 0.0003207500000000, 0.0001859200000000 ] - [ 0.0003420500000000, 0.0002207000000000, 0.0002988800000000 ] - [ 0.0003328400000000, 0.0004588100000000, 0.0009241800000000 ] - [ 0.0004682100000000, 0.0000030900000000, 0.0011980900000000 ] - [ 0.0013147300000000, 0.0044122900000000, 0.0009580800000000 ] - [ 0.0035538000000000, -0.0070642100000000, 0.0019789200000000 ] - [ -0.0004190300000000, -0.0001099500000000, 0.0004362900000000 ] - [ -0.0004391400000000, -0.0001009600000000, 0.0004254300000000 ] - [ -0.0004283200000000, 0.0000771800000000, -0.0003024900000000 ] - [ -0.0005398100000000, 0.0002147300000000, 0.0000310000000000 ] - [ -0.0003408800000000, 0.0001989400000000, -0.0000766600000000 ] - [ -0.0003231200000000, 0.0002216700000000, -0.0000053400000000 ] - [ -0.0047178800000000, 0.0018367900000000, -0.0014948100000000 ] - [ -0.0017214700000000, 0.0001857300000000, -0.0003738900000000 ] - [ -0.0075495800000000, 0.0138463900000000, 0.0004480700000000 ] - [ -0.0014528500000000, 0.0009705400000000, -0.0006404000000000 ] - [ -0.0034767000000000, 0.0022975100000000, -0.0011951600000000 ] - [ -0.0067140300000000, 0.0029821900000000, 0.0006745600000000 ] - [ 0.0001727200000000, -0.0002482500000000, -0.0000304500000000 ] - [ 0.0001625200000000, -0.0001777600000000, 0.0000569700000000 ] - [ 0.0007091300000000, 0.0000649300000000, -0.0009286500000000 ] - [ 0.0004872300000000, 0.0002151900000000, -0.0005144700000000 ] - [ 0.0121026600000000, -0.0016316300000000, -0.0020299400000000 ] - [ 0.0010983700000000, 0.0006812900000000, -0.0003598100000000 ] - [ -0.0034595300000000, 0.0014186600000000, -0.0040461700000000 ] - [ -0.0019050500000000, -0.0033792600000000, -0.0029131000000000 ] - [ 0.0022219700000000, -0.0007387800000000, 0.0000196500000000 ] - [ 0.0009376400000000, 0.0002617300000000, -0.0002342200000000 ] - [ 0.0006419100000000, -0.0010743300000000, -0.0028062900000000 ] - [ -0.0006795600000000, -0.0008697300000000, -0.0006346000000000 ] - [ -0.0001046600000000, -0.0001908300000000, 0.0004384100000000 ] - [ -0.0001263000000000, -0.0001452100000000, 0.0006141700000000 ] - [ -0.0002392900000000, -0.0003000300000000, -0.0002684200000000 ] - [ 0.0001293900000000, -0.0006203800000000, -0.0004851400000000 ] - [ -0.0001666000000000, -0.0003566500000000, 0.0004779800000000 ] - [ -0.0001341200000000, -0.0004708600000000, 0.0006183800000000 ] - [ 0.0000074800000000, 0.0001194100000000, -0.0003192000000000 ] - [ 0.0000377400000000, -0.0000776200000000, -0.0000190900000000 ] - [ -0.0007478600000000, -0.0005589500000000, 0.0004018600000000 ] - [ 0.0016752600000000, 0.0045733300000000, 0.0045463400000000 ] - [ 0.0038844000000000, 0.0006942600000000, -0.0013358000000000 ] - [ 0.0009400200000000, -0.0000100000000000, 0.0001502000000000 ] - [ 0.0005291900000000, -0.0001439400000000, -0.0015609400000000 ] - [ 0.0001060400000000, 0.0001829000000000, -0.0003683000000000 ] - [ -0.0351752400000000, -0.0071649200000000, 0.0167385400000000 ] - [ -0.0007905400000000, 0.0002957000000000, -0.0001787200000000 ] - [ -0.0001561600000000, -0.0001806000000000, 0.0003078300000000 ] - [ -0.0003361700000000, 0.0000378600000000, -0.0000368300000000 ] - [ 0.0007113600000000, -0.0003273500000000, 0.0003084100000000 ] - [ 0.0004652600000000, -0.0001948300000000, 0.0000865400000000 ] - [ 0.0001220900000000, 0.0000340800000000, -0.0003591000000000 ] - [ 0.0000654500000000, 0.0001603400000000, -0.0003955900000000 ] - [ 0.0000615700000000, -0.0001371600000000, 0.0001855000000000 ] - [ 0.0000900000000000, -0.0001238700000000, 0.0001444400000000 ] - [ 0.0068159900000000, 0.0002068200000000, 0.0062910200000000 ] - [ 0.0005661600000000, 0.0000886400000000, 0.0000996300000000 ] - [ -0.0003894100000000, -0.0000288800000000, 0.0002447800000000 ] - [ -0.0003618600000000, 0.0004118100000000, 0.0000511700000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010688300000000, 0.0019679300000000, -0.0022317700000000 ] - [ 0.0038202500000000, -0.0003935200000000, 0.0006511400000000 ] - [ 0.0051243700000000, 0.0010564000000000, -0.0037429100000000 ] - [ -0.0026369800000000, 0.0024304600000000, 0.0001959800000000 ] - [ -0.0107517100000000, -0.1120814100000000, -0.0263882600000000 ] - [ -0.0004622700000000, 0.0089177600000000, -0.0004209600000000 ] - [ 0.0006832500000000, -0.0019188300000000, 0.0002200100000000 ] - [ -0.0000342900000000, 0.0018959100000000, 0.0008027900000000 ] - [ 0.0000464400000000, -0.0001714600000000, 0.0004007600000000 ] - [ -0.0000049900000000, 0.0001332200000000, 0.0002885100000000 ] - [ 0.0037120800000000, -0.0003132200000000, 0.0006711500000000 ] - [ -0.0022523900000000, 0.0016525400000000, -0.0006637200000000 ] - [ -0.0017369200000000, -0.0085417000000000, -0.0031050000000000 ] - [ 0.0006114300000000, 0.0042424000000000, 0.0012947800000000 ] - [ -0.0002525500000000, -0.0006263300000000, 0.0001596300000000 ] - [ 0.0000123900000000, 0.0004618000000000, -0.0000098600000000 ] - [ 0.0013901500000000, -0.0014374100000000, -0.0010741400000000 ] - [ -0.0014207200000000, 0.0021043400000000, 0.0022934100000000 ] - [ -0.0013023300000000, -0.0007292600000000, 0.0010266800000000 ] - [ 0.0003810100000000, 0.0005885200000000, -0.0004320400000000 ] - [ 0.0000236300000000, 0.0000701500000000, 0.0004670700000000 ] - [ 0.0000524000000000, 0.0001248500000000, -0.0002160500000000 ] - [ -0.0000025500000000, 0.0000033600000000, -0.0001070900000000 ] - [ -0.0001448400000000, 0.0000024100000000, 0.0002055300000000 ] - [ 0.0048498200000000, 0.0199086500000000, 0.0353506700000000 ] - [ 0.0031530100000000, 0.0213432000000000, -0.0138945000000000 ] - [ 0.0002325600000000, 0.0058448500000000, 0.0170715000000000 ] - [ -0.0018571100000000, 0.0036439100000000, -0.0041979500000000 ] - [ -0.0002719700000000, 0.0005095700000000, 0.0017746400000000 ] - [ -0.0011877800000000, -0.0000613400000000, -0.0007193300000000 ] - [ -0.0001061900000000, -0.0004288500000000, 0.0001449700000000 ] - [ -0.0001640200000000, 0.0002475500000000, 0.0001650400000000 ] - [ -0.0007868100000000, -0.0089208900000000, 0.0025284000000000 ] - [ -0.0001235900000000, 0.0050383400000000, -0.0005486700000000 ] - [ 0.0000979800000000, -0.0005895400000000, 0.0000472000000000 ] - [ -0.0001435600000000, 0.0007043200000000, 0.0009094200000000 ] - [ 0.0004802000000000, -0.0021446000000000, -0.0011825200000000 ] - [ -0.0005473100000000, 0.0015638200000000, 0.0006378100000000 ] - [ 0.0007981800000000, -0.0022711800000000, 0.0003298200000000 ] - [ 0.0001592000000000, 0.0014756600000000, 0.0002294000000000 ] - [ 0.0000951500000000, 0.0004313900000000, 0.0002804400000000 ] - [ -0.0000132300000000, 0.0004567900000000, -0.0000607700000000 ] - [ -0.0000670000000000, 0.0001090300000000, -0.0000008500000000 ] - [ -0.0002371900000000, 0.0001886600000000, -0.0000146400000000 ] - [ -0.0001266000000000, -0.0002315300000000, 0.0000861100000000 ] - [ -0.0003115600000000, -0.0000639900000000, -0.0000729700000000 ] - [ 0.0003007300000000, -0.0001566300000000, 0.0001239600000000 ] - [ 0.0002921000000000, -0.0001429600000000, 0.0001209000000000 ] - [ -0.0016016800000000, -0.0027496200000000, 0.0005977000000000 ] - [ 0.0012258300000000, 0.0013821500000000, 0.0001153200000000 ] - [ -0.0000285800000000, -0.0003930700000000, 0.0000082600000000 ] - [ 0.0000006600000000, -0.0004970300000000, -0.0000354200000000 ] - [ -0.0086571000000000, 0.0019315300000000, -0.0031273600000000 ] - [ 0.0025689200000000, 0.0013793900000000, 0.0005352800000000 ] - [ -0.0009973200000000, -0.0016776100000000, -0.0004043100000000 ] - [ 0.0006304400000000, 0.0019364000000000, 0.0001342600000000 ] - [ 0.0048171900000000, -0.0003926900000000, 0.0025199200000000 ] - [ -0.0022851400000000, -0.0015026100000000, -0.0005156100000000 ] - [ -0.0003274700000000, 0.0013785300000000, 0.0015976100000000 ] - [ 0.0001265700000000, -0.0003931900000000, -0.0004434000000000 ] - [ -0.0002216100000000, 0.0003682500000000, -0.0000292000000000 ] - [ -0.0000707900000000, -0.0004528400000000, 0.0000886400000000 ] - [ 0.0016314300000000, 0.0025631100000000, -0.0048347500000000 ] - [ 0.0003211200000000, -0.0016066800000000, 0.0013300600000000 ] - [ 0.0000929800000000, 0.0003895800000000, -0.0003123200000000 ] - [ -0.0002539300000000, -0.0005815200000000, 0.0001216000000000 ] - [ 0.0196824700000000, 0.0134615300000000, 0.0255894200000000 ] - [ 0.0002887500000000, -0.0022153300000000, 0.0016360700000000 ] - [ 0.0002835000000000, 0.0004182400000000, -0.0001265900000000 ] - [ 0.0005672200000000, -0.0001429100000000, -0.0009135100000000 ] - [ 0.0006135400000000, 0.0004524100000000, 0.0002134300000000 ] - [ -0.0000540600000000, -0.0005634600000000, -0.0004741700000000 ] - [ -0.0001519100000000, -0.0007307700000000, -0.0013436100000000 ] - [ 0.0004163800000000, 0.0000737300000000, 0.0003113900000000 ] - [ -0.0013572300000000, -0.0025452700000000, 0.0004030700000000 ] - [ 0.0029506200000000, 0.0031322900000000, -0.0007600600000000 ] - [ -0.0002763500000000, 0.0000188900000000, 0.0002103500000000 ] - [ -0.0002172100000000, -0.0002448800000000, 0.0000990500000000 ] - [ -0.0001400300000000, 0.0002840700000000, 0.0001029400000000 ] - [ 0.0000411100000000, -0.0000740900000000, -0.0005729800000000 ] - [ -0.0004133300000000, 0.0001978900000000, -0.0002948400000000 ] - [ -0.0004420800000000, 0.0002217500000000, -0.0001322100000000 ] - [ -0.0053639000000000, 0.0022150400000000, -0.0081729800000000 ] - [ 0.0025369800000000, -0.0055951700000000, 0.0027454800000000 ] - [ -0.0172042200000000, 0.0570959100000000, 0.0066707600000000 ] - [ -0.0009063200000000, -0.0076767600000000, 0.0013043900000000 ] - [ 0.0006850300000000, -0.0019387800000000, 0.0026173000000000 ] - [ 0.0018193200000000, -0.0017304900000000, -0.0028350400000000 ] - [ 0.0001695700000000, 0.0000157900000000, -0.0001723300000000 ] - [ 0.0002591300000000, -0.0004043800000000, -0.0001399700000000 ] - [ -0.0000589900000000, 0.0005757200000000, -0.0000941900000000 ] - [ 0.0000315100000000, -0.0001280900000000, -0.0003796500000000 ] - [ -0.0020058900000000, 0.0025405600000000, 0.0006591200000000 ] - [ -0.0005474300000000, -0.0018697900000000, 0.0004787800000000 ] - [ -0.0012148800000000, 0.0106155400000000, -0.0134645100000000 ] - [ -0.0032121000000000, -0.0105265300000000, -0.0049179800000000 ] - [ -0.0008542100000000, 0.0013618100000000, -0.0002829700000000 ] - [ 0.0002831900000000, -0.0010403100000000, 0.0003232500000000 ] - [ 0.0050136300000000, -0.0020464200000000, -0.0100251500000000 ] - [ -0.0035405300000000, -0.0030592400000000, 0.0029475400000000 ] - [ -0.0001150200000000, -0.0000054900000000, 0.0001879100000000 ] - [ -0.0000492000000000, -0.0000561100000000, -0.0000760600000000 ] - [ -0.0005201000000000, 0.0015039300000000, 0.0009848400000000 ] - [ 0.0001369200000000, -0.0018822500000000, -0.0010450300000000 ] - [ -0.0000167900000000, -0.0001141800000000, -0.0004163200000000 ] - [ -0.0000049700000000, -0.0005632100000000, 0.0004224000000000 ] - [ -0.0001985400000000, 0.0011972500000000, -0.0012474400000000 ] - [ -0.0001661900000000, -0.0006754200000000, 0.0004902000000000 ] - [ 0.0003415300000000, 0.0001212700000000, 0.0013445800000000 ] - [ -0.0016039800000000, -0.0029412800000000, -0.0025976600000000 ] - [ 0.0004278200000000, 0.0024447000000000, -0.0002804200000000 ] - [ 0.0001612100000000, -0.0017635800000000, 0.0002458000000000 ] - [ 0.0003634300000000, 0.0009310600000000, 0.0003435500000000 ] - [ -0.0002194400000000, -0.0005570800000000, -0.0001955300000000 ] - [ 0.0063400400000000, 0.0076457300000000, -0.0046042300000000 ] - [ 0.0009973600000000, -0.0023193100000000, 0.0007882900000000 ] - [ 0.0009395900000000, 0.0003285000000000, 0.0007238800000000 ] - [ -0.0001326100000000, -0.0007048400000000, -0.0006025500000000 ] - [ 0.0001314800000000, -0.0001090600000000, -0.0002102900000000 ] - [ 0.0004573600000000, -0.0003636600000000, 0.0001617500000000 ] - [ 0.0000075800000000, 0.0002568700000000, -0.0004957600000000 ] - [ 0.0000698600000000, 0.0000285800000000, -0.0004017600000000 ] - [ 0.0001424700000000, -0.0000558100000000, 0.0000471300000000 ] - [ 0.0001470100000000, -0.0003172200000000, -0.0000864200000000 ] - [ -0.0004990800000000, 0.0023144300000000, -0.0001684500000000 ] - [ 0.0002252800000000, -0.0018600200000000, -0.0008415600000000 ] - [ -0.0002059400000000, 0.0006368100000000, -0.0003530300000000 ] - [ -0.0001108900000000, -0.0002443400000000, -0.0000674500000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009470800000000, -0.0018347400000000, 0.0019085500000000 ] - [ -0.0039553300000000, 0.0005025800000000, -0.0009842900000000 ] - [ -0.0050738100000000, -0.0011290700000000, 0.0035628500000000 ] - [ 0.0026980700000000, -0.0025511500000000, -0.0003702100000000 ] - [ 0.0091283300000000, 0.1161120000000000, 0.0282129600000000 ] - [ 0.0004942300000000, -0.0088689600000000, 0.0006036900000000 ] - [ -0.0005582800000000, 0.0020662700000000, 0.0001062100000000 ] - [ 0.0001625000000000, -0.0017631900000000, -0.0004745000000000 ] - [ -0.0000047300000000, 0.0001579100000000, -0.0002188400000000 ] - [ 0.0000461200000000, -0.0001456800000000, -0.0001060900000000 ] - [ -0.0037661200000000, 0.0003147500000000, -0.0008519200000000 ] - [ 0.0022046400000000, -0.0016743600000000, 0.0004758100000000 ] - [ 0.0016623400000000, 0.0086657900000000, 0.0033126600000000 ] - [ -0.0006910000000000, -0.0041259400000000, -0.0011083200000000 ] - [ 0.0001236900000000, 0.0004885800000000, -0.0004892100000000 ] - [ -0.0001376400000000, -0.0006033800000000, -0.0003200300000000 ] - [ -0.0012587900000000, 0.0012989700000000, 0.0014072600000000 ] - [ 0.0015518000000000, -0.0022344900000000, -0.0019670200000000 ] - [ 0.0012287600000000, 0.0006034400000000, -0.0008446800000000 ] - [ -0.0004595400000000, -0.0007118100000000, 0.0006233700000000 ] - [ 0.0000530400000000, 0.0000514800000000, -0.0006550300000000 ] - [ 0.0000222100000000, -0.0000044000000000, 0.0000289900000000 ] - [ -0.0000403100000000, 0.0000094700000000, -0.0000768100000000 ] - [ 0.0001027100000000, 0.0000084900000000, -0.0003886800000000 ] - [ -0.0046110600000000, -0.0202753100000000, -0.0351701800000000 ] - [ -0.0030112900000000, -0.0215508600000000, 0.0138516300000000 ] - [ 0.0005674600000000, -0.0058063500000000, -0.0171669300000000 ] - [ 0.0026325800000000, -0.0035463100000000, 0.0040884800000000 ] - [ -0.0004886600000000, -0.0006198100000000, -0.0016355000000000 ] - [ 0.0004339000000000, -0.0000473000000000, 0.0008579100000000 ] - [ -0.0000487800000000, 0.0002347700000000, -0.0003718600000000 ] - [ 0.0000029300000000, -0.0004395000000000, -0.0003873500000000 ] - [ 0.0007315200000000, 0.0089974200000000, -0.0027002500000000 ] - [ -0.0000431700000000, -0.0048480200000000, 0.0003160700000000 ] - [ 0.0000588300000000, 0.0007846800000000, 0.0001756300000000 ] - [ 0.0003022300000000, -0.0005159500000000, -0.0006873900000000 ] - [ -0.0012383300000000, 0.0022607800000000, 0.0013199200000000 ] - [ -0.0002175000000000, -0.0014579400000000, -0.0004925600000000 ] - [ -0.0000434100000000, 0.0021661900000000, -0.0004698500000000 ] - [ 0.0006027800000000, -0.0015890400000000, -0.0003738700000000 ] - [ -0.0000809100000000, 0.0004841800000000, -0.0001869500000000 ] - [ 0.0000273200000000, 0.0004604700000000, 0.0001554500000000 ] - [ -0.0003764800000000, 0.0001987900000000, -0.0000998500000000 ] - [ -0.0002049900000000, 0.0001194600000000, -0.0000856300000000 ] - [ -0.0003099400000000, -0.0000781200000000, -0.0001850000000000 ] - [ -0.0001276300000000, -0.0002447400000000, -0.0000273000000000 ] - [ 0.0001392400000000, -0.0001522500000000, -0.0000237500000000 ] - [ 0.0001500600000000, -0.0001667700000000, -0.0000208600000000 ] - [ 0.0016149600000000, 0.0018386200000000, -0.0005008200000000 ] - [ -0.0012128700000000, -0.0023050100000000, -0.0000252600000000 ] - [ 0.0000152800000000, -0.0005271000000000, -0.0001015100000000 ] - [ -0.0000156300000000, -0.0004208400000000, -0.0000589700000000 ] - [ 0.0091383600000000, -0.0016357400000000, 0.0032291700000000 ] - [ -0.0020995400000000, -0.0010694200000000, -0.0004268300000000 ] - [ 0.0009852900000000, 0.0026097800000000, 0.0003110500000000 ] - [ -0.0006434500000000, -0.0010152500000000, -0.0002275000000000 ] - [ -0.0056041900000000, -0.0001245500000000, -0.0027007200000000 ] - [ 0.0015015500000000, 0.0009962700000000, 0.0003335900000000 ] - [ 0.0001577900000000, -0.0007200900000000, -0.0012402600000000 ] - [ -0.0003020600000000, 0.0010555600000000, 0.0008005000000000 ] - [ 0.0000383900000000, -0.0006947200000000, 0.0004714600000000 ] - [ -0.0001209200000000, 0.0001262800000000, 0.0003520200000000 ] - [ -0.0014740800000000, -0.0018889700000000, 0.0044917900000000 ] - [ -0.0001578800000000, 0.0022835400000000, -0.0016985400000000 ] - [ -0.0001568600000000, -0.0006020100000000, 0.0004601200000000 ] - [ 0.0001905400000000, 0.0003699700000000, 0.0000246700000000 ] - [ -0.0196760400000000, -0.0133601000000000, -0.0247619800000000 ] - [ -0.0004804600000000, 0.0025379900000000, -0.0012053700000000 ] - [ 0.0003975500000000, -0.0001895400000000, -0.0004911800000000 ] - [ 0.0001113700000000, 0.0003749100000000, 0.0002989100000000 ] - [ -0.0002972200000000, -0.0004484900000000, -0.0001633900000000 ] - [ 0.0003740000000000, 0.0005775300000000, 0.0005349300000000 ] - [ 0.0003372100000000, 0.0004025000000000, 0.0009021000000000 ] - [ -0.0002286800000000, -0.0003964700000000, -0.0007534300000000 ] - [ 0.0017694500000000, 0.0029145500000000, -0.0004269400000000 ] - [ -0.0025305700000000, -0.0027166600000000, 0.0007209400000000 ] - [ -0.0004137800000000, -0.0002566700000000, 0.0004141700000000 ] - [ -0.0004610700000000, 0.0000144500000000, 0.0005151200000000 ] - [ -0.0001479700000000, 0.0000182900000000, -0.0003108900000000 ] - [ -0.0003283800000000, 0.0003792400000000, 0.0003668100000000 ] - [ -0.0003568000000000, 0.0003135000000000, 0.0001215600000000 ] - [ -0.0003309200000000, 0.0002807500000000, -0.0000492400000000 ] - [ 0.0050927600000000, -0.0025370400000000, 0.0079918300000000 ] - [ -0.0028223300000000, 0.0053186100000000, -0.0029364000000000 ] - [ 0.0183567200000000, -0.0607924900000000, -0.0073556600000000 ] - [ 0.0007724500000000, 0.0078504300000000, -0.0006439000000000 ] - [ -0.0007482200000000, 0.0021537100000000, -0.0024850200000000 ] - [ -0.0018904200000000, 0.0019622900000000, 0.0029760400000000 ] - [ 0.0002336200000000, -0.0003877400000000, 0.0001467300000000 ] - [ 0.0001439700000000, 0.0000325700000000, 0.0001152100000000 ] - [ 0.0002491900000000, -0.0002525300000000, -0.0003448500000000 ] - [ 0.0001631500000000, 0.0004562400000000, -0.0000645000000000 ] - [ 0.0012740300000000, -0.0022861900000000, -0.0000316300000000 ] - [ -0.0001348700000000, 0.0021018700000000, 0.0001399300000000 ] - [ 0.0007510000000000, -0.0107976700000000, 0.0128882700000000 ] - [ 0.0027868500000000, 0.0101160900000000, 0.0049269000000000 ] - [ 0.0011808000000000, -0.0013685100000000, 0.0003365300000000 ] - [ 0.0000423300000000, 0.0010373900000000, -0.0002731200000000 ] - [ -0.0043318200000000, 0.0018214200000000, 0.0094094700000000 ] - [ 0.0042376000000000, 0.0028473300000000, -0.0035517400000000 ] - [ -0.0000113600000000, -0.0001947800000000, 0.0004152400000000 ] - [ -0.0000768300000000, -0.0001411000000000, 0.0006798500000000 ] - [ 0.0006901700000000, -0.0021712100000000, -0.0013430900000000 ] - [ 0.0000363900000000, 0.0012205600000000, 0.0006914800000000 ] - [ -0.0001547700000000, -0.0005503000000000, 0.0007708700000000 ] - [ -0.0001566100000000, -0.0001116500000000, -0.0000610500000000 ] - [ -0.0001179800000000, -0.0011967100000000, 0.0011979100000000 ] - [ -0.0001653400000000, 0.0006778400000000, -0.0005374500000000 ] - [ -0.0006727600000000, -0.0001399800000000, -0.0014085800000000 ] - [ 0.0012939100000000, 0.0029633400000000, 0.0025614200000000 ] - [ 0.0003439900000000, -0.0019310200000000, 0.0004440400000000 ] - [ 0.0006080000000000, 0.0022765300000000, -0.0000706600000000 ] - [ -0.0003030000000000, -0.0007216700000000, -0.0004850100000000 ] - [ 0.0002831600000000, 0.0007684300000000, 0.0000489600000000 ] - [ -0.0059248400000000, -0.0071599600000000, 0.0047636900000000 ] - [ -0.0006968200000000, 0.0026241200000000, -0.0005834300000000 ] - [ -0.0008807900000000, -0.0005384100000000, -0.0008737400000000 ] - [ 0.0001938600000000, 0.0004917000000000, 0.0004537200000000 ] - [ 0.0006416100000000, -0.0003948300000000, 0.0003923500000000 ] - [ 0.0003143100000000, -0.0001417800000000, 0.0000172600000000 ] - [ 0.0001180000000000, -0.0000614300000000, -0.0001050400000000 ] - [ 0.0000553200000000, 0.0001673800000000, -0.0002018000000000 ] - [ 0.0001448500000000, -0.0002470900000000, 0.0001608800000000 ] - [ 0.0001432100000000, 0.0000133000000000, 0.0002942400000000 ] - [ 0.0006063500000000, -0.0025097200000000, -0.0004557800000000 ] - [ -0.0000987900000000, 0.0016634600000000, 0.0002413600000000 ] - [ -0.0001968900000000, -0.0002697800000000, 0.0003812000000000 ] - [ -0.0002922200000000, 0.0006158100000000, 0.0000942500000000 ]- atom: 5 displacement: [ -0.0009337289454915, 0.0000000000000000, 0.0099563120811047 ] forces: - [ 0.0000354500000000, -0.0005411400000000, -0.0023550500000000 ] - [ 0.0059579100000000, 0.0024215400000000, -0.0006095100000000 ] - [ -0.0038074300000000, -0.0062737600000000, -0.0003540800000000 ] - [ -0.0029130900000000, 0.0031432900000000, -0.0037188200000000 ] - [ -0.0169896000000000, -0.0277489800000000, -0.1304563300000000 ] - [ 0.0009905900000000, -0.0004515900000000, -0.0048647200000000 ] - [ 0.0015022000000000, -0.0020341200000000, 0.0030778200000000 ] - [ 0.0005205300000000, 0.0021351300000000, 0.0022977300000000 ] - [ 0.0001556400000000, -0.0003080800000000, 0.0026793100000000 ] - [ 0.0000943400000000, -0.0002017900000000, 0.0022814200000000 ] - [ 0.0037074800000000, 0.0004037700000000, -0.0035970400000000 ] - [ 0.0032945700000000, -0.0003651200000000, -0.0035376300000000 ] - [ 0.0028272400000000, 0.0034497400000000, 0.0117003300000000 ] - [ 0.0001096700000000, -0.0011261400000000, 0.0018570400000000 ] - [ -0.0004295600000000, 0.0001196000000000, 0.0017843800000000 ] - [ -0.0002684700000000, -0.0002444400000000, 0.0016494600000000 ] - [ -0.0020472600000000, -0.0003949700000000, 0.0027182600000000 ] - [ -0.0009783900000000, 0.0006004600000000, 0.0013541000000000 ] - [ -0.0019963100000000, -0.0001128400000000, 0.0038416800000000 ] - [ -0.0002547800000000, 0.0000208500000000, 0.0015498200000000 ] - [ 0.0003600300000000, 0.0003312200000000, 0.0020742800000000 ] - [ 0.0001254300000000, 0.0000561900000000, 0.0022082400000000 ] - [ 0.0000165600000000, -0.0003038500000000, 0.0019206400000000 ] - [ -0.0002730200000000, 0.0000221300000000, 0.0018930200000000 ] - [ -0.0032571300000000, 0.0150992700000000, 0.0074320900000000 ] - [ -0.0068442800000000, -0.0335526700000000, -0.0017238200000000 ] - [ 0.0003256100000000, 0.0158985200000000, 0.0283256600000000 ] - [ 0.0032816300000000, -0.0040018000000000, -0.0030231900000000 ] - [ 0.0005473800000000, -0.0005675100000000, 0.0013102300000000 ] - [ 0.0019537300000000, -0.0022885100000000, 0.0014643700000000 ] - [ -0.0001805200000000, -0.0001014200000000, 0.0030862600000000 ] - [ -0.0002124600000000, -0.0000075200000000, 0.0026339600000000 ] - [ -0.0074739000000000, 0.0078720100000000, -0.0154781200000000 ] - [ 0.0001589300000000, -0.0005827400000000, -0.0039804000000000 ] - [ -0.0003664100000000, -0.0005789800000000, 0.0031789400000000 ] - [ -0.0005505600000000, 0.0008270000000000, 0.0038328000000000 ] - [ -0.0001646400000000, -0.0023915900000000, 0.0014907900000000 ] - [ -0.0003173100000000, 0.0007247400000000, 0.0011968700000000 ] - [ -0.0003804200000000, 0.0019358700000000, 0.0047506400000000 ] - [ 0.0001571400000000, -0.0002776100000000, 0.0033854100000000 ] - [ 0.0001117000000000, 0.0005456500000000, 0.0006753900000000 ] - [ 0.0000502300000000, 0.0003233400000000, 0.0003077100000000 ] - [ 0.0004877200000000, 0.0001613600000000, 0.0005135500000000 ] - [ 0.0002293900000000, 0.0001711600000000, 0.0004172400000000 ] - [ -0.0023082500000000, -0.0002245800000000, -0.0014981600000000 ] - [ -0.0010839700000000, -0.0000642300000000, -0.0006803700000000 ] - [ 0.0006929700000000, -0.0001046500000000, 0.0006152100000000 ] - [ 0.0007488200000000, -0.0001145600000000, 0.0006501800000000 ] - [ -0.0012007900000000, -0.0000178100000000, 0.0008135400000000 ] - [ -0.0011804800000000, -0.0021608800000000, -0.0003032300000000 ] - [ -0.0000362100000000, -0.0004295700000000, 0.0002337800000000 ] - [ -0.0000235600000000, -0.0004565200000000, 0.0003063500000000 ] - [ -0.0030989400000000, -0.0001031500000000, -0.0033066000000000 ] - [ -0.0017462700000000, 0.0010099400000000, -0.0024859700000000 ] - [ -0.0000845200000000, -0.0007737800000000, -0.0010291800000000 ] - [ 0.0002410900000000, 0.0008634000000000, -0.0001109500000000 ] - [ 0.0014485700000000, 0.0004708500000000, 0.0026466500000000 ] - [ -0.0000388400000000, -0.0021805900000000, 0.0024922800000000 ] - [ 0.0005078400000000, 0.0014282600000000, 0.0004651100000000 ] - [ 0.0000389000000000, -0.0004732000000000, 0.0001857200000000 ] - [ 0.0001461000000000, 0.0003493700000000, -0.0026222000000000 ] - [ -0.0000225300000000, 0.0005062700000000, -0.0019688500000000 ] - [ 0.0012641000000000, 0.0014190400000000, -0.0072647100000000 ] - [ -0.0003158000000000, 0.0005454200000000, -0.0002975400000000 ] - [ -0.0005888900000000, -0.0008672300000000, -0.0015234600000000 ] - [ -0.0003531800000000, -0.0001776600000000, -0.0012423100000000 ] - [ 0.0383228900000000, 0.0251485000000000, 0.0502299000000000 ] - [ -0.0003886200000000, 0.0013878100000000, 0.0040461000000000 ] - [ 0.0010520800000000, 0.0005686300000000, -0.0017917300000000 ] - [ 0.0014055800000000, -0.0002134900000000, -0.0025016100000000 ] - [ -0.0000202600000000, -0.0000111100000000, -0.0008528700000000 ] - [ 0.0001299700000000, -0.0001223800000000, -0.0005682800000000 ] - [ -0.0001570000000000, -0.0003020900000000, -0.0002693600000000 ] - [ -0.0001491700000000, 0.0001798200000000, 0.0001006800000000 ] - [ 0.0002054900000000, 0.0011699000000000, 0.0031107300000000 ] - [ 0.0000285000000000, -0.0030448900000000, 0.0052636800000000 ] - [ 0.0002314500000000, -0.0000487000000000, -0.0011324200000000 ] - [ 0.0001878400000000, -0.0000593600000000, -0.0009244700000000 ] - [ -0.0001451100000000, 0.0000886800000000, -0.0011749800000000 ] - [ 0.0000808800000000, -0.0006028100000000, -0.0018157100000000 ] - [ -0.0006242200000000, -0.0000096000000000, -0.0010883500000000 ] - [ -0.0006957500000000, 0.0000094000000000, -0.0011622000000000 ] - [ -0.0018899900000000, -0.0043574500000000, -0.0010244700000000 ] - [ -0.0035558200000000, 0.0077942400000000, -0.0015418300000000 ] - [ -0.0037292100000000, 0.0152075700000000, 0.0066095100000000 ] - [ 0.0020401300000000, 0.0061490300000000, 0.0084052800000000 ] - [ -0.0010035400000000, 0.0031304200000000, -0.0000568700000000 ] - [ 0.0043969500000000, -0.0050761400000000, -0.0028242000000000 ] - [ 0.0001970700000000, -0.0003130700000000, -0.0015576900000000 ] - [ 0.0002304600000000, -0.0003817600000000, -0.0015329400000000 ] - [ -0.0000179900000000, 0.0012291700000000, -0.0020144600000000 ] - [ -0.0002276600000000, 0.0001781600000000, -0.0013050200000000 ] - [ 0.0019655800000000, -0.0008647600000000, 0.0025875900000000 ] - [ -0.0013449600000000, -0.0000355400000000, 0.0019889800000000 ] - [ 0.0028290200000000, -0.0129483200000000, 0.0380039900000000 ] - [ -0.0006846500000000, -0.0030358900000000, 0.0006757600000000 ] - [ -0.0013760500000000, 0.0014988500000000, -0.0011886400000000 ] - [ -0.0003668600000000, -0.0004856600000000, 0.0001382900000000 ] - [ 0.0018913900000000, -0.0017634700000000, -0.0014400200000000 ] - [ 0.0050935000000000, 0.0058101100000000, -0.0021155000000000 ] - [ -0.0002698000000000, 0.0004865700000000, -0.0015994000000000 ] - [ -0.0002219700000000, 0.0003761000000000, -0.0018147200000000 ] - [ 0.0015805300000000, -0.0021386300000000, -0.0038898300000000 ] - [ 0.0004915700000000, -0.0007384300000000, -0.0017639600000000 ] - [ -0.0001379200000000, 0.0000615500000000, -0.0009400400000000 ] - [ -0.0002778500000000, 0.0007775300000000, -0.0012933700000000 ] - [ 0.0003603100000000, -0.0001094900000000, -0.0013303100000000 ] - [ 0.0000416000000000, 0.0007270600000000, -0.0015008600000000 ] - [ -0.0006225700000000, 0.0018518800000000, 0.0006064400000000 ] - [ -0.0035574200000000, -0.0060554100000000, -0.0058540400000000 ] - [ 0.0037023500000000, 0.0003607500000000, -0.0000113600000000 ] - [ 0.0017384800000000, 0.0009057300000000, 0.0007786200000000 ] - [ 0.0007932700000000, 0.0007571100000000, -0.0009546200000000 ] - [ -0.0000102400000000, -0.0002028100000000, -0.0004855400000000 ] - [ -0.0146486100000000, -0.0050225000000000, 0.0129094700000000 ] - [ -0.0002504700000000, -0.0006048600000000, 0.0023542900000000 ] - [ -0.0027334400000000, 0.0010238400000000, -0.0020607500000000 ] - [ -0.0009432500000000, 0.0003464800000000, -0.0009159200000000 ] - [ -0.0002759900000000, -0.0003279700000000, -0.0012881400000000 ] - [ 0.0000895300000000, -0.0003352100000000, -0.0006512000000000 ] - [ -0.0002703600000000, 0.0005988900000000, -0.0023687600000000 ] - [ -0.0001639200000000, 0.0005918200000000, -0.0020872200000000 ] - [ -0.0000151100000000, -0.0004897500000000, -0.0012974700000000 ] - [ 0.0000019100000000, -0.0005040200000000, -0.0011082400000000 ] - [ 0.0014321500000000, 0.0004871600000000, 0.0071990100000000 ] - [ 0.0001453400000000, 0.0008874400000000, 0.0023596000000000 ] - [ -0.0001526800000000, 0.0005271000000000, -0.0020628600000000 ] - [ -0.0000390200000000, -0.0003615600000000, -0.0014717200000000 ]- atom: 5 displacement: [ 0.0009337289454915, 0.0000000000000000, -0.0099563120811047 ] forces: - [ -0.0001450800000000, 0.0006588500000000, 0.0020152400000000 ] - [ -0.0060755500000000, -0.0023122600000000, 0.0002682700000000 ] - [ 0.0038603700000000, 0.0061605600000000, 0.0000985000000000 ] - [ 0.0029753100000000, -0.0032526100000000, 0.0034733000000000 ] - [ 0.0156564200000000, 0.0247420200000000, 0.1311358900000000 ] - [ -0.0009605300000000, 0.0004750200000000, 0.0050161400000000 ] - [ -0.0013812900000000, 0.0021528200000000, -0.0027464300000000 ] - [ -0.0004071400000000, -0.0020140000000000, -0.0019754400000000 ] - [ -0.0001282100000000, 0.0002965600000000, -0.0025219200000000 ] - [ -0.0000671300000000, 0.0001891200000000, -0.0021234300000000 ] - [ -0.0037481100000000, -0.0004209100000000, 0.0034572100000000 ] - [ -0.0033244200000000, 0.0003471500000000, 0.0033891500000000 ] - [ -0.0029195700000000, -0.0033228100000000, -0.0115647300000000 ] - [ -0.0001823400000000, 0.0012377200000000, -0.0016220700000000 ] - [ 0.0003200700000000, -0.0002423400000000, -0.0021123300000000 ] - [ 0.0001597900000000, 0.0001214600000000, -0.0019742200000000 ] - [ 0.0021587300000000, 0.0002873900000000, -0.0023949500000000 ] - [ 0.0010906000000000, -0.0007171900000000, -0.0010242600000000 ] - [ 0.0019130200000000, -0.0000050100000000, -0.0036075600000000 ] - [ 0.0001792700000000, -0.0001396100000000, -0.0013258400000000 ] - [ -0.0002876700000000, -0.0002124300000000, -0.0023007600000000 ] - [ -0.0000537300000000, 0.0000649100000000, -0.0024323000000000 ] - [ -0.0000458400000000, 0.0003170900000000, -0.0020798400000000 ] - [ 0.0002419400000000, -0.0000056200000000, -0.0020537200000000 ] - [ 0.0033971100000000, -0.0154202200000000, -0.0070926500000000 ] - [ 0.0069177900000000, 0.0334151600000000, 0.0018968400000000 ] - [ 0.0006008500000000, -0.0156813000000000, -0.0283461900000000 ] - [ -0.0025015100000000, 0.0040682600000000, 0.0028578400000000 ] - [ -0.0013125500000000, 0.0004848800000000, -0.0011536100000000 ] - [ -0.0027213700000000, 0.0022095300000000, -0.0013099200000000 ] - [ 0.0000834200000000, -0.0001220500000000, -0.0033141400000000 ] - [ 0.0001124200000000, -0.0002099200000000, -0.0028607300000000 ] - [ 0.0074544400000000, -0.0076677600000000, 0.0152874000000000 ] - [ -0.0002638600000000, 0.0008094800000000, 0.0037498100000000 ] - [ 0.0004592900000000, 0.0007982500000000, -0.0029552400000000 ] - [ 0.0006500000000000, -0.0006034200000000, -0.0036086800000000 ] - [ -0.0006033800000000, 0.0024667000000000, -0.0013520100000000 ] - [ -0.0004496100000000, -0.0006395000000000, -0.0010519100000000 ] - [ 0.0011461300000000, -0.0020277700000000, -0.0049075100000000 ] - [ 0.0006064200000000, 0.0001942800000000, -0.0035326000000000 ] - [ -0.0001104000000000, 0.0003856900000000, -0.0005694200000000 ] - [ -0.0000498800000000, 0.0006086700000000, -0.0002026000000000 ] - [ -0.0009125500000000, 0.0001489200000000, -0.0005959300000000 ] - [ -0.0006525100000000, 0.0001399100000000, -0.0004992300000000 ] - [ 0.0018918900000000, -0.0000845700000000, 0.0014258400000000 ] - [ 0.0006599900000000, -0.0002450700000000, 0.0005992600000000 ] - [ -0.0002702800000000, -0.0002055600000000, -0.0005345100000000 ] - [ -0.0003242200000000, -0.0001947300000000, -0.0005692500000000 ] - [ 0.0012078400000000, -0.0009181400000000, -0.0007113700000000 ] - [ 0.0011807800000000, 0.0012311900000000, 0.0004096300000000 ] - [ 0.0000358200000000, -0.0005019900000000, -0.0003392300000000 ] - [ 0.0000226400000000, -0.0004728300000000, -0.0004122900000000 ] - [ 0.0034960900000000, 0.0004281600000000, 0.0033802600000000 ] - [ 0.0021648700000000, -0.0007032500000000, 0.0025663500000000 ] - [ 0.0000801000000000, 0.0017060800000000, 0.0009218500000000 ] - [ -0.0002421300000000, 0.0000685400000000, 0.0000048200000000 ] - [ -0.0022256300000000, -0.0009362000000000, -0.0028315700000000 ] - [ -0.0007500000000000, 0.0017228200000000, -0.0026838600000000 ] - [ -0.0006477700000000, -0.0007480700000000, -0.0001015300000000 ] - [ -0.0001801300000000, 0.0011515400000000, 0.0001734600000000 ] - [ -0.0003225000000000, -0.0006542500000000, 0.0030447800000000 ] - [ -0.0001505500000000, -0.0008078500000000, 0.0023843800000000 ] - [ -0.0011395300000000, -0.0007579000000000, 0.0068987500000000 ] - [ 0.0004499500000000, 0.0001276600000000, -0.0000515900000000 ] - [ 0.0004822700000000, 0.0006221700000000, 0.0016825900000000 ] - [ 0.0002425500000000, -0.0000704900000000, 0.0014008600000000 ] - [ -0.0366267800000000, -0.0236097900000000, -0.0481048500000000 ] - [ 0.0002138500000000, -0.0010820400000000, -0.0036176500000000 ] - [ -0.0002275900000000, -0.0003789600000000, 0.0010740700000000 ] - [ -0.0005866100000000, 0.0003996300000000, 0.0017889100000000 ] - [ 0.0003142900000000, -0.0000082400000000, 0.0008866300000000 ] - [ 0.0001534600000000, 0.0001013200000000, 0.0006015200000000 ] - [ 0.0003325900000000, -0.0000002400000000, -0.0001545300000000 ] - [ 0.0003185100000000, -0.0004853100000000, -0.0005227500000000 ] - [ 0.0002082300000000, -0.0007504000000000, -0.0031229000000000 ] - [ 0.0003777900000000, 0.0034804600000000, -0.0052788500000000 ] - [ -0.0010590300000000, -0.0001371100000000, 0.0018497600000000 ] - [ -0.0010086100000000, -0.0001251000000000, 0.0016361100000000 ] - [ -0.0001910500000000, 0.0001890500000000, 0.0009256000000000 ] - [ -0.0004190800000000, 0.0008776600000000, 0.0015644100000000 ] - [ -0.0001658700000000, 0.0004718800000000, 0.0008961300000000 ] - [ -0.0000957800000000, 0.0004485800000000, 0.0009686300000000 ] - [ 0.0015446200000000, 0.0041143300000000, 0.0007464900000000 ] - [ 0.0032197000000000, -0.0080692700000000, 0.0012979900000000 ] - [ 0.0035812500000000, -0.0149451400000000, -0.0055737500000000 ] - [ -0.0021381700000000, -0.0059271100000000, -0.0076454800000000 ] - [ 0.0008937900000000, -0.0028654600000000, 0.0002203500000000 ] - [ -0.0045078000000000, 0.0053094600000000, 0.0029849700000000 ] - [ 0.0002201400000000, -0.0001100400000000, 0.0015485400000000 ] - [ 0.0001871800000000, -0.0000493400000000, 0.0015219800000000 ] - [ 0.0001861100000000, -0.0009266900000000, 0.0016015300000000 ] - [ 0.0003965600000000, 0.0001190500000000, 0.0008970600000000 ] - [ -0.0028061500000000, 0.0010606100000000, -0.0018722300000000 ] - [ 0.0005257800000000, 0.0002214900000000, -0.0012778300000000 ] - [ -0.0034241300000000, 0.0141743500000000, -0.0403340000000000 ] - [ 0.0002555800000000, 0.0025978600000000, -0.0007013600000000 ] - [ 0.0016671800000000, -0.0014805700000000, 0.0012275000000000 ] - [ 0.0006591200000000, 0.0005053100000000, -0.0001043300000000 ] - [ -0.0010685100000000, 0.0015863600000000, 0.0007010800000000 ] - [ -0.0042614200000000, -0.0060049300000000, 0.0014048300000000 ] - [ 0.0001744800000000, -0.0007171200000000, 0.0023826900000000 ] - [ 0.0001256900000000, -0.0006106200000000, 0.0026002800000000 ] - [ -0.0014464900000000, 0.0014801000000000, 0.0035498100000000 ] - [ -0.0003485400000000, 0.0000658300000000, 0.0014071600000000 ] - [ -0.0000015400000000, -0.0007330500000000, 0.0012920400000000 ] - [ 0.0001389700000000, -0.0014458200000000, 0.0016410300000000 ] - [ -0.0006513000000000, 0.0000920600000000, 0.0012914600000000 ] - [ -0.0003333500000000, -0.0007445100000000, 0.0014644100000000 ] - [ 0.0003250300000000, -0.0018257000000000, -0.0006386000000000 ] - [ 0.0032615100000000, 0.0061074700000000, 0.0058484400000000 ] - [ -0.0029306100000000, 0.0000963900000000, 0.0002012400000000 ] - [ -0.0009480300000000, -0.0004457700000000, -0.0005899800000000 ] - [ -0.0006759400000000, -0.0005041600000000, 0.0007932500000000 ] - [ 0.0001226200000000, 0.0004517400000000, 0.0003255600000000 ] - [ 0.0146529600000000, 0.0051927200000000, -0.0127882700000000 ] - [ 0.0005900700000000, 0.0008788900000000, -0.0021014900000000 ] - [ 0.0028444300000000, -0.0012752600000000, 0.0019034100000000 ] - [ 0.0010480800000000, -0.0005895600000000, 0.0007515300000000 ] - [ 0.0010648300000000, -0.0001286700000000, 0.0014792900000000 ] - [ 0.0006979600000000, -0.0001260500000000, 0.0008437700000000 ] - [ 0.0003669400000000, -0.0003655800000000, 0.0015920900000000 ] - [ 0.0002600700000000, -0.0003595900000000, 0.0013105100000000 ] - [ 0.0003527300000000, 0.0002134400000000, 0.0015427800000000 ] - [ 0.0003334300000000, 0.0002296900000000, 0.0013560100000000 ] - [ -0.0013454600000000, -0.0007221500000000, -0.0080053000000000 ] - [ -0.0000501500000000, -0.0011181500000000, -0.0031321400000000 ] - [ -0.0002622900000000, -0.0001020100000000, 0.0020736500000000 ] - [ -0.0003765000000000, 0.0007828200000000, 0.0014807200000000 ]- atom: 25 displacement: [ 0.0099999541101204, 0.0000000000000000, -0.0000302951396548 ] forces: - [ 0.0011598600000000, -0.0016160600000000, 0.0012664300000000 ] - [ 0.0004701000000000, 0.0003332200000000, -0.0001827600000000 ] - [ -0.0008780700000000, -0.0013238000000000, -0.0033612300000000 ] - [ 0.0001736900000000, 0.0006416500000000, -0.0013851800000000 ] - [ -0.0064526200000000, 0.0045975200000000, -0.0039179200000000 ] - [ -0.0027477500000000, 0.0031342400000000, -0.0071071200000000 ] - [ 0.0001351000000000, 0.0001831800000000, 0.0001427400000000 ] - [ 0.0001565100000000, 0.0000919400000000, -0.0000435500000000 ] - [ -0.0004967600000000, 0.0002346800000000, -0.0005775600000000 ] - [ -0.0004037000000000, -0.0000079100000000, -0.0003803800000000 ] - [ 0.0354594900000000, -0.0007171600000000, -0.0041916100000000 ] - [ 0.0015600800000000, -0.0000354600000000, 0.0002833100000000 ] - [ -0.0127481000000000, -0.0229988800000000, 0.0134018500000000 ] - [ -0.0040596600000000, 0.0075312800000000, 0.0090213500000000 ] - [ 0.0034405600000000, 0.0006393500000000, -0.0010687200000000 ] - [ 0.0011303100000000, -0.0004240300000000, -0.0002472000000000 ] - [ -0.0002542800000000, 0.0034055600000000, -0.0029586300000000 ] - [ 0.0194782200000000, -0.0159463000000000, -0.0209372500000000 ] - [ -0.0001618000000000, -0.0000045400000000, -0.0002235500000000 ] - [ -0.0001876400000000, -0.0001510400000000, -0.0002487500000000 ] - [ -0.0009851800000000, -0.0000652300000000, 0.0013512300000000 ] - [ -0.0009008500000000, -0.0002741500000000, 0.0005875600000000 ] - [ -0.0000679700000000, 0.0000160400000000, -0.0002238300000000 ] - [ -0.0000958600000000, 0.0000735000000000, -0.0002565900000000 ] - [ -0.6060361000000000, -0.0328123800000000, 0.0747804900000000 ] - [ -0.0053150500000000, -0.0012374000000000, 0.0043025500000000 ] - [ -0.0006300800000000, 0.0009918600000000, 0.0004105600000000 ] - [ -0.0002702500000000, -0.0007385400000000, -0.0000702000000000 ] - [ 0.0082530900000000, 0.0015842800000000, 0.0045089600000000 ] - [ 0.0078202500000000, -0.0024734400000000, 0.0009235100000000 ] - [ -0.0001018400000000, -0.0001398000000000, -0.0000951400000000 ] - [ -0.0001045300000000, -0.0001022400000000, -0.0000490000000000 ] - [ 0.0020933700000000, -0.0017494300000000, -0.0063355400000000 ] - [ 0.0057807100000000, 0.0081562400000000, -0.0005242700000000 ] - [ -0.0000598000000000, 0.0000497200000000, -0.0004536200000000 ] - [ -0.0000007600000000, 0.0000931200000000, -0.0004076600000000 ] - [ -0.0000842800000000, -0.0001611800000000, -0.0002666100000000 ] - [ -0.0000688900000000, -0.0001713700000000, -0.0005897300000000 ] - [ -0.0081541200000000, 0.0062487900000000, -0.0074506000000000 ] - [ 0.0009086500000000, -0.0026310300000000, -0.0029241900000000 ] - [ 0.0000154000000000, 0.0004751400000000, 0.0000130400000000 ] - [ 0.0000303900000000, 0.0004223000000000, 0.0000107200000000 ] - [ -0.0001920100000000, 0.0001622900000000, -0.0000749800000000 ] - [ -0.0001873700000000, 0.0001382000000000, -0.0000845600000000 ] - [ 0.0055379200000000, -0.0011721000000000, 0.0020514900000000 ] - [ 0.0039319700000000, 0.0004567700000000, 0.0008375400000000 ] - [ 0.0001150300000000, -0.0002156000000000, -0.0003094500000000 ] - [ 0.0002834500000000, -0.0001663000000000, -0.0000537300000000 ] - [ 0.0164842400000000, 0.0205847000000000, -0.0004882500000000 ] - [ -0.0030436500000000, -0.0025030400000000, -0.0003256000000000 ] - [ 0.0003182700000000, -0.0007209700000000, 0.0000169700000000 ] - [ 0.0001199400000000, -0.0004712800000000, -0.0000240800000000 ] - [ 0.0003071400000000, 0.0027860800000000, 0.0078534800000000 ] - [ -0.0007423600000000, 0.0002491900000000, -0.0000506200000000 ] - [ 0.0015705300000000, 0.0022523800000000, 0.0002670900000000 ] - [ 0.0004901700000000, 0.0007902500000000, 0.0002379300000000 ] - [ -0.0008345000000000, -0.0012785600000000, -0.0037473700000000 ] - [ -0.0003298700000000, -0.0005502300000000, -0.0003686200000000 ] - [ -0.0010187900000000, 0.0005198100000000, 0.0006081800000000 ] - [ -0.0004317200000000, 0.0004057500000000, 0.0006910400000000 ] - [ 0.0011930100000000, -0.0017096800000000, 0.0019995200000000 ] - [ -0.0002321200000000, 0.0000607400000000, 0.0009161300000000 ] - [ 0.0002415800000000, 0.0000861200000000, -0.0001144900000000 ] - [ 0.0001774800000000, 0.0004026700000000, -0.0000735800000000 ] - [ 0.0049320400000000, 0.0000127500000000, -0.0001073500000000 ] - [ 0.0017214500000000, 0.0014859700000000, 0.0008422600000000 ] - [ 0.0003340700000000, -0.0011778100000000, -0.0003865400000000 ] - [ 0.0010396300000000, 0.0013656400000000, 0.0014471400000000 ] - [ 0.0002843200000000, 0.0001140600000000, -0.0001262900000000 ] - [ 0.0002702700000000, 0.0000984100000000, -0.0001102600000000 ] - [ -0.0033909200000000, -0.0010994700000000, 0.0001484500000000 ] - [ -0.0039498400000000, -0.0010359300000000, -0.0003899100000000 ] - [ -0.0088225200000000, -0.0023388700000000, -0.0036665100000000 ] - [ -0.0025054800000000, 0.0000102800000000, -0.0002480800000000 ] - [ -0.0039625000000000, -0.0047632200000000, 0.0053487000000000 ] - [ -0.0000498300000000, 0.0005013200000000, 0.0010556600000000 ] - [ -0.0005610800000000, -0.0001205500000000, 0.0001879700000000 ] - [ -0.0005565900000000, 0.0000149200000000, 0.0001541400000000 ] - [ 0.0000204100000000, 0.0002487300000000, 0.0001057900000000 ] - [ -0.0000190000000000, 0.0001834000000000, 0.0000787400000000 ] - [ -0.0009310700000000, 0.0006670800000000, 0.0005635600000000 ] - [ -0.0006345300000000, 0.0002852900000000, -0.0000958200000000 ] - [ 0.1742870600000000, -0.0637222900000000, 0.0632486100000000 ] - [ 0.0002934500000000, -0.0012670800000000, -0.0003997500000000 ] - [ 0.0587391400000000, 0.0074075800000000, 0.0288002000000000 ] - [ 0.0015860600000000, -0.0012590000000000, 0.0005677000000000 ] - [ 0.0009456000000000, 0.0002664100000000, 0.0001284900000000 ] - [ 0.0007322900000000, -0.0004288200000000, 0.0004234300000000 ] - [ 0.0002688200000000, -0.0001424200000000, -0.0000241600000000 ] - [ 0.0002659600000000, -0.0001749400000000, 0.0000099000000000 ] - [ 0.0000149600000000, 0.0001402500000000, 0.0000642000000000 ] - [ 0.0000016200000000, 0.0001013300000000, 0.0001016400000000 ] - [ -0.0023718200000000, -0.0005955600000000, 0.0018897400000000 ] - [ -0.0036170700000000, -0.0010226700000000, 0.0013205500000000 ] - [ 0.0044906100000000, 0.0049365100000000, 0.0037265500000000 ] - [ 0.0653668400000000, 0.0585419300000000, -0.0054223200000000 ] - [ -0.0000869400000000, -0.0000658800000000, 0.0000862800000000 ] - [ -0.0000499500000000, 0.0000250600000000, 0.0002620600000000 ] - [ 0.2733391400000000, 0.0302059600000000, -0.1567551000000000 ] - [ 0.0047793000000000, 0.0006810000000000, -0.0023993500000000 ] - [ 0.0001027100000000, -0.0001092600000000, 0.0006569800000000 ] - [ -0.0000201100000000, -0.0002693800000000, 0.0006654500000000 ] - [ 0.0066429000000000, -0.0031187000000000, -0.0005131400000000 ] - [ 0.0040056000000000, 0.0053037200000000, 0.0020479200000000 ] - [ -0.0018159800000000, 0.0000182600000000, -0.0013631600000000 ] - [ -0.0015564600000000, 0.0010975900000000, -0.0009616600000000 ] - [ -0.0017912800000000, -0.0054785000000000, 0.0084676500000000 ] - [ -0.0007806200000000, 0.0006313300000000, 0.0003581000000000 ] - [ 0.0004769100000000, 0.0004646100000000, -0.0002413700000000 ] - [ -0.0001563000000000, -0.0002689600000000, -0.0001889200000000 ] - [ -0.0092973700000000, -0.0129325200000000, -0.0001350500000000 ] - [ -0.0026410300000000, 0.0075905000000000, -0.0014592000000000 ] - [ -0.0000090700000000, 0.0000871300000000, 0.0001401000000000 ] - [ 0.0000405300000000, 0.0001712000000000, 0.0002343900000000 ] - [ 0.0023646400000000, 0.0001305300000000, 0.0014064300000000 ] - [ -0.0006543500000000, -0.0017095500000000, 0.0011278400000000 ] - [ -0.0058021900000000, 0.0053490300000000, -0.0037087700000000 ] - [ -0.0037924200000000, -0.0008618600000000, -0.0029967900000000 ] - [ 0.0003490500000000, -0.0002593500000000, 0.0002050300000000 ] - [ 0.0003375400000000, -0.0001868200000000, 0.0002278300000000 ] - [ 0.0000601800000000, 0.0000719900000000, -0.0001901900000000 ] - [ 0.0000528300000000, 0.0001153100000000, -0.0002295900000000 ] - [ 0.0005531300000000, -0.0001969800000000, 0.0000031600000000 ] - [ 0.0004356400000000, -0.0002161800000000, -0.0000232600000000 ] - [ -0.0064412900000000, 0.0046279200000000, 0.0027295500000000 ] - [ -0.0031721400000000, -0.0017471100000000, -0.0015823500000000 ] - [ -0.0001169400000000, 0.0001963000000000, 0.0003302000000000 ] - [ -0.0001361800000000, 0.0001909800000000, 0.0002725600000000 ]- atom: 25 displacement: [ -0.0099999541101204, 0.0000000000000000, 0.0000302951396548 ] forces: - [ -0.0012987600000000, 0.0017307400000000, -0.0015670100000000 ] - [ -0.0006087200000000, -0.0001977600000000, -0.0001454700000000 ] - [ 0.0009791500000000, 0.0012226500000000, 0.0032027800000000 ] - [ -0.0000904800000000, -0.0007622200000000, 0.0012027500000000 ] - [ 0.0065286600000000, -0.0046125600000000, 0.0040484200000000 ] - [ 0.0028182500000000, -0.0030760200000000, 0.0072447600000000 ] - [ -0.0000110700000000, -0.0000413700000000, 0.0001958400000000 ] - [ -0.0000317600000000, 0.0000465900000000, 0.0003799900000000 ] - [ 0.0005413500000000, -0.0002492700000000, 0.0007688000000000 ] - [ 0.0004476200000000, -0.0000031700000000, 0.0005680500000000 ] - [ -0.0358272800000000, 0.0007794200000000, 0.0040014700000000 ] - [ -0.0015838300000000, 0.0000075800000000, -0.0004791100000000 ] - [ 0.0126920400000000, 0.0231404400000000, -0.0132537300000000 ] - [ 0.0040564600000000, -0.0073841100000000, -0.0088158500000000 ] - [ -0.0035865400000000, -0.0007783100000000, 0.0007354200000000 ] - [ -0.0012616200000000, 0.0002760900000000, -0.0000915000000000 ] - [ 0.0003691200000000, -0.0035312800000000, 0.0032695500000000 ] - [ -0.0193341200000000, 0.0158164100000000, 0.0211241700000000 ] - [ 0.0000887800000000, -0.0001191300000000, 0.0004166900000000 ] - [ 0.0001130700000000, 0.0000272000000000, 0.0004417500000000 ] - [ 0.0010770300000000, 0.0001960300000000, -0.0015336500000000 ] - [ 0.0009809800000000, 0.0003953100000000, -0.0007715700000000 ] - [ 0.0000266200000000, -0.0000051000000000, 0.0000487900000000 ] - [ 0.0000534600000000, -0.0000631100000000, 0.0000800900000000 ] - [ 0.6014455900000000, 0.0250990500000000, -0.0562967000000000 ] - [ 0.0054847500000000, 0.0010681800000000, -0.0040637900000000 ] - [ 0.0013873600000000, -0.0008827100000000, -0.0005603300000000 ] - [ 0.0010240000000000, 0.0008439700000000, -0.0000859800000000 ] - [ -0.0089901000000000, -0.0017201000000000, -0.0044468700000000 ] - [ -0.0085523300000000, 0.0023479300000000, -0.0007976700000000 ] - [ -0.0000809200000000, -0.0000347800000000, -0.0001257400000000 ] - [ -0.0000818800000000, -0.0000734200000000, -0.0001741200000000 ] - [ -0.0022590700000000, 0.0019503100000000, 0.0061385500000000 ] - [ -0.0059583500000000, -0.0080943100000000, 0.0003183500000000 ] - [ 0.0002484900000000, 0.0001263000000000, 0.0006914300000000 ] - [ 0.0001899400000000, 0.0000803900000000, 0.0006443800000000 ] - [ -0.0006697100000000, 0.0002903600000000, 0.0004292300000000 ] - [ -0.0006852100000000, 0.0002884400000000, 0.0007454400000000 ] - [ 0.0088994100000000, -0.0063972200000000, 0.0073562400000000 ] - [ -0.0001578200000000, 0.0025183300000000, 0.0027878100000000 ] - [ 0.0000003100000000, 0.0004411800000000, 0.0000829500000000 ] - [ -0.0000142000000000, 0.0004929300000000, 0.0000857900000000 ] - [ -0.0002531900000000, 0.0001460300000000, -0.0000242100000000 ] - [ -0.0002592000000000, 0.0001699000000000, -0.0000153100000000 ] - [ -0.0059640600000000, 0.0008640700000000, -0.0021483300000000 ] - [ -0.0043583400000000, -0.0007665300000000, -0.0009315500000000 ] - [ 0.0003310300000000, -0.0000911300000000, 0.0004133900000000 ] - [ 0.0001630000000000, -0.0001422600000000, 0.0001557500000000 ] - [ -0.0164375100000000, -0.0214558800000000, 0.0004991300000000 ] - [ 0.0030280500000000, 0.0015616300000000, 0.0004187700000000 ] - [ -0.0003354200000000, -0.0001940600000000, -0.0001127400000000 ] - [ -0.0001371900000000, -0.0004450500000000, -0.0000710600000000 ] - [ 0.0001354000000000, -0.0024699200000000, -0.0076772700000000 ] - [ 0.0011761700000000, 0.0000584400000000, 0.0001480400000000 ] - [ -0.0015750200000000, -0.0013102400000000, -0.0003611400000000 ] - [ -0.0005125100000000, 0.0001158300000000, -0.0003324600000000 ] - [ 0.0000762100000000, 0.0007525600000000, 0.0035155300000000 ] - [ -0.0004248000000000, 0.0000396400000000, 0.0001806700000000 ] - [ 0.0008579800000000, 0.0001245700000000, -0.0002797700000000 ] - [ 0.0002692100000000, 0.0002431200000000, -0.0003506200000000 ] - [ -0.0013781800000000, 0.0014003300000000, -0.0015927300000000 ] - [ 0.0000413200000000, -0.0003844900000000, -0.0005017500000000 ] - [ -0.0000849800000000, 0.0005720200000000, -0.0002328900000000 ] - [ -0.0000198200000000, 0.0002604700000000, -0.0002767200000000 ] - [ -0.0050073000000000, -0.0002189300000000, 0.0002218400000000 ] - [ -0.0017873700000000, -0.0016950600000000, -0.0007127100000000 ] - [ -0.0005188000000000, 0.0015187000000000, 0.0008327400000000 ] - [ -0.0012151300000000, -0.0010417600000000, -0.0009947100000000 ] - [ 0.0003694600000000, 0.0001221300000000, -0.0004643100000000 ] - [ 0.0003825300000000, 0.0001372900000000, -0.0004795400000000 ] - [ 0.0037136500000000, 0.0011051500000000, -0.0000893000000000 ] - [ 0.0042774500000000, 0.0010658400000000, 0.0004760100000000 ] - [ 0.0090086100000000, 0.0020353700000000, 0.0033046600000000 ] - [ 0.0026887400000000, -0.0003275100000000, -0.0001666100000000 ] - [ 0.0044006400000000, 0.0052157700000000, -0.0054175900000000 ] - [ 0.0004592800000000, -0.0001140800000000, -0.0010897600000000 ] - [ -0.0000985200000000, -0.0001231500000000, 0.0004058300000000 ] - [ -0.0000931700000000, -0.0002490700000000, 0.0004314400000000 ] - [ -0.0003293600000000, 0.0000481000000000, -0.0003196900000000 ] - [ -0.0002894200000000, 0.0001141800000000, -0.0002918300000000 ] - [ 0.0001703500000000, -0.0001524300000000, -0.0007561600000000 ] - [ -0.0001315000000000, 0.0002239700000000, -0.0001057400000000 ] - [ -0.1824544300000000, 0.0690274600000000, -0.0688315200000000 ] - [ -0.0006206500000000, 0.0009529400000000, 0.0001848800000000 ] - [ -0.0593838400000000, -0.0077814500000000, -0.0296855300000000 ] - [ -0.0017054100000000, 0.0014307600000000, 0.0000141900000000 ] - [ -0.0010174100000000, -0.0000598500000000, 0.0000110500000000 ] - [ -0.0007966400000000, 0.0006359200000000, -0.0002880200000000 ] - [ 0.0001464000000000, -0.0002580700000000, -0.0000152300000000 ] - [ 0.0001503300000000, -0.0002236500000000, -0.0000478900000000 ] - [ 0.0001808800000000, 0.0001855900000000, -0.0004997200000000 ] - [ 0.0001955500000000, 0.0002269200000000, -0.0005349500000000 ] - [ 0.0017009600000000, 0.0008219400000000, -0.0013024500000000 ] - [ 0.0029647100000000, 0.0012879700000000, -0.0007398500000000 ] - [ -0.0049109200000000, -0.0053250400000000, -0.0037003600000000 ] - [ -0.0651601700000000, -0.0590740500000000, 0.0054058900000000 ] - [ 0.0004193000000000, 0.0000581700000000, -0.0000377100000000 ] - [ 0.0003833500000000, -0.0000304700000000, -0.0002105600000000 ] - [ -0.2600356400000000, -0.0280755100000000, 0.1450510700000000 ] - [ -0.0041019600000000, -0.0009105200000000, 0.0018049400000000 ] - [ -0.0002356800000000, -0.0000866900000000, -0.0000952800000000 ] - [ -0.0001122700000000, 0.0000780800000000, -0.0001020100000000 ] - [ -0.0064684900000000, 0.0024917100000000, 0.0001472500000000 ] - [ -0.0038294500000000, -0.0059766000000000, -0.0024125900000000 ] - [ 0.0016436800000000, -0.0006805200000000, 0.0017263700000000 ] - [ 0.0013958400000000, -0.0017545100000000, 0.0013131600000000 ] - [ 0.0015120900000000, 0.0055071900000000, -0.0085803400000000 ] - [ 0.0004524400000000, -0.0006220000000000, -0.0004145000000000 ] - [ -0.0007950100000000, -0.0004712300000000, 0.0001808000000000 ] - [ -0.0001645000000000, 0.0002619600000000, 0.0001328300000000 ] - [ 0.0100640200000000, 0.0134579100000000, 0.0003679000000000 ] - [ 0.0034076000000000, -0.0070317500000000, 0.0016752600000000 ] - [ 0.0000633500000000, 0.0001118900000000, -0.0002794600000000 ] - [ 0.0000162300000000, 0.0000329000000000, -0.0003724500000000 ] - [ -0.0020955600000000, 0.0001662300000000, -0.0011924600000000 ] - [ 0.0009233300000000, 0.0020266000000000, -0.0009183000000000 ] - [ 0.0058350100000000, -0.0055286700000000, 0.0035550900000000 ] - [ 0.0038351600000000, 0.0006648500000000, 0.0028709400000000 ] - [ 0.0004166800000000, -0.0002531200000000, -0.0000107200000000 ] - [ 0.0004295300000000, -0.0003236400000000, -0.0000342600000000 ] - [ 0.0000696600000000, 0.0001250200000000, -0.0003871900000000 ] - [ 0.0000775900000000, 0.0000809400000000, -0.0003456000000000 ] - [ -0.0002503500000000, -0.0000993900000000, 0.0002056800000000 ] - [ -0.0001292700000000, -0.0000833700000000, 0.0002321500000000 ] - [ 0.0065637300000000, -0.0048481800000000, -0.0033166000000000 ] - [ 0.0032966700000000, 0.0015807300000000, 0.0010097200000000 ] - [ -0.0003011500000000, 0.0002013400000000, -0.0003011300000000 ] - [ -0.0002822400000000, 0.0002098100000000, -0.0002401900000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004026300000000, -0.0031563200000000, 0.0003671600000000 ] - [ 0.0000366900000000, 0.0020983500000000, 0.0002510900000000 ] - [ -0.0015102200000000, -0.0033669200000000, 0.0013296600000000 ] - [ 0.0006366900000000, 0.0038395000000000, -0.0013844300000000 ] - [ -0.0028669200000000, 0.0201322200000000, 0.0152378900000000 ] - [ 0.0008132500000000, 0.0213734200000000, -0.0333657100000000 ] - [ -0.0000255900000000, -0.0003786600000000, 0.0003596300000000 ] - [ 0.0000271900000000, 0.0005907900000000, -0.0001337800000000 ] - [ -0.0002643800000000, 0.0006117000000000, -0.0006579200000000 ] - [ 0.0003868300000000, -0.0006811600000000, 0.0008125700000000 ] - [ -0.0144336500000000, -0.0089693700000000, 0.0063472900000000 ] - [ 0.0030093300000000, 0.0049479300000000, -0.0005002600000000 ] - [ -0.0037130200000000, 0.0212348600000000, -0.0143112900000000 ] - [ 0.0104218900000000, 0.0211131300000000, 0.0317262500000000 ] - [ 0.0007939300000000, -0.0003108300000000, -0.0009433400000000 ] - [ -0.0008780700000000, 0.0003653200000000, 0.0002643500000000 ] - [ 0.0004061400000000, 0.0044694600000000, -0.0000989000000000 ] - [ -0.0031793000000000, -0.0089940500000000, 0.0010459300000000 ] - [ -0.0000518400000000, 0.0002252200000000, 0.0003440500000000 ] - [ 0.0001341400000000, -0.0004147600000000, -0.0002732300000000 ] - [ -0.0008096500000000, -0.0014852800000000, -0.0007514100000000 ] - [ 0.0008929700000000, 0.0012547000000000, 0.0001959000000000 ] - [ 0.0000509900000000, -0.0003342600000000, -0.0000933900000000 ] - [ -0.0000615000000000, 0.0003439400000000, -0.0001982400000000 ] - [ -0.0242937500000000, -0.5379214400000000, -0.0243604700000000 ] - [ -0.0010831500000000, 0.0239348600000000, 0.0027409800000000 ] - [ -0.0009318400000000, 0.0030010900000000, 0.0024910700000000 ] - [ 0.0033240100000000, -0.0063522900000000, -0.0042714100000000 ] - [ 0.0060330700000000, -0.0099881700000000, -0.0036047200000000 ] - [ -0.0031198200000000, 0.0045665200000000, 0.0003069500000000 ] - [ -0.0000359200000000, -0.0000635500000000, -0.0005662200000000 ] - [ -0.0000021400000000, -0.0000586200000000, 0.0002376000000000 ] - [ -0.0018970900000000, 0.0071309400000000, 0.0025026300000000 ] - [ 0.0080657700000000, -0.0068543400000000, -0.0033038900000000 ] - [ 0.0000914800000000, -0.0002853600000000, -0.0000738200000000 ] - [ 0.0000466400000000, 0.0005553800000000, 0.0001505600000000 ] - [ -0.0004634100000000, -0.0001216000000000, 0.0008785700000000 ] - [ -0.0002076900000000, 0.0004176200000000, -0.0006127300000000 ] - [ 0.0018866700000000, -0.0020770200000000, -0.0047223400000000 ] - [ -0.0010510100000000, 0.0063064200000000, 0.0054462000000000 ] - [ -0.0000407500000000, 0.0006092300000000, 0.0000542200000000 ] - [ 0.0000250300000000, 0.0003430400000000, 0.0000071900000000 ] - [ -0.0002132900000000, 0.0001862800000000, -0.0000536800000000 ] - [ -0.0002240800000000, 0.0001295000000000, -0.0000622000000000 ] - [ -0.0002325800000000, 0.0001597700000000, 0.0000162400000000 ] - [ -0.0005086700000000, -0.0006689900000000, -0.0007704200000000 ] - [ 0.0001502700000000, -0.0002954000000000, -0.0000699300000000 ] - [ 0.0001836600000000, -0.0000080400000000, 0.0001237600000000 ] - [ 0.0036548500000000, -0.0014383900000000, -0.0032723800000000 ] - [ -0.0015011200000000, 0.0020763400000000, 0.0005731100000000 ] - [ 0.0000882100000000, -0.0007541900000000, 0.0000218600000000 ] - [ -0.0000916300000000, -0.0002287300000000, -0.0001404600000000 ] - [ 0.0122524600000000, -0.0023762000000000, 0.0050298700000000 ] - [ -0.0014955100000000, 0.0009372200000000, -0.0008451500000000 ] - [ 0.0003013000000000, 0.0014276000000000, 0.0003973300000000 ] - [ 0.0000275200000000, 0.0008432600000000, -0.0002914900000000 ] - [ -0.0077192800000000, 0.0017828000000000, -0.0039753800000000 ] - [ 0.0005600500000000, -0.0015995200000000, 0.0008900900000000 ] - [ -0.0002208100000000, 0.0007233100000000, -0.0003601500000000 ] - [ -0.0005235900000000, -0.0003233300000000, 0.0005638200000000 ] - [ -0.0004171200000000, -0.0006433600000000, 0.0022605800000000 ] - [ 0.0006451200000000, -0.0003209400000000, -0.0024667300000000 ] - [ 0.0003622200000000, 0.0000263400000000, -0.0007621400000000 ] - [ -0.0006115200000000, 0.0006645100000000, 0.0012029700000000 ] - [ 0.0000637600000000, 0.0011450400000000, 0.0021924800000000 ] - [ -0.0007501200000000, -0.0019994000000000, -0.0012719400000000 ] - [ -0.0001961100000000, -0.0024760600000000, -0.0023582000000000 ] - [ 0.0010867300000000, 0.0051989900000000, 0.0083340700000000 ] - [ 0.0002852000000000, 0.0002632200000000, -0.0002266400000000 ] - [ 0.0004543500000000, -0.0000565300000000, -0.0003876400000000 ] - [ 0.0001181500000000, -0.0011535800000000, 0.0002134100000000 ] - [ -0.0003961400000000, 0.0020056900000000, 0.0004063100000000 ] - [ 0.0021846500000000, 0.0045430800000000, 0.0038206700000000 ] - [ 0.0000845300000000, -0.0023390700000000, -0.0014666300000000 ] - [ -0.0012727100000000, 0.0077105900000000, -0.0007672800000000 ] - [ -0.0005262500000000, -0.0046258700000000, 0.0001155600000000 ] - [ -0.0004474600000000, -0.0002152600000000, 0.0006142200000000 ] - [ -0.0004499200000000, -0.0000407600000000, 0.0001796100000000 ] - [ -0.0001629300000000, 0.0004216600000000, 0.0000149400000000 ] - [ -0.0001798500000000, -0.0000896200000000, -0.0001813200000000 ] - [ -0.0004903000000000, 0.0006550300000000, 0.0001904400000000 ] - [ -0.0002024200000000, -0.0000750900000000, -0.0001841400000000 ] - [ -0.0678531700000000, 0.0909734200000000, -0.0433411900000000 ] - [ 0.0000107900000000, -0.0129169600000000, 0.0017745800000000 ] - [ 0.0102717200000000, 0.0926590300000000, 0.0965867200000000 ] - [ 0.0011909300000000, -0.0120606600000000, -0.0016568400000000 ] - [ -0.0011532900000000, 0.0025308800000000, -0.0005592900000000 ] - [ 0.0009350700000000, -0.0014230600000000, 0.0001739000000000 ] - [ 0.0002572800000000, -0.0001443400000000, 0.0002264500000000 ] - [ 0.0001354600000000, -0.0002833900000000, -0.0001230000000000 ] - [ 0.0001695400000000, 0.0003905600000000, -0.0005311600000000 ] - [ -0.0000018900000000, -0.0001125900000000, 0.0001528200000000 ] - [ 0.0006395400000000, -0.0017371600000000, -0.0011384000000000 ] - [ -0.0026547000000000, 0.0021051400000000, 0.0019086000000000 ] - [ -0.0019430100000000, -0.0157911600000000, 0.0001006000000000 ] - [ 0.0513521000000000, 0.2412476000000000, -0.0177765400000000 ] - [ 0.0001926500000000, 0.0002015700000000, -0.0005357900000000 ] - [ 0.0001789500000000, -0.0002389500000000, 0.0005238800000000 ] - [ 0.0289170000000000, 0.0607588200000000, -0.0150949500000000 ] - [ 0.0012802200000000, -0.0056493700000000, -0.0015697700000000 ] - [ -0.0000287700000000, 0.0002695200000000, 0.0004240700000000 ] - [ -0.0000663500000000, -0.0005294200000000, 0.0003755600000000 ] - [ -0.0026517700000000, -0.0008080000000000, 0.0031180000000000 ] - [ 0.0052740900000000, -0.0029472200000000, -0.0078913600000000 ] - [ -0.0007448600000000, 0.0023978400000000, -0.0000014000000000 ] - [ 0.0001808200000000, -0.0021745400000000, 0.0008939200000000 ] - [ -0.0010700100000000, -0.0003151000000000, 0.0017949200000000 ] - [ 0.0013299700000000, -0.0021340100000000, -0.0005663600000000 ] - [ 0.0007525300000000, 0.0024417400000000, 0.0009162000000000 ] - [ -0.0005280100000000, -0.0012368100000000, -0.0006395300000000 ] - [ -0.0000097300000000, 0.0002747200000000, 0.0018940100000000 ] - [ 0.0037176100000000, 0.0030873200000000, -0.0026191300000000 ] - [ 0.0000264900000000, 0.0000390500000000, -0.0004087300000000 ] - [ -0.0001046500000000, 0.0000949200000000, 0.0002837200000000 ] - [ 0.0039182200000000, -0.0016638900000000, -0.0018631100000000 ] - [ -0.0069266600000000, -0.0016436300000000, 0.0043886600000000 ] - [ 0.0030641700000000, -0.0034605300000000, 0.0014127000000000 ] - [ -0.0080658700000000, 0.0049105800000000, -0.0046721800000000 ] - [ 0.0004088500000000, -0.0003670300000000, 0.0000202000000000 ] - [ 0.0003968900000000, -0.0001704100000000, 0.0001660800000000 ] - [ 0.0000510500000000, -0.0000905200000000, -0.0001158900000000 ] - [ 0.0000515900000000, 0.0002638400000000, -0.0004675800000000 ] - [ 0.0002307200000000, -0.0004901400000000, 0.0002659600000000 ] - [ 0.0000360500000000, 0.0002110200000000, -0.0000358100000000 ] - [ 0.0023815700000000, -0.0036159100000000, -0.0030725800000000 ] - [ -0.0025657800000000, -0.0000259300000000, 0.0010286800000000 ] - [ -0.0002208100000000, 0.0003964900000000, 0.0001484800000000 ] - [ -0.0001915000000000, -0.0000468800000000, -0.0000158300000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002779400000000, 0.0032878100000000, -0.0007129400000000 ] - [ -0.0001560000000000, -0.0019867100000000, -0.0005815600000000 ] - [ 0.0016054100000000, 0.0032395100000000, -0.0015477600000000 ] - [ -0.0005624600000000, -0.0039499900000000, 0.0011866100000000 ] - [ 0.0028531900000000, -0.0200363200000000, -0.0148796800000000 ] - [ -0.0008379200000000, -0.0215074500000000, 0.0337388000000000 ] - [ 0.0001500700000000, 0.0005019200000000, -0.0000314300000000 ] - [ 0.0000970400000000, -0.0004593900000000, 0.0004654700000000 ] - [ 0.0003038900000000, -0.0006206000000000, 0.0008316100000000 ] - [ -0.0003507100000000, 0.0006775200000000, -0.0006418000000000 ] - [ 0.0144643900000000, 0.0089298500000000, -0.0065485000000000 ] - [ -0.0030605400000000, -0.0049509000000000, 0.0003334400000000 ] - [ 0.0035663500000000, -0.0210598800000000, 0.0143289500000000 ] - [ -0.0106276900000000, -0.0211464700000000, -0.0317183200000000 ] - [ -0.0009183500000000, 0.0001772500000000, 0.0006125800000000 ] - [ 0.0007599900000000, -0.0004878100000000, -0.0005972800000000 ] - [ -0.0002722000000000, -0.0045879600000000, 0.0004135900000000 ] - [ 0.0033189500000000, 0.0089347600000000, -0.0007202900000000 ] - [ -0.0000285100000000, -0.0003484200000000, -0.0001472600000000 ] - [ -0.0002122800000000, 0.0002959600000000, 0.0004672500000000 ] - [ 0.0008900500000000, 0.0016107800000000, 0.0005613400000000 ] - [ -0.0008189300000000, -0.0011342900000000, -0.0004002700000000 ] - [ -0.0000910100000000, 0.0003429700000000, -0.0000850100000000 ] - [ 0.0000200500000000, -0.0003341200000000, 0.0000189800000000 ] - [ 0.0339734300000000, 0.5564304400000000, 0.0211911500000000 ] - [ 0.0012490800000000, -0.0240218600000000, -0.0025324300000000 ] - [ 0.0016830800000000, -0.0028996000000000, -0.0026175700000000 ] - [ -0.0025883300000000, 0.0064994900000000, 0.0041286800000000 ] - [ -0.0068051200000000, 0.0099358800000000, 0.0037973600000000 ] - [ 0.0023583000000000, -0.0046669400000000, -0.0001629300000000 ] - [ -0.0001084700000000, -0.0001400900000000, 0.0003308100000000 ] - [ -0.0001463600000000, -0.0001377200000000, -0.0004690500000000 ] - [ 0.0017403400000000, -0.0069460500000000, -0.0027379800000000 ] - [ -0.0082064100000000, 0.0070969400000000, 0.0030659600000000 ] - [ 0.0000565600000000, 0.0004814700000000, 0.0002957000000000 ] - [ 0.0001002100000000, -0.0003581600000000, 0.0000734300000000 ] - [ -0.0002941200000000, 0.0002162500000000, -0.0007400500000000 ] - [ -0.0005548200000000, -0.0003082500000000, 0.0007632000000000 ] - [ -0.0011391300000000, 0.0019201100000000, 0.0045649300000000 ] - [ 0.0018171700000000, -0.0064386500000000, -0.0056257100000000 ] - [ 0.0000548300000000, 0.0002979500000000, 0.0000460300000000 ] - [ -0.0000119300000000, 0.0005658400000000, 0.0000920600000000 ] - [ -0.0002381300000000, 0.0001191200000000, -0.0000453200000000 ] - [ -0.0002260300000000, 0.0001762200000000, -0.0000364900000000 ] - [ -0.0002020600000000, -0.0004704900000000, -0.0001032100000000 ] - [ 0.0000837300000000, 0.0003731100000000, 0.0006902600000000 ] - [ 0.0002979300000000, -0.0000095900000000, 0.0001681000000000 ] - [ 0.0002664900000000, -0.0002977800000000, -0.0000269200000000 ] - [ -0.0035876200000000, 0.0005165800000000, 0.0033759100000000 ] - [ 0.0015176800000000, -0.0029953600000000, -0.0004787300000000 ] - [ -0.0000999100000000, -0.0001548400000000, -0.0001201300000000 ] - [ 0.0000788300000000, -0.0006797000000000, 0.0000398000000000 ] - [ -0.0118821800000000, 0.0026734000000000, -0.0049678600000000 ] - [ 0.0019523800000000, -0.0006327400000000, 0.0009489300000000 ] - [ -0.0003172000000000, -0.0005310900000000, -0.0004957900000000 ] - [ -0.0000345400000000, 0.0000738800000000, 0.0001947200000000 ] - [ 0.0069915400000000, -0.0022697600000000, 0.0038547300000000 ] - [ -0.0013593300000000, 0.0011091200000000, -0.0010393700000000 ] - [ 0.0000435200000000, -0.0000540400000000, 0.0007209200000000 ] - [ 0.0003378900000000, 0.0009786900000000, -0.0002144800000000 ] - [ 0.0002327300000000, 0.0003392700000000, -0.0018258000000000 ] - [ -0.0008340300000000, 0.0000095400000000, 0.0029053000000000 ] - [ -0.0001876700000000, 0.0006498700000000, 0.0004008000000000 ] - [ 0.0007886400000000, -0.0000073600000000, -0.0015540600000000 ] - [ -0.0001372500000000, -0.0013554500000000, -0.0020537600000000 ] - [ 0.0006660700000000, 0.0017765800000000, 0.0014298300000000 ] - [ 0.0000143300000000, 0.0027870000000000, 0.0027663600000000 ] - [ -0.0012527400000000, -0.0049230600000000, -0.0079219600000000 ] - [ 0.0004783200000000, -0.0000383600000000, -0.0004575500000000 ] - [ 0.0003122400000000, 0.0002836300000000, -0.0003006000000000 ] - [ 0.0001758200000000, 0.0011508600000000, -0.0001699200000000 ] - [ 0.0006763700000000, -0.0020294500000000, -0.0003680000000000 ] - [ -0.0020269200000000, -0.0048832100000000, -0.0042880700000000 ] - [ 0.0000966300000000, 0.0020294000000000, 0.0010361700000000 ] - [ 0.0016661300000000, -0.0073230800000000, 0.0007607400000000 ] - [ 0.0009443400000000, 0.0050447600000000, -0.0001503700000000 ] - [ -0.0003310900000000, -0.0000136000000000, 0.0000848100000000 ] - [ -0.0003175700000000, -0.0001874000000000, 0.0005105400000000 ] - [ -0.0001653100000000, -0.0001319300000000, -0.0002445400000000 ] - [ -0.0001443300000000, 0.0003798900000000, -0.0000494900000000 ] - [ -0.0002995600000000, -0.0001684200000000, -0.0003361300000000 ] - [ -0.0005909800000000, 0.0005535500000000, 0.0000350700000000 ] - [ 0.0648845000000000, -0.0908964700000000, 0.0418077800000000 ] - [ -0.0003270300000000, 0.0125710300000000, -0.0020080500000000 ] - [ -0.0100881800000000, -0.0929468500000000, -0.0937765700000000 ] - [ -0.0012998100000000, 0.0122591100000000, 0.0023445400000000 ] - [ 0.0010764800000000, -0.0023176400000000, 0.0007296600000000 ] - [ -0.0010111400000000, 0.0016481400000000, -0.0000214200000000 ] - [ 0.0001532400000000, -0.0002643600000000, -0.0002546200000000 ] - [ 0.0002758100000000, -0.0001292800000000, 0.0001004900000000 ] - [ 0.0000157900000000, -0.0000790300000000, 0.0001042300000000 ] - [ 0.0001851100000000, 0.0004229000000000, -0.0005821300000000 ] - [ -0.0014147000000000, 0.0019806000000000, 0.0018394900000000 ] - [ 0.0018776500000000, -0.0018910300000000, -0.0012158600000000 ] - [ 0.0015224500000000, 0.0153129900000000, -0.0000777100000000 ] - [ -0.0572524800000000, -0.2592435100000000, 0.0194227100000000 ] - [ 0.0001050500000000, -0.0001861200000000, 0.0005741700000000 ] - [ 0.0001174600000000, 0.0002431600000000, -0.0004813900000000 ] - [ -0.0295861500000000, -0.0617601800000000, 0.0154218200000000 ] - [ -0.0005134000000000, 0.0054141600000000, 0.0008835600000000 ] - [ -0.0000838700000000, -0.0005046100000000, 0.0002730100000000 ] - [ -0.0000451200000000, 0.0002976200000000, 0.0003209900000000 ] - [ 0.0028241300000000, 0.0001825300000000, -0.0034486100000000 ] - [ -0.0051100100000000, 0.0022933300000000, 0.0075684900000000 ] - [ 0.0005648800000000, -0.0030599600000000, 0.0003389800000000 ] - [ -0.0003528800000000, 0.0015107400000000, -0.0005429900000000 ] - [ 0.0007882300000000, 0.0003352800000000, -0.0018656000000000 ] - [ -0.0016293100000000, 0.0021277500000000, 0.0005306500000000 ] - [ -0.0010482400000000, -0.0024499000000000, -0.0009618800000000 ] - [ 0.0002357100000000, 0.0012325500000000, 0.0005837100000000 ] - [ 0.0007834700000000, 0.0002272600000000, -0.0017486800000000 ] - [ -0.0029716800000000, -0.0026244900000000, 0.0027795700000000 ] - [ 0.0000586700000000, 0.0001901300000000, 0.0002577100000000 ] - [ 0.0001879600000000, 0.0001282200000000, -0.0004368000000000 ] - [ -0.0035895300000000, 0.0019721700000000, 0.0020930200000000 ] - [ 0.0072576300000000, 0.0019132100000000, -0.0041407100000000 ] - [ -0.0029665000000000, 0.0032410100000000, -0.0015602200000000 ] - [ 0.0081682600000000, -0.0051684500000000, 0.0045088400000000 ] - [ 0.0003852800000000, -0.0001060100000000, 0.0001357600000000 ] - [ 0.0003957800000000, -0.0003088400000000, -0.0000138300000000 ] - [ 0.0000607100000000, 0.0003179700000000, -0.0005697300000000 ] - [ 0.0000608600000000, -0.0000352300000000, -0.0002217800000000 ] - [ 0.0000983800000000, 0.0002061700000000, -0.0000338000000000 ] - [ 0.0002967000000000, -0.0005010900000000, 0.0002665900000000 ] - [ -0.0022832600000000, 0.0034131100000000, 0.0023881200000000 ] - [ 0.0026625400000000, -0.0002216400000000, -0.0017281600000000 ] - [ -0.0001881300000000, 0.0000137700000000, -0.0001161600000000 ] - [ -0.0002175100000000, 0.0004570000000000, 0.0000482900000000 ]- atom: 25 displacement: [ -0.0009337289454915, 0.0000000000000000, 0.0099563120811047 ] forces: - [ 0.0027350200000000, -0.0031544700000000, 0.0032384800000000 ] - [ 0.0015777200000000, 0.0013892800000000, 0.0003362400000000 ] - [ -0.0051854800000000, -0.0011561000000000, 0.0027036500000000 ] - [ -0.0009011400000000, 0.0002528400000000, -0.0007271600000000 ] - [ -0.0115223500000000, 0.0347511700000000, 0.0066043800000000 ] - [ -0.0032774900000000, -0.0141449800000000, -0.0013988900000000 ] - [ 0.0002875600000000, 0.0007408300000000, 0.0038507800000000 ] - [ 0.0005468200000000, -0.0001638500000000, 0.0031547600000000 ] - [ 0.0005287500000000, -0.0008184700000000, 0.0039075400000000 ] - [ 0.0000644900000000, 0.0000587200000000, 0.0031964000000000 ] - [ 0.0070795500000000, 0.0026670800000000, -0.0141212300000000 ] - [ -0.0014437200000000, -0.0004347600000000, -0.0041062100000000 ] - [ 0.0045506200000000, -0.0181150600000000, 0.0017791700000000 ] - [ 0.0030922500000000, 0.0084398000000000, -0.0077904400000000 ] - [ -0.0020858900000000, -0.0012443900000000, 0.0028358300000000 ] - [ -0.0004529700000000, 0.0007383600000000, 0.0018994300000000 ] - [ -0.0007948100000000, -0.0039303100000000, -0.0009067400000000 ] - [ -0.0140454800000000, 0.0129650400000000, 0.0137313800000000 ] - [ -0.0004488700000000, 0.0002686700000000, 0.0033044100000000 ] - [ -0.0009305100000000, -0.0003309200000000, 0.0034506600000000 ] - [ 0.0017880700000000, 0.0010589700000000, 0.0039792300000000 ] - [ 0.0005064700000000, -0.0000698400000000, 0.0018809400000000 ] - [ 0.0000634800000000, -0.0002524000000000, 0.0031310700000000 ] - [ 0.0000073900000000, -0.0002764800000000, 0.0026760600000000 ] - [ 0.1140591200000000, -0.0259676700000000, -0.6395882500000000 ] - [ 0.0047408400000000, 0.0026421400000000, -0.0055695300000000 ] - [ -0.0018093000000000, 0.0030572500000000, 0.0073926900000000 ] - [ 0.0008278600000000, -0.0028946300000000, 0.0099843200000000 ] - [ -0.0013493000000000, 0.0017949500000000, 0.0034131100000000 ] - [ 0.0002997800000000, -0.0032094400000000, -0.0014735000000000 ] - [ -0.0000141900000000, -0.0004390200000000, 0.0040110300000000 ] - [ -0.0000599200000000, 0.0003478700000000, 0.0040063100000000 ] - [ -0.0065565500000000, 0.0028776800000000, -0.0154465900000000 ] - [ -0.0010754300000000, -0.0038473600000000, -0.0056834000000000 ] - [ -0.0004537600000000, 0.0002825600000000, 0.0052152400000000 ] - [ -0.0004146900000000, 0.0000532200000000, 0.0044525200000000 ] - [ -0.0004135700000000, 0.0008201400000000, 0.0046889700000000 ] - [ 0.0001520300000000, -0.0008298700000000, 0.0029065800000000 ] - [ -0.0011595500000000, -0.0044851700000000, 0.0109752900000000 ] - [ -0.0006142300000000, 0.0028221300000000, 0.0046681400000000 ] - [ 0.0000158200000000, 0.0004324700000000, 0.0005519300000000 ] - [ 0.0000360100000000, 0.0003982700000000, 0.0006789800000000 ] - [ 0.0004609900000000, 0.0001938500000000, 0.0007070000000000 ] - [ 0.0004865800000000, 0.0001755500000000, 0.0006892200000000 ] - [ -0.0028364900000000, 0.0006663200000000, -0.0019951300000000 ] - [ -0.0028353200000000, -0.0004884600000000, -0.0016659000000000 ] - [ 0.0009694200000000, -0.0000145900000000, 0.0010422300000000 ] - [ 0.0007925000000000, -0.0001448900000000, 0.0007726700000000 ] - [ -0.0115131300000000, -0.0190768900000000, -0.0040601200000000 ] - [ 0.0018043500000000, 0.0007104000000000, 0.0000227900000000 ] - [ -0.0001947600000000, -0.0001665000000000, 0.0003877500000000 ] - [ -0.0000656100000000, -0.0005520200000000, 0.0003183700000000 ] - [ 0.0264348400000000, -0.0015707900000000, 0.0106380800000000 ] - [ 0.0000852600000000, 0.0003609200000000, -0.0009162700000000 ] - [ 0.0018251400000000, 0.0037982300000000, -0.0003778800000000 ] - [ 0.0000359000000000, 0.0000831300000000, -0.0004298700000000 ] - [ -0.0159420700000000, 0.0005462300000000, -0.0047763000000000 ] - [ -0.0004766400000000, -0.0006148500000000, 0.0012000000000000 ] - [ -0.0001633400000000, -0.0006409100000000, -0.0022737500000000 ] - [ -0.0000834900000000, 0.0000353500000000, -0.0005169100000000 ] - [ 0.0003901000000000, 0.0019671500000000, -0.0045817700000000 ] - [ 0.0000220400000000, -0.0000485300000000, -0.0021589700000000 ] - [ 0.0008541400000000, 0.0007170300000000, -0.0032420000000000 ] - [ 0.0006843600000000, 0.0025545300000000, -0.0041251700000000 ] - [ -0.0012430700000000, 0.0005021300000000, -0.0043895300000000 ] - [ -0.0012889700000000, -0.0013309700000000, -0.0013160200000000 ] - [ -0.0000182000000000, -0.0061872600000000, -0.0066968600000000 ] - [ -0.0003138400000000, 0.0030778900000000, -0.0045090500000000 ] - [ 0.0015612000000000, 0.0001608500000000, -0.0029191800000000 ] - [ 0.0014222900000000, 0.0002412900000000, -0.0024936200000000 ] - [ 0.0013257700000000, 0.0015451500000000, 0.0001971600000000 ] - [ 0.0009099700000000, -0.0013269400000000, -0.0012668300000000 ] - [ 0.0004888600000000, -0.0015224800000000, -0.0007843200000000 ] - [ 0.0007791900000000, 0.0013251900000000, 0.0022548300000000 ] - [ 0.0027096000000000, 0.0010975100000000, 0.0056969200000000 ] - [ 0.0010305800000000, -0.0013276100000000, 0.0038417000000000 ] - [ 0.0004380100000000, 0.0001629200000000, -0.0013791100000000 ] - [ 0.0005485100000000, -0.0003013400000000, -0.0015296000000000 ] - [ -0.0002394200000000, -0.0004241900000000, -0.0022011000000000 ] - [ -0.0001946000000000, -0.0003604000000000, -0.0018654200000000 ] - [ -0.0005366200000000, -0.0003732500000000, -0.0019365700000000 ] - [ -0.0006650900000000, 0.0000522100000000, -0.0012146200000000 ] - [ 0.0477395100000000, -0.0346316900000000, 0.0874533600000000 ] - [ 0.0007016100000000, 0.0000165800000000, 0.0026770200000000 ] - [ 0.0255764500000000, 0.0950784000000000, 0.2907605700000000 ] - [ 0.0000005900000000, 0.0006336900000000, 0.0042625500000000 ] - [ 0.0003740500000000, 0.0016570600000000, -0.0036446500000000 ] - [ 0.0014105900000000, -0.0009443300000000, -0.0009902800000000 ] - [ -0.0000239800000000, -0.0001480900000000, -0.0025108400000000 ] - [ 0.0001939600000000, -0.0005727700000000, -0.0019520200000000 ] - [ 0.0000337800000000, 0.0009214200000000, -0.0032183900000000 ] - [ -0.0001148600000000, 0.0009799300000000, -0.0025823500000000 ] - [ -0.0004076600000000, -0.0020450700000000, 0.0029840300000000 ] - [ -0.0016420700000000, 0.0018342500000000, 0.0019128800000000 ] - [ 0.0010336500000000, -0.0048692500000000, 0.0112610200000000 ] - [ -0.0108024800000000, -0.0232371200000000, 0.0651707100000000 ] - [ -0.0004717000000000, 0.0000609400000000, -0.0014449200000000 ] - [ -0.0007602900000000, 0.0009762500000000, -0.0012077800000000 ] - [ -0.1735212500000000, -0.0167055200000000, 0.1709072000000000 ] - [ -0.0037052500000000, -0.0006392200000000, 0.0031893400000000 ] - [ -0.0003805600000000, 0.0004988100000000, -0.0028564800000000 ] - [ -0.0003072700000000, 0.0008020600000000, -0.0024446800000000 ] - [ 0.0009221500000000, 0.0034638200000000, -0.0032383500000000 ] - [ -0.0018105500000000, -0.0055420500000000, -0.0019243200000000 ] - [ 0.0000933800000000, -0.0002874300000000, -0.0013956800000000 ] - [ -0.0000876300000000, 0.0003864400000000, -0.0004682600000000 ] - [ 0.0016470600000000, 0.0027759200000000, -0.0047766400000000 ] - [ 0.0003443500000000, -0.0004424200000000, -0.0006317600000000 ] - [ -0.0007885500000000, -0.0004503800000000, -0.0030768900000000 ] - [ -0.0012295200000000, -0.0019502000000000, -0.0025308900000000 ] - [ 0.0068108400000000, 0.0112616700000000, 0.0045410400000000 ] - [ 0.0023946600000000, -0.0054752500000000, 0.0040630800000000 ] - [ -0.0003944200000000, -0.0005479800000000, -0.0016864800000000 ] - [ -0.0001121000000000, 0.0002055300000000, -0.0011346400000000 ] - [ 0.0109909200000000, -0.0046966000000000, 0.0017090400000000 ] - [ 0.0008435300000000, 0.0004775000000000, 0.0021772000000000 ] - [ -0.0012727900000000, 0.0018564400000000, -0.0002185800000000 ] - [ 0.0009971000000000, -0.0020910400000000, 0.0006775600000000 ] - [ -0.0000048600000000, -0.0004543100000000, -0.0013690000000000 ] - [ -0.0000941800000000, -0.0003727600000000, -0.0013900400000000 ] - [ -0.0003494200000000, 0.0008371900000000, -0.0029796600000000 ] - [ -0.0003317000000000, 0.0007185000000000, -0.0029182900000000 ] - [ -0.0004049200000000, -0.0002764500000000, -0.0016012500000000 ] - [ -0.0002630300000000, -0.0010517000000000, -0.0018538600000000 ] - [ 0.0000213600000000, 0.0042603600000000, 0.0088687300000000 ] - [ 0.0020300000000000, 0.0011662200000000, 0.0043462800000000 ] - [ -0.0001487600000000, -0.0000906700000000, -0.0025455800000000 ] - [ -0.0001290500000000, 0.0000581200000000, -0.0023094500000000 ]- atom: 25 displacement: [ 0.0009337289454915, 0.0000000000000000, -0.0099563120811047 ] forces: - [ -0.0028468900000000, 0.0032689700000000, -0.0035705500000000 ] - [ -0.0017083200000000, -0.0012745100000000, -0.0006795600000000 ] - [ 0.0052430200000000, 0.0010535300000000, -0.0028951600000000 ] - [ 0.0009748300000000, -0.0003749500000000, 0.0005276400000000 ] - [ 0.0115930200000000, -0.0345827300000000, -0.0063662000000000 ] - [ 0.0033333900000000, 0.0140458500000000, 0.0015599600000000 ] - [ -0.0001593200000000, -0.0006078200000000, -0.0035224500000000 ] - [ -0.0004160100000000, 0.0002806400000000, -0.0028260600000000 ] - [ -0.0004818500000000, 0.0008166700000000, -0.0037333800000000 ] - [ -0.0000136400000000, -0.0000687500000000, -0.0030163800000000 ] - [ -0.0071024600000000, -0.0026733600000000, 0.0139117200000000 ] - [ 0.0013989500000000, 0.0004255100000000, 0.0039258800000000 ] - [ -0.0046616300000000, 0.0183249800000000, -0.0015149500000000 ] - [ -0.0031971100000000, -0.0083531700000000, 0.0080377800000000 ] - [ 0.0019766300000000, 0.0011258400000000, -0.0031630800000000 ] - [ 0.0003296600000000, -0.0008620800000000, -0.0022227400000000 ] - [ 0.0009310500000000, 0.0038149700000000, 0.0012701200000000 ] - [ 0.0143256100000000, -0.0131370700000000, -0.0133859600000000 ] - [ 0.0003750000000000, -0.0003899300000000, -0.0031190300000000 ] - [ 0.0008505300000000, 0.0002053600000000, -0.0032578800000000 ] - [ -0.0017364400000000, -0.0009429600000000, -0.0041807500000000 ] - [ -0.0004367100000000, 0.0001937300000000, -0.0020669400000000 ] - [ -0.0001151000000000, 0.0002596100000000, -0.0033156200000000 ] - [ -0.0000577300000000, 0.0002847900000000, -0.0028608300000000 ] - [ -0.1252230200000000, 0.0141728900000000, 0.6271446200000000 ] - [ -0.0045300600000000, -0.0028102400000000, 0.0057900000000000 ] - [ 0.0026077600000000, -0.0029498900000000, -0.0075584300000000 ] - [ -0.0000395100000000, 0.0030230600000000, -0.0100694300000000 ] - [ 0.0005367400000000, -0.0018878700000000, -0.0032202600000000 ] - [ -0.0010842500000000, 0.0030909700000000, 0.0016357100000000 ] - [ -0.0001983700000000, 0.0002638600000000, -0.0042328600000000 ] - [ -0.0001502900000000, -0.0005310000000000, -0.0042295900000000 ] - [ 0.0063302200000000, -0.0026991900000000, 0.0151833600000000 ] - [ 0.0008636700000000, 0.0039972100000000, 0.0054291900000000 ] - [ 0.0006583500000000, -0.0001006900000000, -0.0049978400000000 ] - [ 0.0006202300000000, 0.0001234500000000, -0.0042354700000000 ] - [ -0.0003772000000000, -0.0006992300000000, -0.0045557500000000 ] - [ -0.0009391100000000, 0.0009322700000000, -0.0027760500000000 ] - [ 0.0019896600000000, 0.0044206900000000, -0.0111429300000000 ] - [ 0.0014105300000000, -0.0029590000000000, -0.0048218600000000 ] - [ 0.0000172000000000, 0.0004243700000000, -0.0004416200000000 ] - [ -0.0000028300000000, 0.0004590100000000, -0.0005673800000000 ] - [ -0.0009699200000000, 0.0001025100000000, -0.0008203600000000 ] - [ -0.0009937600000000, 0.0001204500000000, -0.0008021500000000 ] - [ 0.0023293900000000, -0.0009686200000000, 0.0018836200000000 ] - [ 0.0023282400000000, 0.0001941000000000, 0.0015511100000000 ] - [ -0.0004625000000000, -0.0002828400000000, -0.0009314100000000 ] - [ -0.0002845500000000, -0.0001508900000000, -0.0006606200000000 ] - [ 0.0115303100000000, 0.0181126600000000, 0.0041817400000000 ] - [ -0.0017735500000000, -0.0015685900000000, 0.0000942000000000 ] - [ 0.0001628700000000, -0.0006934700000000, -0.0004980600000000 ] - [ 0.0000337100000000, -0.0003050400000000, -0.0004290000000000 ] - [ -0.0258784800000000, 0.0019310200000000, -0.0104969400000000 ] - [ 0.0004203000000000, -0.0000665300000000, 0.0010250800000000 ] - [ -0.0018613300000000, -0.0029182800000000, 0.0002612800000000 ] - [ -0.0000707700000000, 0.0007705000000000, 0.0003150800000000 ] - [ 0.0151476900000000, -0.0009970200000000, 0.0046098000000000 ] - [ -0.0003500800000000, 0.0002142900000000, -0.0013818500000000 ] - [ 0.0000323400000000, 0.0013498500000000, 0.0026453200000000 ] - [ -0.0000478500000000, 0.0006868200000000, 0.0008990500000000 ] - [ -0.0006269600000000, -0.0023005300000000, 0.0050314800000000 ] - [ -0.0002434700000000, -0.0002727300000000, 0.0026020700000000 ] - [ -0.0007210400000000, -0.0000136100000000, 0.0028832500000000 ] - [ -0.0005472000000000, -0.0018435900000000, 0.0037447500000000 ] - [ 0.0011450300000000, -0.0007366400000000, 0.0045504300000000 ] - [ 0.0012008700000000, 0.0011218900000000, 0.0014464000000000 ] - [ -0.0001972000000000, 0.0065421300000000, 0.0071873700000000 ] - [ 0.0000917800000000, -0.0027383700000000, 0.0049230300000000 ] - [ -0.0008869800000000, 0.0000576600000000, 0.0023017400000000 ] - [ -0.0007502500000000, -0.0000199700000000, 0.0018795300000000 ] - [ -0.0009730400000000, -0.0015092300000000, -0.0001423000000000 ] - [ -0.0005493700000000, 0.0013415200000000, 0.0013019500000000 ] - [ -0.0002576300000000, 0.0011790300000000, 0.0003030400000000 ] - [ -0.0005526000000000, -0.0016473600000000, -0.0027047200000000 ] - [ -0.0022753700000000, -0.0006934500000000, -0.0056878000000000 ] - [ -0.0006119400000000, 0.0017232200000000, -0.0038532900000000 ] - [ -0.0011083300000000, -0.0003754600000000, 0.0019901700000000 ] - [ -0.0012244900000000, 0.0000806300000000, 0.0021475000000000 ] - [ -0.0000671500000000, 0.0007140500000000, 0.0019788900000000 ] - [ -0.0001163200000000, 0.0006522800000000, 0.0016470200000000 ] - [ -0.0002950700000000, 0.0007790400000000, 0.0017500300000000 ] - [ -0.0001638900000000, 0.0003592200000000, 0.0010382400000000 ] - [ -0.0491601400000000, 0.0349642900000000, -0.0875447600000000 ] - [ -0.0010252300000000, -0.0003187000000000, -0.0029109300000000 ] - [ -0.0227719400000000, -0.0868412100000000, -0.2734968400000000 ] - [ -0.0001255000000000, -0.0004201300000000, -0.0036107800000000 ] - [ -0.0004560000000000, -0.0014487600000000, 0.0037646300000000 ] - [ -0.0015004100000000, 0.0011600400000000, 0.0011308700000000 ] - [ 0.0004439200000000, -0.0002456300000000, 0.0024970800000000 ] - [ 0.0002220100000000, 0.0001812000000000, 0.0019330300000000 ] - [ 0.0001874400000000, -0.0006009700000000, 0.0027802700000000 ] - [ 0.0003389600000000, -0.0006575200000000, 0.0021493900000000 ] - [ -0.0002690500000000, 0.0022570200000000, -0.0023582600000000 ] - [ 0.0009691900000000, -0.0016090400000000, -0.0012906000000000 ] - [ -0.0014524500000000, 0.0044844300000000, -0.0112505800000000 ] - [ 0.0107320800000000, 0.0241740700000000, -0.0654741900000000 ] - [ 0.0008301700000000, -0.0001087700000000, 0.0015175700000000 ] - [ 0.0011145200000000, -0.0010082300000000, 0.0012721400000000 ] - [ 0.1831987100000000, 0.0179771000000000, -0.1755372700000000 ] - [ 0.0043848200000000, 0.0004231100000000, -0.0038180700000000 ] - [ 0.0002564200000000, -0.0007071100000000, 0.0034949200000000 ] - [ 0.0001817900000000, -0.0010164700000000, 0.0030813800000000 ] - [ -0.0007966700000000, -0.0041873700000000, 0.0028600300000000 ] - [ 0.0019354100000000, 0.0048474800000000, 0.0015446600000000 ] - [ -0.0002098800000000, -0.0004216200000000, 0.0017511200000000 ] - [ -0.0000505100000000, -0.0010801500000000, 0.0008214100000000 ] - [ -0.0020446000000000, -0.0027450700000000, 0.0047300800000000 ] - [ -0.0007028100000000, 0.0004865100000000, 0.0005616600000000 ] - [ 0.0004214300000000, 0.0004064500000000, 0.0030078700000000 ] - [ 0.0008665800000000, 0.0019288600000000, 0.0024861600000000 ] - [ -0.0059578900000000, -0.0107501500000000, -0.0043598300000000 ] - [ -0.0015592400000000, 0.0058605000000000, -0.0038746200000000 ] - [ 0.0004847700000000, 0.0007585400000000, 0.0015577400000000 ] - [ 0.0002039700000000, 0.0000096500000000, 0.0010050500000000 ] - [ -0.0106836300000000, 0.0049732300000000, -0.0014564500000000 ] - [ -0.0005289800000000, -0.0001835500000000, -0.0019429600000000 ] - [ 0.0013608300000000, -0.0020635600000000, 0.0000701500000000 ] - [ -0.0009012500000000, 0.0018744900000000, -0.0008352100000000 ] - [ 0.0008346100000000, 0.0000461400000000, 0.0015517200000000 ] - [ 0.0009212400000000, -0.0000357900000000, 0.0015699600000000 ] - [ 0.0004770800000000, -0.0006241200000000, 0.0023491700000000 ] - [ 0.0004574700000000, -0.0005071900000000, 0.0022869300000000 ] - [ 0.0007189400000000, -0.0000151900000000, 0.0018224800000000 ] - [ 0.0005724100000000, 0.0007669800000000, 0.0020789800000000 ] - [ 0.0000900700000000, -0.0044513700000000, -0.0094806100000000 ] - [ -0.0019063200000000, -0.0013780000000000, -0.0049613600000000 ] - [ -0.0002658200000000, 0.0004793300000000, 0.0025682600000000 ] - [ -0.0002861600000000, 0.0003318400000000, 0.0023249200000000 ]- atom: 27 displacement: [ 0.0099999541101204, 0.0000000000000000, -0.0000302951396548 ] forces: - [ 0.0001781400000000, 0.0012278100000000, -0.0012403300000000 ] - [ 0.0423348600000000, -0.0059933400000000, -0.0153061700000000 ] - [ 0.0012310400000000, 0.0016217600000000, -0.0002823000000000 ] - [ 0.0319336500000000, -0.0142335500000000, 0.0126355300000000 ] - [ -0.0097895800000000, -0.0002140900000000, -0.0010676000000000 ] - [ -0.0039258600000000, -0.0022376200000000, 0.0026454200000000 ] - [ -0.0098896200000000, -0.0023882200000000, 0.0031957200000000 ] - [ -0.0019415000000000, 0.0204539200000000, 0.0163857700000000 ] - [ -0.0001559800000000, -0.0004183900000000, -0.0007060600000000 ] - [ 0.0000902700000000, 0.0002198900000000, -0.0001373500000000 ] - [ -0.0003815500000000, 0.0000955900000000, 0.0008030400000000 ] - [ 0.0001629500000000, -0.0008058700000000, 0.0022654700000000 ] - [ -0.0003825700000000, -0.0002443100000000, -0.0004320700000000 ] - [ -0.0002307800000000, -0.0000483600000000, 0.0001469800000000 ] - [ -0.0000399800000000, -0.0000525400000000, -0.0001563700000000 ] - [ -0.0000399300000000, -0.0000431900000000, -0.0000170100000000 ] - [ 0.0002793500000000, 0.0000748800000000, -0.0001549600000000 ] - [ 0.0002499900000000, -0.0001400400000000, -0.0000333200000000 ] - [ 0.0077580600000000, 0.0107313400000000, -0.0179919000000000 ] - [ -0.0005433800000000, -0.0018950300000000, -0.0013097200000000 ] - [ 0.0000466900000000, 0.0000799400000000, -0.0001109000000000 ] - [ 0.0000169800000000, -0.0000199800000000, -0.0000975400000000 ] - [ 0.0008668900000000, 0.0001634300000000, 0.0000611800000000 ] - [ 0.0028850600000000, -0.0008591400000000, 0.0003993600000000 ] - [ -0.0009222900000000, -0.0014016400000000, -0.0022180400000000 ] - [ -0.0005535200000000, 0.0028782300000000, 0.0004660900000000 ] - [ -0.6577592700000000, 0.0318812000000000, 0.0136081900000000 ] - [ -0.0021947200000000, 0.0009805500000000, -0.0006152700000000 ] - [ -0.0004097700000000, 0.0000086600000000, 0.0003855400000000 ] - [ -0.0006687300000000, 0.0003240500000000, 0.0006375600000000 ] - [ 0.0002009500000000, 0.0000014700000000, -0.0001138700000000 ] - [ 0.0002177300000000, -0.0002621000000000, 0.0004569100000000 ] - [ 0.0085206000000000, 0.0065330600000000, -0.0002884900000000 ] - [ 0.0081110400000000, -0.0026623900000000, 0.0013522000000000 ] - [ 0.0006393000000000, 0.0015387400000000, -0.0008700400000000 ] - [ -0.0084035200000000, -0.0014431700000000, -0.0023034600000000 ] - [ 0.0132567100000000, -0.0016351200000000, 0.0029246900000000 ] - [ 0.0131996100000000, -0.0012479200000000, -0.0018790100000000 ] - [ 0.0004224600000000, -0.0001482600000000, -0.0004862300000000 ] - [ 0.0004101500000000, -0.0000289600000000, -0.0001908900000000 ] - [ -0.0010458500000000, -0.0009446400000000, 0.0022679500000000 ] - [ -0.0008153400000000, 0.0014211800000000, -0.0000756400000000 ] - [ 0.0000251400000000, 0.0003002000000000, 0.0011041200000000 ] - [ 0.0001994600000000, 0.0002416100000000, 0.0003478400000000 ] - [ 0.0005193900000000, -0.0002315300000000, 0.0000442500000000 ] - [ 0.0004945700000000, -0.0001020500000000, 0.0000046600000000 ] - [ 0.0000130500000000, -0.0001437500000000, -0.0000359800000000 ] - [ 0.0000518800000000, -0.0001856600000000, 0.0001413400000000 ] - [ 0.0000571000000000, -0.0004983300000000, -0.0000830800000000 ] - [ -0.0000122200000000, -0.0003125300000000, -0.0001468600000000 ] - [ -0.0000264400000000, -0.0003916900000000, 0.0000012800000000 ] - [ 0.0000416600000000, -0.0005095600000000, -0.0000062300000000 ] - [ 0.0004972100000000, -0.0003641200000000, -0.0001944400000000 ] - [ -0.0020955500000000, 0.0015472100000000, -0.0038435300000000 ] - [ 0.0007164400000000, 0.0003737800000000, -0.0004792000000000 ] - [ 0.0024779600000000, 0.0032329300000000, 0.0000352400000000 ] - [ -0.0010394400000000, 0.0002845900000000, 0.0000362200000000 ] - [ -0.0037719600000000, -0.0039873300000000, 0.0065400100000000 ] - [ -0.0032406100000000, 0.0007979300000000, 0.0005987900000000 ] - [ -0.0123613100000000, 0.0006409800000000, 0.0030517000000000 ] - [ -0.0000688700000000, -0.0001785300000000, 0.0005154800000000 ] - [ -0.0000799000000000, -0.0002299400000000, 0.0003253200000000 ] - [ 0.0658182300000000, 0.0216473400000000, -0.0272086300000000 ] - [ 0.0049339500000000, -0.0018075800000000, 0.0008111500000000 ] - [ 0.0000068500000000, -0.0000551800000000, 0.0001840500000000 ] - [ 0.0000008000000000, -0.0000981800000000, 0.0000882600000000 ] - [ 0.0803637300000000, -0.0363197800000000, -0.0638445400000000 ] - [ 0.0018718300000000, -0.0000306200000000, 0.0005361600000000 ] - [ 0.0005041300000000, -0.0018227800000000, 0.0010403600000000 ] - [ 0.0092339800000000, 0.0025446000000000, -0.0063513000000000 ] - [ 0.0000641000000000, -0.0001466100000000, -0.0000632800000000 ] - [ 0.0000754600000000, -0.0000535300000000, -0.0000411200000000 ] - [ 0.0000301100000000, -0.0002476800000000, -0.0005660200000000 ] - [ -0.0001126400000000, -0.0003945500000000, -0.0010014200000000 ] - [ -0.0010243500000000, 0.0017213600000000, -0.0006266400000000 ] - [ -0.0049483300000000, -0.0035496500000000, -0.0061422500000000 ] - [ -0.0004426400000000, -0.0000913200000000, 0.0003234300000000 ] - [ -0.0003957900000000, -0.0000856200000000, 0.0001750000000000 ] - [ -0.0006659500000000, -0.0002522000000000, -0.0000374700000000 ] - [ 0.0013065500000000, 0.0025871500000000, 0.0047573100000000 ] - [ -0.0002786100000000, 0.0001952900000000, -0.0000871300000000 ] - [ -0.0003252200000000, 0.0002655400000000, -0.0002455400000000 ] - [ 0.0005856700000000, -0.0000443900000000, 0.0002217600000000 ] - [ 0.0008315300000000, -0.0006750200000000, -0.0001321300000000 ] - [ 0.0007267100000000, 0.0027917000000000, 0.0029649200000000 ] - [ 0.0032544600000000, -0.0016079500000000, -0.0009908300000000 ] - [ 0.0016098900000000, -0.0013482900000000, 0.0003651700000000 ] - [ 0.2612118200000000, -0.1362079600000000, 0.0275258100000000 ] - [ 0.0000402500000000, -0.0002093500000000, -0.0001016000000000 ] - [ -0.0000528600000000, 0.0000697000000000, -0.0000990300000000 ] - [ -0.0024047400000000, 0.0011830700000000, -0.0020711600000000 ] - [ -0.0050795700000000, -0.0004310500000000, -0.0008467600000000 ] - [ -0.0047026700000000, -0.0002536500000000, 0.0025219400000000 ] - [ -0.0042510300000000, -0.0005629700000000, 0.0014655000000000 ] - [ 0.0008828100000000, -0.0014654500000000, 0.0027470100000000 ] - [ 0.0004181200000000, 0.0010395000000000, 0.0000918800000000 ] - [ -0.0059262300000000, 0.0083572400000000, -0.0041099000000000 ] - [ -0.0081055000000000, -0.0031623600000000, 0.0008484700000000 ] - [ 0.0003158200000000, 0.0001758800000000, 0.0002838600000000 ] - [ 0.0007265200000000, -0.0006487100000000, -0.0005911200000000 ] - [ -0.0000416100000000, -0.0006019100000000, 0.0010220300000000 ] - [ 0.0018923700000000, 0.0004056500000000, -0.0004904000000000 ] - [ 0.0000126700000000, -0.0002184300000000, 0.0001037400000000 ] - [ 0.0001315600000000, -0.0003000900000000, -0.0001234800000000 ] - [ -0.0000703300000000, -0.0003212200000000, 0.0001035400000000 ] - [ -0.0000363900000000, -0.0003384900000000, 0.0000368900000000 ] - [ -0.0002142300000000, -0.0000206800000000, 0.0001055000000000 ] - [ -0.0001874500000000, -0.0000107600000000, -0.0000080200000000 ] - [ 0.0016537700000000, -0.0007563300000000, -0.0007895800000000 ] - [ 0.1997682800000000, 0.1102404700000000, 0.0560780200000000 ] - [ -0.0001091500000000, 0.0002575200000000, 0.0004497100000000 ] - [ 0.0000041400000000, 0.0000822600000000, 0.0002469800000000 ] - [ -0.0072750800000000, -0.0037327200000000, 0.0001173800000000 ] - [ -0.0059062700000000, 0.0001625300000000, 0.0008563900000000 ] - [ 0.0013427300000000, -0.0019856000000000, -0.0025368500000000 ] - [ -0.0040014100000000, 0.0070040100000000, -0.0052215500000000 ] - [ 0.0003012900000000, -0.0002121500000000, -0.0000371200000000 ] - [ 0.0000808400000000, -0.0000857300000000, -0.0001438700000000 ] - [ 0.0030277900000000, 0.0014552900000000, 0.0004497300000000 ] - [ 0.0009403700000000, -0.0011664700000000, -0.0002068200000000 ] - [ -0.0003806200000000, 0.0001319300000000, -0.0003937700000000 ] - [ -0.0003705000000000, 0.0000617300000000, -0.0007180500000000 ] - [ -0.0000169000000000, -0.0001397300000000, 0.0001772500000000 ] - [ -0.0000621100000000, -0.0002173600000000, -0.0000060400000000 ] - [ -0.0015068500000000, -0.0015503200000000, -0.0012058100000000 ] - [ -0.0017058100000000, 0.0001430100000000, -0.0014619100000000 ] - [ 0.0000773100000000, -0.0006595700000000, 0.0010875900000000 ] - [ 0.0012381400000000, 0.0002152300000000, 0.0002043400000000 ]- atom: 27 displacement: [ -0.0099999541101204, 0.0000000000000000, 0.0000302951396548 ] forces: - [ -0.0003192300000000, -0.0011271800000000, 0.0009047400000000 ] - [ -0.0419541300000000, 0.0061074500000000, 0.0147671200000000 ] - [ -0.0011343700000000, -0.0017612000000000, 0.0000829500000000 ] - [ -0.0318926500000000, 0.0142778300000000, -0.0128523300000000 ] - [ 0.0098712100000000, 0.0002350800000000, 0.0012255500000000 ] - [ 0.0039648400000000, 0.0022302800000000, -0.0024465300000000 ] - [ 0.0099409800000000, 0.0024697500000000, -0.0028334400000000 ] - [ 0.0020729300000000, -0.0202791800000000, -0.0160368000000000 ] - [ 0.0002046700000000, 0.0004116300000000, 0.0008861800000000 ] - [ -0.0000419400000000, -0.0002293200000000, 0.0003164300000000 ] - [ 0.0003387500000000, -0.0001154200000000, -0.0009861600000000 ] - [ -0.0002027500000000, 0.0007995500000000, -0.0024487200000000 ] - [ 0.0003101200000000, 0.0003620800000000, 0.0006284800000000 ] - [ 0.0001568200000000, 0.0001606900000000, 0.0000503100000000 ] - [ -0.0000864500000000, -0.0000753200000000, -0.0001760200000000 ] - [ -0.0000849400000000, -0.0000847400000000, -0.0003149600000000 ] - [ -0.0001583900000000, -0.0001923700000000, 0.0004894800000000 ] - [ -0.0001254400000000, 0.0000212400000000, 0.0003684300000000 ] - [ -0.0078236900000000, -0.0108655800000000, 0.0183260900000000 ] - [ 0.0004800200000000, 0.0017626300000000, 0.0014883200000000 ] - [ 0.0000304000000000, 0.0000400500000000, -0.0000770100000000 ] - [ 0.0000594400000000, 0.0001416100000000, -0.0000908600000000 ] - [ -0.0009037700000000, -0.0001655900000000, -0.0002245200000000 ] - [ -0.0029305900000000, 0.0008740400000000, -0.0005749600000000 ] - [ 0.0011135600000000, 0.0012093900000000, 0.0024497900000000 ] - [ 0.0007383800000000, -0.0030730100000000, -0.0002291200000000 ] - [ 0.6638702800000000, -0.0512904600000000, -0.0146678100000000 ] - [ 0.0029613700000000, -0.0008892300000000, 0.0004669700000000 ] - [ -0.0003657500000000, -0.0001215200000000, -0.0002425200000000 ] - [ -0.0001023300000000, -0.0004392000000000, -0.0004961900000000 ] - [ -0.0003887100000000, -0.0001876100000000, -0.0000964700000000 ] - [ -0.0004061300000000, 0.0000764000000000, -0.0006747700000000 ] - [ -0.0086962200000000, -0.0063104000000000, 0.0000171300000000 ] - [ -0.0082619900000000, 0.0028339600000000, -0.0015738600000000 ] - [ -0.0004370100000000, -0.0013530300000000, 0.0010859700000000 ] - [ 0.0086156400000000, 0.0016358800000000, 0.0025168100000000 ] - [ -0.0139689100000000, 0.0016486800000000, -0.0027617200000000 ] - [ -0.0139958800000000, 0.0014253200000000, 0.0020596300000000 ] - [ 0.0003521900000000, 0.0000359700000000, 0.0003485500000000 ] - [ 0.0003650400000000, -0.0000825000000000, 0.0000533400000000 ] - [ 0.0010594000000000, 0.0018246000000000, -0.0021651100000000 ] - [ 0.0008420000000000, -0.0005481600000000, 0.0001840800000000 ] - [ -0.0005128600000000, 0.0000024400000000, -0.0012059700000000 ] - [ -0.0006929000000000, 0.0000580900000000, -0.0004567000000000 ] - [ -0.0010149600000000, -0.0000692000000000, -0.0001572400000000 ] - [ -0.0009836700000000, -0.0001979300000000, -0.0001146000000000 ] - [ 0.0004772600000000, -0.0001570000000000, 0.0001447100000000 ] - [ 0.0004379100000000, -0.0001146000000000, -0.0000333700000000 ] - [ -0.0000305000000000, -0.0003763300000000, 0.0001910300000000 ] - [ 0.0000387400000000, -0.0005614800000000, 0.0002533100000000 ] - [ -0.0000024000000000, -0.0004817400000000, -0.0001087400000000 ] - [ -0.0000706400000000, -0.0003629500000000, -0.0001009900000000 ] - [ -0.0000172400000000, 0.0006659600000000, 0.0003010400000000 ] - [ 0.0025479500000000, -0.0012445100000000, 0.0039370800000000 ] - [ -0.0007502200000000, 0.0004868800000000, 0.0003640700000000 ] - [ -0.0024929700000000, -0.0023358700000000, -0.0001342200000000 ] - [ 0.0002294300000000, -0.0007091900000000, -0.0001900800000000 ] - [ 0.0029534700000000, 0.0035241800000000, -0.0066717300000000 ] - [ 0.0030675500000000, -0.0000614400000000, -0.0002071000000000 ] - [ 0.0121585700000000, -0.0000026700000000, -0.0027017500000000 ] - [ -0.0001485200000000, -0.0001558500000000, -0.0000546400000000 ] - [ -0.0001386400000000, -0.0001039600000000, 0.0001341000000000 ] - [ -0.0651791300000000, -0.0202874100000000, 0.0261973200000000 ] - [ -0.0047803400000000, 0.0025312700000000, -0.0011762800000000 ] - [ -0.0000630900000000, -0.0001439700000000, -0.0000451200000000 ] - [ -0.0000573900000000, -0.0001014600000000, 0.0000506600000000 ] - [ -0.0812793500000000, 0.0364081600000000, 0.0637645500000000 ] - [ -0.0020785300000000, 0.0003786000000000, -0.0000740600000000 ] - [ 0.0001721100000000, 0.0020384000000000, -0.0016499700000000 ] - [ -0.0085395400000000, -0.0023212100000000, 0.0057140200000000 ] - [ 0.0002843400000000, 0.0001739000000000, 0.0001232500000000 ] - [ 0.0002708000000000, 0.0000825500000000, 0.0001037700000000 ] - [ 0.0001893900000000, -0.0000844300000000, 0.0001059000000000 ] - [ 0.0003275500000000, 0.0000615600000000, 0.0005424600000000 ] - [ 0.0014223500000000, -0.0013123300000000, 0.0006067000000000 ] - [ 0.0053297000000000, 0.0039177700000000, 0.0061088100000000 ] - [ -0.0002398900000000, -0.0001397000000000, 0.0003022700000000 ] - [ -0.0002823600000000, -0.0001423700000000, 0.0004483500000000 ] - [ 0.0003566300000000, 0.0005527100000000, -0.0001819400000000 ] - [ -0.0016321600000000, -0.0022911100000000, -0.0049779000000000 ] - [ -0.0005402100000000, 0.0002381000000000, -0.0000736100000000 ] - [ -0.0004936800000000, 0.0001640200000000, 0.0000844800000000 ] - [ -0.0008894800000000, -0.0002503400000000, -0.0004415400000000 ] - [ -0.0011364900000000, 0.0003799300000000, -0.0000893800000000 ] - [ -0.0008478500000000, -0.0025985800000000, -0.0023498200000000 ] - [ -0.0033567300000000, 0.0018241700000000, 0.0016086600000000 ] - [ -0.0016807400000000, 0.0015541900000000, -0.0002269300000000 ] - [ -0.2754624900000000, 0.1471863000000000, -0.0291547200000000 ] - [ 0.0003648600000000, -0.0001782500000000, 0.0000743400000000 ] - [ 0.0004570400000000, -0.0004587300000000, 0.0000755100000000 ] - [ 0.0026172900000000, -0.0008174700000000, 0.0015752800000000 ] - [ 0.0053114300000000, 0.0007484300000000, 0.0003918500000000 ] - [ 0.0039917200000000, 0.0004927800000000, -0.0018607500000000 ] - [ 0.0035500400000000, 0.0007868100000000, -0.0008348500000000 ] - [ -0.0012966100000000, 0.0010808300000000, -0.0027534800000000 ] - [ -0.0008249100000000, -0.0014269900000000, -0.0000771900000000 ] - [ 0.0062237100000000, -0.0082945300000000, 0.0041299200000000 ] - [ 0.0085023000000000, 0.0031619700000000, -0.0008053000000000 ] - [ 0.0003706200000000, -0.0004074600000000, -0.0009168500000000 ] - [ -0.0000347200000000, 0.0004182800000000, -0.0000437700000000 ] - [ -0.0000798800000000, 0.0003940200000000, -0.0003939800000000 ] - [ -0.0020154500000000, -0.0006173800000000, 0.0011249800000000 ] - [ 0.0001463400000000, -0.0004786400000000, -0.0004752700000000 ] - [ 0.0000323500000000, -0.0003998400000000, -0.0002516500000000 ] - [ -0.0000905100000000, -0.0003783900000000, 0.0002679100000000 ] - [ -0.0001220900000000, -0.0003596300000000, 0.0003339900000000 ] - [ -0.0001328900000000, 0.0000473700000000, -0.0001675400000000 ] - [ -0.0001636200000000, 0.0000393200000000, -0.0000551600000000 ] - [ -0.0019791300000000, 0.0007297700000000, 0.0007273100000000 ] - [ -0.1913881100000000, -0.1021594300000000, -0.0521351100000000 ] - [ 0.0009359400000000, 0.0001741700000000, -0.0002866900000000 ] - [ 0.0008165000000000, 0.0003491500000000, -0.0000865600000000 ] - [ 0.0073232000000000, 0.0039517000000000, -0.0002738200000000 ] - [ 0.0059465300000000, 0.0000255000000000, -0.0009994300000000 ] - [ -0.0010523700000000, 0.0022823100000000, 0.0027911100000000 ] - [ 0.0042717900000000, -0.0066601800000000, 0.0054031100000000 ] - [ -0.0002475700000000, 0.0000133200000000, -0.0001038800000000 ] - [ -0.0000283300000000, -0.0001120100000000, -0.0000006000000000 ] - [ -0.0021873800000000, -0.0018883000000000, -0.0002855600000000 ] - [ -0.0001174900000000, 0.0007352700000000, 0.0003658000000000 ] - [ 0.0005003900000000, 0.0000767600000000, -0.0002399500000000 ] - [ 0.0004909600000000, 0.0001506200000000, 0.0000879300000000 ] - [ 0.0003130100000000, -0.0001586100000000, 0.0000370400000000 ] - [ 0.0003598000000000, -0.0000794100000000, 0.0002226300000000 ] - [ 0.0016261400000000, 0.0013397400000000, 0.0005983500000000 ] - [ 0.0018149800000000, -0.0003526300000000, 0.0008292800000000 ] - [ -0.0004928400000000, 0.0010443400000000, -0.0010622500000000 ] - [ -0.0016485600000000, 0.0001708000000000, -0.0001813400000000 ]- atom: 27 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0010324300000000, 0.0054154700000000, -0.0003549900000000 ] - [ 0.0041622300000000, -0.0208101500000000, -0.0131151200000000 ] - [ 0.0023663500000000, 0.0031287700000000, 0.0019667000000000 ] - [ -0.0153551100000000, 0.0088826300000000, -0.0098042300000000 ] - [ 0.0086490700000000, 0.0058626400000000, 0.0167103300000000 ] - [ 0.0009477000000000, 0.0035942500000000, -0.0038945000000000 ] - [ -0.0185903100000000, 0.0175653200000000, -0.0118597800000000 ] - [ 0.0050242500000000, 0.0175456400000000, 0.0153100300000000 ] - [ -0.0000061200000000, -0.0022224300000000, -0.0019035300000000 ] - [ 0.0003109600000000, 0.0015311500000000, 0.0003583400000000 ] - [ 0.0004734600000000, 0.0005651500000000, -0.0005751500000000 ] - [ 0.0002926200000000, -0.0000143300000000, -0.0023153300000000 ] - [ 0.0003471200000000, 0.0002805400000000, 0.0006946600000000 ] - [ 0.0000959200000000, 0.0004212600000000, -0.0003032900000000 ] - [ -0.0002429600000000, -0.0000737500000000, -0.0006430800000000 ] - [ -0.0000843300000000, -0.0000881300000000, -0.0002142800000000 ] - [ -0.0000806700000000, -0.0007273700000000, 0.0000113000000000 ] - [ -0.0002059000000000, 0.0005815800000000, -0.0001381900000000 ] - [ 0.0227068500000000, -0.0081898400000000, -0.0119233300000000 ] - [ -0.0002863000000000, 0.0042888800000000, 0.0038920400000000 ] - [ 0.0002209400000000, 0.0004835500000000, -0.0004132100000000 ] - [ 0.0000958100000000, -0.0004675100000000, -0.0001521500000000 ] - [ 0.0004716800000000, 0.0015140500000000, -0.0007263600000000 ] - [ 0.0015845200000000, -0.0022011900000000, 0.0024967300000000 ] - [ 0.0010402500000000, 0.0028624000000000, 0.0032117000000000 ] - [ -0.0007090100000000, -0.0065342700000000, -0.0029379200000000 ] - [ 0.0424245600000000, -0.5515175600000000, -0.0245810800000000 ] - [ 0.0013175700000000, 0.0169811200000000, -0.0008551500000000 ] - [ -0.0003220700000000, 0.0003726600000000, -0.0005223800000000 ] - [ -0.0000063600000000, -0.0009208400000000, -0.0008928000000000 ] - [ 0.0001286000000000, -0.0002592000000000, -0.0008553200000000 ] - [ 0.0001386000000000, 0.0002676900000000, 0.0007958000000000 ] - [ 0.0015606700000000, -0.0098501100000000, 0.0018958000000000 ] - [ -0.0025195700000000, 0.0047034900000000, -0.0035101100000000 ] - [ 0.0026514800000000, 0.0064857100000000, -0.0025404300000000 ] - [ -0.0062421100000000, -0.0019229600000000, 0.0040035400000000 ] - [ 0.0009740000000000, 0.0052287000000000, 0.0009328100000000 ] - [ 0.0012772900000000, 0.0051792100000000, 0.0056619000000000 ] - [ 0.0004753100000000, 0.0002433000000000, -0.0007479200000000 ] - [ 0.0003563100000000, -0.0000595400000000, -0.0003174700000000 ] - [ -0.0004220100000000, -0.0044541500000000, -0.0001509800000000 ] - [ -0.0012506300000000, 0.0027261500000000, -0.0000804800000000 ] - [ -0.0019228500000000, 0.0001910400000000, 0.0004380400000000 ] - [ 0.0001958800000000, 0.0003928500000000, 0.0003978100000000 ] - [ -0.0005428100000000, -0.0002361000000000, -0.0001279000000000 ] - [ -0.0007051600000000, -0.0000014600000000, -0.0004523600000000 ] - [ -0.0001978400000000, -0.0000463600000000, -0.0002677200000000 ] - [ 0.0003874900000000, -0.0002973000000000, 0.0002486500000000 ] - [ -0.0001203500000000, -0.0003624100000000, 0.0002246500000000 ] - [ -0.0000781400000000, -0.0005720200000000, -0.0002250800000000 ] - [ -0.0001841100000000, -0.0001161200000000, -0.0000399600000000 ] - [ 0.0000881600000000, -0.0007690400000000, -0.0001589300000000 ] - [ -0.0002771900000000, 0.0010994500000000, 0.0004613900000000 ] - [ -0.0006799000000000, -0.0017659600000000, -0.0022632000000000 ] - [ -0.0012030300000000, 0.0002876800000000, 0.0004444600000000 ] - [ 0.0008806100000000, 0.0018111100000000, -0.0011147300000000 ] - [ 0.0006404900000000, -0.0012722900000000, -0.0005117800000000 ] - [ -0.0005014700000000, 0.0007025700000000, 0.0056860800000000 ] - [ -0.0008261700000000, -0.0020268100000000, -0.0008786700000000 ] - [ 0.0008272600000000, -0.0023892700000000, -0.0018078500000000 ] - [ 0.0000134900000000, -0.0002075900000000, 0.0009693300000000 ] - [ -0.0001084500000000, -0.0003892900000000, 0.0003333400000000 ] - [ 0.0200161000000000, 0.1487286900000000, -0.0942129200000000 ] - [ 0.0007555700000000, -0.0086453700000000, 0.0009343200000000 ] - [ -0.0001116900000000, -0.0002034800000000, 0.0002496400000000 ] - [ -0.0000111000000000, -0.0000192600000000, 0.0001339400000000 ] - [ -0.0318159500000000, 0.1049194700000000, 0.1003066600000000 ] - [ -0.0001307800000000, -0.0053400800000000, -0.0012307500000000 ] - [ -0.0002754900000000, -0.0041970300000000, 0.0021205200000000 ] - [ 0.0046130300000000, 0.0045292600000000, -0.0072900400000000 ] - [ 0.0003280600000000, 0.0004135900000000, 0.0003332300000000 ] - [ 0.0001519100000000, -0.0001000700000000, 0.0002097400000000 ] - [ 0.0000755500000000, -0.0002872000000000, 0.0001546600000000 ] - [ 0.0001756100000000, 0.0004066600000000, 0.0008607100000000 ] - [ -0.0000411000000000, -0.0029539900000000, 0.0003482000000000 ] - [ 0.0026940600000000, 0.0052291000000000, 0.0048475900000000 ] - [ -0.0004723500000000, 0.0000184100000000, 0.0006509400000000 ] - [ -0.0002341100000000, -0.0002808200000000, 0.0001156200000000 ] - [ -0.0017163600000000, -0.0026703600000000, -0.0009071300000000 ] - [ -0.0006735600000000, 0.0054075900000000, 0.0011514200000000 ] - [ -0.0000198600000000, -0.0000195500000000, 0.0002013100000000 ] - [ -0.0005196800000000, 0.0005560500000000, -0.0001840300000000 ] - [ -0.0007654200000000, -0.0006192600000000, -0.0005678600000000 ] - [ -0.0004303500000000, 0.0006340600000000, 0.0007885700000000 ] - [ -0.0004350600000000, -0.0027856000000000, -0.0024236400000000 ] - [ -0.0002476900000000, 0.0037487800000000, 0.0040421100000000 ] - [ 0.0013193000000000, -0.0066920500000000, 0.0002016700000000 ] - [ -0.1418992200000000, 0.1388087900000000, -0.0180652900000000 ] - [ -0.0000701200000000, -0.0002423400000000, 0.0003358100000000 ] - [ 0.0000885900000000, -0.0001804300000000, -0.0005614500000000 ] - [ 0.0001790700000000, -0.0010918100000000, -0.0001275900000000 ] - [ -0.0020329300000000, 0.0003210200000000, -0.0042781700000000 ] - [ 0.0004959800000000, 0.0023772600000000, -0.0003916500000000 ] - [ -0.0001236600000000, -0.0017407300000000, 0.0011707400000000 ] - [ -0.0007890300000000, 0.0031911600000000, -0.0034941300000000 ] - [ -0.0007611700000000, -0.0021802100000000, 0.0003021600000000 ] - [ 0.0025545400000000, 0.0052548400000000, -0.0019687400000000 ] - [ -0.0011228500000000, -0.0041751200000000, -0.0000400200000000 ] - [ 0.0005411000000000, -0.0007666700000000, -0.0010779300000000 ] - [ 0.0002400500000000, 0.0011053100000000, 0.0008489700000000 ] - [ -0.0001905900000000, -0.0022437500000000, 0.0022862200000000 ] - [ 0.0010925500000000, 0.0015496600000000, -0.0021161000000000 ] - [ 0.0001311300000000, -0.0002229700000000, -0.0000858400000000 ] - [ 0.0000675400000000, -0.0003959800000000, 0.0000012500000000 ] - [ -0.0001226200000000, -0.0006460600000000, 0.0005377200000000 ] - [ -0.0002085500000000, -0.0001790800000000, 0.0004044700000000 ] - [ -0.0000050300000000, -0.0001987100000000, 0.0001540000000000 ] - [ -0.0001403700000000, -0.0000103500000000, 0.0001454100000000 ] - [ -0.0005984800000000, -0.0084168400000000, -0.0019590900000000 ] - [ 0.1051314300000000, 0.1365083200000000, 0.0469263700000000 ] - [ 0.0007838600000000, 0.0004897100000000, -0.0003482200000000 ] - [ 0.0007754600000000, -0.0000489700000000, 0.0007118600000000 ] - [ -0.0056558600000000, -0.0008749400000000, -0.0011045100000000 ] - [ -0.0009498900000000, -0.0027004900000000, -0.0020570200000000 ] - [ -0.0056720200000000, 0.0024795800000000, -0.0014487100000000 ] - [ 0.0020928000000000, -0.0041417600000000, 0.0035650400000000 ] - [ -0.0003843700000000, 0.0001998300000000, -0.0000456900000000 ] - [ 0.0000854000000000, -0.0003156000000000, 0.0001364200000000 ] - [ 0.0048386500000000, 0.0027559600000000, 0.0039349600000000 ] - [ 0.0009034000000000, -0.0024067400000000, -0.0009911000000000 ] - [ 0.0008555900000000, 0.0010107200000000, 0.0000083100000000 ] - [ -0.0003653300000000, -0.0006946500000000, -0.0008687000000000 ] - [ 0.0000367000000000, 0.0003690500000000, 0.0006015700000000 ] - [ -0.0002086300000000, -0.0005856100000000, -0.0001440200000000 ] - [ -0.0002445900000000, 0.0015512500000000, -0.0004629100000000 ] - [ 0.0006116300000000, -0.0005798800000000, 0.0012558200000000 ] - [ -0.0012634600000000, -0.0031281800000000, 0.0058411800000000 ] - [ 0.0006505600000000, -0.0000128100000000, -0.0013345800000000 ]- atom: 27 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0009400100000000, -0.0053003800000000, 0.0000105800000000 ] - [ -0.0043418500000000, 0.0209165900000000, 0.0127668000000000 ] - [ -0.0023220700000000, -0.0032278500000000, -0.0021870000000000 ] - [ 0.0153539500000000, -0.0090725500000000, 0.0095827800000000 ] - [ -0.0086170000000000, -0.0057813200000000, -0.0166313900000000 ] - [ -0.0009202800000000, -0.0035877000000000, 0.0040309700000000 ] - [ 0.0188262400000000, -0.0175035200000000, 0.0123649300000000 ] - [ -0.0047782000000000, -0.0173595100000000, -0.0148295800000000 ] - [ 0.0000494900000000, 0.0022079500000000, 0.0020782600000000 ] - [ -0.0002674600000000, -0.0015391400000000, -0.0001738000000000 ] - [ -0.0005196600000000, -0.0005698400000000, 0.0003943700000000 ] - [ -0.0003357800000000, -0.0000117800000000, 0.0021456500000000 ] - [ -0.0004220900000000, -0.0001563800000000, -0.0004933700000000 ] - [ -0.0001715000000000, -0.0003097300000000, 0.0004980900000000 ] - [ 0.0001181800000000, -0.0000525600000000, 0.0003143400000000 ] - [ -0.0000401800000000, -0.0000410900000000, -0.0001132400000000 ] - [ 0.0002051700000000, 0.0006050400000000, 0.0003238900000000 ] - [ 0.0003311300000000, -0.0007004600000000, 0.0004675900000000 ] - [ -0.0228201500000000, 0.0081079200000000, 0.0121390700000000 ] - [ 0.0001755300000000, -0.0044092000000000, -0.0036640100000000 ] - [ -0.0001446100000000, -0.0003582500000000, 0.0002192900000000 ] - [ -0.0000202200000000, 0.0005894200000000, -0.0000416800000000 ] - [ -0.0005149700000000, -0.0015022100000000, 0.0005547500000000 ] - [ -0.0016267400000000, 0.0022103900000000, -0.0026814800000000 ] - [ -0.0008610500000000, -0.0030476000000000, -0.0030061500000000 ] - [ 0.0008820900000000, 0.0063067700000000, 0.0031531500000000 ] - [ -0.0405130000000000, 0.5534368200000001, 0.0195043400000000 ] - [ -0.0005431600000000, -0.0168595000000000, 0.0006829600000000 ] - [ -0.0004546000000000, -0.0004762700000000, 0.0006674500000000 ] - [ -0.0007663700000000, 0.0008062100000000, 0.0010421100000000 ] - [ -0.0003097100000000, 0.0000713600000000, 0.0006326700000000 ] - [ -0.0003164600000000, -0.0004625900000000, -0.0010140800000000 ] - [ -0.0017465100000000, 0.0100762700000000, -0.0021096700000000 ] - [ 0.0023319900000000, -0.0045142200000000, 0.0032725800000000 ] - [ -0.0024894400000000, -0.0062581000000000, 0.0027824900000000 ] - [ 0.0063679800000000, 0.0020892400000000, -0.0037608500000000 ] - [ -0.0017117600000000, -0.0051244700000000, -0.0007779600000000 ] - [ -0.0020436200000000, -0.0051696000000000, -0.0055407900000000 ] - [ 0.0003008000000000, -0.0003506100000000, 0.0006072400000000 ] - [ 0.0004166700000000, -0.0000501000000000, 0.0001786400000000 ] - [ 0.0004464000000000, 0.0053230400000000, 0.0002436500000000 ] - [ 0.0012757200000000, -0.0018496700000000, 0.0001953400000000 ] - [ 0.0014397500000000, 0.0001102100000000, -0.0005444200000000 ] - [ -0.0006797300000000, -0.0000957600000000, -0.0005031000000000 ] - [ 0.0000514900000000, -0.0000613300000000, 0.0000215200000000 ] - [ 0.0002124000000000, -0.0002968900000000, 0.0003436600000000 ] - [ 0.0006904700000000, -0.0002513600000000, 0.0003770900000000 ] - [ 0.0001036000000000, -0.0000015100000000, -0.0001403700000000 ] - [ 0.0001481700000000, -0.0005053500000000, -0.0001152900000000 ] - [ 0.0001034100000000, -0.0003015900000000, 0.0003338800000000 ] - [ 0.0001576300000000, -0.0007547000000000, -0.0000682900000000 ] - [ -0.0001134800000000, -0.0001042600000000, 0.0000501400000000 ] - [ 0.0007681500000000, -0.0007991600000000, -0.0003640800000000 ] - [ 0.0011746100000000, 0.0020483000000000, 0.0023635800000000 ] - [ 0.0011850600000000, 0.0005986000000000, -0.0005559900000000 ] - [ -0.0009034200000000, -0.0009411600000000, 0.0010006900000000 ] - [ -0.0014631900000000, 0.0008248900000000, 0.0003499100000000 ] - [ -0.0003077600000000, -0.0011052400000000, -0.0058768000000000 ] - [ 0.0006739100000000, 0.0027087700000000, 0.0012373100000000 ] - [ -0.0010124400000000, 0.0031333100000000, 0.0022018400000000 ] - [ -0.0002193400000000, -0.0001179600000000, -0.0005253500000000 ] - [ -0.0000974300000000, 0.0000662900000000, 0.0001044400000000 ] - [ -0.0216348800000000, -0.1534627500000000, 0.1004960800000000 ] - [ -0.0006012900000000, 0.0092932500000000, -0.0013115400000000 ] - [ 0.0000309900000000, -0.0000072000000000, -0.0001143800000000 ] - [ -0.0000690500000000, -0.0001894600000000, 0.0000032200000000 ] - [ 0.0328708100000000, -0.1050993400000000, -0.1029712300000000 ] - [ -0.0000762500000000, 0.0056495500000000, 0.0016963000000000 ] - [ 0.0009786200000000, 0.0044055400000000, -0.0027644000000000 ] - [ -0.0039052000000000, -0.0042902300000000, 0.0066172500000000 ] - [ 0.0000070900000000, -0.0003908100000000, -0.0002748100000000 ] - [ 0.0001822500000000, 0.0001156200000000, -0.0001538800000000 ] - [ 0.0001340700000000, -0.0000371300000000, -0.0005966300000000 ] - [ 0.0000284700000000, -0.0007288500000000, -0.0013058200000000 ] - [ 0.0004563700000000, 0.0033369400000000, -0.0003595700000000 ] - [ -0.0023022300000000, -0.0048548900000000, -0.0049059800000000 ] - [ -0.0002135500000000, -0.0002440600000000, -0.0000253700000000 ] - [ -0.0004536700000000, 0.0000562100000000, 0.0005104800000000 ] - [ 0.0014148500000000, 0.0029562500000000, 0.0006767300000000 ] - [ 0.0003672700000000, -0.0050826300000000, -0.0013444000000000 ] - [ -0.0007937500000000, 0.0004573800000000, -0.0003778500000000 ] - [ -0.0002935000000000, -0.0001157600000000, 0.0000099700000000 ] - [ 0.0004661600000000, 0.0003163400000000, 0.0003555000000000 ] - [ 0.0001253900000000, -0.0009226800000000, -0.0010054300000000 ] - [ 0.0003108100000000, 0.0029832200000000, 0.0030687000000000 ] - [ 0.0001245800000000, -0.0035053800000000, -0.0033894800000000 ] - [ -0.0013733500000000, 0.0069165800000000, -0.0000505800000000 ] - [ 0.1361418800000000, -0.1367858200000000, 0.0176911700000000 ] - [ 0.0004848300000000, -0.0001421500000000, -0.0003565700000000 ] - [ 0.0003233100000000, -0.0001995800000000, 0.0005435100000000 ] - [ 0.0000117500000000, 0.0014111100000000, -0.0003146000000000 ] - [ 0.0022461400000000, 0.0000217000000000, 0.0038512700000000 ] - [ -0.0011770100000000, -0.0021631400000000, 0.0010173700000000 ] - [ -0.0005635100000000, 0.0019725900000000, -0.0005403700000000 ] - [ 0.0003677600000000, -0.0035587300000000, 0.0034765100000000 ] - [ 0.0003481100000000, 0.0017959500000000, -0.0002735900000000 ] - [ -0.0022603700000000, -0.0052956300000000, 0.0020328800000000 ] - [ 0.0014161400000000, 0.0041851100000000, 0.0000935400000000 ] - [ 0.0001394600000000, 0.0005389200000000, 0.0004571900000000 ] - [ 0.0004501600000000, -0.0013240900000000, -0.0014756400000000 ] - [ 0.0000693700000000, 0.0020291600000000, -0.0016618700000000 ] - [ -0.0012090400000000, -0.0017509700000000, 0.0027416200000000 ] - [ 0.0000183400000000, -0.0004677500000000, -0.0002775900000000 ] - [ 0.0000810200000000, -0.0002957300000000, -0.0003647600000000 ] - [ -0.0000254500000000, -0.0000496600000000, -0.0001742200000000 ] - [ 0.0000577400000000, -0.0005056200000000, -0.0000473700000000 ] - [ -0.0003305300000000, 0.0002205400000000, -0.0002154900000000 ] - [ -0.0001923400000000, 0.0000331800000000, -0.0002088000000000 ] - [ 0.0002433700000000, 0.0084218800000000, 0.0019019800000000 ] - [ -0.1003143100000000, -0.1342355000000000, -0.0452099300000000 ] - [ 0.0000300200000000, -0.0000544400000000, 0.0005185000000000 ] - [ 0.0000388000000000, 0.0004877200000000, -0.0005358900000000 ] - [ 0.0057050900000000, 0.0010603500000000, 0.0009603000000000 ] - [ 0.0010479700000000, 0.0029340800000000, 0.0019192500000000 ] - [ 0.0059802000000000, -0.0022241500000000, 0.0016754000000000 ] - [ -0.0017766400000000, 0.0044537100000000, -0.0033418500000000 ] - [ 0.0004627600000000, -0.0004093600000000, -0.0000945600000000 ] - [ -0.0000051600000000, 0.0001063000000000, -0.0002760200000000 ] - [ -0.0040216000000000, -0.0032020600000000, -0.0037490000000000 ] - [ -0.0000979400000000, 0.0019669600000000, 0.0011547700000000 ] - [ -0.0007299800000000, -0.0008042000000000, -0.0006352900000000 ] - [ 0.0004872400000000, 0.0009047200000000, 0.0002352900000000 ] - [ 0.0002665500000000, -0.0006658900000000, -0.0003847800000000 ] - [ 0.0005132900000000, 0.0002892800000000, 0.0003583900000000 ] - [ 0.0003707100000000, -0.0017716600000000, -0.0001740900000000 ] - [ -0.0004857400000000, 0.0003770400000000, -0.0018758600000000 ] - [ 0.0008500800000000, 0.0034810700000000, -0.0057868600000000 ] - [ -0.0010582600000000, 0.0004041700000000, 0.0013438500000000 ]- atom: 27 displacement: [ -0.0009337289454915, 0.0000000000000000, 0.0099563120811047 ] forces: - [ 0.0001666000000000, 0.0008792600000000, -0.0059561400000000 ] - [ -0.0174696000000000, -0.0092684700000000, -0.0196220800000000 ] - [ 0.0007521300000000, 0.0031989200000000, -0.0072243600000000 ] - [ 0.0032603900000000, -0.0022606500000000, -0.0032267800000000 ] - [ 0.0153901700000000, 0.0169624500000000, 0.0297768700000000 ] - [ 0.0012019700000000, -0.0038940700000000, -0.0030046900000000 ] - [ 0.0189306800000000, -0.0185205500000000, 0.0027970000000000 ] - [ 0.0053293200000000, 0.0078924100000000, -0.0008878300000000 ] - [ -0.0002393300000000, -0.0003692000000000, 0.0049649500000000 ] - [ -0.0001482500000000, -0.0003176300000000, 0.0035513100000000 ] - [ 0.0010430500000000, 0.0016839500000000, 0.0011627300000000 ] - [ 0.0015017800000000, -0.0007145000000000, 0.0012304800000000 ] - [ 0.0005535200000000, 0.0012000300000000, 0.0051817000000000 ] - [ 0.0000947900000000, -0.0008040800000000, 0.0035263700000000 ] - [ -0.0002232300000000, -0.0000160800000000, 0.0031218200000000 ] - [ -0.0001187100000000, 0.0001596700000000, 0.0029882300000000 ] - [ -0.0007936400000000, -0.0001639100000000, 0.0041043700000000 ] - [ -0.0005593800000000, 0.0001417300000000, 0.0030963800000000 ] - [ -0.0259427900000000, -0.0036399400000000, 0.0170345400000000 ] - [ -0.0010113100000000, -0.0002248900000000, -0.0027431900000000 ] - [ -0.0000409300000000, 0.0001384900000000, 0.0030293000000000 ] - [ -0.0001846800000000, 0.0004897000000000, 0.0032817500000000 ] - [ -0.0009695800000000, -0.0005750200000000, 0.0009368500000000 ] - [ -0.0024703800000000, 0.0013325900000000, 0.0010831400000000 ] - [ 0.0006868600000000, 0.0025618800000000, 0.0078690500000000 ] - [ 0.0001739600000000, -0.0045710200000000, 0.0100828600000000 ] - [ 0.0721343800000000, -0.0171185300000000, -0.5392630400000000 ] - [ 0.0000469100000000, -0.0007983900000000, -0.0099450700000000 ] - [ -0.0000522500000000, -0.0006384500000000, 0.0042697900000000 ] - [ 0.0002275200000000, -0.0010455500000000, 0.0049039200000000 ] - [ -0.0004419200000000, -0.0009205700000000, 0.0044718000000000 ] - [ -0.0007684700000000, 0.0006056200000000, 0.0026008200000000 ] - [ 0.0035707400000000, -0.0041780300000000, 0.0036329400000000 ] - [ 0.0000087800000000, 0.0005930400000000, -0.0017250600000000 ] - [ -0.0027904400000000, -0.0055548900000000, 0.0046722200000000 ] - [ -0.0065404400000000, 0.0048869900000000, 0.0107710600000000 ] - [ -0.0036308600000000, -0.0053757300000000, -0.0059652200000000 ] - [ 0.0011578600000000, -0.0006886500000000, -0.0055299800000000 ] - [ -0.0000195200000000, 0.0006347900000000, 0.0062529300000000 ] - [ 0.0002714000000000, 0.0002036600000000, 0.0055170000000000 ] - [ 0.0021876000000000, 0.0013872900000000, 0.0039892100000000 ] - [ 0.0006841000000000, -0.0007302600000000, -0.0000565900000000 ] - [ 0.0027456900000000, 0.0000301500000000, 0.0003610000000000 ] - [ 0.0004152400000000, 0.0001177900000000, 0.0002462800000000 ] - [ -0.0002819900000000, -0.0001172300000000, 0.0004488200000000 ] - [ -0.0004195200000000, -0.0002034500000000, 0.0001079300000000 ] - [ 0.0011145200000000, -0.0001796900000000, 0.0009834600000000 ] - [ 0.0013594200000000, -0.0000057800000000, 0.0013160700000000 ] - [ -0.0001392400000000, -0.0001152100000000, 0.0007563300000000 ] - [ -0.0006229400000000, -0.0012956400000000, 0.0005006400000000 ] - [ 0.0000735800000000, -0.0005430700000000, 0.0003636600000000 ] - [ 0.0000684300000000, -0.0004773500000000, 0.0006107800000000 ] - [ -0.0013444800000000, 0.0020174900000000, 0.0002564000000000 ] - [ -0.0029043700000000, -0.0039083800000000, 0.0023203300000000 ] - [ -0.0016101600000000, 0.0018182100000000, -0.0001083100000000 ] - [ -0.0009548400000000, -0.0014052600000000, -0.0017691700000000 ] - [ 0.0014260700000000, -0.0028244100000000, 0.0015026100000000 ] - [ 0.0032951500000000, 0.0039381700000000, 0.0033774000000000 ] - [ -0.0002815600000000, 0.0033721100000000, 0.0052455400000000 ] - [ -0.0021605300000000, 0.0016834900000000, 0.0045744600000000 ] - [ -0.0000629800000000, 0.0009774900000000, -0.0039190200000000 ] - [ -0.0000491200000000, 0.0007481700000000, -0.0032908000000000 ] - [ -0.0337312800000000, -0.1048567600000000, 0.1502631100000000 ] - [ 0.0003362200000000, -0.0017507400000000, 0.0035358800000000 ] - [ -0.0005837900000000, -0.0006317100000000, -0.0019736100000000 ] - [ -0.0005680100000000, -0.0005483000000000, -0.0019359900000000 ] - [ -0.0617198100000000, 0.1020846000000000, 0.2325251500000000 ] - [ -0.0003085900000000, 0.0024166600000000, 0.0063044300000000 ] - [ 0.0014838100000000, 0.0041390600000000, -0.0031930800000000 ] - [ 0.0015035700000000, -0.0052924600000000, -0.0057823600000000 ] - [ 0.0000680000000000, -0.0005643600000000, -0.0020067400000000 ] - [ 0.0000522200000000, -0.0004890400000000, -0.0016471100000000 ] - [ 0.0001207200000000, -0.0009718200000000, -0.0025598200000000 ] - [ 0.0001055300000000, -0.0006638400000000, -0.0028388900000000 ] - [ 0.0000391500000000, -0.0009264200000000, 0.0009733700000000 ] - [ 0.0000874800000000, 0.0024336100000000, 0.0009175000000000 ] - [ 0.0005135700000000, 0.0001398500000000, -0.0019929100000000 ] - [ 0.0004111700000000, -0.0001980000000000, -0.0013373900000000 ] - [ 0.0015989900000000, 0.0017571800000000, -0.0000289100000000 ] - [ 0.0034772400000000, -0.0031974000000000, -0.0038155100000000 ] - [ -0.0009793000000000, 0.0001186900000000, -0.0015920800000000 ] - [ -0.0011686200000000, -0.0002675000000000, -0.0020251400000000 ] - [ -0.0013383200000000, -0.0004432900000000, -0.0023132700000000 ] - [ -0.0026697600000000, 0.0019960500000000, -0.0032492600000000 ] - [ -0.0002477100000000, -0.0071311800000000, -0.0060695100000000 ] - [ -0.0009879800000000, 0.0050295500000000, -0.0048492600000000 ] - [ 0.0010513100000000, 0.0002339600000000, 0.0045572100000000 ] - [ 0.0018501200000000, -0.0034353000000000, 0.0542253700000000 ] - [ 0.0003834900000000, 0.0001936000000000, -0.0017998000000000 ] - [ 0.0006059200000000, -0.0009224800000000, -0.0018987200000000 ] - [ -0.0000606800000000, 0.0006470800000000, 0.0016191000000000 ] - [ -0.0002696500000000, -0.0010364200000000, 0.0025206900000000 ] - [ 0.0003223700000000, 0.0001276700000000, 0.0014472800000000 ] - [ -0.0002345400000000, 0.0009454200000000, 0.0022399700000000 ] - [ -0.0013993100000000, 0.0020362300000000, -0.0081223800000000 ] - [ -0.0009590600000000, -0.0016681600000000, -0.0018921400000000 ] - [ -0.0009270500000000, -0.0003982200000000, 0.0064597000000000 ] - [ -0.0008053300000000, -0.0007967600000000, 0.0019464500000000 ] - [ 0.0017449200000000, -0.0008219600000000, -0.0034204300000000 ] - [ 0.0027759900000000, 0.0006387700000000, -0.0039973400000000 ] - [ -0.0001339600000000, 0.0016833100000000, -0.0029536300000000 ] - [ 0.0002496600000000, 0.0005396400000000, -0.0039671900000000 ] - [ 0.0007867500000000, -0.0019557600000000, -0.0037770500000000 ] - [ 0.0005829700000000, -0.0013678100000000, -0.0030014900000000 ] - [ 0.0001686500000000, 0.0006875600000000, -0.0022509700000000 ] - [ 0.0001670600000000, 0.0008899200000000, -0.0025554400000000 ] - [ -0.0001499800000000, 0.0006664600000000, -0.0022725500000000 ] - [ -0.0001436200000000, 0.0008773600000000, -0.0023425600000000 ] - [ -0.0008443500000000, 0.0041988000000000, 0.0055599800000000 ] - [ 0.0306912700000000, 0.0360176700000000, 0.0703823900000000 ] - [ 0.0008605200000000, 0.0002617800000000, -0.0019403800000000 ] - [ 0.0009401800000000, 0.0008377200000000, -0.0007648400000000 ] - [ 0.0080293600000000, 0.0035939900000000, 0.0031293900000000 ] - [ 0.0004241600000000, 0.0007701900000000, 0.0019471700000000 ] - [ -0.0094648100000000, -0.0024732800000000, 0.0003778300000000 ] - [ -0.0000038400000000, -0.0005487200000000, 0.0021657000000000 ] - [ -0.0012321000000000, 0.0005527900000000, -0.0022131500000000 ] - [ -0.0008141100000000, 0.0004698000000000, -0.0017166900000000 ] - [ -0.0046701700000000, 0.0001037100000000, -0.0043902200000000 ] - [ -0.0006472400000000, -0.0001511200000000, 0.0000264900000000 ] - [ -0.0010212400000000, 0.0008285200000000, -0.0031565500000000 ] - [ -0.0000204200000000, 0.0005512600000000, -0.0017321800000000 ] - [ 0.0004171600000000, -0.0006170900000000, -0.0020801500000000 ] - [ 0.0003874300000000, -0.0006124000000000, -0.0014563000000000 ] - [ -0.0007256800000000, -0.0001430600000000, -0.0022796600000000 ] - [ -0.0000911100000000, 0.0004219100000000, 0.0002640000000000 ] - [ 0.0005312700000000, 0.0031360100000000, -0.0050439500000000 ] - [ 0.0015280000000000, -0.0033360400000000, -0.0017873800000000 ]- atom: 27 displacement: [ 0.0009337289454915, 0.0000000000000000, -0.0099563120811047 ] forces: - [ -0.0002868600000000, -0.0007578600000000, 0.0056182500000000 ] - [ 0.0173361000000000, 0.0093771300000000, 0.0193677200000000 ] - [ -0.0006610000000000, -0.0033052000000000, 0.0070191700000000 ] - [ -0.0032211300000000, 0.0021497400000000, 0.0030333800000000 ] - [ -0.0153864500000000, -0.0171539000000000, -0.0298110300000000 ] - [ -0.0011787800000000, 0.0039411000000000, 0.0031899900000000 ] - [ -0.0187918300000000, 0.0185466100000000, -0.0025069000000000 ] - [ -0.0051735400000000, -0.0076847800000000, 0.0011424200000000 ] - [ 0.0002685500000000, 0.0003404300000000, -0.0047964100000000 ] - [ 0.0001811300000000, 0.0003166800000000, -0.0033814700000000 ] - [ -0.0010789200000000, -0.0016996900000000, -0.0013139200000000 ] - [ -0.0015433200000000, 0.0006983800000000, -0.0013793000000000 ] - [ -0.0006352100000000, -0.0010960800000000, -0.0049636300000000 ] - [ -0.0001728100000000, 0.0009232700000000, -0.0033019000000000 ] - [ 0.0001100400000000, -0.0001120300000000, -0.0034564000000000 ] - [ 0.0000080600000000, -0.0002793200000000, -0.0033195200000000 ] - [ 0.0009110100000000, 0.0000417700000000, -0.0037629000000000 ] - [ 0.0006740600000000, -0.0002565100000000, -0.0027510300000000 ] - [ 0.0256615900000000, 0.0033973500000000, -0.0167574100000000 ] - [ 0.0009298200000000, 0.0001190400000000, 0.0029305000000000 ] - [ 0.0001182800000000, -0.0000186300000000, -0.0032470100000000 ] - [ 0.0002596400000000, -0.0003705200000000, -0.0034971500000000 ] - [ 0.0009347500000000, 0.0005882700000000, -0.0011109300000000 ] - [ 0.0024172300000000, -0.0013128400000000, -0.0012524000000000 ] - [ -0.0005647800000000, -0.0027737500000000, -0.0076197000000000 ] - [ -0.0000720300000000, 0.0043363300000000, -0.0099169100000000 ] - [ -0.0763652600000000, 0.0346480500000000, 0.5474724300000000 ] - [ 0.0006956900000000, 0.0009068300000000, 0.0097821000000000 ] - [ -0.0006969400000000, 0.0005595500000000, -0.0041002600000000 ] - [ -0.0009772400000000, 0.0009529300000000, -0.0047374300000000 ] - [ 0.0003278100000000, 0.0006962200000000, -0.0047019600000000 ] - [ 0.0006504400000000, -0.0008094300000000, -0.0028408800000000 ] - [ -0.0037079600000000, 0.0044062500000000, -0.0038527700000000 ] - [ -0.0001206900000000, -0.0003768400000000, 0.0015042400000000 ] - [ 0.0029186700000000, 0.0057491000000000, -0.0044763200000000 ] - [ 0.0065005200000000, -0.0046328700000000, -0.0104270300000000 ] - [ 0.0028750600000000, 0.0054652500000000, 0.0060958900000000 ] - [ -0.0019182800000000, 0.0007616000000000, 0.0056322100000000 ] - [ 0.0007699800000000, -0.0007297800000000, -0.0064042400000000 ] - [ 0.0004771800000000, -0.0002840800000000, -0.0056639400000000 ] - [ -0.0021377600000000, -0.0005113800000000, -0.0038434900000000 ] - [ -0.0006740200000000, 0.0016304500000000, 0.0001641900000000 ] - [ -0.0031878000000000, 0.0002768900000000, -0.0004556300000000 ] - [ -0.0008752200000000, 0.0001856000000000, -0.0003422300000000 ] - [ -0.0001794200000000, -0.0001871800000000, -0.0005396200000000 ] - [ -0.0000404600000000, -0.0001003900000000, -0.0002000000000000 ] - [ -0.0006530300000000, -0.0001249100000000, -0.0008901300000000 ] - [ -0.0008907500000000, -0.0002982800000000, -0.0012149000000000 ] - [ 0.0001541700000000, -0.0007789800000000, -0.0006425000000000 ] - [ 0.0006416000000000, 0.0004059500000000, -0.0003893900000000 ] - [ -0.0000886900000000, -0.0003505100000000, -0.0004747700000000 ] - [ -0.0000812500000000, -0.0004198600000000, -0.0007206600000000 ] - [ 0.0018068500000000, -0.0017039200000000, -0.0001531800000000 ] - [ 0.0033932800000000, 0.0042328500000000, -0.0022374100000000 ] - [ 0.0015848800000000, -0.0009195100000000, 0.0000015200000000 ] - [ 0.0009432000000000, 0.0023177500000000, 0.0016665000000000 ] - [ -0.0022279100000000, 0.0023686900000000, -0.0016691300000000 ] - [ -0.0041129900000000, -0.0043805100000000, -0.0035851400000000 ] - [ 0.0001317800000000, -0.0026911100000000, -0.0048873700000000 ] - [ 0.0019953200000000, -0.0009837000000000, -0.0042027100000000 ] - [ -0.0001355100000000, -0.0012926200000000, 0.0043557800000000 ] - [ -0.0001382000000000, -0.0010689400000000, 0.0037267100000000 ] - [ 0.0323690900000000, 0.0985673700000000, -0.1454490700000000 ] - [ -0.0001880900000000, 0.0024244100000000, -0.0038601200000000 ] - [ 0.0004942200000000, 0.0004075400000000, 0.0021132900000000 ] - [ 0.0004723600000000, 0.0003184400000000, 0.0020761900000000 ] - [ 0.0669561300000000, -0.1101424600000000, -0.2448797600000000 ] - [ 0.0001168800000000, -0.0021056400000000, -0.0058813600000000 ] - [ -0.0007018900000000, -0.0039382700000000, 0.0025295400000000 ] - [ -0.0006873100000000, 0.0054302600000000, 0.0049773300000000 ] - [ 0.0002234100000000, 0.0005562900000000, 0.0020497100000000 ] - [ 0.0002360300000000, 0.0004596400000000, 0.0016774900000000 ] - [ 0.0000798900000000, 0.0006512700000000, 0.0021107900000000 ] - [ 0.0000856300000000, 0.0003470500000000, 0.0023970300000000 ] - [ 0.0003682600000000, 0.0013283300000000, -0.0009922700000000 ] - [ 0.0003187900000000, -0.0020339900000000, -0.0009542300000000 ] - [ -0.0013003300000000, -0.0003446600000000, 0.0026849100000000 ] - [ -0.0011955700000000, -0.0000197500000000, 0.0020342600000000 ] - [ -0.0019099300000000, -0.0014740500000000, -0.0001938100000000 ] - [ -0.0037502400000000, 0.0034849900000000, 0.0035823900000000 ] - [ 0.0001711900000000, 0.0003261500000000, 0.0014287800000000 ] - [ 0.0003551500000000, 0.0007147100000000, 0.0018630400000000 ] - [ 0.0010282300000000, 0.0001635600000000, 0.0020750500000000 ] - [ 0.0023755600000000, -0.0022850100000000, 0.0030326100000000 ] - [ 0.0001387200000000, 0.0073308200000000, 0.0067589600000000 ] - [ 0.0008902700000000, -0.0048318600000000, 0.0056232000000000 ] - [ -0.0011461500000000, -0.0000238200000000, -0.0044139800000000 ] - [ -0.0001522400000000, 0.0024934200000000, -0.0538759400000000 ] - [ 0.0000272300000000, -0.0005894400000000, 0.0017929800000000 ] - [ -0.0001921700000000, 0.0005119600000000, 0.0018883100000000 ] - [ 0.0002453700000000, -0.0003407600000000, -0.0020327300000000 ] - [ 0.0004560700000000, 0.0013397500000000, -0.0029202200000000 ] - [ -0.0010852200000000, 0.0000839600000000, -0.0007662700000000 ] - [ -0.0005459400000000, -0.0007388300000000, -0.0015556100000000 ] - [ 0.0009920500000000, -0.0024284000000000, 0.0081389200000000 ] - [ 0.0005470300000000, 0.0012533800000000, 0.0018934900000000 ] - [ 0.0012191600000000, 0.0003839600000000, -0.0063894300000000 ] - [ 0.0011097100000000, 0.0008260700000000, -0.0018937500000000 ] - [ -0.0009645100000000, 0.0006123000000000, 0.0027212300000000 ] - [ -0.0019960800000000, -0.0008479500000000, 0.0033133400000000 ] - [ 0.0000288200000000, -0.0019086200000000, 0.0036813800000000 ] - [ -0.0003355800000000, -0.0007560100000000, 0.0046522600000000 ] - [ -0.0006342400000000, 0.0012905100000000, 0.0034292200000000 ] - [ -0.0004332400000000, 0.0006803400000000, 0.0026405300000000 ] - [ -0.0003159000000000, -0.0013704000000000, 0.0026027100000000 ] - [ -0.0003223800000000, -0.0015576800000000, 0.0028964900000000 ] - [ -0.0001460600000000, -0.0006726000000000, 0.0022205100000000 ] - [ -0.0001413500000000, -0.0008926100000000, 0.0022967900000000 ] - [ 0.0005611800000000, -0.0042028900000000, -0.0056013900000000 ] - [ -0.0314698300000000, -0.0365080600000000, -0.0712236300000000 ] - [ -0.0000524000000000, 0.0001866500000000, 0.0020928100000000 ] - [ -0.0001339300000000, -0.0003998900000000, 0.0009270100000000 ] - [ -0.0079335700000000, -0.0033630100000000, -0.0032608200000000 ] - [ -0.0003239400000000, -0.0005370400000000, -0.0020755800000000 ] - [ 0.0098048900000000, 0.0027528600000000, -0.0001481400000000 ] - [ 0.0003183500000000, 0.0008457000000000, -0.0019553000000000 ] - [ 0.0013228000000000, -0.0007770500000000, 0.0020666500000000 ] - [ 0.0009042000000000, -0.0006951900000000, 0.0015677600000000 ] - [ 0.0054460000000000, -0.0005258000000000, 0.0045472200000000 ] - [ 0.0014508400000000, -0.0003104200000000, 0.0001352500000000 ] - [ 0.0011227800000000, -0.0005969100000000, 0.0024449800000000 ] - [ 0.0001255500000000, -0.0003301000000000, 0.0010290400000000 ] - [ -0.0001027000000000, 0.0003379000000000, 0.0023082300000000 ] - [ -0.0000792300000000, 0.0003286700000000, 0.0016891600000000 ] - [ 0.0008315800000000, -0.0000880600000000, 0.0015528000000000 ] - [ 0.0001943500000000, -0.0006551600000000, -0.0009803900000000 ] - [ -0.0009401700000000, -0.0027137600000000, 0.0050698000000000 ] - [ -0.0019082600000000, 0.0036937400000000, 0.0017863500000000 ]- atom: 41 displacement: [ 0.0099999541101204, 0.0000000000000000, -0.0000302951396548 ] forces: - [ -0.0001733200000000, -0.0002088200000000, -0.0003369300000000 ] - [ -0.0003894100000000, 0.0006944600000000, -0.0009749800000000 ] - [ 0.0003833300000000, -0.0000726300000000, -0.0002219500000000 ] - [ 0.0004736400000000, -0.0001238500000000, 0.0000417800000000 ] - [ 0.0001078000000000, 0.0000877300000000, 0.0002001500000000 ] - [ 0.0000499000000000, -0.0000196600000000, 0.0001343500000000 ] - [ -0.0033452000000000, -0.0023490800000000, -0.0054983000000000 ] - [ -0.0038063100000000, -0.0012314800000000, 0.0026242100000000 ] - [ 0.0006942700000000, 0.0016056000000000, -0.0010615300000000 ] - [ 0.0000666600000000, -0.0012110200000000, -0.0010907500000000 ] - [ 0.0000029100000000, -0.0000204300000000, -0.0001179900000000 ] - [ 0.0000070200000000, 0.0000072600000000, -0.0001057100000000 ] - [ 0.0000060300000000, 0.0000744500000000, 0.0001046000000000 ] - [ 0.0000353400000000, 0.0000305600000000, 0.0000392200000000 ] - [ -0.0002504400000000, -0.0001404500000000, 0.0003055400000000 ] - [ -0.0002107500000000, 0.0000449400000000, -0.0001303700000000 ] - [ -0.0000110500000000, 0.0000265100000000, 0.0001228500000000 ] - [ 0.0000006000000000, -0.0001158700000000, 0.0001259900000000 ] - [ 0.0023809400000000, 0.0019041500000000, 0.0014459600000000 ] - [ 0.0008697400000000, -0.0014322200000000, 0.0010990600000000 ] - [ 0.0002101100000000, -0.0002195000000000, 0.0000382900000000 ] - [ 0.0003866700000000, 0.0002473700000000, -0.0001755900000000 ] - [ 0.0006286000000000, -0.0006324200000000, 0.0002165100000000 ] - [ 0.0034479700000000, 0.0009867400000000, 0.0001690900000000 ] - [ 0.0001070500000000, -0.0001347800000000, 0.0001089000000000 ] - [ 0.0001202000000000, -0.0000700600000000, 0.0001321800000000 ] - [ -0.0006517900000000, -0.0003823900000000, 0.0019801300000000 ] - [ -0.0004275900000000, -0.0011977600000000, 0.0005193000000000 ] - [ -0.0004077000000000, -0.0002226600000000, 0.0001597900000000 ] - [ -0.0003371300000000, 0.0000425900000000, 0.0001583600000000 ] - [ 0.0014646700000000, -0.0004005500000000, 0.0018895200000000 ] - [ 0.0004007400000000, -0.0001153500000000, -0.0000105000000000 ] - [ 0.0002260400000000, 0.0001791100000000, -0.0002625400000000 ] - [ 0.0000302100000000, 0.0000049400000000, -0.0001535400000000 ] - [ -0.0029200900000000, 0.0015913200000000, 0.0016205700000000 ] - [ 0.0164258500000000, -0.0035068000000000, -0.0098356900000000 ] - [ 0.0020739000000000, -0.0008426500000000, -0.0006216700000000 ] - [ 0.0003373000000000, 0.0012529800000000, -0.0014693100000000 ] - [ 0.0004398600000000, 0.0000775900000000, -0.0002264100000000 ] - [ 0.0003674700000000, 0.0000358300000000, -0.0007157800000000 ] - [ -0.0932072300000000, 0.1095641600000000, -0.0314538800000000 ] - [ 0.0003357200000000, -0.0002574000000000, 0.0001511100000000 ] - [ 0.0126488300000000, -0.0315711400000000, 0.0058302900000000 ] - [ -0.0005695400000000, 0.0003480300000000, -0.0000845700000000 ] - [ -0.0002822600000000, -0.0001440800000000, -0.0000723400000000 ] - [ -0.0002807000000000, -0.0001489700000000, -0.0000658800000000 ] - [ -0.0000209200000000, -0.0003459200000000, 0.0001875300000000 ] - [ -0.0010707500000000, -0.0001019900000000, -0.0005740900000000 ] - [ 0.0000076400000000, -0.0004257300000000, 0.0000545000000000 ] - [ 0.0000063100000000, -0.0004242000000000, 0.0000484700000000 ] - [ 0.0000993900000000, -0.0006252000000000, -0.0000811300000000 ] - [ -0.0001580400000000, -0.0001387700000000, 0.0004206500000000 ] - [ 0.0001925000000000, 0.0001437600000000, 0.0000301700000000 ] - [ 0.0002259700000000, 0.0001319800000000, 0.0000663600000000 ] - [ -0.0000385700000000, 0.0004003600000000, -0.0001456700000000 ] - [ -0.0000386500000000, 0.0004017800000000, -0.0000747600000000 ] - [ -0.0003627500000000, -0.0001506400000000, 0.0000054600000000 ] - [ -0.0003519600000000, -0.0001592000000000, -0.0001196800000000 ] - [ -0.0005476400000000, 0.0008175400000000, 0.0006550000000000 ] - [ -0.0003637600000000, 0.0001867100000000, 0.0005281800000000 ] - [ 0.0000229200000000, -0.0004281700000000, 0.0004550200000000 ] - [ 0.0000004500000000, -0.0001412100000000, 0.0007729300000000 ] - [ 0.0013420800000000, -0.0007221300000000, -0.0012153800000000 ] - [ 0.0001493800000000, 0.0016939800000000, -0.0011867000000000 ] - [ -0.0001096600000000, -0.0001075600000000, 0.0000518900000000 ] - [ -0.0001221500000000, -0.0001022600000000, 0.0002495300000000 ] - [ 0.0001836000000000, 0.0000957500000000, -0.0003030000000000 ] - [ 0.0000803800000000, 0.0003645700000000, 0.0001144400000000 ] - [ 0.0031430300000000, 0.0023272100000000, -0.0011234400000000 ] - [ -0.0048832900000000, 0.0106893600000000, 0.0007271300000000 ] - [ 0.0002144900000000, -0.0000650900000000, -0.0000720500000000 ] - [ 0.0002324100000000, 0.0000797700000000, 0.0000370400000000 ] - [ 0.0001343700000000, -0.0001307700000000, -0.0002280700000000 ] - [ 0.0001175700000000, -0.0001945400000000, -0.0002442700000000 ] - [ 0.0001703300000000, 0.0002383400000000, 0.0000396400000000 ] - [ 0.0001042600000000, 0.0001090100000000, -0.0000025000000000 ] - [ -0.0006555000000000, -0.0000886800000000, -0.0003350300000000 ] - [ -0.0005198200000000, -0.0000104900000000, 0.0003431000000000 ] - [ 0.0002702100000000, 0.0003637400000000, -0.0002667200000000 ] - [ -0.0040957100000000, -0.0006935200000000, -0.0000223400000000 ] - [ -0.0003996400000000, 0.0005068500000000, -0.0003915900000000 ] - [ 0.0004046900000000, -0.0003024300000000, -0.0004757200000000 ] - [ -0.0001775100000000, -0.0001408000000000, -0.0001017000000000 ] - [ -0.0001902100000000, -0.0001567800000000, -0.0000919800000000 ] - [ -0.0000378400000000, 0.0000990900000000, 0.0003231100000000 ] - [ -0.0000545600000000, 0.0001241900000000, 0.0002973200000000 ] - [ -0.0001732400000000, 0.0004173100000000, -0.0001165000000000 ] - [ -0.0000559600000000, 0.0000352600000000, -0.0004209800000000 ] - [ -0.0001523700000000, 0.0002514500000000, -0.0004456600000000 ] - [ -0.0002342200000000, -0.0002440400000000, -0.0000262400000000 ] - [ -0.0009900200000000, 0.0005302000000000, -0.0000214400000000 ] - [ -0.0009418400000000, -0.0013229900000000, 0.0008098300000000 ] - [ -0.0005545700000000, 0.0000859000000000, 0.0006233800000000 ] - [ -0.0003930600000000, 0.0001527300000000, 0.0003747500000000 ] - [ -0.0002297300000000, -0.0002070200000000, -0.0000187000000000 ] - [ -0.0002159300000000, -0.0001618300000000, 0.0000133200000000 ] - [ -0.0012631800000000, 0.0004360700000000, 0.0014417400000000 ] - [ 0.0004478300000000, -0.0002507800000000, 0.0002567700000000 ] - [ 0.0003444700000000, -0.0000874000000000, -0.0003002300000000 ] - [ 0.0003478500000000, -0.0001190200000000, -0.0002986600000000 ] - [ 0.0004532800000000, 0.0001374700000000, -0.0000832900000000 ] - [ -0.0014082100000000, -0.0008300100000000, 0.0037010300000000 ] - [ 0.0000612000000000, -0.0003880200000000, -0.0001617100000000 ] - [ 0.0000371500000000, -0.0002820000000000, -0.0000038300000000 ] - [ -0.0001074500000000, -0.0002193300000000, 0.0000641900000000 ] - [ -0.0001156700000000, -0.0004192600000000, 0.0001757300000000 ] - [ -0.0000754100000000, -0.0000333400000000, -0.0000185900000000 ] - [ -0.0000071200000000, -0.0001023300000000, 0.0000732800000000 ] - [ 0.0003383800000000, 0.0005246200000000, 0.0001837600000000 ] - [ 0.0012662100000000, -0.0007255200000000, -0.0005393500000000 ] - [ 0.0004553000000000, 0.0001790600000000, 0.0000979300000000 ] - [ 0.0004542700000000, 0.0001886800000000, 0.0001132100000000 ] - [ -0.0012288000000000, -0.0003268600000000, -0.0002110900000000 ] - [ -0.0009108700000000, -0.0003126500000000, -0.0000552700000000 ] - [ -0.0000217900000000, 0.0001202900000000, 0.0001145200000000 ] - [ 0.0000571900000000, 0.0001937000000000, 0.0000755200000000 ] - [ 0.0000037100000000, -0.0001209000000000, -0.0000913500000000 ] - [ -0.0000182300000000, -0.0000391300000000, -0.0000778400000000 ] - [ 0.0792038200000000, -0.0860129000000000, 0.0315701800000000 ] - [ 0.0011063500000000, 0.0008766700000000, 0.0003634800000000 ] - [ -0.0012011900000000, 0.0009170600000000, -0.0013095800000000 ] - [ 0.0000412500000000, 0.0003096300000000, -0.0004393900000000 ] - [ -0.0009162300000000, -0.0005774000000000, -0.0002771200000000 ] - [ -0.0002536200000000, 0.0000528700000000, 0.0002652100000000 ] - [ 0.0000066900000000, -0.0000945900000000, -0.0002420600000000 ] - [ 0.0000487800000000, -0.0000882400000000, -0.0002946400000000 ] - [ -0.0000007100000000, -0.0015114000000000, 0.0000995400000000 ] - [ -0.0035661900000000, 0.0039157800000000, 0.0021529400000000 ]- atom: 41 displacement: [ -0.0099999541101204, 0.0000000000000000, 0.0000302951396548 ] forces: - [ 0.0000569500000000, 0.0003288100000000, 0.0000054100000000 ] - [ 0.0002717400000000, -0.0005933500000000, 0.0006461300000000 ] - [ -0.0003093200000000, -0.0000396100000000, 0.0000126800000000 ] - [ -0.0003953400000000, 0.0000086900000000, -0.0002574500000000 ] - [ -0.0000713900000000, -0.0000756900000000, -0.0000337000000000 ] - [ -0.0000118100000000, 0.0000312900000000, 0.0000319500000000 ] - [ 0.0035127700000000, 0.0025421700000000, 0.0059120500000000 ] - [ 0.0039547500000000, 0.0013594000000000, -0.0023259600000000 ] - [ -0.0006521800000000, -0.0016268500000000, 0.0012386600000000 ] - [ -0.0000292100000000, 0.0012149700000000, 0.0012720200000000 ] - [ -0.0000409500000000, 0.0000097700000000, -0.0000506200000000 ] - [ -0.0000447100000000, -0.0000204100000000, -0.0000633300000000 ] - [ -0.0000837700000000, 0.0000402000000000, 0.0001041800000000 ] - [ -0.0001116700000000, 0.0000842600000000, 0.0001714400000000 ] - [ 0.0001347900000000, 0.0000203500000000, -0.0006431500000000 ] - [ 0.0000949600000000, -0.0001684600000000, -0.0001987400000000 ] - [ 0.0001261900000000, -0.0001410600000000, 0.0002066100000000 ] - [ 0.0001171800000000, 0.0000036000000000, 0.0002024000000000 ] - [ -0.0024834800000000, -0.0020522500000000, -0.0012569900000000 ] - [ -0.0009535700000000, 0.0013266800000000, -0.0008957600000000 ] - [ -0.0001329200000000, 0.0003457100000000, -0.0002492800000000 ] - [ -0.0003121200000000, -0.0001276000000000, -0.0000304300000000 ] - [ -0.0006786000000000, 0.0006531700000000, -0.0003938500000000 ] - [ -0.0034851500000000, -0.0009810700000000, -0.0003232700000000 ] - [ 0.0000181600000000, -0.0000732700000000, 0.0001114600000000 ] - [ 0.0000041300000000, -0.0001409600000000, 0.0000938500000000 ] - [ 0.0014244100000000, 0.0004627500000000, -0.0021349900000000 ] - [ 0.0011978800000000, 0.0013072000000000, -0.0006827600000000 ] - [ -0.0003542100000000, 0.0001409900000000, -0.0000039200000000 ] - [ -0.0004227200000000, -0.0001397400000000, -0.0000067800000000 ] - [ -0.0016163500000000, 0.0001787000000000, -0.0021143700000000 ] - [ -0.0005303700000000, -0.0000864400000000, -0.0002156200000000 ] - [ -0.0003534400000000, 0.0000301000000000, 0.0000391700000000 ] - [ -0.0001593300000000, 0.0002070600000000, -0.0000769500000000 ] - [ 0.0030661500000000, -0.0013936800000000, -0.0014057800000000 ] - [ -0.0165109600000000, 0.0037925700000000, 0.0102049700000000 ] - [ -0.0028636400000000, 0.0009246300000000, 0.0007999900000000 ] - [ -0.0010933800000000, -0.0011582600000000, 0.0015928200000000 ] - [ 0.0003239900000000, -0.0001695400000000, 0.0000693800000000 ] - [ 0.0003936100000000, -0.0001239600000000, 0.0005695200000000 ] - [ 0.0944246700000000, -0.1059897400000000, 0.0307931100000000 ] - [ -0.0003229400000000, 0.0011486800000000, -0.0000409700000000 ] - [ -0.0127948100000000, 0.0312410100000000, -0.0055748900000000 ] - [ 0.0000961100000000, -0.0000485600000000, -0.0000131500000000 ] - [ -0.0001979200000000, -0.0001552800000000, -0.0000274000000000 ] - [ -0.0001997300000000, -0.0001500700000000, -0.0000348600000000 ] - [ 0.0005032500000000, 0.0000489500000000, -0.0000890900000000 ] - [ 0.0015654100000000, -0.0002034200000000, 0.0006710000000000 ] - [ 0.0000106400000000, -0.0004526300000000, 0.0000572600000000 ] - [ 0.0000106300000000, -0.0004565100000000, 0.0000629200000000 ] - [ -0.0001195300000000, -0.0002516700000000, -0.0000301700000000 ] - [ 0.0001385700000000, -0.0007452200000000, -0.0005394600000000 ] - [ 0.0002860000000000, 0.0001561300000000, 0.0000690400000000 ] - [ 0.0002508700000000, 0.0001673800000000, 0.0000323500000000 ] - [ 0.0000215100000000, 0.0004812000000000, 0.0000346600000000 ] - [ 0.0000216000000000, 0.0004800300000000, -0.0000374300000000 ] - [ -0.0004482200000000, -0.0002925700000000, -0.0001773300000000 ] - [ -0.0004569800000000, -0.0002845300000000, -0.0000496600000000 ] - [ 0.0004092200000000, -0.0001305700000000, -0.0003014600000000 ] - [ 0.0002187600000000, 0.0005132800000000, -0.0001554300000000 ] - [ -0.0002280800000000, 0.0001116300000000, -0.0000203900000000 ] - [ -0.0001995400000000, -0.0001715400000000, -0.0003482700000000 ] - [ -0.0012240200000000, 0.0014250300000000, 0.0008499400000000 ] - [ -0.0000057400000000, -0.0010270400000000, 0.0008418600000000 ] - [ 0.0000078700000000, -0.0001222700000000, 0.0000890200000000 ] - [ 0.0000162700000000, -0.0001279400000000, -0.0001077700000000 ] - [ -0.0003814400000000, 0.0002174600000000, 0.0007366400000000 ] - [ -0.0002800900000000, -0.0000553800000000, 0.0003148100000000 ] - [ -0.0023826800000000, -0.0021293900000000, 0.0004352900000000 ] - [ 0.0056640000000000, -0.0107472400000000, -0.0014229800000000 ] - [ 0.0000880300000000, 0.0000634600000000, 0.0001201000000000 ] - [ 0.0000600800000000, -0.0000938700000000, 0.0000049400000000 ] - [ 0.0000717000000000, -0.0001813000000000, -0.0002026200000000 ] - [ 0.0000786800000000, -0.0001147900000000, -0.0001789700000000 ] - [ 0.0002464800000000, 0.0001655700000000, -0.0000579200000000 ] - [ 0.0003129200000000, 0.0002969100000000, -0.0000144400000000 ] - [ -0.0001178000000000, -0.0001138000000000, 0.0010367300000000 ] - [ -0.0002549700000000, -0.0001974500000000, 0.0003506800000000 ] - [ -0.0006020200000000, -0.0000814500000000, 0.0000345500000000 ] - [ 0.0037947800000000, 0.0009797500000000, -0.0002131500000000 ] - [ -0.0004104000000000, -0.0000690400000000, 0.0002261100000000 ] - [ -0.0012202600000000, 0.0007515500000000, 0.0003125700000000 ] - [ -0.0001479000000000, -0.0001471500000000, -0.0001278500000000 ] - [ -0.0001382400000000, -0.0001308800000000, -0.0001362100000000 ] - [ -0.0000762400000000, 0.0001334300000000, 0.0004058300000000 ] - [ -0.0000608600000000, 0.0001097100000000, 0.0004315600000000 ] - [ 0.0000735600000000, -0.0001946800000000, 0.0002630900000000 ] - [ -0.0000491600000000, 0.0001995200000000, 0.0005704300000000 ] - [ 0.0005758200000000, -0.0006544100000000, 0.0004292800000000 ] - [ 0.0006557100000000, -0.0001678900000000, 0.0000035400000000 ] - [ 0.0012185900000000, -0.0002331100000000, -0.0004244600000000 ] - [ 0.0011258100000000, 0.0016159500000000, -0.0012139400000000 ] - [ -0.0002211500000000, 0.0001220300000000, 0.0000685300000000 ] - [ -0.0003842300000000, 0.0000509300000000, 0.0003183400000000 ] - [ -0.0001886700000000, -0.0001977000000000, 0.0000350000000000 ] - [ -0.0002020000000000, -0.0002446300000000, 0.0000036300000000 ] - [ 0.0015838500000000, -0.0004248000000000, -0.0014176800000000 ] - [ -0.0001485900000000, 0.0002487600000000, -0.0002055400000000 ] - [ 0.0004269500000000, -0.0001169100000000, -0.0003897600000000 ] - [ 0.0004328500000000, -0.0000847700000000, -0.0003983800000000 ] - [ -0.0005724600000000, -0.0003705600000000, 0.0008167400000000 ] - [ 0.0012988600000000, 0.0006095400000000, -0.0030119600000000 ] - [ 0.0000799600000000, -0.0002870900000000, -0.0001909500000000 ] - [ 0.0001058300000000, -0.0004088900000000, -0.0003613300000000 ] - [ -0.0000343900000000, -0.0004724300000000, 0.0003002000000000 ] - [ -0.0000285300000000, -0.0002587400000000, 0.0001784900000000 ] - [ -0.0002242400000000, 0.0000328600000000, -0.0000339800000000 ] - [ -0.0002892500000000, 0.0000995800000000, -0.0001221800000000 ] - [ -0.0006446500000000, -0.0005290900000000, -0.0002340000000000 ] - [ -0.0015740800000000, 0.0007425300000000, 0.0004952000000000 ] - [ 0.0003572400000000, 0.0002589200000000, 0.0000732900000000 ] - [ 0.0003571300000000, 0.0002506200000000, 0.0000611800000000 ] - [ 0.0013498300000000, 0.0005671900000000, 0.0000660600000000 ] - [ 0.0010144400000000, 0.0005369900000000, -0.0000864200000000 ] - [ 0.0003523400000000, 0.0001649300000000, 0.0001198400000000 ] - [ 0.0002751000000000, 0.0000894900000000, 0.0001602100000000 ] - [ 0.0000986900000000, -0.0001087600000000, -0.0000528700000000 ] - [ 0.0001183500000000, -0.0001872800000000, -0.0000684600000000 ] - [ -0.0798320200000000, 0.0836512500000000, -0.0310837000000000 ] - [ -0.0003049800000000, -0.0013383500000000, -0.0001993100000000 ] - [ 0.0013314900000000, -0.0006531700000000, 0.0005721400000000 ] - [ 0.0000728900000000, -0.0000838000000000, -0.0002833100000000 ] - [ 0.0012521500000000, 0.0002947000000000, 0.0005043900000000 ] - [ 0.0005808800000000, -0.0003411100000000, -0.0000361600000000 ] - [ 0.0001076600000000, -0.0001395200000000, -0.0004896700000000 ] - [ 0.0000667500000000, -0.0001450700000000, -0.0004244700000000 ] - [ -0.0004209300000000, 0.0019289500000000, -0.0000848600000000 ] - [ 0.0031819000000000, -0.0035426400000000, -0.0021562400000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000653200000000, 0.0008793800000000, -0.0001644000000000 ] - [ 0.0002822800000000, -0.0013333000000000, 0.0002799900000000 ] - [ -0.0003498800000000, 0.0001546500000000, 0.0001423600000000 ] - [ 0.0000343400000000, -0.0001776300000000, -0.0004642200000000 ] - [ -0.0000043700000000, -0.0000055300000000, 0.0001693900000000 ] - [ -0.0000180200000000, 0.0000195100000000, -0.0000567600000000 ] - [ 0.0013223800000000, 0.0088584700000000, 0.0070305800000000 ] - [ 0.0034397300000000, 0.0053601500000000, -0.0055424900000000 ] - [ 0.0002067500000000, -0.0023326600000000, -0.0003411400000000 ] - [ 0.0000551600000000, 0.0018435800000000, 0.0018193600000000 ] - [ -0.0000274700000000, 0.0000462100000000, -0.0000565700000000 ] - [ -0.0000291400000000, -0.0000586100000000, -0.0000847900000000 ] - [ -0.0000435100000000, 0.0000340800000000, 0.0000632200000000 ] - [ -0.0001254900000000, 0.0000942900000000, 0.0001968300000000 ] - [ 0.0001079700000000, 0.0001619500000000, -0.0008847500000000 ] - [ 0.0001620400000000, 0.0000038800000000, 0.0002142800000000 ] - [ 0.0001053800000000, -0.0002602800000000, 0.0002104700000000 ] - [ 0.0001042700000000, 0.0001104300000000, 0.0001813600000000 ] - [ 0.0009526900000000, -0.0029919100000000, -0.0006695300000000 ] - [ -0.0011007500000000, 0.0022563900000000, -0.0010027300000000 ] - [ -0.0001220600000000, 0.0006794000000000, -0.0003339200000000 ] - [ -0.0002243300000000, -0.0005775600000000, 0.0000053900000000 ] - [ -0.0007192600000000, 0.0015093800000000, -0.0005624800000000 ] - [ -0.0020258700000000, -0.0021404900000000, 0.0009755200000000 ] - [ 0.0000397800000000, 0.0000194700000000, 0.0001231900000000 ] - [ -0.0000118800000000, -0.0002499800000000, 0.0000859900000000 ] - [ -0.0010183400000000, -0.0048893300000000, 0.0007643500000000 ] - [ 0.0013560000000000, 0.0023379300000000, -0.0011676300000000 ] - [ -0.0003184900000000, 0.0002955500000000, -0.0000287400000000 ] - [ -0.0004380600000000, -0.0003644600000000, 0.0000259300000000 ] - [ -0.0018321600000000, 0.0008444300000000, -0.0036884700000000 ] - [ -0.0003646100000000, 0.0002511900000000, 0.0001941900000000 ] - [ -0.0002883100000000, -0.0001616600000000, 0.0001225300000000 ] - [ -0.0000413000000000, 0.0003642300000000, -0.0002487000000000 ] - [ 0.0020792000000000, 0.0026810700000000, -0.0008498700000000 ] - [ -0.0211652500000000, -0.0008664800000000, 0.0170351100000000 ] - [ -0.0031710800000000, 0.0014086700000000, 0.0016922800000000 ] - [ -0.0003145700000000, -0.0001322800000000, -0.0013156400000000 ] - [ 0.0004247200000000, 0.0000439700000000, -0.0003928500000000 ] - [ 0.0002418600000000, -0.0001650300000000, 0.0007896700000000 ] - [ 0.1022441500000000, -0.2991821000000000, 0.0455782300000000 ] - [ -0.0006930900000000, 0.0016764700000000, -0.0001625700000000 ] - [ -0.0011990000000000, -0.0069185000000000, -0.0016542700000000 ] - [ 0.0003831800000000, 0.0002212800000000, 0.0001199100000000 ] - [ -0.0001814700000000, -0.0001627600000000, -0.0000201100000000 ] - [ -0.0001900300000000, -0.0001504300000000, -0.0000414900000000 ] - [ 0.0004080800000000, 0.0001237000000000, -0.0000924500000000 ] - [ 0.0010612400000000, -0.0005620800000000, 0.0010247400000000 ] - [ 0.0000039500000000, -0.0004627700000000, 0.0000497600000000 ] - [ 0.0000009200000000, -0.0004826800000000, 0.0000621800000000 ] - [ -0.0002058400000000, -0.0000901300000000, -0.0000102600000000 ] - [ 0.0002863000000000, -0.0013817900000000, -0.0004778700000000 ] - [ 0.0002682400000000, 0.0001805600000000, 0.0000661300000000 ] - [ 0.0001658700000000, 0.0001399100000000, -0.0000086600000000 ] - [ 0.0000221200000000, 0.0005061600000000, 0.0000746000000000 ] - [ 0.0000235100000000, 0.0005068000000000, -0.0001050100000000 ] - [ -0.0004558500000000, -0.0003274500000000, -0.0002233900000000 ] - [ -0.0004067200000000, -0.0002381400000000, 0.0000802100000000 ] - [ 0.0004447600000000, -0.0005459400000000, -0.0006701800000000 ] - [ -0.0000790600000000, 0.0009093200000000, 0.0007360400000000 ] - [ -0.0002286100000000, -0.0000260500000000, 0.0004520900000000 ] - [ -0.0001293800000000, -0.0001768400000000, -0.0005331600000000 ] - [ -0.0020573400000000, 0.0029367900000000, -0.0030206800000000 ] - [ 0.0000850600000000, -0.0017295200000000, 0.0013626800000000 ] - [ -0.0000403300000000, -0.0002232900000000, 0.0001826100000000 ] - [ 0.0000784700000000, -0.0000532100000000, -0.0001389500000000 ] - [ 0.0002346300000000, 0.0009218300000000, 0.0001434400000000 ] - [ -0.0002756400000000, -0.0002271100000000, 0.0004026700000000 ] - [ -0.0005584800000000, -0.0018688700000000, 0.0002208500000000 ] - [ 0.0185466700000000, -0.0070183000000000, -0.0047711600000000 ] - [ 0.0001132800000000, 0.0001899900000000, 0.0001852100000000 ] - [ 0.0000598800000000, -0.0001787300000000, -0.0000470500000000 ] - [ 0.0000601500000000, -0.0002207600000000, -0.0002051700000000 ] - [ 0.0000772600000000, -0.0000622500000000, -0.0001667900000000 ] - [ 0.0002080500000000, 0.0000564800000000, -0.0000552300000000 ] - [ 0.0002918400000000, 0.0004234300000000, 0.0000307100000000 ] - [ -0.0002533100000000, 0.0000098100000000, 0.0014522300000000 ] - [ -0.0002395100000000, -0.0003549400000000, 0.0001951900000000 ] - [ -0.0005016000000000, -0.0011578100000000, -0.0003763300000000 ] - [ 0.0062991700000000, 0.0030630300000000, -0.0006105100000000 ] - [ -0.0003379200000000, -0.0003022100000000, 0.0001923800000000 ] - [ -0.0011618900000000, 0.0009727200000000, -0.0006811900000000 ] - [ -0.0001544100000000, -0.0001732400000000, -0.0001205000000000 ] - [ -0.0001440000000000, -0.0001037500000000, -0.0001424800000000 ] - [ -0.0000696500000000, 0.0000739900000000, 0.0003850100000000 ] - [ -0.0000205600000000, 0.0001652900000000, 0.0004526500000000 ] - [ 0.0002291300000000, -0.0006293600000000, 0.0003558300000000 ] - [ -0.0002527400000000, 0.0013661300000000, 0.0002543300000000 ] - [ 0.0005365400000000, -0.0009635100000000, 0.0006071200000000 ] - [ 0.0005587700000000, -0.0001197300000000, -0.0003504500000000 ] - [ 0.0015949500000000, -0.0010441200000000, -0.0008220700000000 ] - [ -0.0005993900000000, 0.0003425800000000, 0.0003517300000000 ] - [ -0.0002009600000000, 0.0001984400000000, -0.0000213200000000 ] - [ -0.0004811100000000, -0.0000298000000000, 0.0004825600000000 ] - [ -0.0001836400000000, -0.0001336100000000, 0.0000031500000000 ] - [ -0.0002115600000000, -0.0003042500000000, 0.0000157500000000 ] - [ 0.0021877200000000, -0.0001029400000000, -0.0022519300000000 ] - [ -0.0000734100000000, -0.0003704600000000, 0.0004985500000000 ] - [ 0.0004142200000000, -0.0001364200000000, -0.0003619000000000 ] - [ 0.0004483300000000, -0.0000453400000000, -0.0003975400000000 ] - [ -0.0004039000000000, -0.0012779200000000, 0.0010853900000000 ] - [ 0.0018184800000000, 0.0024888800000000, -0.0048304100000000 ] - [ 0.0000433100000000, -0.0002307000000000, -0.0000368200000000 ] - [ 0.0001401900000000, -0.0004695500000000, -0.0004439800000000 ] - [ -0.0000381500000000, -0.0006007200000000, 0.0003708900000000 ] - [ -0.0001157100000000, -0.0000982100000000, 0.0000690700000000 ] - [ -0.0001786800000000, -0.0000981500000000, 0.0000916700000000 ] - [ -0.0002146200000000, 0.0001573100000000, -0.0002621800000000 ] - [ -0.0007588600000000, -0.0011743000000000, -0.0003587900000000 ] - [ -0.0001925700000000, 0.0023710000000000, 0.0018229100000000 ] - [ 0.0003664100000000, 0.0002529600000000, 0.0000964800000000 ] - [ 0.0003677600000000, 0.0002295100000000, 0.0000877600000000 ] - [ 0.0010483800000000, 0.0005192800000000, -0.0001450000000000 ] - [ 0.0003557200000000, -0.0000526100000000, 0.0004040900000000 ] - [ 0.0002838100000000, 0.0001931800000000, 0.0000305700000000 ] - [ 0.0002072400000000, 0.0000714400000000, 0.0002405900000000 ] - [ 0.0000453600000000, -0.0000399000000000, -0.0000454400000000 ] - [ 0.0001243700000000, -0.0002376800000000, -0.0000777100000000 ] - [ -0.1162720000000000, 0.3044278900000000, -0.0481752200000000 ] - [ -0.0000952900000000, -0.0021546000000000, -0.0001937400000000 ] - [ 0.0054321000000000, 0.0014302800000000, 0.0023425300000000 ] - [ -0.0001405000000000, -0.0004825300000000, -0.0004529100000000 ] - [ 0.0015397100000000, 0.0005732900000000, 0.0012338300000000 ] - [ 0.0005223700000000, -0.0006169500000000, -0.0002525600000000 ] - [ 0.0000906100000000, -0.0001181200000000, -0.0005239200000000 ] - [ 0.0000359400000000, -0.0001361300000000, -0.0003540600000000 ] - [ -0.0014416600000000, -0.0001880900000000, 0.0003414200000000 ] - [ 0.0044546000000000, -0.0050134400000000, -0.0038086200000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001772600000000, -0.0007527200000000, -0.0001672000000000 ] - [ -0.0003922200000000, 0.0014215900000000, -0.0006006800000000 ] - [ 0.0004180000000000, -0.0002634500000000, -0.0003570600000000 ] - [ 0.0000388600000000, 0.0000635800000000, 0.0002369700000000 ] - [ 0.0000387000000000, 0.0000195500000000, -0.0000089800000000 ] - [ 0.0000538700000000, -0.0000049000000000, 0.0002151900000000 ] - [ -0.0011215600000000, -0.0086891400000000, -0.0065561900000000 ] - [ -0.0032456100000000, -0.0051362300000000, 0.0057520500000000 ] - [ -0.0001680800000000, 0.0022835800000000, 0.0005038300000000 ] - [ -0.0000185900000000, -0.0018162500000000, -0.0016180300000000 ] - [ -0.0000088300000000, -0.0000586000000000, -0.0001050000000000 ] - [ -0.0000077100000000, 0.0000422200000000, -0.0000783600000000 ] - [ -0.0000328300000000, 0.0000794000000000, 0.0001531600000000 ] - [ 0.0000493000000000, 0.0000190400000000, 0.0000234100000000 ] - [ -0.0002188400000000, -0.0002794800000000, 0.0005392700000000 ] - [ -0.0002716900000000, -0.0001264800000000, -0.0005403000000000 ] - [ 0.0000084500000000, 0.0001440500000000, 0.0001213700000000 ] - [ 0.0000120400000000, -0.0002208700000000, 0.0001490600000000 ] - [ -0.0010284100000000, 0.0028194400000000, 0.0008677800000000 ] - [ 0.0010020100000000, -0.0023281100000000, 0.0011956700000000 ] - [ 0.0001954200000000, -0.0005475700000000, 0.0001118700000000 ] - [ 0.0002935600000000, 0.0006886800000000, -0.0002189800000000 ] - [ 0.0006657000000000, -0.0014712300000000, 0.0003872400000000 ] - [ 0.0019314800000000, 0.0021178000000000, -0.0011227200000000 ] - [ 0.0001093600000000, -0.0002138300000000, 0.0001018600000000 ] - [ 0.0001599200000000, 0.0000483900000000, 0.0001429600000000 ] - [ 0.0017938600000000, 0.0049275500000000, -0.0009117900000000 ] - [ -0.0005638300000000, -0.0021988700000000, 0.0009913400000000 ] - [ -0.0004571100000000, -0.0003808000000000, 0.0001823300000000 ] - [ -0.0003345500000000, 0.0002611300000000, 0.0001255900000000 ] - [ 0.0016462200000000, -0.0010348400000000, 0.0034067300000000 ] - [ 0.0002072400000000, -0.0004427900000000, -0.0004220100000000 ] - [ 0.0001342900000000, 0.0003550500000000, -0.0003485900000000 ] - [ -0.0001100000000000, -0.0001597800000000, 0.0000129300000000 ] - [ -0.0018752800000000, -0.0024703300000000, 0.0010483000000000 ] - [ 0.0208776800000000, 0.0010074800000000, -0.0163988700000000 ] - [ 0.0023431700000000, -0.0013036700000000, -0.0014968200000000 ] - [ -0.0004637100000000, 0.0002170600000000, 0.0014549800000000 ] - [ 0.0003508800000000, -0.0001405200000000, 0.0002371000000000 ] - [ 0.0005290700000000, 0.0000674100000000, -0.0009239400000000 ] - [ -0.1139500700000000, 0.3213470600000000, -0.0502015300000000 ] - [ 0.0006927400000000, -0.0007529400000000, 0.0002708600000000 ] - [ 0.0003991000000000, 0.0073418100000000, 0.0014485300000000 ] - [ -0.0008324000000000, 0.0000830300000000, -0.0002090400000000 ] - [ -0.0002803700000000, -0.0001405400000000, -0.0000717600000000 ] - [ -0.0002718500000000, -0.0001527600000000, -0.0000514800000000 ] - [ 0.0000588800000000, -0.0004216400000000, 0.0001809500000000 ] - [ -0.0005745000000000, 0.0002485100000000, -0.0009196900000000 ] - [ 0.0000103900000000, -0.0004322800000000, 0.0000623000000000 ] - [ 0.0000124400000000, -0.0004152300000000, 0.0000496700000000 ] - [ 0.0001879900000000, -0.0007994700000000, -0.0001009900000000 ] - [ -0.0002965500000000, 0.0004724400000000, 0.0003522500000000 ] - [ 0.0001936800000000, 0.0001236000000000, 0.0000259800000000 ] - [ 0.0002934200000000, 0.0001634300000000, 0.0000994500000000 ] - [ -0.0000348200000000, 0.0003925000000000, -0.0001845900000000 ] - [ -0.0000363100000000, 0.0003922300000000, -0.0000076900000000 ] - [ -0.0003569500000000, -0.0001060100000000, 0.0000362100000000 ] - [ -0.0004048300000000, -0.0001940500000000, -0.0002636400000000 ] - [ -0.0005770900000000, 0.0012299100000000, 0.0010189700000000 ] - [ -0.0000587000000000, -0.0001978100000000, -0.0003615200000000 ] - [ 0.0000357000000000, -0.0002869500000000, -0.0000062600000000 ] - [ -0.0000581800000000, -0.0001366100000000, 0.0009599400000000 ] - [ 0.0021762400000000, -0.0022059900000000, 0.0026409000000000 ] - [ 0.0000559300000000, 0.0023814700000000, -0.0016955600000000 ] - [ -0.0000491200000000, -0.0000113500000000, -0.0000248600000000 ] - [ -0.0001676500000000, -0.0001785200000000, 0.0002938600000000 ] - [ -0.0004168300000000, -0.0005980600000000, 0.0003024500000000 ] - [ 0.0000867000000000, 0.0005338600000000, 0.0000423300000000 ] - [ 0.0012804000000000, 0.0020068800000000, -0.0008876700000000 ] - [ -0.0171327600000000, 0.0069114900000000, 0.0039798600000000 ] - [ 0.0002149700000000, -0.0001747800000000, -0.0001363600000000 ] - [ 0.0002642400000000, 0.0001791800000000, 0.0000874900000000 ] - [ 0.0001320900000000, -0.0000936200000000, -0.0002387800000000 ] - [ 0.0001055900000000, -0.0002482800000000, -0.0002714700000000 ] - [ 0.0002113800000000, 0.0003761300000000, 0.0000452500000000 ] - [ 0.0001291900000000, 0.0000170500000000, -0.0000375400000000 ] - [ -0.0005158900000000, -0.0001986500000000, -0.0007520500000000 ] - [ -0.0005289300000000, 0.0001580600000000, 0.0004842200000000 ] - [ 0.0001507400000000, 0.0014096200000000, 0.0001154800000000 ] - [ -0.0064980900000000, -0.0027312900000000, 0.0003342500000000 ] - [ -0.0004725100000000, 0.0007221900000000, -0.0003703700000000 ] - [ 0.0003332700000000, -0.0005255100000000, 0.0004965300000000 ] - [ -0.0001814700000000, -0.0001018900000000, -0.0001353200000000 ] - [ -0.0001931100000000, -0.0001681400000000, -0.0001138600000000 ] - [ -0.0000262900000000, 0.0001489700000000, 0.0003514500000000 ] - [ -0.0000758200000000, 0.0000608100000000, 0.0002844800000000 ] - [ -0.0003143000000000, 0.0008484700000000, -0.0001908300000000 ] - [ 0.0001565400000000, -0.0011149100000000, -0.0000856400000000 ] - [ -0.0001078900000000, 0.0005164800000000, -0.0006053500000000 ] - [ -0.0001306700000000, -0.0003177500000000, 0.0003340200000000 ] - [ -0.0013670900000000, 0.0013352400000000, 0.0003587300000000 ] - [ 0.0007748500000000, -0.0000206600000000, -0.0007840400000000 ] - [ -0.0005674900000000, -0.0000035600000000, 0.0006956200000000 ] - [ -0.0002927100000000, 0.0002200200000000, 0.0001990300000000 ] - [ -0.0002359800000000, -0.0003007700000000, 0.0000065000000000 ] - [ -0.0002080800000000, -0.0001347100000000, -0.0000066900000000 ] - [ -0.0018294100000000, 0.0000941200000000, 0.0022574000000000 ] - [ 0.0003928100000000, 0.0003569000000000, -0.0004490800000000 ] - [ 0.0003516000000000, -0.0000550900000000, -0.0003139000000000 ] - [ 0.0003271000000000, -0.0001453500000000, -0.0002857600000000 ] - [ 0.0002984300000000, 0.0010373800000000, -0.0003334400000000 ] - [ -0.0018810600000000, -0.0026600900000000, 0.0054578500000000 ] - [ 0.0000967600000000, -0.0004522500000000, -0.0003210200000000 ] - [ -0.0000004000000000, -0.0002323500000000, 0.0000709100000000 ] - [ -0.0001004300000000, -0.0001017500000000, 0.0000002100000000 ] - [ -0.0000280900000000, -0.0005863700000000, 0.0002902400000000 ] - [ -0.0001512100000000, 0.0001110800000000, -0.0001414100000000 ] - [ -0.0001110800000000, -0.0001427600000000, 0.0002112300000000 ] - [ 0.0004208000000000, 0.0011453300000000, 0.0003068100000000 ] - [ -0.0001486500000000, -0.0023397300000000, -0.0018430800000000 ] - [ 0.0004456100000000, 0.0001758900000000, 0.0000897900000000 ] - [ 0.0004434200000000, 0.0001979500000000, 0.0001016600000000 ] - [ -0.0009294900000000, -0.0002717700000000, -0.0000170300000000 ] - [ -0.0002503200000000, 0.0002857600000000, -0.0005584000000000 ] - [ 0.0000590800000000, 0.0000796300000000, 0.0002276500000000 ] - [ 0.0001348900000000, 0.0001972500000000, 0.0000211600000000 ] - [ 0.0000450900000000, -0.0001925000000000, -0.0001133300000000 ] - [ -0.0000330600000000, 0.0000039500000000, -0.0000827200000000 ] - [ 0.1285531300000000, -0.3259689900000000, 0.0530982700000000 ] - [ 0.0008961400000000, 0.0016834400000000, 0.0003724000000000 ] - [ -0.0052842000000000, -0.0011956600000000, -0.0030483800000000 ] - [ 0.0002344200000000, 0.0006939000000000, -0.0002782700000000 ] - [ -0.0011752800000000, -0.0008349400000000, -0.0009668800000000 ] - [ -0.0001766300000000, 0.0003365300000000, 0.0005032000000000 ] - [ 0.0000058000000000, -0.0001048900000000, -0.0002152300000000 ] - [ 0.0000609100000000, -0.0000867000000000, -0.0003736400000000 ] - [ 0.0010081800000000, 0.0006337900000000, -0.0003286900000000 ] - [ -0.0047790500000000, 0.0053400700000000, 0.0037330000000000 ]- atom: 41 displacement: [ -0.0009337289454915, 0.0000000000000000, 0.0099563120811047 ] forces: - [ -0.0000954900000000, -0.0000737400000000, -0.0001345500000000 ] - [ -0.0010924100000000, 0.0004568500000000, 0.0007052600000000 ] - [ 0.0001473600000000, 0.0000527700000000, -0.0000546100000000 ] - [ 0.0003310400000000, -0.0002769000000000, 0.0002675000000000 ] - [ 0.0002255200000000, 0.0002323200000000, 0.0007130200000000 ] - [ 0.0000207700000000, -0.0000958900000000, 0.0003347300000000 ] - [ -0.0024539200000000, 0.0061745900000000, -0.0015061900000000 ] - [ 0.0004969700000000, -0.0026605200000000, -0.0005480000000000 ] - [ -0.0011546000000000, -0.0007063300000000, 0.0008501800000000 ] - [ -0.0000881800000000, 0.0000356900000000, -0.0001769100000000 ] - [ 0.0000032500000000, 0.0000470700000000, 0.0002056300000000 ] - [ 0.0000186700000000, 0.0000018400000000, 0.0002795500000000 ] - [ -0.0000417300000000, 0.0000478300000000, 0.0004723800000000 ] - [ -0.0000707800000000, 0.0000400900000000, 0.0004330400000000 ] - [ -0.0000321800000000, -0.0003000700000000, 0.0000529900000000 ] - [ 0.0001224900000000, 0.0005357800000000, 0.0005940300000000 ] - [ 0.0000196600000000, -0.0001080100000000, 0.0005782800000000 ] - [ 0.0000555500000000, -0.0000656500000000, 0.0004783300000000 ] - [ 0.0011837900000000, 0.0002281500000000, -0.0015319300000000 ] - [ -0.0001070500000000, -0.0002840200000000, -0.0003852500000000 ] - [ 0.0000150700000000, 0.0000084800000000, 0.0000015300000000 ] - [ 0.0000352300000000, 0.0001495400000000, 0.0000552400000000 ] - [ -0.0000405600000000, -0.0001125500000000, -0.0001684400000000 ] - [ 0.0000151400000000, 0.0002669000000000, -0.0010538000000000 ] - [ 0.0000101200000000, -0.0000954900000000, 0.0006048500000000 ] - [ 0.0000086600000000, -0.0001443200000000, 0.0007288300000000 ] - [ 0.0026680900000000, -0.0001067300000000, 0.0038372500000000 ] - [ 0.0003237300000000, 0.0000282200000000, -0.0002480000000000 ] - [ -0.0003190800000000, -0.0000222700000000, 0.0004934400000000 ] - [ -0.0003287500000000, -0.0001625300000000, 0.0007355900000000 ] - [ 0.0001236700000000, -0.0005176500000000, -0.0006096200000000 ] - [ 0.0001884600000000, 0.0001461800000000, -0.0004704200000000 ] - [ -0.0000083800000000, 0.0001668200000000, 0.0003488100000000 ] - [ -0.0000354900000000, 0.0000192000000000, 0.0002678500000000 ] - [ -0.0000399500000000, -0.0005652100000000, -0.0001030900000000 ] - [ -0.0019591000000000, 0.0037517100000000, -0.0031806600000000 ] - [ -0.0005165500000000, 0.0011762400000000, -0.0015543500000000 ] - [ -0.0008654900000000, -0.0005562100000000, 0.0001360400000000 ] - [ 0.0002306600000000, -0.0002337800000000, 0.0006260300000000 ] - [ 0.0001835700000000, 0.0002168600000000, 0.0004080000000000 ] - [ -0.0218034200000000, 0.0365963500000000, -0.0335123100000000 ] - [ 0.0000584000000000, 0.0003420400000000, 0.0000367300000000 ] - [ 0.0001254100000000, -0.0068123900000000, 0.0021599200000000 ] - [ -0.0002332900000000, 0.0001676500000000, -0.0001796500000000 ] - [ -0.0001144700000000, -0.0001620000000000, 0.0000466800000000 ] - [ -0.0001198800000000, -0.0001674200000000, 0.0000400500000000 ] - [ 0.0002446000000000, -0.0001554300000000, -0.0000021100000000 ] - [ -0.0004018800000000, 0.0004364400000000, 0.0010421600000000 ] - [ -0.0000083800000000, -0.0004878400000000, 0.0000945100000000 ] - [ -0.0000153600000000, -0.0005015600000000, 0.0001078100000000 ] - [ -0.0000267300000000, -0.0004314300000000, -0.0000286200000000 ] - [ 0.0005048300000000, -0.0009346800000000, 0.0006997800000000 ] - [ 0.0002127000000000, 0.0001805000000000, 0.0001046200000000 ] - [ 0.0002835600000000, 0.0001120700000000, 0.0002296700000000 ] - [ -0.0000079600000000, 0.0005446700000000, -0.0000047700000000 ] - [ -0.0000776600000000, 0.0003690400000000, -0.0000102000000000 ] - [ -0.0003636400000000, -0.0003322400000000, -0.0001383200000000 ] - [ -0.0002608900000000, -0.0001325700000000, -0.0004244300000000 ] - [ -0.0000296100000000, 0.0001773300000000, 0.0004354100000000 ] - [ 0.0000415500000000, 0.0004872600000000, 0.0001927900000000 ] - [ 0.0000474200000000, 0.0001687100000000, -0.0003063600000000 ] - [ 0.0000700500000000, -0.0002677100000000, 0.0000162900000000 ] - [ -0.0014353300000000, -0.0005261500000000, -0.0014423300000000 ] - [ -0.0000167400000000, 0.0003543000000000, 0.0001379600000000 ] - [ 0.0000324000000000, -0.0000609600000000, -0.0000609000000000 ] - [ -0.0000129000000000, -0.0001950200000000, -0.0000765800000000 ] - [ -0.0000820200000000, -0.0003361600000000, -0.0009309200000000 ] - [ -0.0000894800000000, 0.0002395200000000, 0.0002004100000000 ] - [ 0.0011079200000000, 0.0008519000000000, -0.0005972400000000 ] - [ -0.0011412000000000, -0.0015288900000000, 0.0078142500000000 ] - [ 0.0000735100000000, -0.0000656100000000, -0.0002437100000000 ] - [ 0.0000641500000000, -0.0001156000000000, -0.0001475500000000 ] - [ 0.0000423100000000, -0.0002433400000000, -0.0004961300000000 ] - [ 0.0000593600000000, -0.0002523400000000, -0.0005896200000000 ] - [ 0.0002016300000000, 0.0002661800000000, -0.0001781200000000 ] - [ 0.0001614900000000, 0.0001911200000000, -0.0003038100000000 ] - [ -0.0007409000000000, 0.0003078600000000, 0.0003722300000000 ] - [ -0.0006143500000000, -0.0003514700000000, 0.0004556600000000 ] - [ 0.0000815100000000, 0.0005068200000000, 0.0001904400000000 ] - [ -0.0000920900000000, 0.0002968100000000, 0.0006958900000000 ] - [ -0.0003557100000000, 0.0002743200000000, 0.0000288200000000 ] - [ -0.0005880400000000, -0.0004208000000000, -0.0016650500000000 ] - [ -0.0001829900000000, -0.0000982400000000, -0.0003134700000000 ] - [ -0.0002128100000000, -0.0000749200000000, -0.0003512300000000 ] - [ -0.0000716700000000, -0.0000626700000000, 0.0000260600000000 ] - [ -0.0001210500000000, 0.0000929900000000, -0.0000380600000000 ] - [ -0.0000447200000000, 0.0000120500000000, 0.0001255000000000 ] - [ -0.0010522100000000, 0.0006460600000000, -0.0002879000000000 ] - [ 0.0001779500000000, 0.0000125500000000, 0.0000981200000000 ] - [ 0.0001399700000000, -0.0003276100000000, 0.0001892900000000 ] - [ -0.0012080200000000, 0.0004438100000000, 0.0008401100000000 ] - [ 0.0006647700000000, 0.0005701900000000, 0.0001653300000000 ] - [ -0.0003218400000000, 0.0000485200000000, 0.0002352600000000 ] - [ -0.0003062300000000, 0.0002024000000000, 0.0002242800000000 ] - [ -0.0002152000000000, -0.0001729800000000, -0.0003176300000000 ] - [ -0.0002024200000000, -0.0001929300000000, -0.0002098300000000 ] - [ 0.0001622000000000, -0.0012851400000000, 0.0010267100000000 ] - [ 0.0003094100000000, 0.0003251200000000, 0.0000265700000000 ] - [ 0.0005261200000000, -0.0001359300000000, -0.0005971100000000 ] - [ 0.0005534100000000, -0.0001239900000000, -0.0006544600000000 ] - [ -0.0000422600000000, 0.0000054900000000, 0.0003280500000000 ] - [ 0.0011661600000000, -0.0013891200000000, 0.0013374200000000 ] - [ 0.0001817100000000, -0.0003804600000000, -0.0004826000000000 ] - [ 0.0001888600000000, -0.0004579700000000, -0.0004498400000000 ] - [ -0.0001055200000000, -0.0001979600000000, -0.0000164900000000 ] - [ -0.0002304500000000, -0.0001394900000000, -0.0002185000000000 ] - [ -0.0001608500000000, 0.0001120200000000, -0.0002306300000000 ] - [ 0.0000722100000000, -0.0000458300000000, -0.0003457400000000 ] - [ -0.0000397400000000, -0.0001300700000000, 0.0000772700000000 ] - [ -0.0006711400000000, 0.0007094800000000, -0.0019744900000000 ] - [ 0.0003291300000000, 0.0003223300000000, -0.0000981800000000 ] - [ 0.0003268600000000, 0.0003386000000000, -0.0000894400000000 ] - [ -0.0001618400000000, -0.0001785800000000, 0.0002222800000000 ] - [ 0.0003988200000000, 0.0004287700000000, 0.0000433500000000 ] - [ 0.0000143100000000, 0.0000939500000000, -0.0000476900000000 ] - [ 0.0001069500000000, 0.0002932600000000, -0.0000767800000000 ] - [ -0.0000720700000000, -0.0000264700000000, -0.0002976300000000 ] - [ -0.0000295000000000, -0.0000925100000000, -0.0002419400000000 ] - [ 0.0278718800000000, -0.0353678600000000, 0.0254135300000000 ] - [ 0.0003595300000000, -0.0001624400000000, 0.0003272200000000 ] - [ 0.0002143400000000, 0.0004098500000000, -0.0001337700000000 ] - [ 0.0000707100000000, 0.0000927400000000, -0.0000769600000000 ] - [ 0.0002887000000000, -0.0001144400000000, 0.0001271700000000 ] - [ 0.0001139600000000, -0.0001708500000000, 0.0001768100000000 ] - [ -0.0000032400000000, -0.0001950200000000, -0.0006510800000000 ] - [ 0.0000108500000000, -0.0001416300000000, -0.0005930600000000 ] - [ 0.0002573200000000, 0.0007813900000000, 0.0006041100000000 ] - [ -0.0010089700000000, 0.0006389900000000, 0.0009341200000000 ]- atom: 41 displacement: [ 0.0009337289454915, 0.0000000000000000, -0.0099563120811047 ] forces: - [ -0.0000315000000000, 0.0002026300000000, -0.0001948400000000 ] - [ 0.0009779600000000, -0.0003245200000000, -0.0010486400000000 ] - [ -0.0000677400000000, -0.0001707000000000, -0.0001434500000000 ] - [ -0.0002556200000000, 0.0001630000000000, -0.0004665000000000 ] - [ -0.0001964300000000, -0.0002126100000000, -0.0005428600000000 ] - [ 0.0000113300000000, 0.0001192700000000, -0.0001593500000000 ] - [ 0.0025632200000000, -0.0061319100000000, 0.0018402700000000 ] - [ -0.0003789500000000, 0.0028087900000000, 0.0009194100000000 ] - [ 0.0011696700000000, 0.0006835900000000, -0.0006742500000000 ] - [ 0.0001162000000000, -0.0000554200000000, 0.0003417200000000 ] - [ -0.0000360600000000, -0.0000711800000000, -0.0003818100000000 ] - [ -0.0000514300000000, -0.0000239400000000, -0.0004542500000000 ] - [ -0.0000385900000000, 0.0000667900000000, -0.0002739000000000 ] - [ -0.0000098900000000, 0.0000761000000000, -0.0002336300000000 ] - [ -0.0000954800000000, 0.0001603100000000, -0.0003884400000000 ] - [ -0.0002439100000000, -0.0006731900000000, -0.0009221800000000 ] - [ 0.0001065000000000, -0.0000235800000000, -0.0002459100000000 ] - [ 0.0000752600000000, -0.0000638500000000, -0.0001433000000000 ] - [ -0.0012611300000000, -0.0003410900000000, 0.0017519800000000 ] - [ 0.0000320800000000, 0.0001547000000000, 0.0005919600000000 ] - [ 0.0000657300000000, 0.0001137600000000, -0.0002072300000000 ] - [ 0.0000429400000000, -0.0000271300000000, -0.0002591600000000 ] - [ 0.0000060200000000, 0.0001329100000000, -0.0000062000000000 ] - [ -0.0000549200000000, -0.0002562700000000, 0.0008721200000000 ] - [ 0.0000708500000000, -0.0001286400000000, -0.0003750200000000 ] - [ 0.0000784200000000, -0.0000727400000000, -0.0004999900000000 ] - [ -0.0019757400000000, 0.0001954900000000, -0.0040225200000000 ] - [ 0.0004192200000000, 0.0000582400000000, 0.0001119900000000 ] - [ -0.0004220000000000, -0.0000738600000000, -0.0003417700000000 ] - [ -0.0004067600000000, 0.0000724100000000, -0.0005914100000000 ] - [ -0.0001976700000000, 0.0002967900000000, 0.0003366800000000 ] - [ -0.0002769100000000, -0.0003619200000000, 0.0002337700000000 ] - [ -0.0000726100000000, 0.0000600900000000, -0.0005845900000000 ] - [ -0.0000552400000000, 0.0001985900000000, -0.0004995900000000 ] - [ 0.0001293500000000, 0.0007810700000000, 0.0003260400000000 ] - [ 0.0021109100000000, -0.0035276600000000, 0.0032888400000000 ] - [ -0.0002014800000000, -0.0011045000000000, 0.0017306700000000 ] - [ 0.0001211900000000, 0.0006551300000000, 0.0000379800000000 ] - [ 0.0004954500000000, 0.0001393100000000, -0.0007732600000000 ] - [ 0.0005641400000000, -0.0003161500000000, -0.0005635400000000 ] - [ 0.0228500300000000, -0.0384497700000000, 0.0350688000000000 ] - [ -0.0000629000000000, 0.0006295900000000, 0.0000485900000000 ] - [ -0.0004100700000000, 0.0070830800000000, -0.0023807700000000 ] - [ -0.0001481100000000, 0.0001511200000000, 0.0000956400000000 ] - [ -0.0002633700000000, -0.0001565200000000, -0.0001300600000000 ] - [ -0.0002537000000000, -0.0001496400000000, -0.0001226200000000 ] - [ 0.0001307800000000, -0.0001629700000000, 0.0000840100000000 ] - [ 0.0007722800000000, -0.0007448100000000, -0.0009499500000000 ] - [ 0.0000017700000000, -0.0004857800000000, -0.0000115400000000 ] - [ 0.0000057000000000, -0.0004749400000000, -0.0000267400000000 ] - [ 0.0000360700000000, -0.0005442400000000, -0.0000538500000000 ] - [ -0.0004917300000000, -0.0000394700000000, -0.0007752300000000 ] - [ 0.0001647400000000, 0.0001373800000000, -0.0000219100000000 ] - [ 0.0000909800000000, 0.0002059200000000, -0.0001485900000000 ] - [ 0.0000151200000000, 0.0004282500000000, -0.0000786800000000 ] - [ 0.0000882100000000, 0.0006083300000000, -0.0000707300000000 ] - [ -0.0003619000000000, -0.0002563400000000, -0.0000106600000000 ] - [ -0.0004643300000000, -0.0004688800000000, 0.0002883200000000 ] - [ -0.0001843100000000, 0.0004313800000000, -0.0001112100000000 ] - [ -0.0002706700000000, 0.0000950200000000, 0.0001256100000000 ] - [ -0.0001566500000000, -0.0004774800000000, 0.0007253500000000 ] - [ -0.0002036600000000, -0.0000401100000000, 0.0004000900000000 ] - [ 0.0016662200000000, 0.0011420700000000, 0.0011025100000000 ] - [ 0.0002257700000000, 0.0002627800000000, -0.0004804200000000 ] - [ -0.0000962600000000, -0.0001714000000000, 0.0002396000000000 ] - [ -0.0000601400000000, -0.0000436100000000, 0.0002498400000000 ] - [ -0.0000340400000000, 0.0006515000000000, 0.0013566300000000 ] - [ -0.0000339000000000, 0.0000679900000000, 0.0002129600000000 ] - [ -0.0003118000000000, -0.0006258100000000, -0.0001148300000000 ] - [ 0.0018926800000000, 0.0018201000000000, -0.0085196600000000 ] - [ 0.0001662100000000, 0.0000013500000000, 0.0002579900000000 ] - [ 0.0001656100000000, 0.0000839100000000, 0.0001926400000000 ] - [ 0.0000732700000000, -0.0000668100000000, 0.0000783200000000 ] - [ 0.0000661600000000, -0.0000564500000000, 0.0001706800000000 ] - [ 0.0002013300000000, 0.0001416700000000, 0.0001426500000000 ] - [ 0.0002377400000000, 0.0002096200000000, 0.0002607800000000 ] - [ -0.0000988700000000, -0.0005488800000000, 0.0003617500000000 ] - [ -0.0001888200000000, 0.0001247300000000, 0.0002512900000000 ] - [ -0.0003990200000000, -0.0002024700000000, -0.0004178600000000 ] - [ -0.0002436200000000, -0.0000044000000000, -0.0009164700000000 ] - [ -0.0003671800000000, 0.0003274400000000, -0.0001622600000000 ] - [ -0.0001431700000000, 0.0009846000000000, 0.0014882900000000 ] - [ -0.0001285800000000, -0.0001979700000000, 0.0000839000000000 ] - [ -0.0001020400000000, -0.0002292900000000, 0.0001258300000000 ] - [ -0.0000275300000000, 0.0002725300000000, 0.0006709900000000 ] - [ 0.0000224900000000, 0.0001138200000000, 0.0007353900000000 ] - [ -0.0000299800000000, 0.0002304100000000, 0.0000472900000000 ] - [ 0.0010099000000000, -0.0004200800000000, 0.0004706200000000 ] - [ 0.0002231400000000, -0.0004163700000000, -0.0001282700000000 ] - [ 0.0002609700000000, -0.0000796100000000, -0.0002171600000000 ] - [ 0.0013427400000000, -0.0001306000000000, -0.0012797200000000 ] - [ -0.0005280600000000, -0.0002534900000000, -0.0005996200000000 ] - [ -0.0005041900000000, 0.0001942600000000, 0.0004928200000000 ] - [ -0.0005073200000000, 0.0000326400000000, 0.0004896300000000 ] - [ -0.0001864300000000, -0.0002332300000000, 0.0003544200000000 ] - [ -0.0001972700000000, -0.0002094500000000, 0.0002515400000000 ] - [ 0.0000558100000000, 0.0013593000000000, -0.0009979800000000 ] - [ -0.0000637400000000, -0.0002718100000000, -0.0000095900000000 ] - [ 0.0003000300000000, -0.0001106200000000, -0.0001307900000000 ] - [ 0.0002602100000000, -0.0001101600000000, -0.0000592000000000 ] - [ -0.0000572900000000, -0.0002163700000000, 0.0003706000000000 ] - [ -0.0012541000000000, 0.0011671700000000, -0.0006103100000000 ] - [ 0.0000242300000000, -0.0002288300000000, 0.0001539400000000 ] - [ 0.0000409900000000, -0.0001298700000000, 0.0001287100000000 ] - [ -0.0001193400000000, -0.0003925300000000, 0.0003385200000000 ] - [ 0.0000329900000000, -0.0004785800000000, 0.0005510600000000 ] - [ -0.0000641000000000, -0.0001701200000000, 0.0002069700000000 ] - [ -0.0003307700000000, -0.0000044900000000, 0.0003236200000000 ] - [ -0.0002027900000000, 0.0001739000000000, -0.0001132500000000 ] - [ 0.0004511400000000, -0.0006873900000000, 0.0019594700000000 ] - [ 0.0003958000000000, 0.0002661900000000, 0.0002495000000000 ] - [ 0.0003936000000000, 0.0002634600000000, 0.0002258700000000 ] - [ 0.0002219100000000, 0.0004137100000000, -0.0004064200000000 ] - [ -0.0003316800000000, -0.0001925800000000, -0.0002248700000000 ] - [ 0.0003035400000000, 0.0002040100000000, 0.0002772500000000 ] - [ 0.0002126100000000, 0.0000121200000000, 0.0003018500000000 ] - [ 0.0001470900000000, -0.0002125100000000, 0.0001255600000000 ] - [ 0.0000911900000000, -0.0001413900000000, 0.0000616700000000 ] - [ -0.0282476500000000, 0.0376966400000000, -0.0265911000000000 ] - [ 0.0003705700000000, -0.0004134400000000, -0.0001713300000000 ] - [ -0.0000911900000000, -0.0002014300000000, -0.0005294300000000 ] - [ 0.0000293200000000, 0.0001129500000000, -0.0006149500000000 ] - [ 0.0000267100000000, -0.0001797600000000, 0.0001139500000000 ] - [ 0.0002064500000000, -0.0001278400000000, 0.0000550700000000 ] - [ 0.0001023400000000, -0.0000109800000000, -0.0000412100000000 ] - [ 0.0000880000000000, -0.0000655500000000, -0.0001020100000000 ] - [ -0.0006552100000000, -0.0003814700000000, -0.0005603100000000 ] - [ 0.0005866400000000, -0.0002104700000000, -0.0008626500000000 ]- atom: 43 displacement: [ 0.0099999541101204, 0.0000000000000000, -0.0000302951396548 ] forces: - [ -0.0004294300000000, 0.0002811300000000, 0.0000135400000000 ] - [ -0.0007874100000000, -0.0002968400000000, 0.0005708800000000 ] - [ 0.0002683400000000, -0.0000713600000000, 0.0001080600000000 ] - [ 0.0005207000000000, -0.0002393300000000, 0.0002153800000000 ] - [ 0.0002187300000000, 0.0001798400000000, 0.0008247400000000 ] - [ 0.0000914100000000, 0.0000069900000000, 0.0005494800000000 ] - [ 0.0001915000000000, 0.0069881700000000, 0.0073220800000000 ] - [ -0.0008498600000000, -0.0012646900000000, 0.0005753500000000 ] - [ 0.0039842100000000, -0.0001172000000000, -0.0016652700000000 ] - [ 0.0006729900000000, 0.0000712500000000, -0.0007270300000000 ] - [ 0.0000236200000000, 0.0000574200000000, 0.0003979800000000 ] - [ 0.0000607200000000, 0.0000485400000000, 0.0004577200000000 ] - [ 0.0001246900000000, -0.0000103600000000, 0.0007585000000000 ] - [ 0.0000458200000000, 0.0000446100000000, 0.0005726700000000 ] - [ -0.0012190300000000, -0.0009206000000000, 0.0002003300000000 ] - [ -0.0005064000000000, -0.0001497600000000, -0.0004182000000000 ] - [ -0.0001262000000000, 0.0000539800000000, 0.0005672100000000 ] - [ -0.0000066300000000, -0.0000885700000000, 0.0005030900000000 ] - [ 0.0032213800000000, -0.0004533400000000, -0.0012398700000000 ] - [ 0.0006165800000000, -0.0000375400000000, -0.0000884800000000 ] - [ 0.0004758100000000, -0.0009845800000000, 0.0012353100000000 ] - [ 0.0000844100000000, 0.0018718300000000, 0.0013907300000000 ] - [ 0.0006078000000000, -0.0023320600000000, -0.0020240500000000 ] - [ 0.0031730600000000, 0.0090146700000000, -0.0031445800000000 ] - [ 0.0000537100000000, -0.0001267900000000, 0.0008481500000000 ] - [ 0.0000605100000000, -0.0001381800000000, 0.0008760700000000 ] - [ 0.0006390900000000, -0.0016766900000000, 0.0029761100000000 ] - [ 0.0008172100000000, 0.0004711300000000, 0.0006364800000000 ] - [ -0.0005963300000000, -0.0004749700000000, 0.0009378100000000 ] - [ -0.0005570500000000, 0.0001143600000000, 0.0011849100000000 ] - [ 0.0001029700000000, -0.0123663800000000, 0.0264464600000000 ] - [ -0.0009915100000000, 0.0016024800000000, -0.0003840500000000 ] - [ -0.0001275600000000, 0.0000690000000000, 0.0005977700000000 ] - [ 0.0000371700000000, 0.0000982100000000, 0.0004308200000000 ] - [ 0.0041987200000000, 0.0004419000000000, -0.0021123900000000 ] - [ 0.0058190800000000, 0.0001593600000000, -0.0019595100000000 ] - [ -0.0027237000000000, 0.0009598600000000, -0.0033439300000000 ] - [ -0.0001103100000000, 0.0005549800000000, -0.0015152100000000 ] - [ 0.0011377800000000, 0.0002718200000000, -0.0000369300000000 ] - [ 0.0011116000000000, 0.0004367400000000, -0.0001811000000000 ] - [ 0.0126278900000000, -0.0004774000000000, 0.0014328400000000 ] - [ -0.0003163700000000, 0.0010611900000000, -0.0000257300000000 ] - [ -0.3294407100000000, -0.0215449100000000, -0.0943075300000000 ] - [ -0.0008331700000000, 0.0001705800000000, -0.0002966500000000 ] - [ -0.0000993000000000, -0.0001705000000000, 0.0000997900000000 ] - [ -0.0001228900000000, -0.0001653100000000, 0.0000683500000000 ] - [ 0.0000583900000000, 0.0001535000000000, -0.0004419000000000 ] - [ 0.0003557700000000, -0.0006022700000000, -0.0007424500000000 ] - [ -0.0000219000000000, -0.0004955000000000, 0.0001213600000000 ] - [ -0.0000209100000000, -0.0004879500000000, 0.0001138300000000 ] - [ -0.0002846500000000, -0.0002700500000000, -0.0000165200000000 ] - [ -0.0013503900000000, 0.0003785400000000, -0.0007692500000000 ] - [ 0.0002743900000000, 0.0001631100000000, 0.0001781600000000 ] - [ 0.0002733900000000, 0.0001188300000000, 0.0002046700000000 ] - [ -0.0000333200000000, 0.0005105400000000, 0.0000467700000000 ] - [ -0.0000675000000000, 0.0004095600000000, -0.0000295100000000 ] - [ -0.0003569300000000, -0.0002562900000000, -0.0003217700000000 ] - [ -0.0003008100000000, -0.0001124400000000, -0.0003646500000000 ] - [ 0.0002123200000000, 0.0000605500000000, 0.0004813000000000 ] - [ -0.0000784900000000, 0.0005369400000000, 0.0005732600000000 ] - [ -0.0005894700000000, -0.0002148000000000, 0.0006206700000000 ] - [ -0.0002407600000000, -0.0002718500000000, 0.0005288800000000 ] - [ -0.0027283100000000, 0.0018156200000000, -0.0031405300000000 ] - [ -0.0001373000000000, 0.0004213400000000, -0.0003086700000000 ] - [ -0.0007099800000000, -0.0002179900000000, -0.0002520800000000 ] - [ -0.0007486800000000, -0.0006241000000000, -0.0002135600000000 ] - [ 0.0000638600000000, 0.0000051100000000, -0.0009311600000000 ] - [ -0.0001222300000000, -0.0000532100000000, -0.0002848500000000 ] - [ -0.0023482400000000, -0.0021893800000000, 0.0011355500000000 ] - [ -0.0041545100000000, 0.0036843300000000, 0.0003220700000000 ] - [ 0.0004073200000000, -0.0003338700000000, -0.0006245700000000 ] - [ 0.0002842500000000, 0.0000142600000000, -0.0001713700000000 ] - [ 0.0001352300000000, -0.0002139700000000, -0.0007142000000000 ] - [ 0.0001260000000000, -0.0003754900000000, -0.0008532400000000 ] - [ 0.0001747600000000, 0.0002414800000000, -0.0002988300000000 ] - [ 0.0001854400000000, 0.0002899500000000, -0.0003634700000000 ] - [ 0.0038249300000000, 0.0009320800000000, -0.0046541900000000 ] - [ 0.0001803900000000, -0.0003819100000000, 0.0002289300000000 ] - [ -0.0017414300000000, 0.0000958000000000, 0.0002638600000000 ] - [ -0.0038399000000000, -0.0008491300000000, 0.0007277900000000 ] - [ 0.0003107500000000, 0.0001805000000000, 0.0006041300000000 ] - [ 0.0004884900000000, 0.0003402500000000, 0.0010997500000000 ] - [ -0.0002543700000000, -0.0000406400000000, -0.0004468400000000 ] - [ -0.0002814500000000, -0.0000623900000000, -0.0004406200000000 ] - [ -0.0001087900000000, -0.0000517200000000, -0.0000753600000000 ] - [ -0.0001183800000000, 0.0000421800000000, -0.0000838300000000 ] - [ -0.0003801100000000, 0.0001041000000000, -0.0001450600000000 ] - [ -0.0010138900000000, 0.0010353800000000, -0.0005490700000000 ] - [ -0.0008803800000000, 0.0047304800000000, -0.0025592000000000 ] - [ 0.0002867200000000, -0.0024773600000000, -0.0006274700000000 ] - [ 0.0018770700000000, 0.0001812800000000, 0.0018755300000000 ] - [ 0.0007969700000000, -0.0010193000000000, 0.0016849100000000 ] - [ -0.0001523700000000, 0.0000834100000000, -0.0000555500000000 ] - [ -0.0003236800000000, 0.0001131800000000, 0.0002099200000000 ] - [ -0.0002512000000000, -0.0001852500000000, -0.0004305100000000 ] - [ -0.0002327800000000, -0.0001882800000000, -0.0003398400000000 ] - [ 0.0034479000000000, -0.0007306600000000, -0.0011870900000000 ] - [ 0.0006413300000000, -0.0003810200000000, 0.0004794600000000 ] - [ 0.0005526000000000, -0.0000905400000000, -0.0006743600000000 ] - [ 0.0005547400000000, -0.0001055900000000, -0.0006689300000000 ] - [ -0.0006072400000000, -0.0004546800000000, 0.0016144900000000 ] - [ -0.0014587300000000, -0.0002986900000000, 0.0015108100000000 ] - [ -0.0000714700000000, -0.0004408400000000, -0.0003678500000000 ] - [ -0.0000413900000000, -0.0005080700000000, -0.0003725900000000 ] - [ 0.0002166300000000, 0.0002138300000000, -0.0005149900000000 ] - [ 0.0003823300000000, -0.0004621200000000, -0.0003497300000000 ] - [ -0.0002390800000000, 0.0000315700000000, -0.0000578200000000 ] - [ -0.0002662300000000, -0.0000983600000000, 0.0000404000000000 ] - [ -0.0001318500000000, -0.0004835400000000, -0.0004283900000000 ] - [ -0.0000001500000000, 0.0005712300000000, -0.0009665300000000 ] - [ 0.0003536800000000, 0.0003184300000000, -0.0001661600000000 ] - [ 0.0003512000000000, 0.0002999900000000, -0.0000955200000000 ] - [ 0.0002178400000000, 0.0005125100000000, 0.0010352800000000 ] - [ -0.0001340800000000, 0.0000405300000000, 0.0001630900000000 ] - [ 0.0000295700000000, 0.0001486500000000, -0.0001168600000000 ] - [ 0.0000316900000000, 0.0002547300000000, -0.0001186300000000 ] - [ 0.0000223200000000, -0.0001161200000000, -0.0005892700000000 ] - [ -0.0000600300000000, 0.0000137500000000, -0.0003846300000000 ] - [ 0.3265337200000000, 0.0153330800000000, 0.0960702700000000 ] - [ 0.0009960400000000, -0.0003810400000000, 0.0003771000000000 ] - [ -0.0105089600000000, 0.0012037200000000, -0.0169816200000000 ] - [ 0.0004355400000000, -0.0001019100000000, 0.0002266800000000 ] - [ -0.0047282500000000, -0.0008355300000000, -0.0069605400000000 ] - [ -0.0002864300000000, -0.0001488300000000, 0.0002197200000000 ] - [ 0.0000085600000000, -0.0002258600000000, -0.0008853100000000 ] - [ -0.0000179200000000, -0.0002008500000000, -0.0007587800000000 ] - [ -0.0024325800000000, 0.0006494900000000, 0.0010096700000000 ] - [ -0.0013783100000000, 0.0008829300000000, 0.0007992600000000 ]- atom: 43 displacement: [ -0.0099999541101204, 0.0000000000000000, 0.0000302951396548 ] forces: - [ 0.0003078800000000, -0.0001532600000000, -0.0003469400000000 ] - [ 0.0006590700000000, 0.0004030400000000, -0.0008892700000000 ] - [ -0.0001934300000000, -0.0000415700000000, -0.0003187300000000 ] - [ -0.0004381400000000, 0.0001210200000000, -0.0004261600000000 ] - [ -0.0001786100000000, -0.0001606700000000, -0.0006443200000000 ] - [ -0.0000531500000000, 0.0000079400000000, -0.0003754000000000 ] - [ -0.0000263600000000, -0.0066842100000000, -0.0067724700000000 ] - [ 0.0009499100000000, 0.0013681700000000, -0.0002313200000000 ] - [ -0.0038614500000000, 0.0000988900000000, 0.0017791500000000 ] - [ -0.0006228400000000, -0.0000789300000000, 0.0008689500000000 ] - [ -0.0000595900000000, -0.0000703400000000, -0.0005447100000000 ] - [ -0.0000957800000000, -0.0000629100000000, -0.0006030600000000 ] - [ -0.0001941800000000, 0.0001227700000000, -0.0005217300000000 ] - [ -0.0001154000000000, 0.0000689400000000, -0.0003393300000000 ] - [ 0.0010790400000000, 0.0007683100000000, -0.0005255700000000 ] - [ 0.0003812200000000, 0.0000269100000000, 0.0000803900000000 ] - [ 0.0002345200000000, -0.0001726800000000, -0.0002132700000000 ] - [ 0.0001189800000000, -0.0000333000000000, -0.0001511500000000 ] - [ -0.0032231200000000, 0.0003187200000000, 0.0014259600000000 ] - [ -0.0006777300000000, -0.0000797300000000, 0.0002985600000000 ] - [ -0.0003927700000000, 0.0010804700000000, -0.0014247400000000 ] - [ -0.0000113700000000, -0.0017021200000000, -0.0015719100000000 ] - [ -0.0006436400000000, 0.0023005400000000, 0.0018013200000000 ] - [ -0.0031574400000000, -0.0087941200000000, 0.0028946800000000 ] - [ 0.0001241500000000, -0.0000542400000000, -0.0005974500000000 ] - [ 0.0001232400000000, -0.0000438100000000, -0.0006243100000000 ] - [ 0.0001446700000000, 0.0017437700000000, -0.0030627000000000 ] - [ -0.0000232800000000, -0.0003512900000000, -0.0007686600000000 ] - [ -0.0001945100000000, 0.0003569000000000, -0.0007657200000000 ] - [ -0.0002258700000000, -0.0002168700000000, -0.0010057900000000 ] - [ -0.0003228200000000, 0.0118425800000000, -0.0260447000000000 ] - [ 0.0007929100000000, -0.0017425400000000, 0.0001367900000000 ] - [ -0.0000554100000000, 0.0001076400000000, -0.0008059700000000 ] - [ -0.0002172400000000, 0.0000852500000000, -0.0006443300000000 ] - [ -0.0039324300000000, -0.0002522700000000, 0.0022798000000000 ] - [ -0.0055231400000000, 0.0000244800000000, 0.0021328500000000 ] - [ 0.0018652600000000, -0.0008245900000000, 0.0034602600000000 ] - [ -0.0006713900000000, -0.0004373200000000, 0.0016408800000000 ] - [ -0.0003478400000000, -0.0003738700000000, -0.0000943300000000 ] - [ -0.0003156600000000, -0.0005375200000000, 0.0000346900000000 ] - [ -0.0128251900000000, 0.0011683800000000, -0.0014756600000000 ] - [ 0.0003096400000000, -0.0000953800000000, 0.0001220200000000 ] - [ 0.3549541300000000, 0.0247555300000000, 0.1046896900000000 ] - [ 0.0004175500000000, 0.0001456500000000, 0.0002104500000000 ] - [ -0.0002995300000000, -0.0001452600000000, -0.0001744000000000 ] - [ -0.0002743700000000, -0.0001501400000000, -0.0001437700000000 ] - [ 0.0003374100000000, -0.0004647200000000, 0.0005101200000000 ] - [ 0.0000412600000000, 0.0002826000000000, 0.0008079300000000 ] - [ 0.0000219600000000, -0.0004570800000000, -0.0000205900000000 ] - [ 0.0000197900000000, -0.0004663900000000, -0.0000142000000000 ] - [ 0.0002791600000000, -0.0006778200000000, -0.0000821500000000 ] - [ 0.0013259000000000, -0.0013100800000000, 0.0006629500000000 ] - [ 0.0001306100000000, 0.0001522900000000, -0.0000954100000000 ] - [ 0.0001295900000000, 0.0001953300000000, -0.0001221600000000 ] - [ 0.0000319700000000, 0.0004423400000000, -0.0001423600000000 ] - [ 0.0000657000000000, 0.0005419100000000, -0.0000680500000000 ] - [ -0.0003894700000000, -0.0002721700000000, 0.0001136800000000 ] - [ -0.0004436100000000, -0.0004103500000000, 0.0001503100000000 ] - [ -0.0003449200000000, 0.0006199300000000, -0.0001193800000000 ] - [ -0.0000624900000000, 0.0001562800000000, -0.0001990100000000 ] - [ 0.0003880600000000, -0.0001038200000000, -0.0001749300000000 ] - [ 0.0000559000000000, -0.0000607300000000, -0.0000718800000000 ] - [ 0.0028368500000000, -0.0011039000000000, 0.0027173900000000 ] - [ 0.0002806400000000, 0.0002640900000000, -0.0000565900000000 ] - [ 0.0006323000000000, -0.0000033700000000, 0.0004020600000000 ] - [ 0.0006712300000000, 0.0003932000000000, 0.0003634200000000 ] - [ -0.0002540200000000, 0.0003144800000000, 0.0013507700000000 ] - [ -0.0000727400000000, 0.0003698200000000, 0.0007171400000000 ] - [ 0.0030337400000000, 0.0023447300000000, -0.0017626100000000 ] - [ 0.0048152100000000, -0.0033993100000000, -0.0009632700000000 ] - [ -0.0000361300000000, 0.0003632900000000, 0.0006630100000000 ] - [ 0.0001013800000000, -0.0000039300000000, 0.0002001400000000 ] - [ 0.0000652500000000, -0.0001088700000000, 0.0002543700000000 ] - [ 0.0000714600000000, 0.0000478400000000, 0.0003887800000000 ] - [ 0.0002452100000000, 0.0002244900000000, 0.0002691800000000 ] - [ 0.0002346100000000, 0.0001807200000000, 0.0003240900000000 ] - [ -0.0044736300000000, -0.0010945300000000, 0.0051853300000000 ] - [ -0.0009202500000000, 0.0001603900000000, 0.0004382400000000 ] - [ 0.0013516400000000, 0.0001659600000000, -0.0005243300000000 ] - [ 0.0034043600000000, 0.0010943500000000, -0.0009747600000000 ] - [ -0.0010424800000000, 0.0003456600000000, -0.0007966600000000 ] - [ -0.0012132600000000, 0.0001897300000000, -0.0012707900000000 ] - [ -0.0001064400000000, -0.0002182300000000, 0.0001652300000000 ] - [ -0.0000860900000000, -0.0001999000000000, 0.0001611000000000 ] - [ 0.0000074900000000, 0.0002727200000000, 0.0007807000000000 ] - [ 0.0000152600000000, 0.0001834800000000, 0.0007893700000000 ] - [ 0.0003042100000000, 0.0001198800000000, 0.0003009500000000 ] - [ 0.0009319600000000, -0.0007912100000000, 0.0007025100000000 ] - [ 0.0012759600000000, -0.0050710200000000, 0.0024881500000000 ] - [ 0.0001340900000000, 0.0019569200000000, 0.0005994900000000 ] - [ -0.0016349700000000, 0.0001297300000000, -0.0022926900000000 ] - [ -0.0005848800000000, 0.0013248500000000, -0.0020918900000000 ] - [ -0.0005790700000000, 0.0001115000000000, 0.0006939600000000 ] - [ -0.0004152800000000, 0.0000864500000000, 0.0004393100000000 ] - [ -0.0001712800000000, -0.0002785900000000, 0.0004368300000000 ] - [ -0.0001887500000000, -0.0002758300000000, 0.0003537600000000 ] - [ -0.0030302700000000, 0.0006735000000000, 0.0012137900000000 ] - [ -0.0002714400000000, 0.0003412500000000, -0.0004152600000000 ] - [ 0.0001830300000000, -0.0000973100000000, 0.0000198300000000 ] - [ 0.0001880500000000, -0.0000956800000000, 0.0000055700000000 ] - [ 0.0004988100000000, 0.0002242800000000, -0.0008622100000000 ] - [ 0.0013344300000000, 0.0000616700000000, -0.0007575900000000 ] - [ 0.0002096300000000, -0.0002559300000000, -0.0000075900000000 ] - [ 0.0001703300000000, -0.0001985100000000, -0.0000071900000000 ] - [ -0.0003462700000000, -0.0008950500000000, 0.0008651500000000 ] - [ -0.0005315800000000, -0.0002186700000000, 0.0006951200000000 ] - [ -0.0001338700000000, 0.0000099100000000, -0.0000046200000000 ] - [ -0.0000913800000000, 0.0001354900000000, -0.0001069900000000 ] - [ -0.0002376700000000, 0.0004440000000000, 0.0003688900000000 ] - [ -0.0003696700000000, -0.0005816500000000, 0.0009021400000000 ] - [ 0.0003892900000000, 0.0002127200000000, 0.0003615100000000 ] - [ 0.0003912200000000, 0.0002233800000000, 0.0003048200000000 ] - [ -0.0001426000000000, -0.0002791000000000, -0.0011749700000000 ] - [ 0.0001995200000000, 0.0001822000000000, -0.0003190100000000 ] - [ 0.0003281000000000, 0.0001130200000000, 0.0003821000000000 ] - [ 0.0003294700000000, 0.0000140900000000, 0.0003819900000000 ] - [ 0.0000427300000000, -0.0001051600000000, 0.0004172300000000 ] - [ 0.0001209200000000, -0.0002359400000000, 0.0002113300000000 ] - [ -0.3509942900000000, -0.0186257100000000, -0.1059376000000000 ] - [ -0.0002387900000000, -0.0001542300000000, -0.0001725100000000 ] - [ 0.0101260600000000, -0.0009579400000000, 0.0156452100000000 ] - [ -0.0003276900000000, 0.0003172000000000, -0.0009242600000000 ] - [ 0.0049657900000000, 0.0005619700000000, 0.0070526100000000 ] - [ 0.0006343800000000, -0.0001124600000000, 0.0000595700000000 ] - [ 0.0000902200000000, -0.0000033200000000, 0.0001525400000000 ] - [ 0.0001172900000000, -0.0000316000000000, 0.0000288500000000 ] - [ 0.0019546300000000, -0.0001776300000000, -0.0009526300000000 ] - [ 0.0009327000000000, -0.0004088700000000, -0.0007609800000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000933200000000, 0.0004510200000000, -0.0000581600000000 ] - [ -0.0000668300000000, -0.0003638800000000, -0.0002126700000000 ] - [ -0.0002272400000000, -0.0000293300000000, 0.0001075200000000 ] - [ 0.0001103800000000, -0.0000747900000000, -0.0002386200000000 ] - [ -0.0000234100000000, -0.0000368400000000, 0.0000894900000000 ] - [ 0.0000366700000000, 0.0000414100000000, 0.0001036600000000 ] - [ 0.0045641100000000, -0.0003525500000000, 0.0012137800000000 ] - [ -0.0006048600000000, 0.0003562100000000, 0.0000437700000000 ] - [ 0.0002322200000000, -0.0000809100000000, 0.0001764200000000 ] - [ 0.0000262400000000, 0.0000861300000000, -0.0000001500000000 ] - [ -0.0000275600000000, -0.0000075800000000, -0.0000383500000000 ] - [ -0.0000187000000000, 0.0000045200000000, -0.0000482200000000 ] - [ -0.0000188100000000, 0.0000273000000000, 0.0001357000000000 ] - [ -0.0000559300000000, 0.0000819600000000, 0.0001435400000000 ] - [ -0.0001226300000000, -0.0002787200000000, -0.0005629500000000 ] - [ 0.0000188200000000, 0.0002871100000000, 0.0001641200000000 ] - [ 0.0000460900000000, -0.0001177400000000, 0.0002246300000000 ] - [ 0.0000737200000000, 0.0000000900000000, 0.0001681700000000 ] - [ -0.0003458100000000, -0.0001852900000000, -0.0001772500000000 ] - [ 0.0000508800000000, 0.0001029900000000, 0.0001967200000000 ] - [ -0.0000012300000000, 0.0001422200000000, -0.0001442800000000 ] - [ 0.0000804600000000, 0.0000780300000000, 0.0000518900000000 ] - [ -0.0016566900000000, 0.0012255200000000, -0.0010953300000000 ] - [ 0.0035846100000000, 0.0017818100000000, 0.0005193900000000 ] - [ 0.0000925000000000, -0.0000659100000000, 0.0001607900000000 ] - [ 0.0000674000000000, -0.0001243400000000, 0.0001426300000000 ] - [ 0.0005315200000000, 0.0000786700000000, -0.0001770700000000 ] - [ 0.0004752800000000, 0.0002935700000000, -0.0001019400000000 ] - [ -0.0003786800000000, 0.0000572500000000, 0.0000464900000000 ] - [ -0.0004193400000000, -0.0001999400000000, 0.0002152600000000 ] - [ -0.0027225300000000, -0.0025907800000000, 0.0013713600000000 ] - [ -0.0001774500000000, 0.0006823900000000, -0.0003362800000000 ] - [ -0.0001465300000000, -0.0000429900000000, 0.0000124500000000 ] - [ -0.0000958900000000, 0.0002456700000000, -0.0001164500000000 ] - [ -0.0005359700000000, -0.0004055400000000, 0.0004093300000000 ] - [ 0.0010864500000000, 0.0004067300000000, -0.0005965500000000 ] - [ -0.0017686000000000, -0.0018287300000000, 0.0040077500000000 ] - [ 0.0001267600000000, 0.0009965800000000, -0.0017576700000000 ] - [ 0.0004676400000000, -0.0001353200000000, -0.0001025500000000 ] - [ 0.0003348500000000, 0.0000989900000000, -0.0000243600000000 ] - [ -0.0315429200000000, -0.0066490200000000, -0.0099158300000000 ] - [ 0.0002136500000000, 0.0004938100000000, 0.0000836000000000 ] - [ -0.0247411900000000, -0.0548481500000000, -0.0094183200000000 ] - [ -0.0002365600000000, 0.0004162500000000, -0.0000395800000000 ] - [ -0.0002379200000000, -0.0001532700000000, -0.0000377900000000 ] - [ -0.0002433300000000, -0.0001437600000000, -0.0000478200000000 ] - [ 0.0005580200000000, -0.0000334900000000, 0.0000132200000000 ] - [ -0.0001931000000000, -0.0001327300000000, 0.0001018600000000 ] - [ 0.0000114100000000, -0.0004354900000000, 0.0000593200000000 ] - [ 0.0000159900000000, -0.0004240500000000, 0.0000658200000000 ] - [ -0.0002139100000000, -0.0001530600000000, -0.0000713700000000 ] - [ 0.0000375000000000, -0.0008359100000000, 0.0005397500000000 ] - [ 0.0002882900000000, 0.0001493900000000, 0.0000657700000000 ] - [ 0.0002447000000000, 0.0001490800000000, 0.0000522500000000 ] - [ 0.0000011600000000, 0.0004140500000000, -0.0000082500000000 ] - [ -0.0000109900000000, 0.0004532600000000, -0.0000783700000000 ] - [ -0.0004743000000000, -0.0002103500000000, -0.0001569500000000 ] - [ -0.0004085100000000, -0.0002036800000000, -0.0000526900000000 ] - [ 0.0002632600000000, 0.0001553600000000, -0.0009410600000000 ] - [ -0.0001955100000000, 0.0004877000000000, 0.0006576700000000 ] - [ -0.0002028000000000, -0.0000826600000000, 0.0002249800000000 ] - [ -0.0000592300000000, -0.0002412800000000, 0.0002204500000000 ] - [ 0.0003895600000000, -0.0002238600000000, 0.0003747600000000 ] - [ 0.0000530100000000, 0.0002811100000000, -0.0001354800000000 ] - [ -0.0000631000000000, -0.0001035700000000, 0.0000719700000000 ] - [ -0.0000978300000000, -0.0001595000000000, 0.0000211800000000 ] - [ -0.0001823900000000, 0.0002364000000000, 0.0003320100000000 ] - [ -0.0001154300000000, 0.0000631600000000, 0.0001521200000000 ] - [ 0.0009875600000000, 0.0017301300000000, -0.0008770300000000 ] - [ -0.0008486700000000, 0.0029896900000000, -0.0002396500000000 ] - [ 0.0001718800000000, 0.0000685500000000, 0.0000054400000000 ] - [ 0.0001449200000000, -0.0000693900000000, 0.0000136100000000 ] - [ 0.0001111000000000, -0.0001767900000000, -0.0002327200000000 ] - [ 0.0001204100000000, -0.0001485100000000, -0.0002718000000000 ] - [ 0.0002123800000000, 0.0001146600000000, -0.0000944300000000 ] - [ 0.0002336900000000, 0.0003008700000000, 0.0000020100000000 ] - [ 0.0000970300000000, 0.0006538300000000, 0.0000799500000000 ] - [ -0.0003308200000000, -0.0004379300000000, 0.0003973200000000 ] - [ 0.0003599700000000, 0.0001119300000000, -0.0000440100000000 ] - [ -0.0004791900000000, 0.0001401500000000, -0.0001012700000000 ] - [ -0.0004566500000000, -0.0001126700000000, 0.0004133400000000 ] - [ -0.0001655500000000, -0.0000596400000000, -0.0009634300000000 ] - [ -0.0001652700000000, -0.0001307100000000, -0.0001377200000000 ] - [ -0.0001641000000000, -0.0001362600000000, -0.0001319000000000 ] - [ -0.0000768300000000, 0.0001193400000000, 0.0003177000000000 ] - [ -0.0000552000000000, 0.0001132000000000, 0.0003384400000000 ] - [ -0.0000000100000000, 0.0000484000000000, 0.0000683700000000 ] - [ 0.0000157100000000, 0.0000174100000000, 0.0001485700000000 ] - [ 0.0005483900000000, 0.0010354400000000, -0.0001738800000000 ] - [ 0.0001393700000000, -0.0006128500000000, -0.0001730100000000 ] - [ 0.0017826400000000, -0.0005460800000000, -0.0027525600000000 ] - [ -0.0005097100000000, -0.0011143300000000, 0.0011809100000000 ] - [ -0.0003063300000000, 0.0001827900000000, 0.0002104400000000 ] - [ -0.0003888100000000, 0.0000325500000000, 0.0003601800000000 ] - [ -0.0002039600000000, -0.0001857400000000, -0.0000109700000000 ] - [ -0.0002136700000000, -0.0002305000000000, -0.0000114500000000 ] - [ -0.0002215600000000, 0.0007929800000000, -0.0007139000000000 ] - [ 0.0003645100000000, -0.0005468300000000, 0.0004727700000000 ] - [ 0.0003733500000000, -0.0001146100000000, -0.0003464400000000 ] - [ 0.0003937600000000, -0.0001039100000000, -0.0003716500000000 ] - [ -0.0001154600000000, -0.0001068400000000, 0.0001894400000000 ] - [ -0.0000082200000000, -0.0001794100000000, 0.0005627000000000 ] - [ 0.0000541700000000, -0.0002931300000000, -0.0001529400000000 ] - [ 0.0000744900000000, -0.0004269200000000, -0.0002375000000000 ] - [ -0.0000105900000000, -0.0003982700000000, 0.0002346700000000 ] - [ -0.0001041800000000, -0.0002486300000000, 0.0000317400000000 ] - [ -0.0002365400000000, 0.0000321000000000, 0.0000319500000000 ] - [ -0.0000485200000000, -0.0000220400000000, -0.0001384900000000 ] - [ -0.0003390600000000, -0.0002457200000000, -0.0001504100000000 ] - [ -0.0000706000000000, 0.0000987800000000, 0.0000810700000000 ] - [ 0.0004130300000000, 0.0002207200000000, 0.0000619500000000 ] - [ 0.0004105500000000, 0.0001907200000000, 0.0000744800000000 ] - [ 0.0007843000000000, 0.0008005900000000, -0.0003202700000000 ] - [ -0.0003772700000000, -0.0003245000000000, 0.0001782000000000 ] - [ 0.0002160500000000, 0.0002116200000000, 0.0000372600000000 ] - [ 0.0001700700000000, 0.0000757500000000, 0.0001584300000000 ] - [ 0.0000353900000000, -0.0000576300000000, -0.0001064700000000 ] - [ 0.0000753600000000, -0.0001526400000000, -0.0000654600000000 ] - [ 0.0523570200000000, 0.0508374600000000, 0.0211327500000000 ] - [ 0.0004202700000000, -0.0004022900000000, 0.0000591800000000 ] - [ -0.0007655100000000, 0.0082384900000000, -0.0031741400000000 ] - [ 0.0000992300000000, -0.0004359800000000, -0.0000570900000000 ] - [ 0.0001724100000000, -0.0002963400000000, -0.0003755600000000 ] - [ 0.0001169100000000, -0.0002770600000000, 0.0001316700000000 ] - [ 0.0000674700000000, -0.0001113500000000, -0.0004094200000000 ] - [ 0.0000557700000000, -0.0001576200000000, -0.0003650100000000 ] - [ 0.0000684400000000, 0.0004651500000000, -0.0000678700000000 ] - [ -0.0005280800000000, 0.0003690800000000, 0.0002447300000000 ]- atom: 43 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002104000000000, -0.0003363400000000, -0.0002770800000000 ] - [ -0.0000507600000000, 0.0004736100000000, -0.0001169400000000 ] - [ 0.0003072600000000, -0.0000819900000000, -0.0003248400000000 ] - [ -0.0000305400000000, -0.0000414500000000, 0.0000221800000000 ] - [ 0.0000573000000000, 0.0000517900000000, 0.0000760400000000 ] - [ -0.0000024400000000, -0.0000296400000000, 0.0000599200000000 ] - [ -0.0044940100000000, 0.0005187100000000, -0.0009486200000000 ] - [ 0.0007200400000000, -0.0002311200000000, 0.0002761800000000 ] - [ -0.0002009900000000, 0.0000706900000000, -0.0000147700000000 ] - [ 0.0000067200000000, -0.0000955500000000, 0.0001694900000000 ] - [ -0.0000064000000000, -0.0000045000000000, -0.0001285000000000 ] - [ -0.0000153300000000, -0.0000194800000000, -0.0001186800000000 ] - [ -0.0000587100000000, 0.0000873700000000, 0.0000765100000000 ] - [ -0.0000195300000000, 0.0000316000000000, 0.0000711100000000 ] - [ 0.0000112200000000, 0.0001645700000000, 0.0002315200000000 ] - [ -0.0001334400000000, -0.0004117500000000, -0.0004889600000000 ] - [ 0.0000685600000000, 0.0000014000000000, 0.0001036800000000 ] - [ 0.0000428800000000, -0.0001143200000000, 0.0001601000000000 ] - [ 0.0002809300000000, 0.0000620700000000, 0.0003963800000000 ] - [ -0.0001278700000000, -0.0002235700000000, 0.0000172000000000 ] - [ 0.0000791300000000, -0.0000166600000000, -0.0000691200000000 ] - [ -0.0000031300000000, 0.0000341600000000, -0.0002673100000000 ] - [ 0.0016467500000000, -0.0012239200000000, 0.0009441300000000 ] - [ -0.0035890500000000, -0.0017862700000000, -0.0006778100000000 ] - [ 0.0000200900000000, -0.0001445400000000, 0.0000603800000000 ] - [ 0.0000452700000000, -0.0000882800000000, 0.0000845000000000 ] - [ 0.0002187800000000, -0.0000132800000000, 0.0000365400000000 ] - [ 0.0002799500000000, -0.0002045700000000, -0.0000572500000000 ] - [ -0.0003785600000000, -0.0001361200000000, 0.0001101700000000 ] - [ -0.0003370900000000, 0.0001053600000000, -0.0000660200000000 ] - [ 0.0025817400000000, 0.0024445500000000, -0.0016516000000000 ] - [ 0.0000688700000000, -0.0008967800000000, 0.0001163900000000 ] - [ 0.0000334000000000, 0.0002574300000000, -0.0002377100000000 ] - [ -0.0000211700000000, -0.0000342300000000, -0.0001150600000000 ] - [ 0.0006291300000000, 0.0006489000000000, -0.0001695300000000 ] - [ -0.0009977900000000, -0.0002106500000000, 0.0008488900000000 ] - [ 0.0010125400000000, 0.0019730600000000, -0.0039023900000000 ] - [ -0.0008788200000000, -0.0009115300000000, 0.0018900200000000 ] - [ 0.0002918300000000, 0.0000501600000000, -0.0000566200000000 ] - [ 0.0004192400000000, -0.0001863500000000, -0.0001262600000000 ] - [ 0.0313031200000000, 0.0076545200000000, 0.0099298200000000 ] - [ -0.0002048500000000, 0.0004008000000000, 0.0000235700000000 ] - [ 0.0215392000000000, 0.0541942900000000, 0.0084950000000000 ] - [ -0.0002229300000000, -0.0001147900000000, -0.0000551600000000 ] - [ -0.0002260300000000, -0.0001483400000000, -0.0000586800000000 ] - [ -0.0002205200000000, -0.0001575500000000, -0.0000491800000000 ] - [ -0.0000985100000000, -0.0002689300000000, 0.0000850000000000 ] - [ 0.0006542200000000, -0.0001712000000000, -0.0000055400000000 ] - [ 0.0000015000000000, -0.0004566100000000, 0.0000486900000000 ] - [ -0.0000047900000000, -0.0004709300000000, 0.0000418400000000 ] - [ 0.0002024600000000, -0.0007426600000000, -0.0000357600000000 ] - [ -0.0000464300000000, -0.0000689000000000, -0.0006502300000000 ] - [ 0.0001728400000000, 0.0001528900000000, 0.0000295900000000 ] - [ 0.0002159800000000, 0.0001523700000000, 0.0000432300000000 ] - [ -0.0000131300000000, 0.0004821000000000, -0.0000997300000000 ] - [ -0.0000009000000000, 0.0004415600000000, -0.0000297300000000 ] - [ -0.0003198600000000, -0.0002643700000000, -0.0000039600000000 ] - [ -0.0003846100000000, -0.0002700100000000, -0.0001087100000000 ] - [ -0.0004149300000000, 0.0005207900000000, 0.0013113900000000 ] - [ 0.0000456800000000, 0.0001984700000000, -0.0002967700000000 ] - [ 0.0000091300000000, -0.0002283800000000, 0.0002008000000000 ] - [ -0.0001301300000000, -0.0000606900000000, 0.0001954700000000 ] - [ -0.0002552300000000, 0.0009124200000000, -0.0007593500000000 ] - [ 0.0000976000000000, 0.0003873900000000, -0.0002096200000000 ] - [ -0.0000484200000000, -0.0001361200000000, 0.0000706800000000 ] - [ -0.0000155000000000, -0.0000765800000000, 0.0001247700000000 ] - [ -0.0000039500000000, 0.0000677600000000, 0.0000812900000000 ] - [ -0.0000748600000000, 0.0002408000000000, 0.0002664500000000 ] - [ -0.0001530600000000, -0.0015190600000000, 0.0001519000000000 ] - [ 0.0017070500000000, -0.0028078400000000, -0.0004841400000000 ] - [ 0.0001097700000000, -0.0000790500000000, 0.0000401000000000 ] - [ 0.0001288300000000, 0.0000425600000000, 0.0000211900000000 ] - [ 0.0000861800000000, -0.0001272100000000, -0.0001873600000000 ] - [ 0.0000654800000000, -0.0001522700000000, -0.0001399800000000 ] - [ 0.0002079100000000, 0.0003101700000000, 0.0000756400000000 ] - [ 0.0001861300000000, 0.0001228500000000, -0.0000215700000000 ] - [ -0.0009103500000000, -0.0008678400000000, 0.0006623500000000 ] - [ -0.0004772000000000, 0.0002306300000000, 0.0003206900000000 ] - [ -0.0007040100000000, 0.0001629300000000, -0.0002018200000000 ] - [ 0.0001434900000000, 0.0001484700000000, -0.0001437200000000 ] - [ -0.0003373500000000, 0.0005847600000000, -0.0005857700000000 ] - [ -0.0006290600000000, 0.0005361100000000, 0.0007971400000000 ] - [ -0.0001750300000000, -0.0001504200000000, -0.0001010600000000 ] - [ -0.0001784700000000, -0.0001442600000000, -0.0001054600000000 ] - [ -0.0000336400000000, 0.0001247500000000, 0.0004378200000000 ] - [ -0.0000571200000000, 0.0001326100000000, 0.0004155300000000 ] - [ -0.0001110300000000, 0.0001870300000000, 0.0000790400000000 ] - [ -0.0001308500000000, 0.0002275900000000, -0.0000031400000000 ] - [ -0.0001261700000000, -0.0014762400000000, 0.0001465300000000 ] - [ 0.0002804100000000, 0.0001908700000000, 0.0001501000000000 ] - [ -0.0016265400000000, 0.0008426000000000, 0.0023834700000000 ] - [ 0.0006843600000000, 0.0014094200000000, -0.0015803700000000 ] - [ -0.0005002000000000, 0.0000262000000000, 0.0005091700000000 ] - [ -0.0004172700000000, 0.0001758700000000, 0.0003580400000000 ] - [ -0.0002178300000000, -0.0002383500000000, 0.0000309200000000 ] - [ -0.0002070200000000, -0.0001948200000000, 0.0000323600000000 ] - [ 0.0005149600000000, -0.0007983700000000, 0.0007495500000000 ] - [ -0.0000859700000000, 0.0005623400000000, -0.0004297800000000 ] - [ 0.0004297000000000, -0.0000938200000000, -0.0003696900000000 ] - [ 0.0004183700000000, -0.0001046000000000, -0.0003518200000000 ] - [ 0.0000077300000000, -0.0001393000000000, 0.0005648400000000 ] - [ -0.0001000200000000, -0.0000545000000000, 0.0001856300000000 ] - [ 0.0000938100000000, -0.0003692300000000, -0.0001898500000000 ] - [ 0.0000743300000000, -0.0002481500000000, -0.0001166100000000 ] - [ -0.0001343500000000, -0.0002821300000000, 0.0001200500000000 ] - [ -0.0000471600000000, -0.0004159800000000, 0.0003137300000000 ] - [ -0.0000457100000000, -0.0000480700000000, -0.0000765900000000 ] - [ -0.0002271700000000, 0.0000046500000000, 0.0000975900000000 ] - [ 0.0000586100000000, 0.0002648400000000, 0.0001149600000000 ] - [ -0.0002109300000000, -0.0000749300000000, -0.0001189000000000 ] - [ 0.0003836000000000, 0.0002498500000000, 0.0000985300000000 ] - [ 0.0003851900000000, 0.0002809200000000, 0.0000903600000000 ] - [ -0.0006764000000000, -0.0005738700000000, 0.0001746800000000 ] - [ 0.0004890000000000, 0.0005612500000000, -0.0003236700000000 ] - [ 0.0001285800000000, 0.0000652800000000, 0.0002064500000000 ] - [ 0.0001768100000000, 0.0002025200000000, 0.0000846400000000 ] - [ 0.0000771400000000, -0.0001810700000000, -0.0000375700000000 ] - [ 0.0000348600000000, -0.0000819900000000, -0.0000820400000000 ] - [ -0.0486403000000000, -0.0505341000000000, -0.0200167500000000 ] - [ 0.0003744600000000, -0.0000742400000000, 0.0001003600000000 ] - [ 0.0009476700000000, -0.0079881700000000, 0.0024498000000000 ] - [ 0.0000102200000000, 0.0006819500000000, -0.0006983300000000 ] - [ 0.0001914700000000, 0.0000194000000000, 0.0006459800000000 ] - [ 0.0002233600000000, -0.0000017800000000, 0.0001057400000000 ] - [ 0.0000431800000000, -0.0001330000000000, -0.0003468500000000 ] - [ 0.0000561900000000, -0.0000843800000000, -0.0003791700000000 ] - [ -0.0004943900000000, -0.0000622600000000, 0.0000887400000000 ] - [ 0.0001139900000000, 0.0000503300000000, -0.0002330800000000 ]- atom: 43 displacement: [ -0.0009337289454915, 0.0000000000000000, 0.0099563120811047 ] forces: - [ 0.0000465200000000, 0.0003826300000000, 0.0002744100000000 ] - [ -0.0000837600000000, -0.0007376700000000, 0.0010852800000000 ] - [ -0.0002682800000000, -0.0000049300000000, 0.0004270800000000 ] - [ -0.0000877200000000, -0.0001310200000000, 0.0002423900000000 ] - [ 0.0000325200000000, 0.0000419100000000, 0.0005763400000000 ] - [ 0.0000416500000000, 0.0000436200000000, 0.0005051000000000 ] - [ 0.0057617700000000, 0.0031765400000000, 0.0037160000000000 ] - [ 0.0002302000000000, -0.0005598500000000, -0.0000121500000000 ] - [ 0.0010871000000000, -0.0001295900000000, -0.0010803100000000 ] - [ 0.0001582400000000, 0.0000087800000000, -0.0004598600000000 ] - [ -0.0000089300000000, 0.0000596900000000, 0.0004416200000000 ] - [ 0.0000252600000000, 0.0000566500000000, 0.0004744200000000 ] - [ 0.0000420800000000, -0.0000104200000000, 0.0006475200000000 ] - [ -0.0000001600000000, 0.0000423600000000, 0.0005329500000000 ] - [ -0.0007809400000000, -0.0008943700000000, 0.0010844700000000 ] - [ -0.0000996100000000, 0.0004373400000000, 0.0003269900000000 ] - [ -0.0001188300000000, -0.0000009600000000, 0.0006716700000000 ] - [ -0.0000021800000000, -0.0001046500000000, 0.0005830100000000 ] - [ 0.0001303800000000, -0.0004768300000000, -0.0005501600000000 ] - [ -0.0000759800000000, -0.0000234300000000, -0.0003557800000000 ] - [ 0.0003361000000000, -0.0004561900000000, 0.0003354400000000 ] - [ 0.0003210200000000, 0.0007542600000000, 0.0003129700000000 ] - [ -0.0003662300000000, -0.0002536300000000, -0.0024612700000000 ] - [ 0.0000078800000000, 0.0023322000000000, -0.0031185600000000 ] - [ 0.0000634600000000, -0.0000997100000000, 0.0008058300000000 ] - [ 0.0000523300000000, -0.0001078200000000, 0.0007869800000000 ] - [ 0.0015106100000000, 0.0006926100000000, 0.0001676800000000 ] - [ 0.0007472400000000, 0.0004581900000000, 0.0001962800000000 ] - [ -0.0004573200000000, -0.0003292200000000, 0.0009203000000000 ] - [ -0.0002796700000000, 0.0001261900000000, 0.0012437500000000 ] - [ 0.0077151100000000, -0.0039468700000000, 0.0087126100000000 ] - [ -0.0000982500000000, 0.0006349000000000, -0.0010726500000000 ] - [ -0.0004339400000000, -0.0000163500000000, 0.0007718600000000 ] - [ -0.0001964400000000, 0.0001740100000000, 0.0005407200000000 ] - [ 0.0005832500000000, 0.0007970500000000, -0.0012113200000000 ] - [ 0.0016493700000000, 0.0000321900000000, -0.0014494500000000 ] - [ -0.0040148200000000, 0.0022449700000000, 0.0023063500000000 ] - [ -0.0006590600000000, -0.0004069800000000, 0.0004036900000000 ] - [ 0.0004216100000000, -0.0000081700000000, 0.0004291400000000 ] - [ 0.0003782300000000, 0.0003032000000000, 0.0000975700000000 ] - [ 0.0044858400000000, -0.0010464100000000, 0.0027481700000000 ] - [ 0.0000126100000000, 0.0005295100000000, -0.0000754100000000 ] - [ -0.0682980200000000, -0.0066745900000000, -0.0448965900000000 ] - [ -0.0004513100000000, 0.0001583800000000, -0.0003330600000000 ] - [ -0.0001292200000000, -0.0001611300000000, 0.0001051500000000 ] - [ -0.0001586300000000, -0.0001520400000000, 0.0000695700000000 ] - [ -0.0002059900000000, -0.0002173400000000, -0.0001455700000000 ] - [ -0.0005332600000000, -0.0000563900000000, -0.0001842100000000 ] - [ 0.0000003600000000, -0.0004416300000000, 0.0001379300000000 ] - [ 0.0000071000000000, -0.0004217400000000, 0.0001322300000000 ] - [ 0.0001443400000000, -0.0005738400000000, -0.0000915300000000 ] - [ -0.0005133500000000, 0.0004761100000000, 0.0009506600000000 ] - [ 0.0004123600000000, 0.0001473100000000, 0.0001906300000000 ] - [ 0.0003858800000000, 0.0001377100000000, 0.0001882300000000 ] - [ -0.0000001700000000, 0.0004685000000000, 0.0001224500000000 ] - [ -0.0000334700000000, 0.0004045300000000, 0.0000012500000000 ] - [ -0.0005370100000000, -0.0002206500000000, -0.0003754200000000 ] - [ -0.0004816100000000, -0.0001113200000000, -0.0003267500000000 ] - [ 0.0005079300000000, -0.0003404600000000, -0.0006425000000000 ] - [ 0.0001232500000000, 0.0006045500000000, 0.0000313800000000 ] - [ 0.0000572700000000, -0.0000625700000000, 0.0001196700000000 ] - [ 0.0000157500000000, -0.0002649900000000, 0.0003050300000000 ] - [ 0.0009283700000000, 0.0000052200000000, 0.0010497600000000 ] - [ -0.0000594200000000, 0.0002877700000000, -0.0000838600000000 ] - [ -0.0001901700000000, -0.0000863900000000, -0.0001382700000000 ] - [ -0.0002346700000000, -0.0002971500000000, -0.0000693600000000 ] - [ -0.0003936500000000, 0.0000142600000000, -0.0001294400000000 ] - [ -0.0002017400000000, -0.0000301500000000, -0.0001412200000000 ] - [ 0.0000524200000000, -0.0001172100000000, -0.0000238900000000 ] - [ -0.0009567300000000, 0.0012969900000000, -0.0000215100000000 ] - [ 0.0002627800000000, -0.0002813600000000, -0.0006288000000000 ] - [ 0.0001938600000000, -0.0000201900000000, -0.0002080300000000 ] - [ 0.0001339700000000, -0.0002519700000000, -0.0007250100000000 ] - [ 0.0001073400000000, -0.0003796400000000, -0.0008495700000000 ] - [ 0.0002328400000000, 0.0001785200000000, -0.0003902500000000 ] - [ 0.0002867800000000, 0.0003375300000000, -0.0003830100000000 ] - [ -0.0012278500000000, 0.0004612500000000, -0.0022056100000000 ] - [ -0.0006023900000000, -0.0002460100000000, 0.0005712900000000 ] - [ -0.0001496600000000, 0.0000740900000000, 0.0003528800000000 ] - [ -0.0012027000000000, -0.0001228000000000, 0.0006027300000000 ] - [ -0.0001637100000000, 0.0007281300000000, -0.0000754100000000 ] - [ 0.0002242000000000, -0.0007649800000000, -0.0007008100000000 ] - [ -0.0002053700000000, -0.0000440700000000, -0.0004247400000000 ] - [ -0.0002223300000000, -0.0000719400000000, -0.0004041400000000 ] - [ -0.0001330600000000, -0.0000030700000000, -0.0000843200000000 ] - [ -0.0001281600000000, 0.0000198700000000, -0.0000656900000000 ] - [ -0.0000916900000000, 0.0000597100000000, -0.0000278900000000 ] - [ -0.0002732500000000, 0.0000239700000000, 0.0000224100000000 ] - [ -0.0006865100000000, 0.0017912000000000, -0.0000573900000000 ] - [ 0.0001304000000000, -0.0010319800000000, 0.0001936400000000 ] - [ 0.0017342900000000, -0.0016891200000000, 0.0000615000000000 ] - [ 0.0007391000000000, 0.0007617000000000, 0.0002161200000000 ] - [ 0.0000181100000000, 0.0001248500000000, -0.0003210900000000 ] - [ -0.0002074800000000, 0.0000635900000000, 0.0000308200000000 ] - [ -0.0002164100000000, -0.0001768300000000, -0.0003720600000000 ] - [ -0.0002142400000000, -0.0001847800000000, -0.0003283100000000 ] - [ 0.0008705200000000, -0.0009804600000000, -0.0018290200000000 ] - [ 0.0001422500000000, -0.0000056600000000, -0.0000037500000000 ] - [ 0.0005220000000000, -0.0001029700000000, -0.0006578100000000 ] - [ 0.0005284500000000, -0.0001218000000000, -0.0006555700000000 ] - [ 0.0001026400000000, -0.0003312800000000, 0.0011560300000000 ] - [ -0.0001108400000000, -0.0002648000000000, 0.0013457900000000 ] - [ 0.0001024200000000, -0.0004654100000000, -0.0004998200000000 ] - [ 0.0000944100000000, -0.0005135100000000, -0.0004331500000000 ] - [ -0.0000558700000000, 0.0001112600000000, -0.0003513400000000 ] - [ -0.0000755300000000, -0.0003921800000000, -0.0003138600000000 ] - [ -0.0000959500000000, 0.0001058000000000, -0.0002575400000000 ] - [ 0.0000411400000000, -0.0000904900000000, -0.0002318100000000 ] - [ -0.0005141500000000, -0.0005099000000000, -0.0002957000000000 ] - [ -0.0007802500000000, 0.0000807600000000, -0.0004225100000000 ] - [ 0.0003761500000000, 0.0002619200000000, -0.0001981500000000 ] - [ 0.0003770300000000, 0.0002252000000000, -0.0001238500000000 ] - [ 0.0013021800000000, 0.0003409800000000, 0.0000252600000000 ] - [ 0.0004069800000000, 0.0002755700000000, -0.0000176200000000 ] - [ 0.0002476900000000, 0.0002201900000000, -0.0001898800000000 ] - [ 0.0001773700000000, 0.0001861000000000, -0.0001128500000000 ] - [ -0.0001246000000000, -0.0000558500000000, -0.0004742900000000 ] - [ -0.0000882800000000, 0.0000201100000000, -0.0003368300000000 ] - [ 0.0622597600000000, 0.0077534400000000, 0.0326756100000000 ] - [ 0.0005444500000000, -0.0001487100000000, 0.0004659500000000 ] - [ -0.0085758400000000, -0.0012706900000000, 0.0020571600000000 ] - [ 0.0001954000000000, -0.0001700500000000, 0.0005040300000000 ] - [ -0.0013663300000000, -0.0005734200000000, -0.0010082800000000 ] - [ -0.0000071200000000, -0.0000987300000000, 0.0003373500000000 ] - [ 0.0000541600000000, -0.0002453200000000, -0.0009072700000000 ] - [ 0.0000172400000000, -0.0002476400000000, -0.0007751300000000 ] - [ -0.0014873000000000, -0.0000368200000000, 0.0008092600000000 ] - [ -0.0004839200000000, 0.0003332300000000, 0.0005979400000000 ]- atom: 43 displacement: [ 0.0009337289454915, 0.0000000000000000, -0.0099563120811047 ] forces: - [ -0.0001770800000000, -0.0002646200000000, -0.0006091500000000 ] - [ -0.0000463400000000, 0.0008733400000000, -0.0014314800000000 ] - [ 0.0003485800000000, -0.0001103700000000, -0.0006189000000000 ] - [ 0.0001667400000000, 0.0000171500000000, -0.0004311100000000 ] - [ 0.0000146700000000, -0.0000323500000000, -0.0003961500000000 ] - [ 0.0000046700000000, -0.0000343300000000, -0.0003245800000000 ] - [ -0.0057315300000000, -0.0031130400000000, -0.0033868900000000 ] - [ -0.0001060700000000, 0.0006860100000000, 0.0003585900000000 ] - [ -0.0010498000000000, 0.0001262500000000, 0.0012568400000000 ] - [ -0.0001127700000000, -0.0000152000000000, 0.0006372500000000 ] - [ -0.0000372500000000, -0.0000688900000000, -0.0006234600000000 ] - [ -0.0000710000000000, -0.0000659900000000, -0.0006560600000000 ] - [ -0.0001177300000000, 0.0001256500000000, -0.0004589400000000 ] - [ -0.0000750000000000, 0.0000721700000000, -0.0003443700000000 ] - [ 0.0006488000000000, 0.0007556000000000, -0.0014110300000000 ] - [ -0.0000285200000000, -0.0005657000000000, -0.0006609600000000 ] - [ 0.0002455600000000, -0.0001208300000000, -0.0003378100000000 ] - [ 0.0001297600000000, -0.0000184000000000, -0.0002499500000000 ] - [ -0.0001875600000000, 0.0003585700000000, 0.0007498200000000 ] - [ 0.0000021100000000, -0.0000997500000000, 0.0005502900000000 ] - [ -0.0002586600000000, 0.0005776300000000, -0.0005294700000000 ] - [ -0.0002416300000000, -0.0006336100000000, -0.0005074500000000 ] - [ 0.0003177200000000, 0.0002645100000000, 0.0022860100000000 ] - [ -0.0000765600000000, -0.0023398300000000, 0.0029397300000000 ] - [ 0.0001341700000000, -0.0000770100000000, -0.0005784200000000 ] - [ 0.0001447100000000, -0.0000694600000000, -0.0005589500000000 ] - [ -0.0007496600000000, -0.0005880000000000, -0.0003024300000000 ] - [ 0.0000222000000000, -0.0003490300000000, -0.0003358200000000 ] - [ -0.0003165700000000, 0.0002151800000000, -0.0007773900000000 ] - [ -0.0004894800000000, -0.0002386200000000, -0.0010984800000000 ] - [ -0.0078041600000000, 0.0037670100000000, -0.0089722400000000 ] - [ -0.0000951900000000, -0.0008162400000000, 0.0008402100000000 ] - [ 0.0002408300000000, 0.0001937800000000, -0.0010047900000000 ] - [ 0.0000006400000000, 0.0000025400000000, -0.0007699500000000 ] - [ -0.0003749700000000, -0.0006150000000000, 0.0014310000000000 ] - [ -0.0014283500000000, 0.0001411100000000, 0.0016549500000000 ] - [ 0.0032926800000000, -0.0021782800000000, -0.0021559300000000 ] - [ -0.0001139200000000, 0.0005240200000000, -0.0002489400000000 ] - [ 0.0003490200000000, -0.0001073600000000, -0.0005719100000000 ] - [ 0.0003922500000000, -0.0004159700000000, -0.0002449100000000 ] - [ -0.0045198000000000, 0.0019336100000000, -0.0025974600000000 ] - [ 0.0000102100000000, 0.0003538300000000, 0.0001815500000000 ] - [ 0.0659499300000000, 0.0068392500000000, 0.0425969900000000 ] - [ -0.0000307700000000, 0.0001409600000000, 0.0002265300000000 ] - [ -0.0003517200000000, -0.0001387200000000, -0.0002119700000000 ] - [ -0.0003228200000000, -0.0001476400000000, -0.0001766200000000 ] - [ 0.0006849100000000, -0.0000835300000000, 0.0002506300000000 ] - [ 0.0010091100000000, -0.0002418800000000, 0.0002869800000000 ] - [ 0.0000235100000000, -0.0004401200000000, -0.0000329700000000 ] - [ 0.0000168600000000, -0.0004597700000000, -0.0000272000000000 ] - [ -0.0001669800000000, -0.0003085400000000, -0.0000144300000000 ] - [ 0.0004863300000000, -0.0013466300000000, -0.0010478900000000 ] - [ 0.0000676600000000, 0.0001524800000000, -0.0000846900000000 ] - [ 0.0000944300000000, 0.0001620300000000, -0.0000821400000000 ] - [ -0.0000242200000000, 0.0004122500000000, -0.0002297300000000 ] - [ 0.0000094000000000, 0.0004770600000000, -0.0001066700000000 ] - [ -0.0002762100000000, -0.0002309200000000, 0.0002216800000000 ] - [ -0.0003322400000000, -0.0003412700000000, 0.0001705600000000 ] - [ -0.0006689600000000, 0.0010342000000000, 0.0009924700000000 ] - [ -0.0002847100000000, 0.0000754500000000, 0.0003199100000000 ] - [ -0.0002694200000000, -0.0002539200000000, 0.0003062600000000 ] - [ -0.0002198600000000, -0.0000546500000000, 0.0001237500000000 ] - [ -0.0007724600000000, 0.0006841000000000, -0.0014306400000000 ] - [ 0.0002184400000000, 0.0003938600000000, -0.0002672400000000 ] - [ 0.0000900900000000, -0.0001358300000000, 0.0002672800000000 ] - [ 0.0001297900000000, 0.0000722400000000, 0.0001966100000000 ] - [ 0.0001884600000000, 0.0003026500000000, 0.0005493700000000 ] - [ -0.0000092300000000, 0.0003460800000000, 0.0005615600000000 ] - [ 0.0006522900000000, 0.0003385100000000, -0.0006185800000000 ] - [ 0.0016437900000000, -0.0010204400000000, -0.0006247000000000 ] - [ 0.0000492900000000, 0.0002944500000000, 0.0006836400000000 ] - [ 0.0001204200000000, 0.0000182200000000, 0.0002557500000000 ] - [ 0.0000817100000000, -0.0000644800000000, 0.0003004600000000 ] - [ 0.0001035000000000, 0.0000658700000000, 0.0004311000000000 ] - [ 0.0001832500000000, 0.0002290000000000, 0.0003683900000000 ] - [ 0.0001286700000000, 0.0000669900000000, 0.0003544900000000 ] - [ 0.0004876300000000, -0.0006908500000000, 0.0028416400000000 ] - [ -0.0001149800000000, 0.0000048900000000, 0.0000798700000000 ] - [ -0.0001752800000000, 0.0002085400000000, -0.0005732900000000 ] - [ 0.0008725200000000, 0.0004039900000000, -0.0008212000000000 ] - [ -0.0006496200000000, -0.0002736400000000, -0.0000828600000000 ] - [ -0.0010348500000000, 0.0012118400000000, 0.0005523100000000 ] - [ -0.0001132800000000, -0.0002400100000000, 0.0002076400000000 ] - [ -0.0000998700000000, -0.0002148500000000, 0.0001892000000000 ] - [ 0.0000052700000000, 0.0002342900000000, 0.0007288200000000 ] - [ -0.0000011400000000, 0.0002146500000000, 0.0007101400000000 ] - [ -0.0000125400000000, 0.0001657000000000, 0.0001529500000000 ] - [ 0.0001757000000000, 0.0002016900000000, 0.0001070300000000 ] - [ 0.0010993800000000, -0.0022045200000000, 0.0000464000000000 ] - [ 0.0002861700000000, 0.0006269500000000, -0.0002122600000000 ] - [ -0.0015307800000000, 0.0020227800000000, -0.0005089900000000 ] - [ -0.0005294900000000, -0.0004474800000000, -0.0006440600000000 ] - [ -0.0007328600000000, 0.0001128700000000, 0.0009706800000000 ] - [ -0.0005041700000000, 0.0001751900000000, 0.0006142900000000 ] - [ -0.0002012700000000, -0.0002307100000000, 0.0003933500000000 ] - [ -0.0002030900000000, -0.0002228500000000, 0.0003542900000000 ] - [ -0.0005817400000000, 0.0009919500000000, 0.0019115500000000 ] - [ 0.0001684400000000, 0.0000006500000000, 0.0000548200000000 ] - [ 0.0001873000000000, -0.0001326700000000, 0.0000158000000000 ] - [ 0.0001867400000000, -0.0001178000000000, 0.0000067400000000 ] - [ -0.0002297200000000, 0.0001022700000000, -0.0005082100000000 ] - [ -0.0000169400000000, 0.0000287400000000, -0.0006941100000000 ] - [ 0.0000529200000000, -0.0002072900000000, 0.0001591800000000 ] - [ 0.0000611300000000, -0.0001695700000000, 0.0000838400000000 ] - [ -0.0000965600000000, -0.0007964600000000, 0.0007018900000000 ] - [ -0.0000828300000000, -0.0002838500000000, 0.0006561500000000 ] - [ -0.0002224700000000, -0.0000950900000000, 0.0002047900000000 ] - [ -0.0003461900000000, 0.0000937400000000, 0.0001792600000000 ] - [ 0.0002052700000000, 0.0005068300000000, 0.0002412200000000 ] - [ 0.0004726100000000, -0.0000892200000000, 0.0003685500000000 ] - [ 0.0004390100000000, 0.0001904900000000, 0.0003504600000000 ] - [ 0.0004380300000000, 0.0002248600000000, 0.0002831100000000 ] - [ -0.0012151500000000, -0.0001167800000000, -0.0001588000000000 ] - [ -0.0003064900000000, -0.0000517100000000, -0.0001140600000000 ] - [ 0.0000692000000000, 0.0000621800000000, 0.0004105000000000 ] - [ 0.0001460500000000, 0.0001011700000000, 0.0003302500000000 ] - [ 0.0002271300000000, -0.0001689400000000, 0.0003464200000000 ] - [ 0.0001853200000000, -0.0002418400000000, 0.0002061200000000 ] - [ -0.0594132900000000, -0.0080074100000000, -0.0304888100000000 ] - [ 0.0002714300000000, -0.0003046300000000, -0.0003146000000000 ] - [ 0.0086572900000000, 0.0014806600000000, -0.0025830200000000 ] - [ -0.0000676100000000, 0.0004015100000000, -0.0011461100000000 ] - [ 0.0016954300000000, 0.0002929700000000, 0.0012595900000000 ] - [ 0.0003236900000000, -0.0001826900000000, -0.0001161900000000 ] - [ 0.0000736300000000, 0.0000124200000000, 0.0002645100000000 ] - [ 0.0001129200000000, 0.0000122200000000, 0.0001344900000000 ] - [ 0.0010636400000000, 0.0004392200000000, -0.0007784600000000 ] - [ 0.0000604200000000, 0.0000781800000000, -0.0005726000000000 ]- atom: 57 displacement: [ 0.0099999541101204, 0.0000000000000000, -0.0000302951396548 ] forces: - [ 0.0086540100000000, -0.0014063400000000, 0.0071735700000000 ] - [ 0.0024316900000000, -0.0011921600000000, -0.0015335100000000 ] - [ -0.0047182200000000, -0.0000394400000000, -0.0002810700000000 ] - [ -0.0010423200000000, -0.0004288700000000, -0.0007322000000000 ] - [ -0.0033250600000000, 0.0052218500000000, 0.0016387100000000 ] - [ -0.0018388800000000, -0.0018673600000000, 0.0002923200000000 ] - [ 0.0010114100000000, 0.0010488300000000, 0.0008397200000000 ] - [ 0.0006054200000000, -0.0002359500000000, 0.0003082600000000 ] - [ -0.0000607100000000, 0.0000411700000000, -0.0001924300000000 ] - [ -0.0000417000000000, 0.0000122100000000, -0.0001199100000000 ] - [ -0.0035060200000000, 0.0000226000000000, 0.0028987200000000 ] - [ -0.0005508600000000, -0.0002377000000000, 0.0011784700000000 ] - [ -0.0003149200000000, 0.0012357000000000, -0.0007022300000000 ] - [ -0.0005290600000000, -0.0007167800000000, -0.0007241600000000 ] - [ 0.0001248600000000, 0.0000247200000000, -0.0003608100000000 ] - [ 0.0000277900000000, -0.0001009400000000, -0.0003137000000000 ] - [ 0.0004236300000000, 0.0000279700000000, 0.0001891900000000 ] - [ 0.0009842400000000, -0.0006394600000000, -0.0005431100000000 ] - [ -0.0009692100000000, -0.0002902400000000, -0.0003365600000000 ] - [ -0.0008240900000000, -0.0000471600000000, 0.0001674200000000 ] - [ -0.0001353900000000, 0.0000346300000000, -0.0004490100000000 ] - [ -0.0000671400000000, 0.0000365500000000, -0.0003128100000000 ] - [ -0.0003295600000000, 0.0002676000000000, -0.0008110100000000 ] - [ -0.0000849900000000, -0.0000570700000000, -0.0004216600000000 ] - [ -0.0003637400000000, -0.0074738400000000, -0.0155498000000000 ] - [ 0.0001552400000000, 0.0008556800000000, 0.0000639000000000 ] - [ -0.0002543600000000, 0.0011010500000000, 0.0017088900000000 ] - [ -0.0029921900000000, -0.0000780500000000, 0.0033009400000000 ] - [ -0.0009000900000000, 0.0003276100000000, 0.0004752300000000 ] - [ -0.0007794300000000, 0.0003198600000000, 0.0005614500000000 ] - [ -0.0001517900000000, -0.0001015900000000, -0.0006349700000000 ] - [ -0.0001403000000000, -0.0001138200000000, -0.0005461900000000 ] - [ -0.0097219700000000, -0.0003128000000000, 0.0053164700000000 ] - [ -0.0030866400000000, 0.0034791000000000, 0.0015508900000000 ] - [ -0.0004498200000000, 0.0001990400000000, -0.0000425900000000 ] - [ -0.0001467900000000, -0.0000932300000000, -0.0001444900000000 ] - [ 0.0022196000000000, -0.0043702300000000, -0.0047506100000000 ] - [ 0.0001468600000000, -0.0004503700000000, -0.0009376900000000 ] - [ 0.0004575400000000, 0.0000660300000000, -0.0008083100000000 ] - [ 0.0005063000000000, -0.0004363400000000, -0.0006198700000000 ] - [ 0.0000747800000000, 0.0003873000000000, 0.0000513200000000 ] - [ 0.0000861900000000, 0.0004332900000000, 0.0001562200000000 ] - [ -0.0002012300000000, 0.0000974200000000, -0.0001631100000000 ] - [ -0.0001475500000000, 0.0001626700000000, -0.0001027100000000 ] - [ 0.0006324900000000, -0.0004089400000000, 0.0006787100000000 ] - [ 0.0004557000000000, -0.0001124600000000, 0.0002716000000000 ] - [ 0.0002000800000000, -0.0001587300000000, 0.0000018400000000 ] - [ 0.0001972200000000, -0.0001619700000000, 0.0000022700000000 ] - [ 0.0008445700000000, 0.0003065000000000, -0.0000924700000000 ] - [ 0.0000392100000000, -0.0005016000000000, 0.0000538600000000 ] - [ 0.0000168700000000, -0.0004757300000000, -0.0000765000000000 ] - [ 0.0000155900000000, -0.0004743900000000, -0.0000772000000000 ] - [ 0.3265133000000000, -0.0486568600000000, 0.0879230100000000 ] - [ 0.0008327200000000, 0.0001514000000000, 0.0002284500000000 ] - [ 0.0785662700000000, 0.1235984000000000, 0.0356843700000000 ] - [ 0.0006702000000000, 0.0009298700000000, 0.0000117100000000 ] - [ -0.4553209100000000, -0.0848650000000000, -0.1472243100000000 ] - [ -0.0014581200000000, -0.0001447700000000, -0.0003993800000000 ] - [ 0.0055887000000000, 0.0038351900000000, 0.0098938100000000 ] - [ -0.0001317100000000, 0.0010267400000000, 0.0009520100000000 ] - [ -0.0001312500000000, -0.0003134500000000, 0.0006027900000000 ] - [ -0.0001428200000000, -0.0001748500000000, 0.0004893400000000 ] - [ 0.0004024500000000, 0.0001867200000000, -0.0005982800000000 ] - [ 0.0008099800000000, 0.0009965900000000, -0.0013762000000000 ] - [ 0.0000312700000000, -0.0000963300000000, 0.0003915600000000 ] - [ 0.0000805500000000, 0.0000191500000000, 0.0002400700000000 ] - [ 0.0002139500000000, -0.0015344400000000, -0.0013462000000000 ] - [ 0.0030379500000000, 0.0022605900000000, -0.0023044400000000 ] - [ 0.0005736200000000, 0.0000483400000000, -0.0006574100000000 ] - [ 0.0003411400000000, 0.0002271500000000, -0.0003028200000000 ] - [ 0.0000780400000000, -0.0001374700000000, -0.0000568100000000 ] - [ 0.0000746200000000, -0.0000872300000000, -0.0000210100000000 ] - [ 0.0002532900000000, -0.0004324500000000, -0.0009766500000000 ] - [ 0.0000907900000000, -0.0003061400000000, -0.0007954200000000 ] - [ 0.0048362600000000, -0.0020409100000000, -0.0011949200000000 ] - [ 0.0024791500000000, 0.0022718200000000, -0.0015381300000000 ] - [ -0.0004209600000000, -0.0001381600000000, 0.0004795300000000 ] - [ -0.0004049200000000, -0.0001140300000000, 0.0004548100000000 ] - [ 0.0002658200000000, 0.0000993600000000, 0.0000469600000000 ] - [ 0.0000889200000000, 0.0003330900000000, 0.0001274000000000 ] - [ -0.0004201000000000, 0.0002865000000000, 0.0000477200000000 ] - [ -0.0004047300000000, 0.0002868600000000, 0.0000086900000000 ] - [ 0.0035559100000000, -0.0008146900000000, 0.0043098200000000 ] - [ 0.0005105900000000, -0.0000987300000000, -0.0002271300000000 ] - [ 0.0250452000000000, -0.0000992700000000, 0.0181621700000000 ] - [ -0.0001968900000000, 0.0002281900000000, 0.0001252900000000 ] - [ 0.0020489400000000, -0.0005032200000000, -0.0003015000000000 ] - [ 0.0007917600000000, -0.0002139000000000, -0.0000423500000000 ] - [ 0.0002631800000000, -0.0001753400000000, 0.0002905500000000 ] - [ 0.0002340500000000, -0.0001575900000000, 0.0001869400000000 ] - [ -0.0007585900000000, 0.0001544300000000, 0.0014917000000000 ] - [ -0.0000687700000000, 0.0002141200000000, 0.0001447100000000 ] - [ 0.0095131100000000, 0.0156696100000000, 0.0000806800000000 ] - [ 0.0017126900000000, -0.0055464300000000, -0.0012054200000000 ] - [ 0.0000495000000000, -0.0014281300000000, 0.0003624900000000 ] - [ 0.0008306000000000, 0.0028591400000000, 0.0016191700000000 ] - [ -0.0014551000000000, 0.0003552200000000, 0.0007692700000000 ] - [ -0.0006529800000000, 0.0003423000000000, 0.0001141500000000 ] - [ -0.0011783900000000, 0.0004100400000000, 0.0028434400000000 ] - [ 0.0001767600000000, -0.0002241000000000, -0.0002285700000000 ] - [ 0.0000612100000000, -0.0001343600000000, 0.0004096100000000 ] - [ -0.0000054000000000, -0.0001131700000000, 0.0004514300000000 ] - [ -0.0001226400000000, -0.0004402800000000, 0.0001722600000000 ] - [ -0.0000225100000000, 0.0000899400000000, 0.0003135600000000 ] - [ 0.0000266800000000, -0.0003806200000000, 0.0001586500000000 ] - [ -0.0000000900000000, -0.0003988300000000, 0.0001625300000000 ] - [ -0.0003642800000000, -0.0002192300000000, 0.0004165400000000 ] - [ -0.0002960900000000, 0.0000592800000000, 0.0000805600000000 ] - [ 0.0010436200000000, 0.0005599200000000, -0.0041828500000000 ] - [ -0.0006687900000000, -0.0002713600000000, -0.0003998800000000 ] - [ -0.0006397600000000, -0.0001657300000000, -0.0001164600000000 ] - [ -0.0002072100000000, 0.0005725200000000, 0.0000365200000000 ] - [ 0.0010667500000000, 0.0017733000000000, 0.0011379300000000 ] - [ 0.0003571600000000, 0.0001966700000000, 0.0002879100000000 ] - [ 0.0040892200000000, -0.0006158900000000, -0.0004972200000000 ] - [ 0.0020030500000000, -0.0003712400000000, 0.0002957900000000 ] - [ 0.0004985100000000, -0.0004026900000000, -0.0000027800000000 ] - [ 0.0005041100000000, -0.0001769200000000, 0.0000639200000000 ] - [ 0.0002401500000000, -0.0001378200000000, 0.0002581000000000 ] - [ 0.0002403600000000, -0.0001862600000000, 0.0000709300000000 ] - [ 0.0000959800000000, 0.0000980600000000, 0.0000641600000000 ] - [ 0.0000673700000000, -0.0000332400000000, 0.0000086500000000 ] - [ 0.0002613600000000, -0.0000976100000000, 0.0002847500000000 ] - [ 0.0002392700000000, -0.0000915200000000, 0.0002659800000000 ] - [ 0.0014351900000000, 0.0000028800000000, -0.0022453100000000 ] - [ 0.0001832100000000, -0.0007136200000000, -0.0016008500000000 ] - [ -0.0000148600000000, 0.0000837700000000, 0.0002290700000000 ] - [ -0.0001238400000000, 0.0003008900000000, 0.0000916000000000 ]- atom: 57 displacement: [ -0.0099999541101204, 0.0000000000000000, 0.0000302951396548 ] forces: - [ -0.0089935500000000, 0.0016036900000000, -0.0076212400000000 ] - [ -0.0025862200000000, 0.0013434200000000, 0.0012197200000000 ] - [ 0.0047941300000000, -0.0000910300000000, 0.0000917000000000 ] - [ 0.0011301800000000, 0.0003205200000000, 0.0005606500000000 ] - [ 0.0033861300000000, -0.0052016900000000, -0.0014442100000000 ] - [ 0.0019058200000000, 0.0018990800000000, -0.0000933000000000 ] - [ -0.0008842900000000, -0.0009092100000000, -0.0005128700000000 ] - [ -0.0004771800000000, 0.0003825500000000, 0.0000181900000000 ] - [ 0.0001056000000000, -0.0000538100000000, 0.0003806600000000 ] - [ 0.0000852600000000, -0.0000238600000000, 0.0003078000000000 ] - [ 0.0034477000000000, -0.0000461900000000, -0.0030703000000000 ] - [ 0.0005060500000000, 0.0002264000000000, -0.0013755100000000 ] - [ 0.0002410900000000, -0.0011176100000000, 0.0008781500000000 ] - [ 0.0004526300000000, 0.0008342500000000, 0.0009037400000000 ] - [ -0.0002603900000000, -0.0001656000000000, 0.0000307900000000 ] - [ -0.0001596900000000, -0.0000424700000000, -0.0000148700000000 ] - [ -0.0002906400000000, -0.0001624300000000, 0.0001415900000000 ] - [ -0.0008494300000000, 0.0005063500000000, 0.0008820700000000 ] - [ 0.0008962200000000, 0.0001681900000000, 0.0005157000000000 ] - [ 0.0007526900000000, -0.0000746900000000, 0.0000080300000000 ] - [ 0.0002127200000000, 0.0000876100000000, 0.0002710900000000 ] - [ 0.0001434600000000, 0.0000864900000000, 0.0001352200000000 ] - [ 0.0002863400000000, -0.0002557500000000, 0.0006241600000000 ] - [ 0.0000401600000000, 0.0000707800000000, 0.0002340800000000 ] - [ 0.0005862800000000, 0.0072345100000000, 0.0157122500000000 ] - [ 0.0000285400000000, -0.0010332700000000, 0.0001624900000000 ] - [ 0.0010194600000000, -0.0009827900000000, -0.0018510100000000 ] - [ 0.0037707100000000, 0.0001727100000000, -0.0035047300000000 ] - [ 0.0001297100000000, -0.0004543000000000, -0.0003347200000000 ] - [ 0.0000163500000000, -0.0004344400000000, -0.0004286700000000 ] - [ -0.0000204000000000, -0.0000837200000000, 0.0004098700000000 ] - [ -0.0000399300000000, -0.0000675400000000, 0.0003253100000000 ] - [ 0.0096391300000000, 0.0004706200000000, -0.0056402400000000 ] - [ 0.0029707900000000, -0.0032527000000000, -0.0018049700000000 ] - [ 0.0006271700000000, -0.0000182400000000, 0.0002645900000000 ] - [ 0.0003263700000000, 0.0002755300000000, 0.0003678300000000 ] - [ -0.0029794300000000, 0.0044904100000000, 0.0049146500000000 ] - [ -0.0009224800000000, 0.0005812200000000, 0.0010893300000000 ] - [ 0.0003006200000000, -0.0001820000000000, 0.0006770200000000 ] - [ 0.0002666700000000, 0.0003096900000000, 0.0004824700000000 ] - [ -0.0000637000000000, 0.0005474900000000, 0.0000383100000000 ] - [ -0.0000741300000000, 0.0004989800000000, -0.0000668100000000 ] - [ -0.0002235400000000, 0.0002146200000000, 0.0000669000000000 ] - [ -0.0002793100000000, 0.0001492500000000, 0.0000057200000000 ] - [ -0.0010612500000000, 0.0000949400000000, -0.0007766200000000 ] - [ -0.0008832600000000, -0.0001976500000000, -0.0003698900000000 ] - [ 0.0002249700000000, -0.0001519500000000, 0.0000955400000000 ] - [ 0.0002284200000000, -0.0001500400000000, 0.0000943700000000 ] - [ -0.0008335400000000, -0.0012439000000000, 0.0001866000000000 ] - [ -0.0000268800000000, -0.0004307800000000, 0.0000349400000000 ] - [ -0.0000270000000000, -0.0004586400000000, -0.0000124100000000 ] - [ -0.0000281100000000, -0.0004585100000000, -0.0000132000000000 ] - [ -0.3509680900000000, 0.0522962800000000, -0.0978768400000000 ] - [ -0.0004118000000000, 0.0001611100000000, -0.0001326500000000 ] - [ -0.0804438100000000, -0.1205264600000000, -0.0354509500000000 ] - [ -0.0006861000000000, 0.0000024400000000, -0.0001016300000000 ] - [ 0.4816283100000000, 0.0788961200000000, 0.1568289800000000 ] - [ 0.0006943000000000, -0.0003766600000000, 0.0002423500000000 ] - [ -0.0057664200000000, -0.0031855000000000, -0.0094690100000000 ] - [ -0.0000730000000000, -0.0003939300000000, -0.0006073000000000 ] - [ -0.0000311800000000, -0.0000121300000000, -0.0001628400000000 ] - [ -0.0000330800000000, -0.0001489400000000, -0.0000563800000000 ] - [ -0.0002110100000000, 0.0004653500000000, 0.0002469600000000 ] - [ -0.0006228200000000, -0.0003441200000000, 0.0010405000000000 ] - [ -0.0000864300000000, -0.0001184300000000, -0.0002336800000000 ] - [ -0.0001393400000000, -0.0002372400000000, -0.0000881200000000 ] - [ -0.0003871200000000, 0.0018670300000000, 0.0017806100000000 ] - [ -0.0032735000000000, -0.0019858100000000, 0.0027888700000000 ] - [ 0.0001238200000000, 0.0001910500000000, 0.0000338600000000 ] - [ 0.0003544600000000, 0.0000102300000000, -0.0003201600000000 ] - [ 0.0002322900000000, 0.0001256400000000, 0.0000962900000000 ] - [ 0.0002278600000000, 0.0000951600000000, 0.0000796800000000 ] - [ -0.0000867600000000, 0.0001058100000000, 0.0005372200000000 ] - [ 0.0000856600000000, -0.0000171400000000, 0.0003609700000000 ] - [ -0.0043613100000000, 0.0023786100000000, 0.0011477300000000 ] - [ -0.0021031600000000, -0.0019069000000000, 0.0015171600000000 ] - [ -0.0002907900000000, -0.0001113800000000, 0.0001583700000000 ] - [ -0.0002883200000000, -0.0001215600000000, 0.0001656500000000 ] - [ -0.0005570600000000, 0.0002050700000000, -0.0002550400000000 ] - [ -0.0003805100000000, -0.0000292900000000, -0.0003356200000000 ] - [ -0.0003489700000000, 0.0002365700000000, -0.0002025900000000 ] - [ -0.0003683000000000, 0.0002206600000000, -0.0001807400000000 ] - [ -0.0038482300000000, 0.0005189400000000, -0.0045071100000000 ] - [ -0.0008061000000000, -0.0002083900000000, 0.0000212900000000 ] - [ -0.0253032100000000, 0.0003673800000000, -0.0175598900000000 ] - [ 0.0000801200000000, -0.0000292500000000, 0.0004821100000000 ] - [ -0.0021130800000000, 0.0007291900000000, 0.0004650900000000 ] - [ -0.0008429000000000, 0.0004287500000000, 0.0002030700000000 ] - [ 0.0001350600000000, -0.0002089800000000, -0.0003242500000000 ] - [ 0.0001651200000000, -0.0002306800000000, -0.0002193500000000 ] - [ 0.0009292600000000, 0.0001762700000000, -0.0019302300000000 ] - [ 0.0002465000000000, 0.0001110500000000, -0.0005816300000000 ] - [ -0.0103628300000000, -0.0154747800000000, 0.0005949200000000 ] - [ -0.0024808300000000, 0.0058226100000000, 0.0018587000000000 ] - [ -0.0004499700000000, 0.0010366700000000, -0.0003283800000000 ] - [ -0.0012320100000000, -0.0032379700000000, -0.0015820500000000 ] - [ 0.0017706100000000, -0.0003449700000000, -0.0007362900000000 ] - [ 0.0009734200000000, -0.0003501600000000, -0.0000598500000000 ] - [ 0.0018778300000000, -0.0006565700000000, -0.0034865500000000 ] - [ 0.0005214200000000, -0.0000182900000000, -0.0003992000000000 ] - [ -0.0001771100000000, -0.0000684200000000, 0.0001991000000000 ] - [ -0.0001101600000000, -0.0000855200000000, 0.0001565300000000 ] - [ 0.0003079700000000, -0.0002124300000000, -0.0005207600000000 ] - [ 0.0002288100000000, -0.0007281500000000, -0.0006595300000000 ] - [ -0.0002298800000000, -0.0002568300000000, 0.0001818000000000 ] - [ -0.0001814100000000, -0.0002596900000000, 0.0001903400000000 ] - [ 0.0000671300000000, 0.0002107100000000, -0.0004628900000000 ] - [ -0.0000252000000000, -0.0000612000000000, -0.0001276400000000 ] - [ -0.0012994800000000, -0.0005651500000000, 0.0041555600000000 ] - [ 0.0003668200000000, 0.0002685100000000, 0.0003447000000000 ] - [ 0.0014143200000000, 0.0006836500000000, 0.0002796800000000 ] - [ 0.0009792200000000, -0.0000523800000000, 0.0001106900000000 ] - [ -0.0010157700000000, -0.0015556900000000, -0.0012975100000000 ] - [ -0.0003042100000000, 0.0000183200000000, -0.0004436700000000 ] - [ -0.0038177200000000, 0.0009293400000000, 0.0007082000000000 ] - [ -0.0017266300000000, 0.0006686200000000, -0.0000842200000000 ] - [ -0.0004372100000000, 0.0001845200000000, -0.0001497100000000 ] - [ -0.0004518900000000, -0.0000395400000000, -0.0002238700000000 ] - [ 0.0005328200000000, -0.0003742600000000, -0.0000915800000000 ] - [ 0.0005341100000000, -0.0003244400000000, 0.0000973600000000 ] - [ 0.0000191100000000, 0.0001013000000000, -0.0006720900000000 ] - [ 0.0000476700000000, 0.0002315500000000, -0.0006194300000000 ] - [ 0.0000266400000000, -0.0002019300000000, -0.0000750000000000 ] - [ 0.0000558400000000, -0.0002112900000000, -0.0000585500000000 ] - [ -0.0013174700000000, -0.0001853400000000, 0.0016565300000000 ] - [ -0.0000720700000000, 0.0005034900000000, 0.0009981300000000 ] - [ -0.0003841400000000, 0.0003007400000000, -0.0001950300000000 ] - [ -0.0002751100000000, 0.0000845200000000, -0.0000551600000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0011748200000000, 0.0187203000000000, -0.0177980000000000 ] - [ 0.0017534500000000, -0.0036864800000000, -0.0033101000000000 ] - [ -0.0004820000000000, 0.0023864900000000, -0.0012682800000000 ] - [ -0.0002813300000000, -0.0025366000000000, -0.0006798800000000 ] - [ 0.0006169700000000, -0.0001253600000000, 0.0008365300000000 ] - [ -0.0010030600000000, -0.0012653700000000, -0.0019855900000000 ] - [ 0.0006827400000000, 0.0017772100000000, 0.0002895700000000 ] - [ 0.0001282400000000, -0.0009764700000000, 0.0004910200000000 ] - [ 0.0000249100000000, -0.0000178300000000, 0.0002855200000000 ] - [ 0.0000000700000000, -0.0000415300000000, 0.0003027400000000 ] - [ -0.0005086000000000, 0.0022007900000000, 0.0000355600000000 ] - [ 0.0002070500000000, -0.0020030300000000, 0.0006365200000000 ] - [ -0.0001348700000000, 0.0001890700000000, 0.0004210100000000 ] - [ -0.0000605300000000, -0.0001813100000000, -0.0000408300000000 ] - [ -0.0000899400000000, 0.0001123400000000, 0.0000870100000000 ] - [ -0.0000260100000000, -0.0002179700000000, -0.0000399400000000 ] - [ 0.0003256100000000, -0.0007787800000000, 0.0009581600000000 ] - [ -0.0000556300000000, 0.0004220200000000, -0.0003446100000000 ] - [ -0.0000340700000000, -0.0000266200000000, -0.0002129700000000 ] - [ -0.0005147600000000, -0.0001339200000000, 0.0006827900000000 ] - [ 0.0000675900000000, 0.0001497000000000, 0.0000597300000000 ] - [ -0.0000351600000000, -0.0000045200000000, 0.0001139400000000 ] - [ -0.0001315100000000, 0.0001335700000000, 0.0000221200000000 ] - [ 0.0000039300000000, -0.0001220600000000, 0.0000409000000000 ] - [ -0.0009208600000000, 0.0019396900000000, 0.0007118800000000 ] - [ -0.0001985800000000, -0.0013967700000000, -0.0003439600000000 ] - [ 0.0008786000000000, -0.0009667900000000, -0.0026506000000000 ] - [ -0.0033623300000000, 0.0009773900000000, 0.0037350300000000 ] - [ -0.0003493600000000, 0.0001865900000000, 0.0001269300000000 ] - [ -0.0005222200000000, -0.0003500700000000, 0.0006945900000000 ] - [ -0.0001593600000000, 0.0000139600000000, 0.0000637600000000 ] - [ -0.0000900000000000, -0.0001844400000000, 0.0001550600000000 ] - [ -0.0132233000000000, 0.0000538800000000, 0.0096803000000000 ] - [ 0.0071959800000000, 0.0029036700000000, -0.0051017000000000 ] - [ -0.0003135600000000, 0.0004575700000000, 0.0006381600000000 ] - [ 0.0000616000000000, -0.0002596800000000, 0.0002440800000000 ] - [ -0.0020604500000000, 0.0030519000000000, -0.0003986900000000 ] - [ 0.0005618700000000, -0.0020995100000000, 0.0000966400000000 ] - [ 0.0003339900000000, 0.0002560900000000, 0.0004025600000000 ] - [ 0.0004135100000000, -0.0003247600000000, 0.0000187600000000 ] - [ 0.0000369500000000, 0.0003874900000000, 0.0000128700000000 ] - [ 0.0000288600000000, 0.0004766000000000, 0.0002196800000000 ] - [ -0.0002137100000000, 0.0001511500000000, -0.0000747700000000 ] - [ -0.0000706400000000, 0.0001558900000000, 0.0000483600000000 ] - [ -0.0003039800000000, -0.0004259400000000, 0.0009089100000000 ] - [ -0.0001358800000000, -0.0004687700000000, -0.0005743000000000 ] - [ 0.0002762300000000, -0.0001388100000000, 0.0001224700000000 ] - [ 0.0002568400000000, -0.0001660200000000, 0.0000858200000000 ] - [ 0.0005012300000000, 0.0002582000000000, 0.0008034500000000 ] - [ -0.0003225000000000, -0.0010102900000000, 0.0000442800000000 ] - [ -0.0000065800000000, -0.0004588300000000, -0.0000207200000000 ] - [ 0.0000039000000000, -0.0004829800000000, -0.0000095300000000 ] - [ -0.0152667600000000, 0.0505982900000000, -0.0089433500000000 ] - [ 0.0003362700000000, -0.0000397500000000, 0.0000121000000000 ] - [ 0.0905868800000000, 0.3262193800000000, 0.0470536800000000 ] - [ -0.0010735900000000, -0.0014173100000000, -0.0002749200000000 ] - [ -0.0896522100000000, -0.4202634400000000, -0.0179328300000000 ] - [ -0.0002699200000000, 0.0018355600000000, -0.0002505900000000 ] - [ -0.0013197400000000, -0.0026377800000000, -0.0009364600000000 ] - [ -0.0001165800000000, 0.0020975000000000, 0.0009962000000000 ] - [ -0.0000724200000000, -0.0001493700000000, -0.0000193700000000 ] - [ -0.0001120300000000, -0.0000659000000000, 0.0000591900000000 ] - [ -0.0000335000000000, -0.0001093100000000, 0.0005507500000000 ] - [ 0.0006998700000000, 0.0011291200000000, -0.0017648400000000 ] - [ -0.0001219500000000, -0.0002475500000000, -0.0000727500000000 ] - [ -0.0000036400000000, -0.0000171800000000, 0.0000124900000000 ] - [ -0.0011007900000000, 0.0015365700000000, 0.0017887800000000 ] - [ 0.0059260500000000, 0.0024127400000000, -0.0024571600000000 ] - [ 0.0007126000000000, -0.0000632300000000, -0.0009742600000000 ] - [ 0.0003291600000000, 0.0003042000000000, -0.0002989200000000 ] - [ 0.0003209100000000, -0.0000125500000000, -0.0003207100000000 ] - [ 0.0000352800000000, -0.0000742200000000, 0.0000678700000000 ] - [ 0.0000140800000000, -0.0006023900000000, -0.0002810700000000 ] - [ 0.0001521200000000, 0.0001358900000000, -0.0005848900000000 ] - [ -0.0011385000000000, -0.0019947000000000, 0.0006925500000000 ] - [ 0.0032589500000000, 0.0043135500000000, -0.0022858500000000 ] - [ -0.0002674300000000, -0.0001391700000000, 0.0001601000000000 ] - [ -0.0002872200000000, -0.0000765700000000, 0.0001818200000000 ] - [ 0.0000253800000000, -0.0000141800000000, -0.0003274000000000 ] - [ -0.0001483000000000, 0.0002651700000000, -0.0000729900000000 ] - [ -0.0004124300000000, 0.0002125100000000, -0.0002077400000000 ] - [ -0.0004176400000000, 0.0002777300000000, -0.0001912900000000 ] - [ 0.0002319400000000, -0.0005493300000000, -0.0001926700000000 ] - [ -0.0000950000000000, 0.0003558600000000, -0.0002104000000000 ] - [ -0.0013085100000000, -0.0052389100000000, -0.0012479000000000 ] - [ -0.0000803400000000, 0.0011610900000000, 0.0009151500000000 ] - [ 0.0017164200000000, -0.0010961300000000, 0.0000297300000000 ] - [ -0.0003009900000000, 0.0007551600000000, 0.0006056600000000 ] - [ 0.0002417900000000, -0.0002830000000000, -0.0001214400000000 ] - [ 0.0002079400000000, -0.0001386800000000, -0.0001411600000000 ] - [ 0.0001447200000000, -0.0005054200000000, 0.0001086800000000 ] - [ -0.0000447900000000, 0.0006712200000000, -0.0004333700000000 ] - [ 0.0208870600000000, 0.0195815200000000, -0.0000552800000000 ] - [ -0.0107792100000000, 0.0095578900000000, 0.0037617800000000 ] - [ 0.0000120800000000, 0.0004670300000000, -0.0002758200000000 ] - [ -0.0001690600000000, -0.0012499500000000, 0.0004569600000000 ] - [ 0.0005053800000000, -0.0011819800000000, 0.0020038800000000 ] - [ -0.0003415000000000, 0.0004385200000000, -0.0003237400000000 ] - [ 0.0003867200000000, -0.0010310900000000, -0.0003255100000000 ] - [ 0.0003748000000000, 0.0005324100000000, -0.0001742000000000 ] - [ -0.0000064600000000, -0.0000692800000000, -0.0000152200000000 ] - [ -0.0000879400000000, 0.0000132100000000, 0.0001598100000000 ] - [ -0.0000249700000000, -0.0005549800000000, -0.0005485700000000 ] - [ 0.0001600700000000, -0.0002272600000000, -0.0000907000000000 ] - [ -0.0000820500000000, -0.0004199200000000, 0.0001453200000000 ] - [ -0.0000091900000000, -0.0000906000000000, -0.0001263200000000 ] - [ -0.0001436700000000, -0.0001190600000000, -0.0001377400000000 ] - [ -0.0002311700000000, 0.0001864300000000, -0.0001157900000000 ] - [ 0.0039745200000000, -0.0021344800000000, -0.0043503000000000 ] - [ -0.0000238300000000, 0.0008862800000000, 0.0006429600000000 ] - [ -0.0000458800000000, 0.0008132800000000, -0.0017202300000000 ] - [ 0.0007009800000000, 0.0007584500000000, 0.0010219500000000 ] - [ 0.0001141800000000, -0.0006697400000000, 0.0000488400000000 ] - [ 0.0001114900000000, 0.0006391900000000, -0.0001139900000000 ] - [ 0.0037156600000000, -0.0015415500000000, 0.0001288000000000 ] - [ -0.0018937300000000, 0.0009044900000000, 0.0004556000000000 ] - [ 0.0000403500000000, -0.0000149700000000, -0.0003005600000000 ] - [ 0.0000632300000000, -0.0001603700000000, -0.0000262000000000 ] - [ 0.0003162000000000, -0.0002333200000000, 0.0002623900000000 ] - [ 0.0002671300000000, -0.0002323700000000, -0.0001787700000000 ] - [ 0.0000809900000000, 0.0001375400000000, -0.0003810400000000 ] - [ 0.0000000400000000, 0.0001153500000000, -0.0004709100000000 ] - [ 0.0001706400000000, -0.0001764900000000, 0.0000076600000000 ] - [ 0.0001567000000000, -0.0001739200000000, -0.0000063400000000 ] - [ 0.0018014900000000, -0.0008111100000000, -0.0027870900000000 ] - [ -0.0009039600000000, 0.0006666600000000, 0.0017874500000000 ] - [ -0.0000980900000000, -0.0000741000000000, -0.0000478500000000 ] - [ -0.0002192200000000, 0.0004127900000000, -0.0002238700000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011148300000000, -0.0190327000000000, 0.0184710400000000 ] - [ -0.0018987600000000, 0.0038123100000000, 0.0029858200000000 ] - [ 0.0005186400000000, -0.0025119600000000, 0.0010780300000000 ] - [ 0.0003611000000000, 0.0024291000000000, 0.0004963900000000 ] - [ -0.0005621600000000, 0.0001772900000000, -0.0006351000000000 ] - [ 0.0010458100000000, 0.0012728800000000, 0.0021798200000000 ] - [ -0.0005518100000000, -0.0016344400000000, 0.0000410900000000 ] - [ -0.0000016600000000, 0.0011137000000000, -0.0001590000000000 ] - [ 0.0000174200000000, 0.0000078300000000, -0.0001060800000000 ] - [ 0.0000414500000000, 0.0000322800000000, -0.0001232200000000 ] - [ 0.0004437000000000, -0.0022182200000000, -0.0001977400000000 ] - [ -0.0002547000000000, 0.0019967500000000, -0.0008207100000000 ] - [ 0.0000574300000000, -0.0000616200000000, -0.0002398500000000 ] - [ -0.0000191900000000, 0.0002936000000000, 0.0002244000000000 ] - [ -0.0000382800000000, -0.0002471400000000, -0.0004227000000000 ] - [ -0.0001009900000000, 0.0000799800000000, -0.0002949200000000 ] - [ -0.0001957000000000, 0.0006484500000000, -0.0006206300000000 ] - [ 0.0001897000000000, -0.0005556200000000, 0.0006755200000000 ] - [ -0.0000451200000000, -0.0000984000000000, 0.0003983200000000 ] - [ 0.0004358000000000, 0.0000111200000000, -0.0004962800000000 ] - [ 0.0000096600000000, -0.0000255500000000, -0.0002511500000000 ] - [ 0.0001120400000000, 0.0001285600000000, -0.0003038400000000 ] - [ 0.0000873600000000, -0.0001215700000000, -0.0002087000000000 ] - [ -0.0000471500000000, 0.0001325000000000, -0.0002247800000000 ] - [ 0.0011025500000000, -0.0021968500000000, -0.0006172200000000 ] - [ 0.0003887300000000, 0.0012228800000000, 0.0005721600000000 ] - [ -0.0001197800000000, 0.0010780200000000, 0.0025070700000000 ] - [ 0.0041031600000000, -0.0008825900000000, -0.0038873900000000 ] - [ -0.0004148300000000, -0.0003011500000000, 0.0000132400000000 ] - [ -0.0002373300000000, 0.0002384600000000, -0.0005561900000000 ] - [ -0.0000205800000000, -0.0001968000000000, -0.0002930800000000 ] - [ -0.0000926100000000, 0.0000033400000000, -0.0003832700000000 ] - [ 0.0131116200000000, 0.0000876200000000, -0.0099916100000000 ] - [ -0.0073868700000000, -0.0027144000000000, 0.0048887500000000 ] - [ 0.0004929100000000, -0.0002759200000000, -0.0004177500000000 ] - [ 0.0001205500000000, 0.0004394200000000, -0.0000222900000000 ] - [ 0.0013029500000000, -0.0029602900000000, 0.0005142900000000 ] - [ -0.0013206500000000, 0.0022216500000000, 0.0000461100000000 ] - [ 0.0004209200000000, -0.0003671900000000, -0.0005452400000000 ] - [ 0.0003470900000000, 0.0002058800000000, -0.0001610300000000 ] - [ -0.0000204300000000, 0.0005239300000000, 0.0000838500000000 ] - [ -0.0000120800000000, 0.0004348900000000, -0.0001222800000000 ] - [ -0.0002370900000000, 0.0001554400000000, -0.0000272300000000 ] - [ -0.0003803200000000, 0.0001513600000000, -0.0001499400000000 ] - [ -0.0001527200000000, 0.0001152700000000, -0.0010025600000000 ] - [ -0.0003131700000000, 0.0001646500000000, 0.0004765500000000 ] - [ 0.0001739300000000, -0.0001668200000000, -0.0000212600000000 ] - [ 0.0001926800000000, -0.0001405500000000, 0.0000146800000000 ] - [ -0.0004773700000000, -0.0011595500000000, -0.0007003800000000 ] - [ 0.0003392100000000, 0.0001000200000000, 0.0000521400000000 ] - [ -0.0000094800000000, -0.0004524000000000, -0.0000762100000000 ] - [ -0.0000207000000000, -0.0004285800000000, -0.0000877800000000 ] - [ 0.0186394900000000, -0.0507096400000000, 0.0100051200000000 ] - [ 0.0001147200000000, 0.0003449800000000, 0.0000900200000000 ] - [ -0.0797710900000000, -0.3042485700000000, -0.0424530500000000 ] - [ 0.0010597900000000, 0.0023353200000000, 0.0001791200000000 ] - [ 0.0746511200000000, 0.3996984200000000, 0.0109273100000000 ] - [ -0.0004992300000000, -0.0023480400000000, 0.0000651300000000 ] - [ 0.0011723300000000, 0.0032918000000000, 0.0013390800000000 ] - [ -0.0000475200000000, -0.0014464000000000, -0.0006498100000000 ] - [ -0.0001061200000000, -0.0001731600000000, 0.0004507000000000 ] - [ -0.0000784400000000, -0.0002543500000000, 0.0003674200000000 ] - [ 0.0001918600000000, 0.0007711800000000, -0.0009021800000000 ] - [ -0.0005379600000000, -0.0004616800000000, 0.0014131400000000 ] - [ 0.0000488200000000, 0.0000388400000000, 0.0002142400000000 ] - [ -0.0000672000000000, -0.0001894100000000, 0.0001284000000000 ] - [ 0.0009046800000000, -0.0012069100000000, -0.0013600300000000 ] - [ -0.0061779600000000, -0.0021178500000000, 0.0029008100000000 ] - [ -0.0000420500000000, 0.0002923500000000, 0.0003703300000000 ] - [ 0.0003388000000000, -0.0000749600000000, -0.0003027100000000 ] - [ 0.0000017800000000, 0.0000126100000000, 0.0003709200000000 ] - [ 0.0002848100000000, 0.0000912100000000, -0.0000037600000000 ] - [ 0.0001688400000000, 0.0002806200000000, -0.0001476800000000 ] - [ 0.0000337300000000, -0.0004579100000000, 0.0001544600000000 ] - [ 0.0015783100000000, 0.0023677400000000, -0.0007352500000000 ] - [ -0.0028563700000000, -0.0039421000000000, 0.0022741900000000 ] - [ -0.0004118600000000, -0.0000962700000000, 0.0004536700000000 ] - [ -0.0003823700000000, -0.0001500000000000, 0.0004224600000000 ] - [ -0.0003232700000000, 0.0003197000000000, 0.0001212100000000 ] - [ -0.0001482700000000, 0.0000414500000000, -0.0001335400000000 ] - [ -0.0003579800000000, 0.0002978200000000, 0.0000253400000000 ] - [ -0.0003545400000000, 0.0002238900000000, -0.0000028900000000 ] - [ -0.0005058000000000, 0.0002417500000000, 0.0000216800000000 ] - [ -0.0002039600000000, -0.0006598400000000, 0.0000004800000000 ] - [ 0.0013898500000000, 0.0053996000000000, 0.0019846100000000 ] - [ -0.0000481000000000, -0.0009750800000000, -0.0003233000000000 ] - [ -0.0017829200000000, 0.0013096400000000, 0.0001100900000000 ] - [ 0.0002274100000000, -0.0005447100000000, -0.0004670800000000 ] - [ 0.0001765600000000, -0.0001000700000000, 0.0000944200000000 ] - [ 0.0002095900000000, -0.0002433800000000, 0.0001141200000000 ] - [ 0.0000375100000000, 0.0008292800000000, -0.0005261700000000 ] - [ 0.0002332100000000, -0.0003452700000000, -0.0000001600000000 ] - [ -0.0215744000000000, -0.0192965600000000, 0.0007378700000000 ] - [ 0.0102213700000000, -0.0094548700000000, -0.0031580400000000 ] - [ -0.0004330900000000, -0.0008612200000000, 0.0003083400000000 ] - [ -0.0002448800000000, 0.0008903100000000, -0.0004199200000000 ] - [ -0.0001794600000000, 0.0011879900000000, -0.0019439600000000 ] - [ 0.0006736300000000, -0.0004360500000000, 0.0003789400000000 ] - [ 0.0002794400000000, 0.0007999000000000, -0.0002617700000000 ] - [ 0.0002943300000000, -0.0007629800000000, -0.0004315800000000 ] - [ -0.0001200900000000, -0.0001208600000000, 0.0006113900000000 ] - [ -0.0000374700000000, -0.0001968100000000, 0.0004358400000000 ] - [ 0.0001837500000000, -0.0001107100000000, 0.0001954900000000 ] - [ 0.0000038400000000, -0.0004253500000000, -0.0002553400000000 ] - [ -0.0000840800000000, -0.0002348600000000, 0.0002041300000000 ] - [ -0.0001472200000000, -0.0005746500000000, 0.0004823900000000 ] - [ -0.0001715200000000, 0.0001211100000000, 0.0000866300000000 ] - [ -0.0001012200000000, -0.0001763800000000, 0.0000599900000000 ] - [ -0.0042856800000000, 0.0021439000000000, 0.0042791600000000 ] - [ -0.0002972300000000, -0.0008983900000000, -0.0007047900000000 ] - [ 0.0008145800000000, -0.0003059200000000, 0.0018944500000000 ] - [ 0.0000661700000000, -0.0002492900000000, -0.0008441100000000 ] - [ -0.0000387300000000, 0.0008861800000000, -0.0001848500000000 ] - [ -0.0000429200000000, -0.0004333200000000, -0.0000236100000000 ] - [ -0.0034146200000000, 0.0018524600000000, 0.0000753400000000 ] - [ 0.0022080100000000, -0.0006065200000000, -0.0002463400000000 ] - [ 0.0000350800000000, -0.0001968100000000, 0.0001631200000000 ] - [ 0.0000113700000000, -0.0000482000000000, -0.0001112900000000 ] - [ 0.0004550400000000, -0.0002680500000000, -0.0000687800000000 ] - [ 0.0005054100000000, -0.0002680300000000, 0.0003722800000000 ] - [ 0.0000444000000000, 0.0000478000000000, -0.0002117200000000 ] - [ 0.0001262700000000, 0.0000710300000000, -0.0001229700000000 ] - [ 0.0001273500000000, -0.0001267200000000, 0.0002036900000000 ] - [ 0.0001474200000000, -0.0001294300000000, 0.0002159900000000 ] - [ -0.0016673700000000, 0.0006378400000000, 0.0022029900000000 ] - [ 0.0010306600000000, -0.0008585800000000, -0.0023971800000000 ] - [ -0.0003194200000000, 0.0004568000000000, 0.0000776200000000 ] - [ -0.0001989700000000, -0.0000262200000000, 0.0002578500000000 ]- atom: 57 displacement: [ -0.0009337289454915, 0.0000000000000000, 0.0099563120811047 ] forces: - [ 0.0029202000000000, -0.0150774700000000, 0.0276140200000000 ] - [ -0.0003950400000000, -0.0008564500000000, 0.0015521800000000 ] - [ -0.0011865400000000, -0.0005457900000000, 0.0035941900000000 ] - [ 0.0000800500000000, 0.0001318800000000, 0.0011099700000000 ] - [ -0.0005341400000000, 0.0021311900000000, 0.0025983800000000 ] - [ 0.0002550800000000, -0.0002339200000000, 0.0026583300000000 ] - [ 0.0005772000000000, -0.0019277800000000, -0.0020446400000000 ] - [ -0.0001321800000000, 0.0008264400000000, -0.0002648800000000 ] - [ -0.0000638000000000, 0.0000292700000000, -0.0009647600000000 ] - [ 0.0000037000000000, 0.0001951500000000, -0.0008905900000000 ] - [ 0.0017403200000000, -0.0003756700000000, -0.0003401100000000 ] - [ -0.0000226400000000, 0.0001656000000000, 0.0004694200000000 ] - [ -0.0001912300000000, 0.0007996100000000, -0.0005068800000000 ] - [ -0.0002113900000000, -0.0004231500000000, -0.0003548300000000 ] - [ 0.0000876000000000, -0.0000272100000000, -0.0012380900000000 ] - [ 0.0000062000000000, -0.0001811700000000, -0.0010672700000000 ] - [ -0.0000979000000000, 0.0008808100000000, -0.0010829100000000 ] - [ 0.0002278500000000, -0.0008918900000000, -0.0016719900000000 ] - [ -0.0004609000000000, -0.0004906400000000, -0.0005451200000000 ] - [ 0.0003767700000000, 0.0002249100000000, -0.0006844200000000 ] - [ 0.0000571000000000, -0.0000088900000000, -0.0011820200000000 ] - [ 0.0000512000000000, 0.0000150200000000, -0.0009785500000000 ] - [ -0.0002089300000000, 0.0002842000000000, -0.0014221400000000 ] - [ -0.0000088900000000, -0.0000582100000000, -0.0008007300000000 ] - [ -0.0034931100000000, -0.0033429900000000, -0.0034983500000000 ] - [ -0.0001964700000000, 0.0007534800000000, 0.0013810700000000 ] - [ 0.0005520500000000, -0.0004825800000000, 0.0013588200000000 ] - [ 0.0072807100000000, 0.0058275300000000, 0.0037266700000000 ] - [ 0.0000308900000000, -0.0005174100000000, -0.0019416900000000 ] - [ -0.0001737800000000, 0.0005403400000000, -0.0008024700000000 ] - [ 0.0000614400000000, -0.0001993500000000, -0.0015366500000000 ] - [ 0.0000315400000000, -0.0000500200000000, -0.0015235500000000 ] - [ 0.0006215800000000, 0.0019585400000000, 0.0037667900000000 ] - [ -0.0013292500000000, -0.0028838700000000, 0.0035474600000000 ] - [ 0.0007754300000000, -0.0001509300000000, -0.0016595100000000 ] - [ 0.0001005200000000, 0.0002339400000000, -0.0009863900000000 ] - [ -0.0002713000000000, -0.0033589300000000, -0.0039074900000000 ] - [ -0.0007053800000000, 0.0011632200000000, 0.0000962800000000 ] - [ 0.0001971300000000, 0.0000383100000000, -0.0019652000000000 ] - [ 0.0003554600000000, -0.0003056100000000, -0.0015361200000000 ] - [ 0.0000927300000000, 0.0003476700000000, -0.0000065900000000 ] - [ -0.0000347300000000, 0.0006440000000000, -0.0003218100000000 ] - [ -0.0004345500000000, 0.0000869600000000, -0.0003468800000000 ] - [ -0.0004827000000000, 0.0001874600000000, -0.0003048000000000 ] - [ 0.0008855800000000, 0.0007407600000000, -0.0006200600000000 ] - [ 0.0004165800000000, -0.0006621600000000, 0.0000020300000000 ] - [ -0.0000492100000000, -0.0001744500000000, -0.0002571600000000 ] - [ 0.0000241400000000, -0.0001684500000000, -0.0001818100000000 ] - [ -0.0004652900000000, 0.0000420300000000, -0.0015414000000000 ] - [ -0.0003018400000000, -0.0007483600000000, 0.0001136200000000 ] - [ 0.0000033500000000, -0.0004679800000000, -0.0002173000000000 ] - [ 0.0000128300000000, -0.0004738000000000, -0.0002010300000000 ] - [ 0.0698472500000000, -0.0160303900000000, 0.0334146500000000 ] - [ 0.0004263600000000, 0.0001763100000000, 0.0004374400000000 ] - [ 0.0237008800000000, 0.0379765600000000, 0.0249825800000000 ] - [ 0.0002104300000000, 0.0007089900000000, 0.0002216900000000 ] - [ -0.1089392900000000, -0.0043942400000000, -0.0946338900000000 ] - [ -0.0005984300000000, -0.0004183000000000, -0.0007415800000000 ] - [ 0.0071438500000000, 0.0035489400000000, 0.0061553200000000 ] - [ 0.0001673900000000, -0.0000693400000000, -0.0005086200000000 ] - [ -0.0000694800000000, -0.0005004000000000, 0.0013259200000000 ] - [ -0.0000761000000000, -0.0003870900000000, 0.0011397600000000 ] - [ -0.0001281100000000, 0.0011564300000000, -0.0006027300000000 ] - [ -0.0011019300000000, -0.0015803800000000, 0.0003606700000000 ] - [ 0.0002394200000000, 0.0000379700000000, 0.0007332900000000 ] - [ 0.0001863900000000, 0.0000650700000000, 0.0005580100000000 ] - [ -0.0005327100000000, 0.0002442800000000, -0.0012686900000000 ] - [ -0.0020423900000000, -0.0018163900000000, -0.0024541800000000 ] - [ -0.0005033500000000, 0.0001494700000000, 0.0011530500000000 ] - [ 0.0001289500000000, 0.0000657400000000, 0.0000830300000000 ] - [ -0.0001921000000000, -0.0000969600000000, 0.0006072700000000 ] - [ 0.0001471900000000, 0.0003908000000000, 0.0007341900000000 ] - [ -0.0004569500000000, 0.0005407500000000, 0.0012054400000000 ] - [ -0.0001575100000000, -0.0003108500000000, 0.0000475300000000 ] - [ -0.0005246300000000, 0.0015417200000000, -0.0022260300000000 ] - [ 0.0003259100000000, -0.0001699900000000, -0.0011566900000000 ] - [ -0.0007132500000000, -0.0001309100000000, 0.0010222600000000 ] - [ -0.0006866500000000, -0.0001360100000000, 0.0010131200000000 ] - [ -0.0001953500000000, 0.0001941000000000, 0.0004911600000000 ] - [ -0.0000741500000000, 0.0003589000000000, 0.0003372000000000 ] - [ -0.0002466000000000, 0.0003655000000000, 0.0004612800000000 ] - [ -0.0002866100000000, 0.0003349600000000, 0.0003281500000000 ] - [ 0.0010161600000000, -0.0004681600000000, 0.0010050900000000 ] - [ 0.0000001400000000, -0.0001681700000000, -0.0003321000000000 ] - [ 0.0105033700000000, -0.0002243900000000, 0.0019096700000000 ] - [ -0.0001693500000000, -0.0003046000000000, -0.0007735800000000 ] - [ -0.0020274600000000, 0.0002252800000000, -0.0011947100000000 ] - [ -0.0004423500000000, 0.0003281400000000, -0.0004750200000000 ] - [ 0.0001977600000000, -0.0000938900000000, 0.0008143900000000 ] - [ 0.0001988900000000, -0.0001738800000000, 0.0006273900000000 ] - [ 0.0000661400000000, 0.0000743200000000, 0.0013207100000000 ] - [ 0.0001839800000000, -0.0000644900000000, 0.0001263500000000 ] - [ 0.0008716500000000, 0.0004540200000000, -0.0045408900000000 ] - [ 0.0025340500000000, -0.0019950200000000, -0.0036335000000000 ] - [ -0.0001102000000000, -0.0009417000000000, -0.0003446300000000 ] - [ 0.0004604200000000, 0.0016492800000000, -0.0002824300000000 ] - [ 0.0006796300000000, 0.0015724300000000, 0.0008756900000000 ] - [ 0.0004692200000000, -0.0000045500000000, -0.0005249800000000 ] - [ 0.0020906600000000, 0.0006430400000000, 0.0014120200000000 ] - [ 0.0008789300000000, -0.0003333700000000, -0.0006229000000000 ] - [ -0.0000659400000000, -0.0003969000000000, 0.0014670300000000 ] - [ 0.0000529200000000, -0.0002984700000000, 0.0010590400000000 ] - [ 0.0001913700000000, -0.0001608800000000, 0.0007151100000000 ] - [ 0.0001154500000000, 0.0002388900000000, 0.0006131700000000 ] - [ -0.0003014000000000, -0.0006240500000000, 0.0011558900000000 ] - [ -0.0002058400000000, -0.0006648200000000, 0.0008157200000000 ] - [ -0.0000899800000000, -0.0003661900000000, 0.0008862000000000 ] - [ -0.0000865900000000, -0.0001325100000000, 0.0004576500000000 ] - [ -0.0105852200000000, -0.0029265200000000, 0.0079226500000000 ] - [ -0.0003123200000000, -0.0001043800000000, -0.0004509300000000 ] - [ 0.0002869800000000, -0.0015040200000000, 0.0021330500000000 ] - [ 0.0003957100000000, 0.0011480700000000, 0.0003406200000000 ] - [ 0.0013194500000000, 0.0017808100000000, 0.0007773500000000 ] - [ -0.0000160700000000, -0.0003064800000000, -0.0000600500000000 ] - [ 0.0002851200000000, 0.0004324900000000, -0.0014742000000000 ] - [ 0.0002445600000000, 0.0006288200000000, -0.0009734400000000 ] - [ 0.0001687100000000, -0.0003780200000000, 0.0002843400000000 ] - [ -0.0000942200000000, 0.0000960100000000, 0.0003779200000000 ] - [ 0.0003850800000000, 0.0000196100000000, 0.0005499500000000 ] - [ 0.0005724500000000, -0.0004169100000000, 0.0005668700000000 ] - [ 0.0001800000000000, 0.0000004900000000, 0.0005585200000000 ] - [ 0.0001808700000000, -0.0002419800000000, 0.0005846000000000 ] - [ 0.0002446500000000, 0.0000247300000000, 0.0006953800000000 ] - [ 0.0001912700000000, 0.0000042600000000, 0.0007086200000000 ] - [ -0.0012632800000000, -0.0017459600000000, -0.0020514300000000 ] - [ -0.0000410800000000, 0.0001110800000000, -0.0018661600000000 ] - [ -0.0003183200000000, 0.0004975100000000, 0.0007590900000000 ] - [ -0.0002084500000000, 0.0001326200000000, 0.0006671900000000 ]- atom: 57 displacement: [ 0.0009337289454915, 0.0000000000000000, -0.0099563120811047 ] forces: - [ -0.0026645400000000, 0.0139526600000000, -0.0268134500000000 ] - [ 0.0002592400000000, 0.0009722900000000, -0.0018717000000000 ] - [ 0.0012580400000000, 0.0004291300000000, -0.0037826100000000 ] - [ 0.0000040900000000, -0.0002442400000000, -0.0013069900000000 ] - [ 0.0005834900000000, -0.0021029200000000, -0.0024221700000000 ] - [ -0.0002082300000000, 0.0002448600000000, -0.0024876800000000 ] - [ -0.0004557100000000, 0.0020476600000000, 0.0023677500000000 ] - [ 0.0002452300000000, -0.0006999800000000, 0.0006001100000000 ] - [ 0.0001042000000000, -0.0000371100000000, 0.0011375200000000 ] - [ 0.0000365300000000, -0.0002021800000000, 0.0010636700000000 ] - [ -0.0017929800000000, 0.0003666600000000, 0.0001560100000000 ] - [ -0.0000192000000000, -0.0001776000000000, -0.0006510400000000 ] - [ 0.0001160500000000, -0.0006808200000000, 0.0007017600000000 ] - [ 0.0001343000000000, 0.0005367100000000, 0.0005515800000000 ] - [ -0.0002085600000000, -0.0000980100000000, 0.0009060000000000 ] - [ -0.0001267600000000, 0.0000552100000000, 0.0007370700000000 ] - [ 0.0002192000000000, -0.0010048100000000, 0.0014206100000000 ] - [ -0.0001065100000000, 0.0007776900000000, 0.0020081200000000 ] - [ 0.0003820100000000, 0.0003677000000000, 0.0007449600000000 ] - [ -0.0004513000000000, -0.0003438200000000, 0.0008848500000000 ] - [ 0.0000224400000000, 0.0001313800000000, 0.0009802700000000 ] - [ 0.0000263600000000, 0.0001062900000000, 0.0007779300000000 ] - [ 0.0001688500000000, -0.0002751300000000, 0.0012471700000000 ] - [ -0.0000304700000000, 0.0000655800000000, 0.0006286700000000 ] - [ 0.0036926500000000, 0.0031172200000000, 0.0036439700000000 ] - [ 0.0003625500000000, -0.0009444100000000, -0.0011547500000000 ] - [ 0.0002085900000000, 0.0005762400000000, -0.0015035200000000 ] - [ -0.0065136100000000, -0.0056975400000000, -0.0038347600000000 ] - [ -0.0007945100000000, 0.0004170100000000, 0.0020930800000000 ] - [ -0.0005882200000000, -0.0006451200000000, 0.0009482500000000 ] - [ -0.0002181000000000, 0.0000074600000000, 0.0013036900000000 ] - [ -0.0001913700000000, -0.0001417800000000, 0.0012931600000000 ] - [ -0.0007227500000000, -0.0017769700000000, -0.0040648400000000 ] - [ 0.0011891600000000, 0.0030627600000000, -0.0037900600000000 ] - [ -0.0006142300000000, 0.0003424300000000, 0.0018853000000000 ] - [ 0.0000590700000000, -0.0000428200000000, 0.0012165300000000 ] - [ -0.0004927900000000, 0.0034636000000000, 0.0040556100000000 ] - [ -0.0000395600000000, -0.0010670500000000, 0.0000643800000000 ] - [ 0.0005623900000000, -0.0001403900000000, 0.0018187900000000 ] - [ 0.0004070000000000, 0.0002008100000000, 0.0013870400000000 ] - [ -0.0000742800000000, 0.0005427200000000, 0.0001128900000000 ] - [ 0.0000517200000000, 0.0002493500000000, 0.0004267000000000 ] - [ -0.0000350800000000, 0.0002150500000000, 0.0002455600000000 ] - [ 0.0000140100000000, 0.0001151900000000, 0.0002044200000000 ] - [ -0.0013704300000000, -0.0010520000000000, 0.0005229000000000 ] - [ -0.0008876100000000, 0.0003609200000000, -0.0001050400000000 ] - [ 0.0005157700000000, -0.0001277800000000, 0.0003569700000000 ] - [ 0.0004450500000000, -0.0001336100000000, 0.0002820100000000 ] - [ 0.0004933600000000, -0.0009338700000000, 0.0016664500000000 ] - [ 0.0003198300000000, -0.0001445100000000, -0.0000087700000000 ] - [ -0.0000207600000000, -0.0004250000000000, 0.0001115000000000 ] - [ -0.0000308300000000, -0.0004168600000000, 0.0000943200000000 ] - [ -0.0678798500000000, 0.0154991200000000, -0.0312446000000000 ] - [ 0.0000383700000000, 0.0001252500000000, -0.0003387000000000 ] - [ -0.0239743500000000, -0.0399112400000000, -0.0262465800000000 ] - [ -0.0002300300000000, 0.0001818900000000, -0.0003290600000000 ] - [ 0.1065234700000000, 0.0088930900000000, 0.0922213900000000 ] - [ -0.0002013200000000, -0.0000380400000000, 0.0005639000000000 ] - [ -0.0072038600000000, -0.0028685100000000, -0.0057352800000000 ] - [ -0.0003205700000000, 0.0007417800000000, 0.0008547400000000 ] - [ -0.0001223800000000, 0.0001878200000000, -0.0008974700000000 ] - [ -0.0001166600000000, 0.0000759300000000, -0.0007126800000000 ] - [ 0.0002800000000000, -0.0004773800000000, 0.0002494900000000 ] - [ 0.0012470600000000, 0.0022389300000000, -0.0007083000000000 ] - [ -0.0003336600000000, -0.0002666400000000, -0.0005902600000000 ] - [ -0.0002810900000000, -0.0002929600000000, -0.0004138200000000 ] - [ 0.0003397200000000, 0.0000708800000000, 0.0016942000000000 ] - [ 0.0018663900000000, 0.0021270400000000, 0.0028768100000000 ] - [ 0.0012479000000000, 0.0000663800000000, -0.0018138700000000 ] - [ 0.0006165100000000, 0.0001514200000000, -0.0007477900000000 ] - [ 0.0005055500000000, 0.0001032800000000, -0.0005623300000000 ] - [ 0.0001685400000000, -0.0003931200000000, -0.0006938100000000 ] - [ 0.0006574400000000, -0.0008541600000000, -0.0016367600000000 ] - [ 0.0003496500000000, 0.0000016100000000, -0.0004731300000000 ] - [ 0.0009257200000000, -0.0011175200000000, 0.0022039300000000 ] - [ 0.0000775100000000, 0.0005765400000000, 0.0011485600000000 ] - [ -0.0000366400000000, -0.0000825000000000, -0.0003564300000000 ] - [ -0.0000591000000000, -0.0000802800000000, -0.0003490300000000 ] - [ -0.0001346100000000, 0.0000852400000000, -0.0007292100000000 ] - [ -0.0002543300000000, -0.0000782700000000, -0.0005756300000000 ] - [ -0.0005562700000000, 0.0000892900000000, -0.0006419300000000 ] - [ -0.0005167600000000, 0.0001195700000000, -0.0005046900000000 ] - [ -0.0013389000000000, 0.0001883600000000, -0.0012202200000000 ] - [ -0.0003297000000000, -0.0001114900000000, 0.0000975300000000 ] - [ -0.0105507600000000, 0.0004680100000000, -0.0011260400000000 ] - [ 0.0000580400000000, 0.0005304300000000, 0.0014561500000000 ] - [ 0.0019262100000000, 0.0000017900000000, 0.0013312100000000 ] - [ 0.0003467700000000, -0.0000969000000000, 0.0006208600000000 ] - [ 0.0002187900000000, -0.0003248300000000, -0.0008357500000000 ] - [ 0.0002165100000000, -0.0002456100000000, -0.0006485200000000 ] - [ 0.0001228000000000, 0.0002359000000000, -0.0017448600000000 ] - [ 0.0000030600000000, 0.0003805000000000, -0.0005627000000000 ] - [ -0.0017177300000000, -0.0003140800000000, 0.0052103100000000 ] - [ -0.0032913000000000, 0.0022003800000000, 0.0043041500000000 ] - [ -0.0003088400000000, 0.0005205600000000, 0.0003680000000000 ] - [ -0.0008787000000000, -0.0020596700000000, 0.0003126100000000 ] - [ -0.0003605500000000, -0.0015653600000000, -0.0008194400000000 ] - [ -0.0001639000000000, 0.0000359300000000, 0.0005439000000000 ] - [ -0.0013809200000000, -0.0008589800000000, -0.0020713800000000 ] - [ -0.0001365800000000, 0.0001201600000000, -0.0000396400000000 ] - [ -0.0000442600000000, 0.0001718400000000, -0.0007834700000000 ] - [ -0.0001624500000000, 0.0000740400000000, -0.0003771000000000 ] - [ -0.0000450400000000, -0.0005076400000000, -0.0010628000000000 ] - [ 0.0000301200000000, -0.0009144800000000, -0.0009632400000000 ] - [ 0.0001536100000000, -0.0000494200000000, -0.0008076400000000 ] - [ 0.0000549300000000, -0.0000034600000000, -0.0004703100000000 ] - [ -0.0002205000000000, 0.0003752200000000, -0.0009391200000000 ] - [ -0.0002223400000000, 0.0001377700000000, -0.0005059800000000 ] - [ 0.0101773500000000, 0.0028806700000000, -0.0078593400000000 ] - [ 0.0000029000000000, 0.0001032200000000, 0.0004038400000000 ] - [ 0.0005176000000000, 0.0019760100000000, -0.0019775200000000 ] - [ 0.0004092100000000, -0.0007005200000000, -0.0001552500000000 ] - [ -0.0012216100000000, -0.0015460700000000, -0.0009245100000000 ] - [ 0.0001027900000000, 0.0005311300000000, -0.0000908900000000 ] - [ 0.0000321700000000, -0.0001497300000000, 0.0017127100000000 ] - [ 0.0000827000000000, -0.0003456600000000, 0.0012094100000000 ] - [ -0.0000732600000000, 0.0001486400000000, -0.0004279900000000 ] - [ 0.0001874300000000, -0.0003235100000000, -0.0005244900000000 ] - [ 0.0004190800000000, -0.0004721100000000, -0.0003723700000000 ] - [ 0.0002319400000000, -0.0000397600000000, -0.0003912200000000 ] - [ -0.0000699300000000, 0.0002235900000000, -0.0012369400000000 ] - [ -0.0000706800000000, 0.0004656100000000, -0.0012646700000000 ] - [ 0.0000834400000000, -0.0003024500000000, -0.0004591900000000 ] - [ 0.0001367200000000, -0.0002829200000000, -0.0004717700000000 ] - [ 0.0013802100000000, 0.0015297400000000, 0.0013882900000000 ] - [ 0.0001520500000000, -0.0003314800000000, 0.0011962100000000 ] - [ -0.0000969900000000, -0.0000798100000000, -0.0007361600000000 ] - [ -0.0002065300000000, 0.0002837900000000, -0.0006464800000000 ]- atom: 59 displacement: [ 0.0099999541101204, 0.0000000000000000, -0.0000302951396548 ] forces: - [ 0.0204078200000000, 0.0116652500000000, 0.0033156800000000 ] - [ 0.0005325200000000, 0.0033823800000000, -0.0039230300000000 ] - [ 0.0470251500000000, 0.0081300300000000, -0.0300468400000000 ] - [ 0.0004437000000000, -0.0001821300000000, -0.0006182700000000 ] - [ -0.0025486900000000, -0.0002469200000000, 0.0004292000000000 ] - [ -0.0007631800000000, 0.0002162300000000, 0.0001269300000000 ] - [ -0.0049537300000000, -0.0003911700000000, 0.0024862700000000 ] - [ -0.0010753000000000, 0.0001215500000000, 0.0005982000000000 ] - [ 0.0000800400000000, -0.0000773800000000, -0.0001046400000000 ] - [ 0.0001142200000000, -0.0000694000000000, 0.0000347600000000 ] - [ 0.0002986600000000, -0.0006087300000000, 0.0014735200000000 ] - [ -0.0000771000000000, 0.0000552300000000, 0.0003338600000000 ] - [ -0.0001209000000000, 0.0000146600000000, 0.0004552500000000 ] - [ -0.0001177900000000, 0.0000538500000000, 0.0003497600000000 ] - [ -0.0001247300000000, -0.0000499300000000, 0.0001873300000000 ] - [ -0.0001135000000000, -0.0000694900000000, 0.0001124400000000 ] - [ 0.0000552700000000, -0.0000186400000000, 0.0002941000000000 ] - [ 0.0001232200000000, -0.0000853400000000, 0.0002519600000000 ] - [ -0.0049186500000000, -0.0014967300000000, -0.0024344700000000 ] - [ -0.0005788500000000, 0.0009519400000000, -0.0010964800000000 ] - [ 0.0001065100000000, -0.0000690800000000, 0.0003591100000000 ] - [ 0.0000637600000000, 0.0000966400000000, 0.0001820000000000 ] - [ 0.0030715700000000, -0.0015757100000000, 0.0014416400000000 ] - [ 0.0008612200000000, -0.0002307500000000, -0.0003938400000000 ] - [ -0.0008365500000000, -0.0001959200000000, -0.0000650300000000 ] - [ -0.0002502300000000, -0.0004925800000000, 0.0000649600000000 ] - [ -0.0027608500000000, -0.0006729700000000, -0.0005938100000000 ] - [ -0.0118781700000000, 0.0010129000000000, -0.0033087900000000 ] - [ -0.0004636800000000, -0.0000124500000000, 0.0007873400000000 ] - [ -0.0003471200000000, -0.0000783900000000, 0.0005923500000000 ] - [ -0.0000022400000000, 0.0006355200000000, 0.0005390700000000 ] - [ 0.0000634900000000, -0.0003457600000000, 0.0007096700000000 ] - [ 0.0064738600000000, -0.0026849200000000, 0.0013722200000000 ] - [ 0.0037965500000000, 0.0052747800000000, -0.0016126900000000 ] - [ -0.0016191300000000, 0.0007064100000000, 0.0001095800000000 ] - [ -0.0013692700000000, -0.0001899100000000, -0.0000443000000000 ] - [ 0.0653554200000000, -0.0213541400000000, -0.0277219100000000 ] - [ 0.0044610500000000, -0.0005975200000000, 0.0007680200000000 ] - [ 0.0004365500000000, 0.0000651000000000, 0.0001980000000000 ] - [ 0.0004082000000000, -0.0000182100000000, 0.0001908900000000 ] - [ -0.0004744300000000, 0.0009679600000000, 0.0000796600000000 ] - [ -0.0002852600000000, 0.0004399700000000, 0.0001788000000000 ] - [ 0.0000501800000000, 0.0004912900000000, 0.0005590100000000 ] - [ -0.0002377900000000, 0.0000215300000000, 0.0001370800000000 ] - [ 0.0002203000000000, -0.0001208900000000, -0.0000149000000000 ] - [ 0.0000569600000000, -0.0002037700000000, -0.0000173000000000 ] - [ 0.0000918900000000, -0.0001662000000000, 0.0000781700000000 ] - [ 0.0001163900000000, -0.0001421900000000, 0.0000744400000000 ] - [ -0.0000352000000000, -0.0004070700000000, -0.0000859900000000 ] - [ -0.0000293900000000, -0.0004807500000000, 0.0000537500000000 ] - [ -0.0000182000000000, -0.0004761400000000, 0.0000299200000000 ] - [ -0.0000409300000000, -0.0003829000000000, 0.0000230700000000 ] - [ -0.0025372200000000, -0.0001726700000000, 0.0006522500000000 ] - [ 0.0000241500000000, 0.0001693400000000, -0.0000943900000000 ] - [ 0.0012696800000000, 0.0025526600000000, -0.0014823600000000 ] - [ 0.0000730100000000, 0.0004426300000000, -0.0001651100000000 ] - [ 0.0052528400000000, -0.0014927800000000, 0.0075776100000000 ] - [ -0.0004312000000000, -0.0002937700000000, 0.0001598300000000 ] - [ -0.1598310900000000, 0.0055420100000000, 0.0657179800000000 ] - [ -0.0016531100000000, 0.0002435800000000, 0.0004383800000000 ] - [ -0.0000610400000000, -0.0001438600000000, 0.0001097700000000 ] - [ -0.0000832600000000, -0.0001176000000000, 0.0000879600000000 ] - [ 0.0022834500000000, 0.0004266600000000, -0.0003168700000000 ] - [ 0.0022904300000000, -0.0003525800000000, 0.0004942400000000 ] - [ -0.0001405400000000, -0.0001577800000000, -0.0000919600000000 ] - [ -0.0000928000000000, -0.0001364300000000, -0.0000484400000000 ] - [ 0.0012420400000000, 0.0003281300000000, 0.0008828000000000 ] - [ 0.0028977200000000, -0.0000131200000000, 0.0005502200000000 ] - [ 0.0014186800000000, 0.0001094300000000, -0.0008205800000000 ] - [ 0.0010716700000000, -0.0000632400000000, -0.0004822100000000 ] - [ 0.0001216200000000, -0.0000674900000000, -0.0001449500000000 ] - [ 0.0001319300000000, -0.0000970900000000, -0.0001895000000000 ] - [ -0.0000406500000000, -0.0003171300000000, -0.0008529800000000 ] - [ 0.0000535400000000, -0.0002671000000000, -0.0005860200000000 ] - [ -0.0000927300000000, -0.0035727200000000, -0.0048416700000000 ] - [ -0.0007396300000000, 0.0010814800000000, -0.0000866800000000 ] - [ -0.0002295200000000, -0.0002343800000000, 0.0000757100000000 ] - [ -0.0002417900000000, -0.0000452400000000, 0.0000131000000000 ] - [ -0.0002537600000000, 0.0002502900000000, 0.0007718300000000 ] - [ 0.0005150700000000, 0.0013524600000000, 0.0009073700000000 ] - [ -0.0002754400000000, 0.0002520000000000, -0.0003040100000000 ] - [ -0.0003030600000000, 0.0001876700000000, -0.0002147200000000 ] - [ 0.0003869600000000, -0.0001432400000000, -0.0002203200000000 ] - [ -0.0000139900000000, -0.0000860800000000, -0.0001942900000000 ] - [ 0.0016448800000000, -0.0000935200000000, 0.0005019800000000 ] - [ 0.0001757700000000, 0.0001394300000000, 0.0004186200000000 ] - [ 0.0165814800000000, -0.0061162100000000, 0.0019673300000000 ] - [ 0.0012963100000000, 0.0000268700000000, 0.0002487400000000 ] - [ -0.0000760300000000, -0.0005320200000000, -0.0010030800000000 ] - [ 0.0000679700000000, -0.0000078100000000, -0.0002221000000000 ] - [ -0.0063090700000000, -0.0038393000000000, -0.0184069200000000 ] - [ -0.0010132400000000, 0.0004158400000000, -0.0007807000000000 ] - [ -0.0038155400000000, -0.0003472200000000, 0.0019201300000000 ] - [ -0.0027342200000000, 0.0006259000000000, 0.0021540400000000 ] - [ 0.0000869000000000, 0.0001724400000000, -0.0003364900000000 ] - [ 0.0000848300000000, -0.0001270100000000, -0.0000613200000000 ] - [ 0.0069639600000000, -0.0243419100000000, -0.0094369900000000 ] - [ -0.0004450500000000, 0.0038353200000000, -0.0011492300000000 ] - [ 0.0006941200000000, -0.0000940100000000, -0.0003298200000000 ] - [ 0.0005247100000000, -0.0000288600000000, -0.0003950600000000 ] - [ 0.0002843800000000, -0.0002196300000000, 0.0003530200000000 ] - [ 0.0002326000000000, -0.0001126300000000, 0.0004404900000000 ] - [ 0.0001397400000000, -0.0004339300000000, -0.0003629900000000 ] - [ 0.0001160500000000, -0.0003931000000000, -0.0003283700000000 ] - [ 0.0000000600000000, -0.0001904100000000, -0.0001855900000000 ] - [ -0.0000475600000000, -0.0002440900000000, -0.0000771800000000 ] - [ -0.0001846600000000, 0.0000344300000000, -0.0001478200000000 ] - [ -0.0001841900000000, 0.0000467100000000, -0.0001453300000000 ] - [ 0.0119879900000000, 0.0027383800000000, 0.0003153400000000 ] - [ 0.0019276100000000, -0.0004142700000000, 0.0002524100000000 ] - [ 0.0001783100000000, 0.0001543200000000, 0.0001822400000000 ] - [ 0.0002748700000000, 0.0003320200000000, 0.0001089300000000 ] - [ 0.0014731900000000, 0.0239667400000000, 0.0184642800000000 ] - [ -0.0016006800000000, -0.0015078400000000, 0.0002467600000000 ] - [ 0.0015861900000000, 0.0044316500000000, -0.0050748600000000 ] - [ -0.0001025300000000, -0.0007685200000000, 0.0003037900000000 ] - [ -0.0000296800000000, -0.0000489000000000, -0.0002581300000000 ] - [ 0.0000069500000000, -0.0000762000000000, -0.0002646200000000 ] - [ 0.0011150900000000, -0.0008865000000000, -0.0010280800000000 ] - [ 0.0007044200000000, -0.0001410400000000, -0.0000839800000000 ] - [ -0.0005267300000000, -0.0004548800000000, -0.0004947900000000 ] - [ -0.0001740300000000, 0.0006619300000000, -0.0009341200000000 ] - [ -0.0001363700000000, -0.0003688800000000, -0.0001097600000000 ] - [ -0.0000392000000000, -0.0001409700000000, -0.0000918000000000 ] - [ -0.0012268200000000, 0.0002070300000000, -0.0007981600000000 ] - [ -0.0007407300000000, -0.0012516600000000, -0.0004665300000000 ] - [ 0.0004957200000000, -0.0002618600000000, 0.0007050500000000 ] - [ 0.0000566400000000, 0.0003809800000000, 0.0001930000000000 ]- atom: 59 displacement: [ -0.0099999541101204, 0.0000000000000000, 0.0000302951396548 ] forces: - [ -0.0213562300000000, -0.0125285000000000, -0.0041241400000000 ] - [ -0.0006614000000000, -0.0032380200000000, 0.0035833400000000 ] - [ -0.0445053200000000, -0.0079326400000000, 0.0276904300000000 ] - [ -0.0003688500000000, 0.0000752800000000, 0.0004248000000000 ] - [ 0.0025852500000000, 0.0002574300000000, -0.0002490400000000 ] - [ 0.0008044700000000, -0.0001972400000000, 0.0000601700000000 ] - [ 0.0050481400000000, 0.0005030200000000, -0.0021811600000000 ] - [ 0.0011973600000000, 0.0000259300000000, -0.0002770100000000 ] - [ -0.0000363300000000, 0.0000666900000000, 0.0002921300000000 ] - [ -0.0000725900000000, 0.0000575400000000, 0.0001486100000000 ] - [ -0.0003427700000000, 0.0005909100000000, -0.0016475200000000 ] - [ 0.0000339200000000, -0.0000677400000000, -0.0005114800000000 ] - [ 0.0000438000000000, 0.0000995300000000, -0.0002637100000000 ] - [ 0.0000408800000000, 0.0000621400000000, -0.0001574500000000 ] - [ -0.0000031300000000, -0.0000873100000000, -0.0005130600000000 ] - [ -0.0000134300000000, -0.0000680800000000, -0.0004387700000000 ] - [ 0.0000701400000000, -0.0001105600000000, 0.0000421700000000 ] - [ 0.0000027400000000, -0.0000431900000000, 0.0000864300000000 ] - [ 0.0048874500000000, 0.0013889900000000, 0.0026378900000000 ] - [ 0.0005041500000000, -0.0010691400000000, 0.0012602400000000 ] - [ -0.0000299600000000, 0.0001905800000000, -0.0005386300000000 ] - [ 0.0000113700000000, 0.0000275800000000, -0.0003630400000000 ] - [ -0.0030856000000000, 0.0015675600000000, -0.0015936200000000 ] - [ -0.0009066800000000, 0.0002509800000000, 0.0002093500000000 ] - [ 0.0009974200000000, 0.0000054400000000, 0.0002953500000000 ] - [ 0.0004114800000000, 0.0003031200000000, 0.0001611200000000 ] - [ 0.0035141400000000, 0.0007927400000000, 0.0004408200000000 ] - [ 0.0126338400000000, -0.0008634800000000, 0.0031877000000000 ] - [ -0.0002936200000000, -0.0001001300000000, -0.0006398700000000 ] - [ -0.0004076800000000, -0.0000320600000000, -0.0004490000000000 ] - [ -0.0001578500000000, -0.0008244900000000, -0.0007474700000000 ] - [ -0.0002290000000000, 0.0001550500000000, -0.0009244100000000 ] - [ -0.0066037400000000, 0.0028659700000000, -0.0016036900000000 ] - [ -0.0039672300000000, -0.0050757200000000, 0.0014093000000000 ] - [ 0.0017844000000000, -0.0005280200000000, 0.0001073200000000 ] - [ 0.0015398500000000, 0.0003861900000000, 0.0002682200000000 ] - [ -0.0656038500000000, 0.0208221900000000, 0.0272557000000000 ] - [ -0.0052159200000000, 0.0007272200000000, -0.0006405800000000 ] - [ 0.0003148200000000, -0.0001751200000000, -0.0003251800000000 ] - [ 0.0003494600000000, -0.0000950300000000, -0.0003195300000000 ] - [ 0.0004870000000000, -0.0000526400000000, 0.0000146300000000 ] - [ 0.0002988100000000, 0.0004668700000000, -0.0000841200000000 ] - [ -0.0005021500000000, -0.0001787700000000, -0.0006558300000000 ] - [ -0.0002168000000000, 0.0002829100000000, -0.0002390000000000 ] - [ -0.0006714200000000, -0.0001862200000000, -0.0000859900000000 ] - [ -0.0005071600000000, -0.0001016900000000, -0.0000829000000000 ] - [ 0.0003590500000000, -0.0001399000000000, 0.0000246100000000 ] - [ 0.0003343400000000, -0.0001641300000000, 0.0000276000000000 ] - [ 0.0000504900000000, -0.0005032800000000, 0.0001842400000000 ] - [ 0.0000444700000000, -0.0004281500000000, 0.0000431200000000 ] - [ 0.0000022800000000, -0.0004339200000000, -0.0001255600000000 ] - [ 0.0000238000000000, -0.0005258800000000, -0.0001189200000000 ] - [ 0.0029884100000000, 0.0004803100000000, -0.0005567100000000 ] - [ 0.0004262200000000, 0.0001369400000000, 0.0001959700000000 ] - [ -0.0012910400000000, -0.0016556100000000, 0.0013894700000000 ] - [ -0.0000853800000000, 0.0004718700000000, 0.0000685300000000 ] - [ -0.0060674200000000, 0.0009944200000000, -0.0078731700000000 ] - [ -0.0003436600000000, -0.0002198600000000, -0.0003450400000000 ] - [ 0.1574929000000000, -0.0039220900000000, -0.0621676000000000 ] - [ 0.0015029800000000, 0.0004083100000000, -0.0000913900000000 ] - [ -0.0001191500000000, -0.0001660600000000, 0.0003050400000000 ] - [ -0.0001033500000000, -0.0001935600000000, 0.0003275300000000 ] - [ -0.0021398100000000, 0.0002341100000000, -0.0000197800000000 ] - [ -0.0021386200000000, 0.0009929700000000, -0.0008258900000000 ] - [ 0.0000630800000000, -0.0000601600000000, 0.0002327100000000 ] - [ 0.0000154200000000, -0.0000821400000000, 0.0001885800000000 ] - [ -0.0014243000000000, -0.0000137400000000, -0.0004543800000000 ] - [ -0.0030628100000000, 0.0003133100000000, -0.0001382300000000 ] - [ -0.0007299400000000, 0.0001211400000000, 0.0002088600000000 ] - [ -0.0003842800000000, 0.0002833800000000, -0.0001342200000000 ] - [ 0.0002011100000000, 0.0000729900000000, 0.0001907100000000 ] - [ 0.0001931400000000, 0.0001066800000000, 0.0002381300000000 ] - [ 0.0002221200000000, 0.0000036300000000, 0.0004257100000000 ] - [ 0.0001313400000000, -0.0000474500000000, 0.0001575500000000 ] - [ 0.0005128000000000, 0.0039617700000000, 0.0047789400000000 ] - [ 0.0011407900000000, -0.0006926900000000, 0.0000584400000000 ] - [ -0.0004614100000000, 0.0000073700000000, 0.0005415300000000 ] - [ -0.0004462500000000, -0.0001792400000000, 0.0006035700000000 ] - [ -0.0000564200000000, 0.0000540100000000, -0.0009807600000000 ] - [ -0.0008227000000000, -0.0010653700000000, -0.0011285100000000 ] - [ -0.0004972000000000, 0.0002569400000000, 0.0001148500000000 ] - [ -0.0004685500000000, 0.0003185600000000, 0.0000235100000000 ] - [ -0.0006905800000000, -0.0001507000000000, -0.0000007900000000 ] - [ -0.0002902300000000, -0.0002096100000000, -0.0000247400000000 ] - [ -0.0017737000000000, 0.0003030200000000, 0.0001102800000000 ] - [ -0.0002998100000000, 0.0000664400000000, 0.0001963300000000 ] - [ -0.0165016200000000, 0.0062847700000000, -0.0018118600000000 ] - [ -0.0013697800000000, 0.0001854900000000, -0.0000991000000000 ] - [ 0.0004801600000000, 0.0001459700000000, 0.0009668200000000 ] - [ 0.0003365700000000, -0.0003795800000000, 0.0001916900000000 ] - [ 0.0066419100000000, 0.0041071100000000, 0.0180122400000000 ] - [ 0.0012010800000000, -0.0001081000000000, 0.0003658100000000 ] - [ 0.0031193000000000, 0.0005655600000000, -0.0012735700000000 ] - [ 0.0020244800000000, -0.0004142600000000, -0.0015391900000000 ] - [ -0.0004922900000000, -0.0005576800000000, 0.0003617200000000 ] - [ -0.0004911000000000, -0.0002602500000000, 0.0000869300000000 ] - [ -0.0066806900000000, 0.0246806100000000, 0.0095474200000000 ] - [ 0.0007661600000000, -0.0038712000000000, 0.0012106600000000 ] - [ 0.0000006700000000, -0.0001328300000000, -0.0002984800000000 ] - [ 0.0001676300000000, -0.0001970600000000, -0.0002285200000000 ] - [ -0.0004094100000000, 0.0000134400000000, 0.0002635800000000 ] - [ -0.0003587000000000, -0.0000960800000000, 0.0001743700000000 ] - [ 0.0000102000000000, -0.0002376500000000, 0.0000086800000000 ] - [ 0.0000368700000000, -0.0002707600000000, -0.0000217000000000 ] - [ -0.0001513600000000, -0.0004705100000000, 0.0005262800000000 ] - [ -0.0001012700000000, -0.0004230000000000, 0.0004230000000000 ] - [ -0.0001371100000000, -0.0000261700000000, 0.0000947000000000 ] - [ -0.0001451800000000, -0.0000350000000000, 0.0000905200000000 ] - [ -0.0124163700000000, -0.0027503100000000, -0.0003307000000000 ] - [ -0.0022526400000000, 0.0004006500000000, -0.0003006500000000 ] - [ 0.0005926100000000, 0.0003547800000000, 0.0000039400000000 ] - [ 0.0004962600000000, 0.0001755100000000, 0.0000739900000000 ] - [ -0.0014719200000000, -0.0236128500000000, -0.0185540600000000 ] - [ 0.0016706100000000, 0.0017145100000000, -0.0003808700000000 ] - [ -0.0012538400000000, -0.0041034600000000, 0.0052445800000000 ] - [ 0.0004082500000000, 0.0010588300000000, -0.0000889600000000 ] - [ 0.0001040000000000, -0.0001677200000000, 0.0001129100000000 ] - [ 0.0000670400000000, -0.0001418600000000, 0.0001160800000000 ] - [ -0.0003354700000000, 0.0003690900000000, 0.0012120300000000 ] - [ 0.0000702600000000, -0.0003634100000000, 0.0002770800000000 ] - [ 0.0006473800000000, 0.0006560700000000, -0.0001300200000000 ] - [ 0.0002975600000000, -0.0004478900000000, 0.0003115000000000 ] - [ 0.0004361000000000, 0.0000721100000000, 0.0003219600000000 ] - [ 0.0003439700000000, -0.0001538700000000, 0.0003069800000000 ] - [ 0.0013449200000000, -0.0004114700000000, 0.0001821300000000 ] - [ 0.0008642600000000, 0.0010414200000000, -0.0001562000000000 ] - [ -0.0009067700000000, 0.0006542900000000, -0.0006822700000000 ] - [ -0.0004630500000000, 0.0000020600000000, -0.0001611200000000 ]- atom: 59 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0061203300000000, 0.0104512000000000, 0.0028922000000000 ] - [ 0.0002560400000000, -0.0062803100000000, 0.0046074600000000 ] - [ 0.0093624900000000, 0.0063067100000000, -0.0018877600000000 ] - [ 0.0006715600000000, -0.0028413500000000, 0.0011726900000000 ] - [ -0.0002191300000000, 0.0010456400000000, 0.0011573700000000 ] - [ 0.0006595500000000, -0.0007386000000000, -0.0006722900000000 ] - [ 0.0050728400000000, 0.0053456900000000, -0.0010007800000000 ] - [ -0.0016162600000000, -0.0023149200000000, 0.0017538900000000 ] - [ -0.0001163800000000, -0.0002198900000000, -0.0010422000000000 ] - [ 0.0000042800000000, 0.0002289600000000, -0.0003150500000000 ] - [ -0.0000618600000000, 0.0018443100000000, -0.0019140000000000 ] - [ 0.0002556100000000, -0.0015403100000000, -0.0004654200000000 ] - [ -0.0000050900000000, 0.0003962800000000, -0.0004297200000000 ] - [ 0.0000943300000000, -0.0001291200000000, -0.0007012300000000 ] - [ 0.0000085600000000, 0.0001275900000000, -0.0009841200000000 ] - [ -0.0000466300000000, -0.0002757200000000, -0.0008155300000000 ] - [ 0.0000912900000000, -0.0001314000000000, -0.0003488400000000 ] - [ -0.0000181200000000, 0.0000781800000000, -0.0007414400000000 ] - [ -0.0081857400000000, -0.0027915600000000, -0.0038068700000000 ] - [ 0.0013678400000000, -0.0000231900000000, 0.0030768600000000 ] - [ 0.0000604700000000, 0.0003265200000000, -0.0009629800000000 ] - [ 0.0000695300000000, -0.0002633000000000, -0.0008104900000000 ] - [ -0.0011874600000000, 0.0022131600000000, -0.0012815700000000 ] - [ 0.0008616500000000, -0.0019544100000000, -0.0002217300000000 ] - [ 0.0003095200000000, 0.0003202700000000, -0.0008841000000000 ] - [ 0.0001965800000000, -0.0007094600000000, -0.0002157800000000 ] - [ 0.0008486800000000, -0.0023002700000000, 0.0030223600000000 ] - [ 0.0007369200000000, -0.0027071000000000, 0.0013037100000000 ] - [ -0.0002819300000000, 0.0000567200000000, -0.0015458700000000 ] - [ -0.0003610100000000, -0.0001213700000000, -0.0009516900000000 ] - [ -0.0001934800000000, 0.0002676200000000, -0.0023222400000000 ] - [ 0.0001285900000000, -0.0003850900000000, -0.0004462400000000 ] - [ -0.0029257600000000, -0.0004121000000000, 0.0034672800000000 ] - [ 0.0055020300000000, -0.0025690000000000, -0.0047845100000000 ] - [ -0.0002336100000000, 0.0027983900000000, 0.0000089800000000 ] - [ -0.0013218400000000, -0.0017736900000000, -0.0007706600000000 ] - [ -0.0219913800000000, 0.1537302000000000, 0.1035940800000000 ] - [ 0.0017765500000000, -0.0089006600000000, 0.0023776100000000 ] - [ 0.0003889700000000, 0.0000957300000000, -0.0013064800000000 ] - [ 0.0003754700000000, -0.0003694500000000, -0.0011132700000000 ] - [ 0.0004708100000000, -0.0004302400000000, -0.0000348900000000 ] - [ -0.0001678700000000, 0.0010129800000000, 0.0002326300000000 ] - [ -0.0005082600000000, -0.0000425000000000, -0.0007834600000000 ] - [ -0.0000343100000000, 0.0002796400000000, 0.0002138700000000 ] - [ -0.0001057600000000, -0.0000564900000000, 0.0000033100000000 ] - [ -0.0007744100000000, -0.0001938100000000, -0.0005738200000000 ] - [ 0.0001244200000000, -0.0001009300000000, -0.0000779000000000 ] - [ 0.0000608000000000, -0.0002257200000000, -0.0001217000000000 ] - [ 0.0000770300000000, -0.0002150200000000, -0.0001132100000000 ] - [ -0.0001327200000000, -0.0007113200000000, -0.0000592400000000 ] - [ -0.0000469200000000, -0.0003494500000000, -0.0001324500000000 ] - [ 0.0000688500000000, -0.0005805800000000, -0.0002087500000000 ] - [ -0.0012373500000000, -0.0004272100000000, 0.0002721900000000 ] - [ 0.0001466600000000, 0.0000846400000000, 0.0001099800000000 ] - [ 0.0010772700000000, 0.0030386000000000, 0.0008821300000000 ] - [ -0.0013556000000000, -0.0015954800000000, -0.0002241100000000 ] - [ 0.0031366500000000, -0.0032110600000000, 0.0035103200000000 ] - [ 0.0003096400000000, 0.0015215400000000, -0.0003867200000000 ] - [ 0.0057098800000000, -0.2155726100000000, -0.1478817300000000 ] - [ -0.0001804600000000, 0.0041954300000000, 0.0006637200000000 ] - [ -0.0000633000000000, -0.0004484200000000, 0.0011061000000000 ] - [ -0.0001083600000000, -0.0002709100000000, 0.0007976500000000 ] - [ 0.0007637400000000, 0.0015615000000000, -0.0016876500000000 ] - [ -0.0000074800000000, 0.0015678500000000, -0.0015523800000000 ] - [ 0.0000586600000000, -0.0001091200000000, 0.0005068300000000 ] - [ 0.0001236600000000, 0.0000925700000000, 0.0004571800000000 ] - [ -0.0004780700000000, 0.0000830400000000, -0.0013661800000000 ] - [ 0.0005361900000000, 0.0005735000000000, -0.0000462000000000 ] - [ 0.0005512200000000, -0.0008170600000000, -0.0008531000000000 ] - [ 0.0005589900000000, 0.0010658600000000, -0.0004278900000000 ] - [ 0.0001805200000000, 0.0001841400000000, 0.0004765300000000 ] - [ 0.0001972500000000, 0.0001917200000000, 0.0005645400000000 ] - [ 0.0001411000000000, -0.0000493300000000, 0.0009703000000000 ] - [ 0.0000752800000000, 0.0002379600000000, 0.0004342600000000 ] - [ -0.0011230000000000, 0.0012301900000000, 0.0055402500000000 ] - [ 0.0007453600000000, 0.0015881100000000, -0.0006208300000000 ] - [ -0.0007656500000000, -0.0002355000000000, 0.0012194300000000 ] - [ -0.0005080700000000, -0.0000835700000000, 0.0006107700000000 ] - [ -0.0000276700000000, -0.0013969000000000, -0.0007764400000000 ] - [ 0.0008607200000000, 0.0027586500000000, 0.0015321700000000 ] - [ -0.0003387100000000, 0.0001533500000000, 0.0002482500000000 ] - [ -0.0003225500000000, 0.0004917800000000, 0.0002795800000000 ] - [ -0.0002127000000000, -0.0006629500000000, 0.0004937000000000 ] - [ -0.0004170000000000, 0.0001440900000000, 0.0000736500000000 ] - [ 0.0006847800000000, -0.0004534100000000, 0.0007930500000000 ] - [ -0.0001648900000000, 0.0007761700000000, 0.0005777500000000 ] - [ -0.0040016100000000, 0.0004015400000000, -0.0010994500000000 ] - [ -0.0007032200000000, 0.0015942100000000, -0.0010613900000000 ] - [ 0.0003317900000000, -0.0004707900000000, 0.0008865800000000 ] - [ 0.0001227900000000, 0.0000810200000000, 0.0002842100000000 ] - [ -0.0002012300000000, -0.0075380200000000, 0.0020199100000000 ] - [ -0.0001254400000000, 0.0031543300000000, -0.0030005000000000 ] - [ 0.0004873100000000, 0.0018392700000000, -0.0050256000000000 ] - [ -0.0025191900000000, 0.0060550600000000, 0.0065054500000000 ] - [ -0.0001380700000000, 0.0000223200000000, -0.0001034300000000 ] - [ -0.0004738600000000, -0.0003790700000000, 0.0006297600000000 ] - [ -0.0194349600000000, 0.0163641100000000, 0.0124322900000000 ] - [ 0.0013349400000000, 0.0086414200000000, -0.0038610900000000 ] - [ 0.0001328100000000, -0.0002901500000000, 0.0001973200000000 ] - [ 0.0002865500000000, 0.0001068300000000, -0.0000474900000000 ] - [ 0.0000345200000000, -0.0007690300000000, 0.0007474400000000 ] - [ 0.0002659200000000, 0.0002340000000000, 0.0007891100000000 ] - [ -0.0000011200000000, -0.0001676200000000, 0.0003856700000000 ] - [ 0.0000415100000000, 0.0000070100000000, 0.0004682600000000 ] - [ -0.0002373100000000, -0.0007425300000000, 0.0009748800000000 ] - [ -0.0001808500000000, -0.0004335400000000, 0.0006971900000000 ] - [ -0.0000607400000000, -0.0002873200000000, 0.0004856300000000 ] - [ -0.0001458500000000, -0.0000201000000000, 0.0003530900000000 ] - [ 0.0025945200000000, -0.0022133100000000, -0.0023933400000000 ] - [ -0.0006661600000000, 0.0026065300000000, -0.0002885300000000 ] - [ 0.0002830100000000, 0.0000275600000000, 0.0002215300000000 ] - [ 0.0008122800000000, 0.0003474800000000, 0.0006629000000000 ] - [ 0.0179240200000000, 0.0248849700000000, 0.0252790600000000 ] - [ -0.0005165200000000, 0.0041840800000000, -0.0018651600000000 ] - [ 0.0009576100000000, 0.0005271200000000, -0.0020376700000000 ] - [ -0.0017588700000000, 0.0018328400000000, 0.0000424300000000 ] - [ 0.0001295000000000, -0.0001796500000000, 0.0002595800000000 ] - [ 0.0001308100000000, -0.0002134400000000, 0.0004456000000000 ] - [ -0.0002676900000000, 0.0005421900000000, 0.0019175500000000 ] - [ 0.0005321400000000, -0.0006892100000000, -0.0007518700000000 ] - [ 0.0001066200000000, 0.0003116100000000, 0.0012570600000000 ] - [ -0.0000509600000000, -0.0004732000000000, -0.0001785100000000 ] - [ 0.0004040100000000, 0.0001255000000000, 0.0008651300000000 ] - [ 0.0001234100000000, -0.0001362300000000, 0.0003397500000000 ] - [ 0.0004183300000000, -0.0010746300000000, -0.0016663000000000 ] - [ -0.0005704200000000, 0.0015301900000000, 0.0024366000000000 ] - [ 0.0008273400000000, -0.0012342200000000, 0.0016359400000000 ] - [ -0.0002600400000000, 0.0014162700000000, -0.0001727000000000 ]- atom: 59 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0071162900000000, -0.0107829900000000, -0.0036101000000000 ] - [ -0.0003848400000000, 0.0063879000000000, -0.0049102600000000 ] - [ -0.0095954300000000, -0.0066012500000000, 0.0018673100000000 ] - [ -0.0005990100000000, 0.0027231000000000, -0.0013485400000000 ] - [ 0.0002771200000000, -0.0010242500000000, -0.0009724300000000 ] - [ -0.0006192800000000, 0.0007461000000000, 0.0008529900000000 ] - [ -0.0049362000000000, -0.0051735000000000, 0.0013103400000000 ] - [ 0.0017525400000000, 0.0024398700000000, -0.0014241600000000 ] - [ 0.0001612500000000, 0.0002092900000000, 0.0012206800000000 ] - [ 0.0000406000000000, -0.0002407100000000, 0.0004971300000000 ] - [ 0.0000163300000000, -0.0018623200000000, 0.0017252700000000 ] - [ -0.0003022100000000, 0.0015278200000000, 0.0002798600000000 ] - [ -0.0000705000000000, -0.0002768400000000, 0.0006127900000000 ] - [ -0.0001706100000000, 0.0002467200000000, 0.0008876800000000 ] - [ -0.0001388500000000, -0.0002604100000000, 0.0006510100000000 ] - [ -0.0000820800000000, 0.0001409400000000, 0.0004827800000000 ] - [ 0.0000375200000000, 0.0000066400000000, 0.0006773200000000 ] - [ 0.0001501600000000, -0.0002042300000000, 0.0010717900000000 ] - [ 0.0080637500000000, 0.0026561500000000, 0.0039800000000000 ] - [ -0.0014556800000000, -0.0001123400000000, -0.0028898000000000 ] - [ 0.0000159000000000, -0.0002015500000000, 0.0007747100000000 ] - [ 0.0000061400000000, 0.0003887100000000, 0.0006213600000000 ] - [ 0.0011632800000000, -0.0022163500000000, 0.0011164800000000 ] - [ -0.0009026800000000, 0.0019619500000000, 0.0000244200000000 ] - [ -0.0001260500000000, -0.0005091700000000, 0.0010942200000000 ] - [ -0.0000072100000000, 0.0005315900000000, 0.0004367700000000 ] - [ -0.0000682400000000, 0.0024105400000000, -0.0031373500000000 ] - [ 0.0000452800000000, 0.0027878400000000, -0.0014244300000000 ] - [ -0.0004981300000000, -0.0001751900000000, 0.0016799200000000 ] - [ -0.0004136700000000, 0.0000081900000000, 0.0010831500000000 ] - [ 0.0000064100000000, -0.0004415100000000, 0.0020969700000000 ] - [ -0.0003170400000000, 0.0001980900000000, 0.0002284300000000 ] - [ 0.0027039200000000, 0.0006194800000000, -0.0037023100000000 ] - [ -0.0057021300000000, 0.0027370800000000, 0.0045883200000000 ] - [ 0.0004192700000000, -0.0025971500000000, 0.0002145100000000 ] - [ 0.0014979900000000, 0.0019453600000000, 0.0009817500000000 ] - [ 0.0194069700000000, -0.1484844400000000, -0.0968528300000000 ] - [ -0.0025436200000000, 0.0090199900000000, -0.0022373700000000 ] - [ 0.0003849400000000, -0.0002094900000000, 0.0011675600000000 ] - [ 0.0004036800000000, 0.0002481700000000, 0.0009724800000000 ] - [ -0.0004533400000000, 0.0013380200000000, 0.0001259700000000 ] - [ 0.0001842000000000, -0.0001068300000000, -0.0001366900000000 ] - [ 0.0000550400000000, 0.0003523400000000, 0.0006799600000000 ] - [ -0.0004172300000000, 0.0000232600000000, -0.0003177700000000 ] - [ -0.0003464000000000, -0.0002479900000000, -0.0001073700000000 ] - [ 0.0003257600000000, -0.0001116800000000, 0.0004714800000000 ] - [ 0.0003248100000000, -0.0002042400000000, 0.0001806900000000 ] - [ 0.0003880400000000, -0.0000801300000000, 0.0002234000000000 ] - [ -0.0000599500000000, -0.0006929600000000, 0.0002066200000000 ] - [ 0.0001491000000000, -0.0001979800000000, 0.0001534100000000 ] - [ 0.0000302000000000, -0.0005600600000000, 0.0000381900000000 ] - [ -0.0000869000000000, -0.0003269300000000, 0.0001132900000000 ] - [ 0.0016721700000000, 0.0007356700000000, -0.0001662600000000 ] - [ 0.0003054400000000, 0.0002191600000000, -0.0000056900000000 ] - [ -0.0010993400000000, -0.0021130600000000, -0.0009869000000000 ] - [ 0.0013418000000000, 0.0025047500000000, 0.0001304000000000 ] - [ -0.0038843400000000, 0.0026998400000000, -0.0036478000000000 ] - [ -0.0010845200000000, -0.0020391700000000, 0.0002327700000000 ] - [ -0.0028965300000000, 0.2111900900000000, 0.1411779400000000 ] - [ -0.0000003900000000, -0.0035540500000000, -0.0003317000000000 ] - [ -0.0001127700000000, 0.0001352600000000, -0.0006748800000000 ] - [ -0.0000775400000000, -0.0000373700000000, -0.0003735800000000 ] - [ -0.0005877300000000, -0.0009078000000000, 0.0013398900000000 ] - [ 0.0001808800000000, -0.0009022100000000, 0.0011989400000000 ] - [ -0.0001455800000000, -0.0001170400000000, -0.0003530900000000 ] - [ -0.0002097400000000, -0.0003175600000000, -0.0003037900000000 ] - [ 0.0002940400000000, 0.0002206400000000, 0.0017771400000000 ] - [ -0.0007089400000000, -0.0002544600000000, 0.0004732000000000 ] - [ 0.0001541900000000, 0.0010517400000000, 0.0002068300000000 ] - [ 0.0001465700000000, -0.0008271700000000, -0.0002130700000000 ] - [ 0.0001274900000000, -0.0001926600000000, -0.0004365500000000 ] - [ 0.0001059400000000, -0.0001837400000000, -0.0005107700000000 ] - [ 0.0000349400000000, -0.0002611100000000, -0.0013956800000000 ] - [ 0.0001059300000000, -0.0005476700000000, -0.0008586500000000 ] - [ 0.0015445200000000, -0.0007794800000000, -0.0055890200000000 ] - [ -0.0003264700000000, -0.0011720600000000, 0.0005896300000000 ] - [ 0.0000581600000000, -0.0000104400000000, -0.0005699000000000 ] - [ -0.0001927400000000, -0.0001498500000000, 0.0000287100000000 ] - [ -0.0003027000000000, 0.0016842900000000, 0.0005432100000000 ] - [ -0.0011743300000000, -0.0024507400000000, -0.0017484200000000 ] - [ -0.0004328400000000, 0.0003622800000000, -0.0003992000000000 ] - [ -0.0004496300000000, 0.0000169000000000, -0.0004394500000000 ] - [ -0.0001073300000000, 0.0003727700000000, -0.0007225700000000 ] - [ 0.0000930400000000, -0.0004356000000000, -0.0003043100000000 ] - [ -0.0007982100000000, 0.0006581300000000, -0.0001483400000000 ] - [ 0.0000475100000000, -0.0005713900000000, 0.0000603100000000 ] - [ 0.0038748900000000, -0.0001444400000000, 0.0012523100000000 ] - [ 0.0006174900000000, -0.0013656500000000, 0.0012097200000000 ] - [ 0.0000825900000000, 0.0000379300000000, -0.0009211600000000 ] - [ 0.0002905400000000, -0.0005057300000000, -0.0003098500000000 ] - [ 0.0004561400000000, 0.0077398200000000, -0.0025454500000000 ] - [ 0.0003058100000000, -0.0028454700000000, 0.0025810000000000 ] - [ -0.0011943900000000, -0.0015864600000000, 0.0056308000000000 ] - [ 0.0018122400000000, -0.0058678600000000, -0.0059149700000000 ] - [ -0.0002785300000000, -0.0004535600000000, 0.0001356400000000 ] - [ 0.0000594900000000, -0.0000455400000000, -0.0005974200000000 ] - [ 0.0193100300000000, -0.0160543100000000, -0.0121568000000000 ] - [ -0.0010585800000000, -0.0086794300000000, 0.0039207600000000 ] - [ 0.0005769000000000, 0.0000444000000000, -0.0008443300000000 ] - [ 0.0004171700000000, -0.0003461800000000, -0.0005949400000000 ] - [ -0.0001510400000000, 0.0005577800000000, -0.0001080300000000 ] - [ -0.0003790400000000, -0.0004381300000000, -0.0001450500000000 ] - [ 0.0001741900000000, -0.0004833500000000, -0.0007244700000000 ] - [ 0.0001429600000000, -0.0006479100000000, -0.0008040300000000 ] - [ 0.0000552400000000, 0.0000974500000000, -0.0006353800000000 ] - [ 0.0000104000000000, -0.0002229600000000, -0.0003521000000000 ] - [ -0.0002425700000000, 0.0002798800000000, -0.0005258300000000 ] - [ -0.0001694700000000, 0.0000165200000000, -0.0003926100000000 ] - [ -0.0028906700000000, 0.0022172000000000, 0.0023390500000000 ] - [ 0.0003581800000000, -0.0026023200000000, 0.0002373600000000 ] - [ 0.0004900400000000, 0.0004843300000000, -0.0000629600000000 ] - [ -0.0000411400000000, 0.0001708600000000, -0.0005132900000000 ] - [ -0.0174038300000000, -0.0242028400000000, -0.0248909400000000 ] - [ 0.0006155400000000, -0.0039877100000000, 0.0017252200000000 ] - [ -0.0006445400000000, -0.0002738400000000, 0.0023015200000000 ] - [ 0.0020885300000000, -0.0015366400000000, 0.0001816200000000 ] - [ -0.0000410200000000, -0.0000484800000000, -0.0004103500000000 ] - [ -0.0000463400000000, -0.0000119200000000, -0.0005996300000000 ] - [ 0.0010436000000000, -0.0010578600000000, -0.0017483800000000 ] - [ 0.0002403600000000, 0.0001801900000000, 0.0009111600000000 ] - [ 0.0000065800000000, -0.0001172800000000, -0.0018883200000000 ] - [ 0.0001669700000000, 0.0006844300000000, -0.0004635200000000 ] - [ -0.0000835600000000, -0.0004162400000000, -0.0006310800000000 ] - [ 0.0002037500000000, -0.0001521100000000, -0.0001071800000000 ] - [ -0.0002963500000000, 0.0008683200000000, 0.0010319500000000 ] - [ 0.0006891300000000, -0.0017336100000000, -0.0030846000000000 ] - [ -0.0012325100000000, 0.0016491800000000, -0.0015921700000000 ] - [ -0.0001527700000000, -0.0009799600000000, 0.0002077800000000 ]- atom: 59 displacement: [ -0.0009337289454915, 0.0000000000000000, 0.0099563120811047 ] forces: - [ -0.0003913100000000, 0.0019985800000000, 0.0083036700000000 ] - [ -0.0008817100000000, -0.0020093600000000, 0.0062191400000000 ] - [ -0.0301287300000000, -0.0014685800000000, 0.0249853400000000 ] - [ 0.0002540200000000, -0.0012236900000000, 0.0032856400000000 ] - [ 0.0023141600000000, 0.0014337300000000, 0.0005241400000000 ] - [ 0.0011451500000000, -0.0006428400000000, 0.0001807700000000 ] - [ 0.0065538100000000, 0.0006085000000000, 0.0027262400000000 ] - [ 0.0002007800000000, -0.0005249300000000, 0.0019763200000000 ] - [ -0.0004272900000000, -0.0002316800000000, -0.0014013400000000 ] - [ -0.0002858400000000, 0.0006031100000000, -0.0010521200000000 ] - [ 0.0000252000000000, 0.0012132700000000, -0.0039397600000000 ] - [ 0.0002790100000000, -0.0008655900000000, -0.0016826000000000 ] - [ 0.0001394200000000, 0.0005219300000000, -0.0016127400000000 ] - [ 0.0001375000000000, -0.0000822200000000, -0.0015649100000000 ] - [ 0.0001898600000000, -0.0000385800000000, -0.0021684000000000 ] - [ 0.0001187700000000, -0.0001343300000000, -0.0018073500000000 ] - [ 0.0000373700000000, 0.0001040300000000, -0.0013969400000000 ] - [ 0.0000169200000000, -0.0000666700000000, -0.0016638800000000 ] - [ -0.0052342700000000, -0.0018704200000000, -0.0014482100000000 ] - [ -0.0009745700000000, 0.0010304900000000, 0.0025202400000000 ] - [ -0.0000597900000000, 0.0004456200000000, -0.0024670300000000 ] - [ 0.0000562200000000, -0.0002941500000000, -0.0019056700000000 ] - [ -0.0058886800000000, 0.0048051700000000, -0.0078482100000000 ] - [ 0.0001169300000000, -0.0014898500000000, -0.0001548300000000 ] - [ 0.0006119100000000, -0.0006189600000000, -0.0022990600000000 ] - [ 0.0006393200000000, 0.0003359200000000, -0.0005492300000000 ] - [ 0.0010935800000000, -0.0009285000000000, 0.0050729700000000 ] - [ 0.0044049500000000, -0.0020466700000000, 0.0048786100000000 ] - [ -0.0001033500000000, 0.0000401500000000, -0.0035665800000000 ] - [ -0.0003362100000000, 0.0001249100000000, -0.0027878800000000 ] - [ -0.0000112700000000, -0.0015434600000000, -0.0040969200000000 ] - [ -0.0000564100000000, 0.0005122800000000, -0.0032449900000000 ] - [ -0.0010382600000000, 0.0036161900000000, -0.0033276600000000 ] - [ 0.0017633300000000, -0.0080712500000000, -0.0014971900000000 ] - [ -0.0012927400000000, 0.0001943700000000, -0.0016087300000000 ] - [ -0.0009076900000000, -0.0005922500000000, -0.0006230500000000 ] - [ -0.0334178600000000, 0.1023085600000000, 0.1504892800000000 ] - [ 0.0001727700000000, -0.0010125500000000, 0.0038052200000000 ] - [ 0.0002254900000000, -0.0002939000000000, -0.0028395200000000 ] - [ 0.0002963000000000, -0.0004138000000000, -0.0025329200000000 ] - [ 0.0005309600000000, -0.0004589500000000, 0.0003760000000000 ] - [ 0.0003761700000000, 0.0009802500000000, 0.0001127300000000 ] - [ 0.0000195800000000, -0.0010134400000000, -0.0009074700000000 ] - [ 0.0001351800000000, 0.0006322100000000, -0.0001857300000000 ] - [ -0.0008162400000000, -0.0000078000000000, -0.0005967000000000 ] - [ -0.0009665300000000, -0.0001951100000000, -0.0006572700000000 ] - [ 0.0000829000000000, -0.0001250600000000, -0.0002882800000000 ] - [ 0.0000777700000000, -0.0002048100000000, -0.0002156300000000 ] - [ 0.0000103900000000, -0.0003250500000000, -0.0003129400000000 ] - [ -0.0001069400000000, -0.0006133800000000, -0.0001295700000000 ] - [ 0.0000060900000000, -0.0002871600000000, -0.0003845100000000 ] - [ 0.0001736500000000, -0.0006955500000000, -0.0003371700000000 ] - [ -0.0024053800000000, -0.0003886400000000, 0.0009670200000000 ] - [ 0.0001452900000000, 0.0001060000000000, 0.0001526700000000 ] - [ -0.0011516200000000, 0.0030484500000000, -0.0012938200000000 ] - [ -0.0010223600000000, -0.0010876100000000, 0.0001652400000000 ] - [ 0.0086654200000000, -0.0012141400000000, 0.0060322200000000 ] - [ 0.0003578600000000, 0.0006261300000000, -0.0007073300000000 ] - [ 0.0777490000000000, -0.1475826600000000, -0.2323725800000000 ] - [ 0.0003315700000000, 0.0008668100000000, -0.0020458300000000 ] - [ -0.0001072200000000, -0.0005911100000000, 0.0019197700000000 ] - [ -0.0001120600000000, -0.0005848900000000, 0.0016866100000000 ] - [ 0.0005196200000000, 0.0017167700000000, -0.0026401000000000 ] - [ -0.0002893400000000, 0.0019307900000000, -0.0027164600000000 ] - [ 0.0004346500000000, 0.0001482600000000, 0.0011645500000000 ] - [ 0.0003452100000000, 0.0002076200000000, 0.0009782600000000 ] - [ -0.0005836900000000, -0.0008150100000000, -0.0027545300000000 ] - [ -0.0003387600000000, 0.0001530200000000, -0.0017698100000000 ] - [ 0.0001821200000000, -0.0002854000000000, -0.0006491500000000 ] - [ 0.0003557700000000, 0.0007595800000000, -0.0007037800000000 ] - [ 0.0002044400000000, 0.0004210100000000, 0.0012018200000000 ] - [ 0.0002664600000000, 0.0004864000000000, 0.0012890300000000 ] - [ 0.0001945600000000, 0.0004959300000000, 0.0023884700000000 ] - [ 0.0000896700000000, 0.0003865300000000, 0.0015886500000000 ] - [ -0.0013795400000000, 0.0062422900000000, 0.0088695600000000 ] - [ -0.0001286800000000, -0.0016132300000000, 0.0001914700000000 ] - [ -0.0013013200000000, 0.0000987000000000, 0.0019732300000000 ] - [ -0.0009992700000000, -0.0003123500000000, 0.0016973700000000 ] - [ 0.0022072500000000, -0.0008437900000000, 0.0001444200000000 ] - [ 0.0006720500000000, 0.0014698000000000, 0.0006885100000000 ] - [ -0.0004399500000000, 0.0002239900000000, 0.0009251800000000 ] - [ -0.0004363000000000, 0.0005092900000000, 0.0005752400000000 ] - [ -0.0005649600000000, -0.0005867200000000, 0.0012156000000000 ] - [ -0.0005105700000000, -0.0002114400000000, 0.0005051300000000 ] - [ 0.0008947800000000, 0.0002336000000000, 0.0017240900000000 ] - [ -0.0002581400000000, 0.0004215600000000, 0.0005279900000000 ] - [ -0.0074563500000000, 0.0024449800000000, -0.0025290900000000 ] - [ -0.0008477600000000, 0.0010162900000000, -0.0018074500000000 ] - [ 0.0006499300000000, 0.0005633800000000, 0.0031203200000000 ] - [ 0.0003422200000000, -0.0004169900000000, 0.0010820200000000 ] - [ -0.0126781700000000, 0.0132629200000000, 0.0382951000000000 ] - [ 0.0001162300000000, 0.0013922000000000, -0.0021501300000000 ] - [ 0.0008442000000000, -0.0054911400000000, 0.0010491100000000 ] - [ -0.0007835900000000, 0.0055330300000000, 0.0029065500000000 ] - [ -0.0005409600000000, -0.0007354100000000, 0.0007368200000000 ] - [ -0.0005470000000000, 0.0001538300000000, 0.0008505700000000 ] - [ -0.0054080500000000, 0.0120235400000000, -0.0056925100000000 ] - [ 0.0001974000000000, 0.0010598100000000, -0.0023947100000000 ] - [ -0.0001573700000000, -0.0000162700000000, 0.0009262600000000 ] - [ 0.0000122700000000, -0.0001362000000000, 0.0003489900000000 ] - [ 0.0003354100000000, -0.0005603400000000, 0.0015774800000000 ] - [ 0.0002595000000000, 0.0000300500000000, 0.0009271400000000 ] - [ -0.0001150900000000, 0.0002089500000000, 0.0012720000000000 ] - [ -0.0000841500000000, 0.0002791600000000, 0.0011959300000000 ] - [ -0.0004245700000000, -0.0011741500000000, 0.0020789700000000 ] - [ -0.0003194000000000, -0.0008837600000000, 0.0016544700000000 ] - [ -0.0000631900000000, -0.0003976000000000, 0.0011128900000000 ] - [ -0.0000799500000000, -0.0002347500000000, 0.0008987400000000 ] - [ -0.0029105800000000, -0.0021626900000000, -0.0036367300000000 ] - [ -0.0011429000000000, 0.0007524200000000, -0.0013737500000000 ] - [ 0.0007842000000000, -0.0001617700000000, 0.0009910600000000 ] - [ 0.0009178000000000, 0.0002669500000000, 0.0009120500000000 ] - [ 0.0103732700000000, 0.0182553000000000, 0.0025485400000000 ] - [ -0.0000203800000000, -0.0003873400000000, -0.0017347200000000 ] - [ -0.0029069000000000, -0.0046483900000000, 0.0037731700000000 ] - [ -0.0016549300000000, 0.0024200800000000, -0.0009604400000000 ] - [ 0.0003133700000000, -0.0003770300000000, 0.0009456300000000 ] - [ 0.0002411400000000, -0.0002935700000000, 0.0010560900000000 ] - [ -0.0008537600000000, 0.0014457000000000, 0.0005961800000000 ] - [ -0.0000366600000000, -0.0009362800000000, -0.0003768400000000 ] - [ 0.0004671900000000, 0.0014440000000000, 0.0018824800000000 ] - [ 0.0001533200000000, -0.0019324600000000, 0.0018547000000000 ] - [ 0.0008616400000000, 0.0006641100000000, 0.0015259600000000 ] - [ 0.0004762400000000, -0.0001094100000000, 0.0011676400000000 ] - [ 0.0006045900000000, -0.0007086300000000, 0.0007949200000000 ] - [ 0.0002626800000000, 0.0023200100000000, 0.0020670900000000 ] - [ 0.0004159600000000, 0.0001699700000000, 0.0010964400000000 ] - [ -0.0000631300000000, 0.0005032200000000, 0.0001390700000000 ]- atom: 59 displacement: [ 0.0009337289454915, 0.0000000000000000, -0.0099563120811047 ] forces: - [ 0.0002654300000000, -0.0019538400000000, -0.0086212600000000 ] - [ 0.0007685400000000, 0.0021346100000000, -0.0065762300000000 ] - [ 0.0319474600000000, 0.0014281100000000, -0.0258572600000000 ] - [ -0.0001774700000000, 0.0011111700000000, -0.0035124200000000 ] - [ -0.0022861300000000, -0.0014191700000000, -0.0003678800000000 ] - [ -0.0011178700000000, 0.0006513800000000, -0.0000284900000000 ] - [ -0.0064213600000000, -0.0005078100000000, -0.0023445600000000 ] - [ -0.0000891700000000, 0.0006454400000000, -0.0016275500000000 ] - [ 0.0004592000000000, 0.0002223200000000, 0.0015695100000000 ] - [ 0.0003190400000000, -0.0006093400000000, 0.0012203200000000 ] - [ -0.0000614500000000, -0.0012324400000000, 0.0037848100000000 ] - [ -0.0003152400000000, 0.0008543500000000, 0.0015176000000000 ] - [ -0.0002163900000000, -0.0004092800000000, 0.0018258800000000 ] - [ -0.0002130800000000, 0.0001954600000000, 0.0017789200000000 ] - [ -0.0003032200000000, -0.0000856300000000, 0.0018323900000000 ] - [ -0.0002324100000000, 0.0000127300000000, 0.0014756000000000 ] - [ 0.0000778300000000, -0.0002194800000000, 0.0017290700000000 ] - [ 0.0001006700000000, -0.0000479000000000, 0.0019948800000000 ] - [ 0.0051645200000000, 0.0017549800000000, 0.0016699200000000 ] - [ 0.0008987200000000, -0.0011473000000000, -0.0022865600000000 ] - [ 0.0001344400000000, -0.0003212500000000, 0.0022467700000000 ] - [ 0.0000187500000000, 0.0004132600000000, 0.0016900100000000 ] - [ 0.0057993900000000, -0.0047568400000000, 0.0076445100000000 ] - [ -0.0001514500000000, 0.0014944700000000, 0.0000021400000000 ] - [ -0.0004858400000000, 0.0004114700000000, 0.0025142400000000 ] - [ -0.0005134500000000, -0.0005455000000000, 0.0007710400000000 ] - [ -0.0003440900000000, 0.0010161200000000, -0.0052335000000000 ] - [ -0.0036556400000000, 0.0020942400000000, -0.0050426700000000 ] - [ -0.0006573400000000, -0.0001230600000000, 0.0037214700000000 ] - [ -0.0004215200000000, -0.0002210400000000, 0.0029391700000000 ] - [ -0.0001169100000000, 0.0013171600000000, 0.0038610100000000 ] - [ -0.0000738300000000, -0.0007129200000000, 0.0030079100000000 ] - [ 0.0009132900000000, -0.0034144900000000, 0.0030973900000000 ] - [ -0.0018851800000000, 0.0083162200000000, 0.0012600900000000 ] - [ 0.0014148000000000, 0.0000071800000000, 0.0018386800000000 ] - [ 0.0010364800000000, 0.0008025500000000, 0.0008614100000000 ] - [ 0.0311303200000000, -0.0954574200000000, -0.1453697900000000 ] - [ -0.0009103700000000, 0.0010786200000000, -0.0036453000000000 ] - [ 0.0005354700000000, 0.0001981200000000, 0.0026841700000000 ] - [ 0.0004626300000000, 0.0003261900000000, 0.0023811200000000 ] - [ -0.0005164200000000, 0.0013511200000000, -0.0002627300000000 ] - [ -0.0003590400000000, -0.0000826100000000, -0.0000007700000000 ] - [ -0.0004789800000000, 0.0013047300000000, 0.0008138900000000 ] - [ -0.0005949900000000, -0.0003255900000000, 0.0000925200000000 ] - [ 0.0003507400000000, -0.0002942900000000, 0.0005009500000000 ] - [ 0.0005006500000000, -0.0001070200000000, 0.0005609200000000 ] - [ 0.0003842500000000, -0.0001774600000000, 0.0003840800000000 ] - [ 0.0003901100000000, -0.0000971200000000, 0.0003119500000000 ] - [ 0.0000049800000000, -0.0005661200000000, 0.0004225700000000 ] - [ 0.0001217500000000, -0.0002788500000000, 0.0002392000000000 ] - [ -0.0000204900000000, -0.0006047700000000, 0.0002737600000000 ] - [ -0.0001863300000000, -0.0001985600000000, 0.0002270300000000 ] - [ 0.0028595000000000, 0.0006923000000000, -0.0008811500000000 ] - [ 0.0003182300000000, 0.0001959200000000, -0.0000593400000000 ] - [ 0.0011528100000000, -0.0021626200000000, 0.0011837400000000 ] - [ 0.0010121200000000, 0.0019846000000000, -0.0002773200000000 ] - [ -0.0095648100000000, 0.0007689800000000, -0.0062414400000000 ] - [ -0.0011684700000000, -0.0010712600000000, 0.0005378700000000 ] - [ -0.0778305000000000, 0.1409848500000000, 0.2278533100000000 ] - [ -0.0004749100000000, -0.0001648100000000, 0.0024135900000000 ] - [ -0.0000961400000000, 0.0002807900000000, -0.0014888000000000 ] - [ -0.0000829600000000, 0.0002759700000000, -0.0012576700000000 ] - [ -0.0003698300000000, -0.0010279900000000, 0.0022796000000000 ] - [ 0.0004332900000000, -0.0012343500000000, 0.0023536000000000 ] - [ -0.0005365800000000, -0.0003814100000000, -0.0010203600000000 ] - [ -0.0004528300000000, -0.0004425300000000, -0.0008325100000000 ] - [ 0.0003938300000000, 0.0011229700000000, 0.0031902600000000 ] - [ 0.0001479200000000, 0.0001646700000000, 0.0022094900000000 ] - [ 0.0006025100000000, 0.0004920600000000, -0.0000587000000000 ] - [ 0.0004299600000000, -0.0005508000000000, -0.0000012500000000 ] - [ 0.0000973600000000, -0.0004190200000000, -0.0011542300000000 ] - [ 0.0000326400000000, -0.0005031800000000, -0.0012526100000000 ] - [ 0.0000086200000000, -0.0008040100000000, -0.0028207000000000 ] - [ 0.0001036700000000, -0.0006916500000000, -0.0020097700000000 ] - [ 0.0018156700000000, -0.0058819800000000, -0.0089985300000000 ] - [ 0.0005449200000000, 0.0020369500000000, -0.0002034500000000 ] - [ 0.0005120600000000, -0.0002954600000000, -0.0012729500000000 ] - [ 0.0002144100000000, 0.0001053000000000, -0.0009961100000000 ] - [ -0.0025310700000000, 0.0011151900000000, -0.0003908900000000 ] - [ -0.0010111800000000, -0.0011935000000000, -0.0009337700000000 ] - [ -0.0003703500000000, 0.0002174200000000, -0.0010964400000000 ] - [ -0.0003741000000000, -0.0000655600000000, -0.0007436800000000 ] - [ 0.0002396400000000, 0.0003089700000000, -0.0014533900000000 ] - [ 0.0001794800000000, -0.0000676800000000, -0.0007396000000000 ] - [ -0.0010051300000000, 0.0000035400000000, -0.0009835000000000 ] - [ 0.0001494000000000, -0.0001792200000000, 0.0002112100000000 ] - [ 0.0073396700000000, -0.0021811300000000, 0.0026733600000000 ] - [ 0.0007470400000000, -0.0007811100000000, 0.0019584500000000 ] - [ -0.0002262300000000, -0.0009755400000000, -0.0031161900000000 ] - [ 0.0000757100000000, -0.0000101800000000, -0.0010983400000000 ] - [ 0.0124699800000000, -0.0126799400000000, -0.0376825000000000 ] - [ 0.0000727100000000, -0.0010825600000000, 0.0017169400000000 ] - [ -0.0016395500000000, 0.0057336400000000, -0.0003579900000000 ] - [ -0.0000133700000000, -0.0053709800000000, -0.0022235000000000 ] - [ 0.0001251400000000, 0.0003181500000000, -0.0007245300000000 ] - [ 0.0001331200000000, -0.0005740500000000, -0.0008336300000000 ] - [ 0.0057670000000000, -0.0120321300000000, 0.0055679100000000 ] - [ 0.0000979700000000, -0.0010149300000000, 0.0024191300000000 ] - [ 0.0009317200000000, -0.0001839800000000, -0.0016137000000000 ] - [ 0.0007743400000000, -0.0000681000000000, -0.0010478300000000 ] - [ -0.0004433000000000, 0.0003265400000000, -0.0008427900000000 ] - [ -0.0003682100000000, -0.0002673100000000, -0.0001957100000000 ] - [ 0.0002533500000000, -0.0008843500000000, -0.0016189700000000 ] - [ 0.0002185700000000, -0.0009739100000000, -0.0015551400000000 ] - [ 0.0002892400000000, 0.0004794400000000, -0.0017179900000000 ] - [ 0.0001779200000000, 0.0002038300000000, -0.0013045500000000 ] - [ -0.0002422800000000, 0.0004001300000000, -0.0011619500000000 ] - [ -0.0002151600000000, 0.0002288200000000, -0.0009419900000000 ] - [ 0.0026692900000000, 0.0021782400000000, 0.0035804700000000 ] - [ 0.0008435600000000, -0.0007470000000000, 0.0013362100000000 ] - [ 0.0000248300000000, 0.0006034400000000, -0.0008203800000000 ] - [ -0.0001084400000000, 0.0001694700000000, -0.0007324900000000 ] - [ -0.0101816700000000, -0.0178314100000000, -0.0027798100000000 ] - [ 0.0001237500000000, 0.0006304600000000, 0.0015803600000000 ] - [ 0.0032775400000000, 0.0049683900000000, -0.0035519200000000 ] - [ 0.0019980600000000, -0.0021517600000000, 0.0012090200000000 ] - [ -0.0002075300000000, 0.0001423600000000, -0.0010896600000000 ] - [ -0.0001361900000000, 0.0000608200000000, -0.0012020900000000 ] - [ 0.0016576200000000, -0.0018815200000000, -0.0004422800000000 ] - [ 0.0008397600000000, 0.0004830200000000, 0.0005377500000000 ] - [ -0.0003532700000000, -0.0011887700000000, -0.0026159400000000 ] - [ -0.0000419100000000, 0.0021587700000000, -0.0025791800000000 ] - [ -0.0005233400000000, -0.0009375800000000, -0.0012873800000000 ] - [ -0.0001437300000000, -0.0001684700000000, -0.0009265300000000 ] - [ -0.0004972600000000, 0.0004734700000000, -0.0015296800000000 ] - [ -0.0001564600000000, -0.0025702700000000, -0.0027971500000000 ] - [ -0.0008312100000000, 0.0002499300000000, -0.0010871800000000 ] - [ -0.0003517600000000, -0.0000902400000000, -0.0001350700000000 ]- atom: 61 displacement: [ 0.0099999541101204, 0.0000000000000000, -0.0000302951396548 ] forces: - [ -0.0000585400000000, 0.0000368000000000, -0.0001616900000000 ] - [ -0.0000450400000000, 0.0000654000000000, -0.0001412100000000 ] - [ 0.0000178400000000, -0.0000963400000000, -0.0001041000000000 ] - [ -0.0000032300000000, -0.0000456200000000, -0.0001139300000000 ] - [ 0.0000245500000000, -0.0001117200000000, 0.0003501500000000 ] - [ -0.0000106800000000, 0.0000393800000000, 0.0001705000000000 ] - [ 0.0001737200000000, 0.0001664500000000, 0.0004393000000000 ] - [ 0.0000931100000000, 0.0001280900000000, 0.0003158400000000 ] - [ 0.0328896900000000, -0.0192797100000000, 0.0399906600000000 ] - [ 0.0007573100000000, -0.0003957000000000, -0.0001444100000000 ] - [ -0.0006548700000000, -0.0001682100000000, -0.0002546000000000 ] - [ -0.0004350000000000, -0.0000782700000000, -0.0004485300000000 ] - [ -0.0025965700000000, 0.0011452900000000, 0.0023271100000000 ] - [ -0.0000711100000000, -0.0003386200000000, 0.0003416200000000 ] - [ -0.0109072600000000, 0.0047080900000000, -0.0050355500000000 ] - [ -0.0001484800000000, -0.0003484400000000, -0.0005035900000000 ] - [ 0.0035776200000000, 0.0006204700000000, -0.0012260000000000 ] - [ 0.0007098100000000, 0.0029388300000000, -0.0024362400000000 ] - [ -0.0000787700000000, 0.0002044300000000, -0.0003292500000000 ] - [ 0.0000025000000000, -0.0001229400000000, 0.0000388800000000 ] - [ -0.0068745400000000, -0.0025716300000000, -0.0035280700000000 ] - [ -0.0012839300000000, 0.0019773500000000, 0.0007995400000000 ] - [ -0.0004123600000000, -0.0003056500000000, -0.0003692800000000 ] - [ -0.0002706100000000, 0.0002531000000000, -0.0003684700000000 ] - [ 0.0013954500000000, -0.0004448600000000, 0.0007568000000000 ] - [ -0.0000236000000000, 0.0006540500000000, 0.0002354600000000 ] - [ 0.0004318800000000, 0.0001617500000000, 0.0000059900000000 ] - [ 0.0004212900000000, 0.0000448700000000, 0.0000086000000000 ] - [ -0.0028933300000000, 0.0000362700000000, -0.0003528400000000 ] - [ -0.0056036400000000, -0.0021856500000000, -0.0008150200000000 ] - [ -0.0090286900000000, -0.0021909400000000, -0.0005518100000000 ] - [ -0.0027108900000000, -0.0001041200000000, 0.0003108600000000 ] - [ -0.0002027100000000, 0.0001794600000000, -0.0001779400000000 ] - [ -0.0002132300000000, 0.0000067100000000, -0.0003327700000000 ] - [ 0.0012377800000000, -0.0010324300000000, 0.0000192400000000 ] - [ 0.0005430800000000, 0.0002036400000000, 0.0002567900000000 ] - [ -0.0006105600000000, -0.0000203100000000, 0.0000525500000000 ] - [ -0.0004683700000000, 0.0000755300000000, 0.0000722000000000 ] - [ 0.0816092400000000, 0.0324263100000000, -0.0574452500000000 ] - [ 0.0023636200000000, -0.0000241300000000, -0.0001017100000000 ] - [ 0.0001666000000000, 0.0002584500000000, 0.0001744500000000 ] - [ 0.0001366800000000, 0.0003601500000000, 0.0002051200000000 ] - [ -0.0007868400000000, 0.0000574700000000, 0.0000615300000000 ] - [ -0.0004415200000000, 0.0001943300000000, 0.0000449400000000 ] - [ -0.0001387000000000, -0.0000725400000000, -0.0003367300000000 ] - [ -0.0003228600000000, -0.0001421800000000, -0.0001589300000000 ] - [ 0.0020597500000000, 0.0015506900000000, 0.0018644900000000 ] - [ 0.0009881800000000, -0.0007654200000000, 0.0007658900000000 ] - [ 0.0003260500000000, -0.0007161600000000, 0.0000665400000000 ] - [ 0.0002218000000000, -0.0002105300000000, 0.0000471800000000 ] - [ -0.0011531000000000, 0.0010899600000000, -0.0014547400000000 ] - [ -0.0010770200000000, -0.0010860900000000, 0.0004443100000000 ] - [ 0.0003293100000000, 0.0001334400000000, 0.0000704400000000 ] - [ 0.0003369200000000, 0.0001509200000000, 0.0000889800000000 ] - [ -0.0000219200000000, 0.0004077300000000, -0.0000574200000000 ] - [ -0.0000116300000000, 0.0004267400000000, -0.0000697400000000 ] - [ -0.0004567700000000, -0.0001804500000000, -0.0000992300000000 ] - [ -0.0004685100000000, -0.0002089600000000, -0.0001038600000000 ] - [ -0.0000200400000000, 0.0003908500000000, 0.0001929500000000 ] - [ -0.0000333500000000, 0.0003558400000000, 0.0001817200000000 ] - [ -0.1156958100000000, -0.0142198400000000, 0.0303294600000000 ] - [ -0.0008334500000000, -0.0001364000000000, 0.0002382800000000 ] - [ -0.0000800000000000, 0.0003202900000000, -0.0001322000000000 ] - [ 0.0000108700000000, 0.0003875200000000, -0.0002229200000000 ] - [ 0.0099694800000000, 0.0179443900000000, -0.0173961900000000 ] - [ -0.0008052700000000, -0.0009912300000000, -0.0001902100000000 ] - [ -0.0001547800000000, 0.0001325800000000, 0.0001507300000000 ] - [ -0.0001356300000000, 0.0001475200000000, 0.0001713300000000 ] - [ -0.0002637600000000, 0.0002416800000000, -0.0002001400000000 ] - [ 0.0000347300000000, 0.0001536800000000, -0.0002367200000000 ] - [ 0.0045044100000000, 0.0036444100000000, 0.0041721400000000 ] - [ 0.0016069400000000, -0.0004647800000000, 0.0000884000000000 ] - [ 0.0009638400000000, -0.0002064200000000, 0.0001415600000000 ] - [ 0.0009678600000000, 0.0008501300000000, 0.0010658500000000 ] - [ 0.0002828500000000, 0.0002679800000000, 0.0000347400000000 ] - [ 0.0002741800000000, 0.0001333700000000, 0.0000953400000000 ] - [ 0.0069248600000000, 0.0013994800000000, -0.0027484200000000 ] - [ 0.0013830200000000, -0.0009219000000000, -0.0000462900000000 ] - [ -0.0002506900000000, 0.0003813400000000, -0.0001265700000000 ] - [ -0.0003120600000000, -0.0000532200000000, -0.0001229300000000 ] - [ 0.0027710200000000, -0.0059125800000000, -0.0017953500000000 ] - [ -0.0001021400000000, 0.0012148000000000, -0.0005142700000000 ] - [ -0.0002030200000000, 0.0003207900000000, -0.0010291700000000 ] - [ 0.0001413600000000, -0.0002864500000000, -0.0000441600000000 ] - [ -0.0004095400000000, 0.0001976800000000, 0.0003829500000000 ] - [ -0.0000904700000000, -0.0000830400000000, 0.0001451900000000 ] - [ -0.0000652700000000, 0.0001227200000000, 0.0000505200000000 ] - [ -0.0000475200000000, 0.0000851000000000, 0.0000526300000000 ] - [ 0.0021031300000000, -0.0002926700000000, 0.0008316200000000 ] - [ 0.0008798500000000, -0.0006643200000000, 0.0000737500000000 ] - [ 0.0002692500000000, 0.0001917800000000, -0.0001932900000000 ] - [ 0.0001947200000000, 0.0001373200000000, -0.0002053200000000 ] - [ -0.0002931700000000, 0.0000988600000000, 0.0002818100000000 ] - [ -0.0003018500000000, 0.0001263200000000, 0.0003267800000000 ] - [ -0.0001541400000000, -0.0006516800000000, -0.0005233700000000 ] - [ -0.0003761400000000, -0.0000661100000000, -0.0000486100000000 ] - [ 0.0003025000000000, -0.0000497000000000, -0.0000098400000000 ] - [ 0.0002407600000000, -0.0000474000000000, 0.0000143200000000 ] - [ -0.0012853800000000, 0.0006558400000000, 0.0007661800000000 ] - [ 0.0001852800000000, -0.0005823700000000, -0.0004644000000000 ] - [ -0.0018909000000000, 0.0004957000000000, 0.0007481200000000 ] - [ -0.0005780000000000, 0.0005581900000000, 0.0006447500000000 ] - [ -0.0063396000000000, -0.0006909600000000, -0.0135760300000000 ] - [ -0.0010638000000000, -0.0005805000000000, -0.0002811800000000 ] - [ 0.0029344800000000, -0.0010026700000000, 0.0002541600000000 ] - [ 0.0012780800000000, 0.0000171700000000, -0.0001506700000000 ] - [ -0.0056050200000000, -0.0200195100000000, 0.0212752300000000 ] - [ -0.0011666600000000, 0.0004702600000000, 0.0002634900000000 ] - [ -0.0002167000000000, -0.0000295100000000, -0.0000601200000000 ] - [ -0.0002475100000000, -0.0000734500000000, -0.0000793000000000 ] - [ -0.0004444700000000, 0.0002459100000000, -0.0000019300000000 ] - [ 0.0002485400000000, 0.0000545900000000, 0.0001906500000000 ] - [ 0.0002174900000000, 0.0001677300000000, 0.0000377400000000 ] - [ 0.0000861300000000, 0.0001162800000000, -0.0000469700000000 ] - [ 0.0002361300000000, 0.0001406700000000, 0.0000941400000000 ] - [ 0.0002259800000000, 0.0001364400000000, 0.0001412700000000 ] - [ 0.0026749100000000, -0.0008745100000000, 0.0000830600000000 ] - [ 0.0015104800000000, -0.0002325200000000, -0.0000478300000000 ] - [ 0.0005749900000000, -0.0001217000000000, -0.0004353700000000 ] - [ 0.0004084000000000, -0.0002573100000000, -0.0001455200000000 ] - [ 0.0016926900000000, 0.0002316100000000, 0.0001875900000000 ] - [ 0.0006146800000000, 0.0000672200000000, -0.0002566500000000 ] - [ 0.0119084400000000, -0.0018000700000000, 0.0024629100000000 ] - [ 0.0011280200000000, 0.0009108500000000, 0.0009181700000000 ] - [ 0.0001055200000000, -0.0001265400000000, -0.0002213700000000 ] - [ 0.0001639400000000, -0.0000123300000000, -0.0000934400000000 ] - [ -0.0005513900000000, 0.0002002100000000, 0.0014782400000000 ] - [ -0.0003311300000000, 0.0002820200000000, -0.0000240800000000 ]- atom: 61 displacement: [ -0.0099999541101204, 0.0000000000000000, 0.0000302951396548 ] forces: - [ -0.0000650100000000, 0.0000754200000000, -0.0001616600000000 ] - [ -0.0000773000000000, 0.0000474000000000, -0.0001813700000000 ] - [ 0.0000520400000000, -0.0000167200000000, -0.0000838800000000 ] - [ 0.0000723700000000, -0.0000671000000000, -0.0000754900000000 ] - [ 0.0000249600000000, 0.0001195200000000, -0.0001637200000000 ] - [ 0.0000596900000000, -0.0000322000000000, 0.0000128800000000 ] - [ -0.0000492000000000, -0.0000439700000000, -0.0001050200000000 ] - [ 0.0000303900000000, -0.0000077700000000, 0.0000159400000000 ] - [ -0.0330330600000000, 0.0199577100000000, -0.0411811300000000 ] - [ -0.0007088200000000, 0.0003883900000000, 0.0003237100000000 ] - [ 0.0006013500000000, 0.0001626900000000, 0.0000786500000000 ] - [ 0.0003808200000000, 0.0000694400000000, 0.0002661800000000 ] - [ 0.0024795800000000, -0.0010301400000000, -0.0021235700000000 ] - [ -0.0000009200000000, 0.0004516200000000, -0.0001538200000000 ] - [ 0.0108990700000000, -0.0048141900000000, 0.0046759800000000 ] - [ 0.0000273200000000, 0.0002206300000000, 0.0001654400000000 ] - [ -0.0034238700000000, -0.0007177200000000, 0.0015508600000000 ] - [ -0.0005918200000000, -0.0030916000000000, 0.0027804900000000 ] - [ 0.0000053300000000, -0.0003247400000000, 0.0005266200000000 ] - [ -0.0000743900000000, 0.0000028600000000, 0.0001567800000000 ] - [ 0.0069462500000000, 0.0026967700000000, 0.0033314900000000 ] - [ 0.0013494700000000, -0.0018689100000000, -0.0010039700000000 ] - [ 0.0003587900000000, 0.0003122800000000, 0.0001952500000000 ] - [ 0.0002178400000000, -0.0002545300000000, 0.0001934800000000 ] - [ -0.0011909200000000, 0.0002617900000000, -0.0005282100000000 ] - [ 0.0002289100000000, -0.0008187400000000, -0.0000133200000000 ] - [ 0.0003620500000000, -0.0000551800000000, -0.0001357000000000 ] - [ 0.0003641700000000, 0.0000631000000000, -0.0001405800000000 ] - [ 0.0021155800000000, -0.0001361300000000, 0.0004776700000000 ] - [ 0.0047873700000000, 0.0020670600000000, 0.0009411000000000 ] - [ 0.0088040100000000, 0.0020395900000000, 0.0003570500000000 ] - [ 0.0024989400000000, -0.0000782900000000, -0.0005335600000000 ] - [ -0.0000125400000000, -0.0000026100000000, -0.0000347000000000 ] - [ 0.0000014400000000, 0.0001697800000000, 0.0001150000000000 ] - [ -0.0010297300000000, 0.0012247700000000, 0.0001926900000000 ] - [ -0.0003349700000000, -0.0000290700000000, -0.0000353500000000 ] - [ -0.0001818900000000, 0.0001280300000000, 0.0000923200000000 ] - [ -0.0003215100000000, 0.0000275900000000, 0.0000699000000000 ] - [ -0.0800705600000000, -0.0328705600000000, 0.0579307800000000 ] - [ -0.0015782700000000, -0.0000803400000000, -0.0000466200000000 ] - [ -0.0001315000000000, 0.0005803600000000, -0.0000563600000000 ] - [ -0.0001023200000000, 0.0004826300000000, -0.0000883900000000 ] - [ 0.0002606500000000, 0.0002341100000000, -0.0001748300000000 ] - [ -0.0000843300000000, 0.0000980600000000, -0.0001592700000000 ] - [ -0.0003854500000000, -0.0002182700000000, 0.0002207500000000 ] - [ -0.0002038100000000, -0.0001508500000000, 0.0000431900000000 ] - [ -0.0015184700000000, -0.0018442700000000, -0.0017495600000000 ] - [ -0.0004604500000000, 0.0004665100000000, -0.0006471600000000 ] - [ -0.0002887400000000, -0.0001232800000000, 0.0000542000000000 ] - [ -0.0001864100000000, -0.0006309200000000, 0.0000681900000000 ] - [ 0.0011116300000000, -0.0019325300000000, 0.0013212700000000 ] - [ 0.0010409600000000, 0.0002355400000000, -0.0005577200000000 ] - [ 0.0001977600000000, 0.0001584500000000, 0.0000471900000000 ] - [ 0.0001903300000000, 0.0001412300000000, 0.0000282200000000 ] - [ -0.0000136100000000, 0.0004348000000000, -0.0000572300000000 ] - [ -0.0000250700000000, 0.0004143100000000, -0.0000456000000000 ] - [ -0.0003866100000000, -0.0002115100000000, -0.0000939600000000 ] - [ -0.0003754300000000, -0.0001779400000000, -0.0000953700000000 ] - [ -0.0001003600000000, 0.0003235600000000, 0.0001683800000000 ] - [ -0.0000787600000000, 0.0003688100000000, 0.0001829500000000 ] - [ 0.1149894400000000, 0.0139058400000000, -0.0293204400000000 ] - [ 0.0006038100000000, -0.0001809800000000, 0.0002007600000000 ] - [ 0.0002037000000000, 0.0003949400000000, -0.0002369500000000 ] - [ 0.0001103800000000, 0.0003251200000000, -0.0001433900000000 ] - [ -0.0102395800000000, -0.0185095400000000, 0.0177581500000000 ] - [ 0.0007001200000000, 0.0007728800000000, 0.0003184900000000 ] - [ -0.0000834300000000, 0.0001817900000000, 0.0002766200000000 ] - [ -0.0000987000000000, 0.0001683400000000, 0.0002555100000000 ] - [ 0.0009472400000000, -0.0000260500000000, -0.0004213400000000 ] - [ 0.0006480300000000, 0.0000660300000000, -0.0003857000000000 ] - [ -0.0040974400000000, -0.0035568900000000, -0.0040356400000000 ] - [ -0.0012544500000000, 0.0004974900000000, -0.0000289400000000 ] - [ -0.0007275600000000, -0.0001070200000000, -0.0005705100000000 ] - [ -0.0007344000000000, -0.0011550600000000, -0.0014780900000000 ] - [ 0.0001398000000000, 0.0001264300000000, -0.0000525300000000 ] - [ 0.0001501100000000, 0.0002610700000000, -0.0001085700000000 ] - [ -0.0075547500000000, -0.0015950500000000, 0.0033370500000000 ] - [ -0.0020658900000000, 0.0006973400000000, 0.0006732500000000 ] - [ -0.0000653700000000, -0.0000984200000000, -0.0000942400000000 ] - [ -0.0000060100000000, 0.0003381600000000, -0.0001003000000000 ] - [ -0.0035737000000000, 0.0062110300000000, 0.0015657600000000 ] - [ -0.0007392800000000, -0.0008057900000000, 0.0003314200000000 ] - [ -0.0001085700000000, -0.0006031600000000, 0.0008043100000000 ] - [ -0.0004558400000000, -0.0000019200000000, -0.0001741900000000 ] - [ 0.0002786600000000, 0.0000207300000000, 0.0002522200000000 ] - [ -0.0000423200000000, 0.0003001200000000, 0.0004928900000000 ] - [ -0.0000422800000000, 0.0000950200000000, 0.0000683500000000 ] - [ -0.0000657100000000, 0.0001356100000000, 0.0000664800000000 ] - [ -0.0016732900000000, -0.0001140600000000, -0.0008479600000000 ] - [ -0.0004561100000000, 0.0002741800000000, -0.0000897700000000 ] - [ -0.0000400800000000, 0.0001250900000000, -0.0002446700000000 ] - [ 0.0000333500000000, 0.0001795500000000, -0.0002279500000000 ] - [ -0.0003806400000000, 0.0001116500000000, 0.0003250500000000 ] - [ -0.0003767000000000, 0.0000885500000000, 0.0002851200000000 ] - [ -0.0002688400000000, 0.0002489900000000, 0.0005269200000000 ] - [ -0.0000466200000000, -0.0003245700000000, 0.0000590800000000 ] - [ 0.0000522700000000, 0.0000016400000000, 0.0000759100000000 ] - [ 0.0001124200000000, 0.0000089900000000, 0.0000464000000000 ] - [ 0.0019643700000000, -0.0008593400000000, -0.0013844900000000 ] - [ 0.0004962000000000, 0.0003630200000000, -0.0001554000000000 ] - [ 0.0017604700000000, -0.0007053500000000, -0.0000907300000000 ] - [ 0.0004378900000000, -0.0007684000000000, -0.0000092100000000 ] - [ 0.0066035100000000, 0.0000131400000000, 0.0131717100000000 ] - [ 0.0011763800000000, -0.0001372500000000, -0.0000816100000000 ] - [ -0.0030564900000000, 0.0002794700000000, 0.0001237500000000 ] - [ -0.0014034800000000, -0.0007190800000000, 0.0005162000000000 ] - [ 0.0051130900000000, 0.0200142300000000, -0.0213309800000000 ] - [ 0.0008153000000000, -0.0004326800000000, -0.0003252500000000 ] - [ -0.0001429000000000, -0.0000069100000000, -0.0000046600000000 ] - [ -0.0001222100000000, 0.0000358100000000, 0.0000175100000000 ] - [ 0.0012793800000000, 0.0001405400000000, 0.0001899700000000 ] - [ 0.0005912700000000, 0.0003323700000000, 0.0000095500000000 ] - [ -0.0001067500000000, 0.0000515900000000, -0.0001635400000000 ] - [ 0.0000233600000000, 0.0001024200000000, -0.0000794800000000 ] - [ 0.0000820800000000, 0.0001463400000000, 0.0001242300000000 ] - [ 0.0000916100000000, 0.0001489700000000, 0.0000783600000000 ] - [ -0.0025467900000000, 0.0006486800000000, -0.0001983300000000 ] - [ -0.0014055100000000, 0.0000138200000000, -0.0000688500000000 ] - [ 0.0002653700000000, -0.0002718200000000, 0.0006145800000000 ] - [ 0.0004306300000000, -0.0001382700000000, 0.0003294700000000 ] - [ -0.0015605600000000, -0.0000122800000000, -0.0008431000000000 ] - [ -0.0004839900000000, 0.0001504900000000, -0.0003824100000000 ] - [ -0.0116674500000000, 0.0015501400000000, -0.0022552100000000 ] - [ -0.0008108600000000, -0.0011954400000000, -0.0006967000000000 ] - [ 0.0000235500000000, -0.0000957800000000, -0.0004251500000000 ] - [ -0.0000333500000000, -0.0002053500000000, -0.0005443800000000 ] - [ 0.0001244600000000, 0.0001897300000000, -0.0014861900000000 ] - [ -0.0000933800000000, 0.0001143700000000, 0.0000343400000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000529600000000, -0.0000226800000000, 0.0003993800000000 ] - [ -0.0001682100000000, 0.0000990600000000, 0.0003811800000000 ] - [ 0.0000102000000000, 0.0000117100000000, 0.0005005900000000 ] - [ 0.0000807900000000, -0.0001886900000000, 0.0004690300000000 ] - [ -0.0000027400000000, 0.0005404700000000, 0.0005877900000000 ] - [ 0.0000569800000000, -0.0002786600000000, 0.0007457700000000 ] - [ 0.0000388100000000, 0.0006287000000000, 0.0006741100000000 ] - [ -0.0003241900000000, -0.0005144600000000, 0.0008267200000000 ] - [ -0.0183655900000000, 0.0132696900000000, -0.0263933600000000 ] - [ 0.0000865500000000, -0.0023852900000000, -0.0011544800000000 ] - [ 0.0000740500000000, 0.0004034000000000, 0.0010113300000000 ] - [ -0.0000814300000000, -0.0003009800000000, -0.0000570500000000 ] - [ 0.0008322700000000, 0.0017784900000000, 0.0003721400000000 ] - [ 0.0001399800000000, -0.0011121100000000, 0.0004892000000000 ] - [ 0.0033019200000000, 0.0066126800000000, -0.0037988600000000 ] - [ -0.0008735600000000, -0.0026910500000000, -0.0017490900000000 ] - [ -0.0005498500000000, 0.0003721800000000, -0.0024356100000000 ] - [ -0.0000311200000000, -0.0064173500000000, 0.0041893300000000 ] - [ 0.0001060900000000, 0.0002268700000000, 0.0012810300000000 ] - [ 0.0000846100000000, -0.0006236500000000, 0.0007216400000000 ] - [ -0.0042267600000000, -0.0014555600000000, -0.0046934500000000 ] - [ 0.0014487600000000, -0.0016043500000000, -0.0011953400000000 ] - [ 0.0001399300000000, 0.0002422900000000, -0.0004012800000000 ] - [ 0.0005952300000000, -0.0005577500000000, 0.0001273100000000 ] - [ -0.0015002400000000, -0.0006044800000000, 0.0021196100000000 ] - [ 0.0002695400000000, -0.0002681600000000, 0.0002528200000000 ] - [ 0.0003663400000000, -0.0000072300000000, 0.0010708700000000 ] - [ 0.0003102900000000, -0.0001877200000000, 0.0008377800000000 ] - [ 0.0006261400000000, -0.0012887200000000, 0.0006641600000000 ] - [ -0.0009663900000000, 0.0001146500000000, -0.0011813900000000 ] - [ 0.0021423000000000, 0.0046039200000000, 0.0014398400000000 ] - [ -0.0002232200000000, -0.0022950400000000, -0.0016290900000000 ] - [ -0.0000707700000000, 0.0003470400000000, 0.0006504700000000 ] - [ -0.0001149600000000, -0.0001585200000000, 0.0006989400000000 ] - [ -0.0011653800000000, 0.0051722100000000, -0.0029174300000000 ] - [ 0.0014219000000000, -0.0025254500000000, 0.0066500400000000 ] - [ -0.0001447900000000, 0.0006083900000000, 0.0006040000000000 ] - [ -0.0002897000000000, -0.0000855000000000, 0.0008988600000000 ] - [ 0.0358082800000000, 0.1047419000000000, -0.1015288700000000 ] - [ 0.0005726400000000, -0.0055445200000000, -0.0023361700000000 ] - [ -0.0002566600000000, 0.0005683300000000, 0.0003575500000000 ] - [ 0.0000293300000000, 0.0004186100000000, -0.0000551000000000 ] - [ -0.0002987100000000, 0.0002253600000000, 0.0000427700000000 ] - [ -0.0003526500000000, 0.0000642200000000, -0.0001663700000000 ] - [ -0.0000870500000000, -0.0000698300000000, 0.0001093100000000 ] - [ -0.0000319800000000, -0.0002431300000000, 0.0001597000000000 ] - [ 0.0002665500000000, -0.0008526900000000, -0.0018112300000000 ] - [ -0.0009254800000000, -0.0014213300000000, 0.0005515700000000 ] - [ 0.0000788000000000, 0.0003204300000000, 0.0005602200000000 ] - [ -0.0001959500000000, -0.0008176600000000, -0.0000489500000000 ] - [ 0.0003705600000000, -0.0016292700000000, 0.0002654500000000 ] - [ -0.0014884700000000, -0.0002542500000000, 0.0002183500000000 ] - [ 0.0004562700000000, 0.0001555000000000, 0.0002932400000000 ] - [ 0.0002956300000000, 0.0001292500000000, 0.0001490900000000 ] - [ 0.0000273100000000, 0.0005316200000000, 0.0000453600000000 ] - [ -0.0000385100000000, 0.0003752700000000, 0.0000296400000000 ] - [ -0.0005616200000000, -0.0002018500000000, -0.0004522300000000 ] - [ -0.0004203500000000, -0.0001193400000000, -0.0003277700000000 ] - [ -0.0000623700000000, 0.0000507700000000, -0.0002520000000000 ] - [ -0.0000315200000000, 0.0002276800000000, -0.0002418600000000 ] - [ -0.0129013800000000, -0.1424612000000000, 0.1661144300000000 ] - [ -0.0000612000000000, 0.0014718000000000, 0.0006858400000000 ] - [ 0.0002314900000000, 0.0004489600000000, -0.0008287600000000 ] - [ 0.0001795700000000, 0.0007305900000000, -0.0007172700000000 ] - [ 0.0157005600000000, 0.0043320100000000, -0.0124950400000000 ] - [ 0.0002826000000000, 0.0021634300000000, 0.0012872800000000 ] - [ -0.0000622500000000, -0.0000994400000000, -0.0004535600000000 ] - [ -0.0000757600000000, 0.0000841600000000, -0.0003800200000000 ] - [ 0.0003992600000000, -0.0007641200000000, 0.0002694800000000 ] - [ 0.0012138400000000, 0.0006640500000000, -0.0022948100000000 ] - [ 0.0012304500000000, -0.0011387700000000, 0.0013442300000000 ] - [ -0.0009911900000000, 0.0019648300000000, 0.0006109400000000 ] - [ -0.0009136900000000, 0.0000470400000000, -0.0010003500000000 ] - [ 0.0001344000000000, 0.0000443500000000, 0.0002541700000000 ] - [ 0.0002402100000000, 0.0003705700000000, -0.0005529600000000 ] - [ 0.0001733400000000, 0.0001173400000000, -0.0002857500000000 ] - [ -0.0010323200000000, -0.0018097300000000, 0.0009847600000000 ] - [ -0.0007826100000000, 0.0011657900000000, 0.0009691700000000 ] - [ 0.0001799200000000, -0.0004098400000000, 0.0005391000000000 ] - [ -0.0011591500000000, 0.0001555500000000, -0.0014778800000000 ] - [ -0.0025154800000000, 0.0024690100000000, 0.0016856000000000 ] - [ 0.0012999200000000, 0.0015875800000000, -0.0000184100000000 ] - [ 0.0001167000000000, -0.0006592000000000, -0.0006354900000000 ] - [ -0.0002504900000000, 0.0001903000000000, -0.0002489600000000 ] - [ 0.0001852100000000, -0.0002851000000000, -0.0009266900000000 ] - [ -0.0001332900000000, 0.0002320200000000, 0.0002419600000000 ] - [ -0.0001573500000000, 0.0002174000000000, -0.0002457000000000 ] - [ -0.0001753600000000, 0.0002155800000000, -0.0003191400000000 ] - [ 0.0005616300000000, -0.0024175700000000, 0.0008753200000000 ] - [ -0.0001465400000000, 0.0014018800000000, 0.0003289900000000 ] - [ 0.0001159200000000, -0.0000136600000000, -0.0003229100000000 ] - [ 0.0000581900000000, 0.0004492800000000, -0.0006985400000000 ] - [ -0.0002623200000000, 0.0000047300000000, -0.0000193000000000 ] - [ -0.0002177200000000, 0.0001653000000000, -0.0000353400000000 ] - [ -0.0003076300000000, -0.0001747500000000, 0.0001255800000000 ] - [ 0.0001190100000000, 0.0003746600000000, -0.0005836500000000 ] - [ 0.0002062900000000, -0.0000668600000000, -0.0002714100000000 ] - [ 0.0000660200000000, 0.0002148700000000, -0.0002890200000000 ] - [ 0.0023184200000000, -0.0006728700000000, -0.0030509600000000 ] - [ 0.0003944800000000, 0.0001207400000000, -0.0001412400000000 ] - [ 0.0011378300000000, 0.0012686200000000, 0.0052486400000000 ] - [ -0.0008737000000000, 0.0073152400000000, -0.0073971800000000 ] - [ -0.0038167400000000, -0.0079791800000000, 0.0123798600000000 ] - [ 0.0003338300000000, 0.0026646000000000, 0.0010850700000000 ] - [ 0.0000940100000000, 0.0000748300000000, 0.0002086600000000 ] - [ -0.0002397100000000, -0.0004082900000000, 0.0011456700000000 ] - [ -0.0097202500000000, 0.0176987000000000, -0.0307555700000000 ] - [ -0.0002644300000000, 0.0020579300000000, 0.0009929100000000 ] - [ -0.0001444800000000, -0.0000459700000000, -0.0002756900000000 ] - [ -0.0000815100000000, -0.0001664500000000, -0.0005474800000000 ] - [ 0.0003930600000000, -0.0004557000000000, 0.0000051000000000 ] - [ 0.0004585400000000, 0.0007185100000000, -0.0001277600000000 ] - [ -0.0003365400000000, -0.0002016600000000, -0.0004760400000000 ] - [ -0.0001018700000000, 0.0001602000000000, -0.0003871900000000 ] - [ 0.0001715400000000, 0.0000996200000000, -0.0001921800000000 ] - [ 0.0000950200000000, 0.0003580800000000, -0.0002591300000000 ] - [ 0.0006048400000000, -0.0008127100000000, 0.0003574900000000 ] - [ -0.0003884400000000, 0.0007804400000000, -0.0003608200000000 ] - [ 0.0006783200000000, -0.0006543000000000, -0.0005882800000000 ] - [ 0.0005544000000000, 0.0000819900000000, 0.0002592300000000 ] - [ -0.0003807900000000, -0.0005308500000000, -0.0008668500000000 ] - [ 0.0000740400000000, 0.0003860900000000, 0.0001263000000000 ] - [ -0.0064647400000000, -0.0009452000000000, -0.0011813200000000 ] - [ 0.0006936700000000, 0.0012919300000000, 0.0013647000000000 ] - [ 0.0000223200000000, -0.0005252400000000, -0.0009014800000000 ] - [ -0.0000716300000000, 0.0000350800000000, -0.0008296400000000 ] - [ -0.0008517900000000, -0.0017242900000000, -0.0016495300000000 ] - [ -0.0009713600000000, 0.0029138200000000, -0.0010203600000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000650900000000, 0.0001530300000000, -0.0007380500000000 ] - [ 0.0000495100000000, 0.0000315000000000, -0.0007204700000000 ] - [ 0.0000710800000000, -0.0001282700000000, -0.0007071800000000 ] - [ 0.0000001700000000, 0.0000740100000000, -0.0006772900000000 ] - [ 0.0000281400000000, -0.0005272100000000, -0.0004167000000000 ] - [ -0.0000295800000000, 0.0002956100000000, -0.0005776700000000 ] - [ 0.0000762100000000, -0.0004877600000000, -0.0003262700000000 ] - [ 0.0004384700000000, 0.0006540000000000, -0.0004789400000000 ] - [ 0.0180685400000000, -0.0135504400000000, 0.0259868300000000 ] - [ -0.0000582800000000, 0.0023717100000000, 0.0013144800000000 ] - [ -0.0001054100000000, -0.0004214300000000, -0.0011735300000000 ] - [ 0.0000511000000000, 0.0002863800000000, -0.0001046800000000 ] - [ -0.0009691900000000, -0.0016689400000000, -0.0001395000000000 ] - [ -0.0002214700000000, 0.0012261300000000, -0.0002812600000000 ] - [ -0.0033765900000000, -0.0067577400000000, 0.0034581100000000 ] - [ 0.0007505600000000, 0.0025431900000000, 0.0013974100000000 ] - [ 0.0006958200000000, -0.0004645300000000, 0.0027754700000000 ] - [ 0.0001626300000000, 0.0062896300000000, -0.0038431800000000 ] - [ -0.0001866300000000, -0.0003488300000000, -0.0010632000000000 ] - [ -0.0001652000000000, 0.0005005700000000, -0.0005048400000000 ] - [ 0.0043052800000000, 0.0015774900000000, 0.0044725700000000 ] - [ -0.0013567300000000, 0.0017261700000000, 0.0009771400000000 ] - [ -0.0001643000000000, -0.0002310400000000, 0.0002370100000000 ] - [ -0.0006213200000000, 0.0005714500000000, -0.0002915600000000 ] - [ 0.0015980600000000, 0.0003955700000000, -0.0018633500000000 ] - [ -0.0001645900000000, 0.0000900000000000, -0.0000046700000000 ] - [ 0.0003342400000000, 0.0001041700000000, -0.0012178700000000 ] - [ 0.0003948500000000, 0.0002820500000000, -0.0009859800000000 ] - [ -0.0013339900000000, 0.0011883100000000, -0.0005037900000000 ] - [ 0.0002689900000000, -0.0001850400000000, 0.0013300700000000 ] - [ -0.0022425900000000, -0.0048055200000000, -0.0016932800000000 ] - [ 0.0001117700000000, 0.0020929100000000, 0.0013825800000000 ] - [ -0.0000354500000000, -0.0001446700000000, -0.0008895200000000 ] - [ 0.0000026700000000, 0.0003557400000000, -0.0009404600000000 ] - [ 0.0012679500000000, -0.0049703200000000, 0.0031620400000000 ] - [ -0.0013062000000000, 0.0027138600000000, -0.0063811300000000 ] - [ -0.0005587300000000, -0.0005100700000000, -0.0004387500000000 ] - [ -0.0004196400000000, 0.0001877100000000, -0.0007277900000000 ] - [ -0.0363686300000000, -0.1052853600000000, 0.1047061100000000 ] - [ 0.0001421300000000, 0.0054205200000000, 0.0021546300000000 ] - [ 0.0002433200000000, 0.0004127400000000, -0.0002672600000000 ] - [ -0.0000414700000000, 0.0005618900000000, 0.0001433000000000 ] - [ -0.0000747400000000, 0.0000945200000000, -0.0001186100000000 ] - [ -0.0000197100000000, 0.0002552900000000, 0.0000900900000000 ] - [ -0.0002786600000000, -0.0002492700000000, -0.0001852900000000 ] - [ -0.0003340600000000, -0.0000751700000000, -0.0002350000000000 ] - [ 0.0001044700000000, 0.0005265500000000, 0.0018877500000000 ] - [ 0.0012895800000000, 0.0010932400000000, -0.0004703200000000 ] - [ -0.0000872800000000, -0.0013063200000000, -0.0004705500000000 ] - [ 0.0001827900000000, -0.0001644100000000, 0.0001342900000000 ] - [ -0.0003533900000000, 0.0006445300000000, -0.0003546000000000 ] - [ 0.0014886300000000, -0.0007233000000000, -0.0003069500000000 ] - [ -0.0000828200000000, 0.0001635600000000, -0.0002154000000000 ] - [ 0.0000748800000000, 0.0001900900000000, -0.0000720700000000 ] - [ -0.0000156100000000, 0.0004484400000000, -0.0001323200000000 ] - [ 0.0000517200000000, 0.0006073600000000, -0.0001158300000000 ] - [ -0.0001623700000000, -0.0003744900000000, 0.0002547500000000 ] - [ -0.0003020200000000, -0.0004626500000000, 0.0001327400000000 ] - [ -0.0001074100000000, 0.0005670900000000, 0.0005815300000000 ] - [ -0.0001407600000000, 0.0003822600000000, 0.0005675400000000 ] - [ 0.0142783800000000, 0.1430752200000000, -0.1688942900000000 ] - [ -0.0000745600000000, -0.0017663300000000, -0.0002771700000000 ] - [ -0.0000614700000000, 0.0001743900000000, 0.0004894200000000 ] - [ -0.0000097300000000, -0.0001054100000000, 0.0003785000000000 ] - [ -0.0160080300000000, -0.0045819200000000, 0.0128422800000000 ] - [ -0.0003623300000000, -0.0023914700000000, -0.0011091300000000 ] - [ -0.0000673500000000, 0.0004005600000000, 0.0008517600000000 ] - [ -0.0000543200000000, 0.0002165000000000, 0.0007795200000000 ] - [ 0.0003996000000000, 0.0009707500000000, -0.0009613000000000 ] - [ -0.0004133100000000, -0.0004552900000000, 0.0015935100000000 ] - [ -0.0009886100000000, 0.0010673600000000, -0.0013244200000000 ] - [ 0.0012402600000000, -0.0020038100000000, -0.0005755900000000 ] - [ 0.0010421300000000, -0.0003485200000000, 0.0005987900000000 ] - [ -0.0000048100000000, -0.0003534300000000, -0.0006650800000000 ] - [ 0.0001796200000000, 0.0000777900000000, 0.0005192800000000 ] - [ 0.0002461600000000, 0.0003292400000000, 0.0002520900000000 ] - [ 0.0002185100000000, 0.0015909200000000, -0.0002758800000000 ] - [ -0.0000103200000000, -0.0013664600000000, -0.0002810900000000 ] - [ -0.0005222700000000, 0.0006886000000000, -0.0007883800000000 ] - [ 0.0008177700000000, 0.0001235200000000, 0.0012248100000000 ] - [ 0.0018172000000000, -0.0019001000000000, -0.0018832200000000 ] - [ -0.0020073700000000, -0.0010014100000000, -0.0001803300000000 ] - [ -0.0004489400000000, 0.0003883900000000, 0.0003819300000000 ] - [ -0.0000844500000000, -0.0004750900000000, 0.0000034400000000 ] - [ -0.0002840500000000, 0.0004974600000000, 0.0016191100000000 ] - [ 0.0000340400000000, -0.0000275000000000, 0.0004512600000000 ] - [ 0.0000849900000000, 0.0000188900000000, 0.0004116700000000 ] - [ 0.0001092400000000, 0.0000183600000000, 0.0004852100000000 ] - [ -0.0001439700000000, 0.0019683400000000, -0.0009043800000000 ] - [ 0.0005642700000000, -0.0018465400000000, -0.0003581600000000 ] - [ 0.0000174300000000, 0.0003194700000000, -0.0000889000000000 ] - [ 0.0000781000000000, -0.0001428200000000, 0.0002842000000000 ] - [ -0.0005386100000000, 0.0002043400000000, 0.0007097500000000 ] - [ -0.0005775700000000, 0.0000430200000000, 0.0007216800000000 ] - [ -0.0001101900000000, -0.0002837700000000, -0.0001091400000000 ] - [ -0.0005376400000000, -0.0008179500000000, 0.0006138000000000 ] - [ 0.0000519800000000, 0.0001184100000000, 0.0002921700000000 ] - [ 0.0001930700000000, -0.0001674200000000, 0.0003124300000000 ] - [ -0.0015115100000000, 0.0004668300000000, 0.0023467700000000 ] - [ 0.0004053600000000, -0.0003364800000000, -0.0005527400000000 ] - [ -0.0012420800000000, -0.0015100700000000, -0.0045902100000000 ] - [ 0.0007735200000000, -0.0074505000000000, 0.0080474400000000 ] - [ 0.0040847500000000, 0.0073387100000000, -0.0129076600000000 ] - [ -0.0001562900000000, -0.0032618800000000, -0.0014030800000000 ] - [ -0.0002707100000000, -0.0006833400000000, 0.0001188600000000 ] - [ 0.0000740800000000, -0.0002255100000000, -0.0008012300000000 ] - [ 0.0097060800000000, -0.0179660900000000, 0.0312665300000000 ] - [ 0.0000051100000000, -0.0020995600000000, -0.0010006800000000 ] - [ -0.0001117400000000, 0.0000918000000000, 0.0002466900000000 ] - [ -0.0001729100000000, 0.0002084800000000, 0.0005133700000000 ] - [ 0.0003181500000000, 0.0010384800000000, 0.0001832200000000 ] - [ 0.0002578000000000, -0.0001299800000000, 0.0003153900000000 ] - [ 0.0004022500000000, 0.0004344000000000, 0.0003049600000000 ] - [ 0.0001679400000000, 0.0000719500000000, 0.0002167700000000 ] - [ 0.0001697000000000, 0.0001810000000000, 0.0004348200000000 ] - [ 0.0002452000000000, -0.0000774400000000, 0.0005045500000000 ] - [ -0.0005221300000000, 0.0005710400000000, -0.0005212600000000 ] - [ 0.0004542200000000, -0.0010110400000000, 0.0001901800000000 ] - [ 0.0000472200000000, 0.0000759600000000, 0.0007780300000000 ] - [ 0.0001693000000000, -0.0006578700000000, -0.0000647400000000 ] - [ 0.0004780300000000, 0.0007366300000000, 0.0001746800000000 ] - [ 0.0000243400000000, -0.0001766000000000, -0.0008232700000000 ] - [ 0.0067767700000000, 0.0006627500000000, 0.0014341900000000 ] - [ -0.0003511000000000, -0.0015671700000000, -0.0011128500000000 ] - [ 0.0000747900000000, 0.0003160100000000, 0.0002033000000000 ] - [ 0.0001698900000000, -0.0002440000000000, 0.0001325300000000 ] - [ 0.0004196900000000, 0.0021655100000000, 0.0016681800000000 ] - [ 0.0005477600000000, -0.0024548000000000, 0.0010458200000000 ]- atom: 61 displacement: [ -0.0009337289454915, 0.0000000000000000, 0.0099563120811047 ] forces: - [ 0.0000412600000000, 0.0000954400000000, -0.0021328600000000 ] - [ 0.0001244700000000, 0.0001503100000000, -0.0022049700000000 ] - [ 0.0001099400000000, 0.0000830500000000, -0.0023182500000000 ] - [ -0.0000042300000000, 0.0000843100000000, -0.0021395800000000 ] - [ 0.0000363100000000, -0.0002360500000000, -0.0027708700000000 ] - [ 0.0000353400000000, -0.0001335500000000, -0.0020927600000000 ] - [ 0.0008190700000000, -0.0002023000000000, -0.0023699400000000 ] - [ 0.0006592400000000, 0.0004204800000000, -0.0015802800000000 ] - [ 0.0325533200000000, -0.0225249800000000, 0.0479837200000000 ] - [ -0.0008926100000000, -0.0013784600000000, 0.0038651300000000 ] - [ 0.0007433800000000, 0.0001391800000000, -0.0018218500000000 ] - [ 0.0003159200000000, -0.0001528300000000, -0.0011325800000000 ] - [ 0.0086641500000000, -0.0004414500000000, -0.0044369400000000 ] - [ 0.0002453500000000, 0.0006905800000000, 0.0001993800000000 ] - [ -0.0013323100000000, -0.0041378200000000, 0.0119310500000000 ] - [ -0.0001104700000000, 0.0012845900000000, 0.0038683600000000 ] - [ -0.0053807400000000, -0.0060418700000000, -0.0011236400000000 ] - [ -0.0006290300000000, 0.0069680400000000, -0.0038467000000000 ] - [ -0.0007896400000000, 0.0014007500000000, -0.0040025400000000 ] - [ -0.0002238000000000, -0.0005854900000000, -0.0021177500000000 ] - [ 0.0036515500000000, 0.0011517600000000, 0.0069254500000000 ] - [ -0.0004394400000000, 0.0020515000000000, 0.0043131700000000 ] - [ -0.0013823400000000, -0.0005022500000000, 0.0001078600000000 ] - [ -0.0011310400000000, 0.0010970600000000, -0.0002360800000000 ] - [ 0.0017478000000000, 0.0019814600000000, -0.0046000000000000 ] - [ 0.0008096700000000, -0.0028420300000000, -0.0022239300000000 ] - [ 0.0006536600000000, 0.0007940300000000, -0.0041943300000000 ] - [ 0.0004704500000000, 0.0001752600000000, -0.0035842700000000 ] - [ -0.0019690300000000, 0.0000202000000000, 0.0017779700000000 ] - [ -0.0004918400000000, -0.0039022700000000, 0.0028278000000000 ] - [ -0.0027498100000000, -0.0039484700000000, -0.0009529100000000 ] - [ 0.0001121700000000, 0.0011545600000000, 0.0023290900000000 ] - [ 0.0001850400000000, -0.0002362800000000, -0.0030761600000000 ] - [ 0.0002260800000000, 0.0004661800000000, -0.0024229400000000 ] - [ 0.0011916000000000, -0.0078826100000000, -0.0044949700000000 ] - [ -0.0005701000000000, 0.0026334600000000, -0.0069159800000000 ] - [ -0.0011415900000000, -0.0010139800000000, -0.0026203100000000 ] - [ -0.0007219900000000, -0.0003154500000000, -0.0022985300000000 ] - [ -0.0726444500000000, -0.1084062000000000, 0.2442350900000000 ] - [ 0.0005272600000000, 0.0014014300000000, 0.0060588700000000 ] - [ 0.0002224100000000, 0.0007016700000000, -0.0004552800000000 ] - [ 0.0005458200000000, -0.0002774100000000, -0.0001064200000000 ] - [ 0.0002166300000000, 0.0001686000000000, -0.0001281900000000 ] - [ 0.0000959200000000, 0.0001553700000000, 0.0000505500000000 ] - [ -0.0013718600000000, -0.0002789900000000, -0.0004792200000000 ] - [ -0.0007153300000000, -0.0000904800000000, -0.0004486500000000 ] - [ 0.0021241100000000, -0.0028593400000000, 0.0003612800000000 ] - [ 0.0020296900000000, 0.0012811300000000, 0.0005974500000000 ] - [ -0.0005525300000000, -0.0003513900000000, -0.0011471600000000 ] - [ -0.0001197000000000, -0.0006618100000000, 0.0000339700000000 ] - [ 0.0003117700000000, -0.0011940600000000, 0.0011659400000000 ] - [ 0.0011023200000000, 0.0001672600000000, 0.0003783800000000 ] - [ -0.0004069900000000, 0.0002148900000000, -0.0006421700000000 ] - [ -0.0002686100000000, 0.0001698700000000, -0.0005022600000000 ] - [ -0.0000356800000000, 0.0004092400000000, -0.0004324800000000 ] - [ -0.0000161100000000, 0.0004419400000000, -0.0003365200000000 ] - [ -0.0000015600000000, -0.0004742300000000, 0.0010765700000000 ] - [ -0.0001142400000000, -0.0003912500000000, 0.0008837200000000 ] - [ -0.0001817100000000, 0.0012213800000000, 0.0018660600000000 ] - [ -0.0002087200000000, 0.0009190200000000, 0.0016315100000000 ] - [ 0.0430364800000000, 0.1715608900000000, -0.3701683900000000 ] - [ -0.0000304800000000, 0.0003035000000000, -0.0036339500000000 ] - [ -0.0005285300000000, -0.0008359100000000, 0.0023721700000000 ] - [ -0.0002734000000000, -0.0003070200000000, 0.0016002100000000 ] - [ -0.0102370100000000, -0.0091389000000000, -0.0018696500000000 ] - [ -0.0010274100000000, -0.0008695100000000, -0.0024319200000000 ] - [ -0.0001551900000000, 0.0008255800000000, 0.0028314700000000 ] - [ -0.0001383000000000, 0.0007504900000000, 0.0024397400000000 ] - [ -0.0014109400000000, 0.0014185600000000, 0.0015850800000000 ] - [ -0.0007377600000000, -0.0005642500000000, 0.0020112500000000 ] - [ 0.0024307000000000, 0.0016616000000000, -0.0012189500000000 ] - [ 0.0021668700000000, -0.0019469100000000, -0.0014469900000000 ] - [ 0.0012933800000000, -0.0006231700000000, -0.0002623300000000 ] - [ 0.0003759500000000, 0.0005255700000000, -0.0003516000000000 ] - [ 0.0000567200000000, -0.0001782200000000, 0.0014449300000000 ] - [ 0.0001231100000000, 0.0003045900000000, 0.0012623200000000 ] - [ -0.0001057200000000, 0.0006755100000000, -0.0014226500000000 ] - [ -0.0002005800000000, 0.0000184700000000, -0.0014360800000000 ] - [ 0.0017052800000000, 0.0023856900000000, 0.0015266700000000 ] - [ 0.0010530100000000, -0.0003025200000000, 0.0014215200000000 ] - [ -0.0032299500000000, 0.0034828100000000, -0.0028095500000000 ] - [ -0.0019789300000000, -0.0014218300000000, -0.0016583300000000 ] - [ -0.0014189600000000, -0.0015659100000000, 0.0020891900000000 ] - [ -0.0006919100000000, 0.0002991500000000, 0.0002063400000000 ] - [ -0.0000709800000000, 0.0004995300000000, 0.0029131800000000 ] - [ 0.0001513100000000, 0.0010555300000000, 0.0021371900000000 ] - [ 0.0003118700000000, -0.0001335300000000, 0.0013497300000000 ] - [ 0.0003900000000000, -0.0003284600000000, 0.0014133400000000 ] - [ 0.0002881100000000, 0.0015934200000000, -0.0017341300000000 ] - [ 0.0004509100000000, -0.0014431000000000, -0.0011248000000000 ] - [ 0.0001194400000000, 0.0000514200000000, 0.0009956900000000 ] - [ 0.0001140900000000, -0.0003204600000000, 0.0009825500000000 ] - [ -0.0009591500000000, 0.0002423100000000, 0.0017725800000000 ] - [ -0.0009116700000000, 0.0000879800000000, 0.0015224100000000 ] - [ -0.0005559500000000, 0.0015294600000000, 0.0031884200000000 ] - [ -0.0007163800000000, -0.0015699700000000, 0.0013175800000000 ] - [ 0.0001996500000000, -0.0002467700000000, 0.0012417000000000 ] - [ 0.0002146100000000, -0.0002922700000000, 0.0009999500000000 ] - [ -0.0016629600000000, -0.0009409200000000, 0.0032600700000000 ] - [ -0.0001097600000000, 0.0011613600000000, 0.0007720400000000 ] - [ 0.0007068800000000, 0.0063301100000000, 0.0024601600000000 ] - [ 0.0012468000000000, -0.0085610700000000, 0.0075781600000000 ] - [ -0.0175401700000000, 0.0020232000000000, 0.0378399200000000 ] - [ -0.0003827300000000, -0.0030964900000000, -0.0021503200000000 ] - [ -0.0000312300000000, -0.0000136200000000, -0.0018041300000000 ] - [ 0.0004442900000000, 0.0011932100000000, -0.0027186500000000 ] - [ 0.0101390100000000, -0.0291775500000000, 0.0212433600000000 ] - [ -0.0000331800000000, 0.0012215100000000, -0.0024358200000000 ] - [ -0.0001925500000000, 0.0005783900000000, 0.0014092400000000 ] - [ -0.0002720600000000, 0.0003154800000000, 0.0014021000000000 ] - [ 0.0021862800000000, 0.0005491800000000, 0.0017772100000000 ] - [ 0.0007682900000000, 0.0000385900000000, 0.0004384300000000 ] - [ 0.0012890000000000, 0.0006916300000000, 0.0014524100000000 ] - [ 0.0006758100000000, 0.0004769000000000, 0.0009436200000000 ] - [ 0.0000743200000000, -0.0001460400000000, 0.0014687800000000 ] - [ 0.0001678200000000, -0.0002156200000000, 0.0012316900000000 ] - [ -0.0023449400000000, 0.0016447600000000, -0.0012109400000000 ] - [ 0.0001745000000000, -0.0004741900000000, -0.0004960500000000 ] - [ -0.0003715400000000, -0.0001782300000000, 0.0014694400000000 ] - [ -0.0001857600000000, 0.0001348900000000, 0.0003028500000000 ] - [ 0.0004747900000000, 0.0005004200000000, -0.0001464000000000 ] - [ 0.0000569600000000, 0.0004852300000000, -0.0014648800000000 ] - [ 0.0079288400000000, -0.0019433900000000, -0.0003693200000000 ] - [ 0.0000946700000000, -0.0012723000000000, -0.0021327100000000 ] - [ 0.0004703500000000, 0.0004966300000000, 0.0015519600000000 ] - [ 0.0002376000000000, 0.0001381600000000, 0.0010363600000000 ] - [ 0.0023026000000000, 0.0041063200000000, 0.0107383400000000 ] - [ 0.0006116000000000, -0.0018805900000000, 0.0014191300000000 ]- atom: 61 displacement: [ 0.0009337289454915, 0.0000000000000000, -0.0099563120811047 ] forces: - [ -0.0001598100000000, 0.0000342800000000, 0.0017963500000000 ] - [ -0.0002433500000000, -0.0000213300000000, 0.0018676600000000 ] - [ -0.0000323200000000, -0.0001956000000000, 0.0021118000000000 ] - [ 0.0000820300000000, -0.0001986100000000, 0.0019331700000000 ] - [ -0.0000020300000000, 0.0002544900000000, 0.0029311500000000 ] - [ -0.0000003100000000, 0.0001467700000000, 0.0022599200000000 ] - [ -0.0007035900000000, 0.0003401800000000, 0.0026989500000000 ] - [ -0.0005419700000000, -0.0002825300000000, 0.0019068900000000 ] - [ -0.0345489000000000, 0.0239322800000000, -0.0496278800000000 ] - [ 0.0009281400000000, 0.0013641000000000, -0.0036948100000000 ] - [ -0.0007727900000000, -0.0001521200000000, 0.0016504100000000 ] - [ -0.0003456900000000, 0.0001367900000000, 0.0009637600000000 ] - [ -0.0086656800000000, 0.0005745100000000, 0.0046244100000000 ] - [ -0.0003206500000000, -0.0005800000000000, 0.0000132300000000 ] - [ 0.0013050600000000, 0.0039407300000000, -0.0122082400000000 ] - [ -0.0000070200000000, -0.0014180000000000, -0.0041930200000000 ] - [ 0.0054454300000000, 0.0058767600000000, 0.0014758700000000 ] - [ 0.0007523500000000, -0.0070790800000000, 0.0041710500000000 ] - [ 0.0007166000000000, -0.0015303300000000, 0.0042002700000000 ] - [ 0.0001476100000000, 0.0004656300000000, 0.0023158200000000 ] - [ -0.0035873700000000, -0.0010435800000000, -0.0071288300000000 ] - [ 0.0005100800000000, -0.0019114900000000, -0.0044983200000000 ] - [ 0.0013515800000000, 0.0005113400000000, -0.0002903400000000 ] - [ 0.0010961000000000, -0.0010780100000000, 0.0000539800000000 ] - [ -0.0016261700000000, -0.0021749200000000, 0.0048152600000000 ] - [ -0.0006824100000000, 0.0026119300000000, 0.0024444500000000 ] - [ 0.0000936500000000, -0.0007033300000000, 0.0040421000000000 ] - [ 0.0002782300000000, -0.0000800900000000, 0.0034326300000000 ] - [ 0.0012072900000000, -0.0001212200000000, -0.0016092100000000 ] - [ -0.0002279600000000, 0.0038103200000000, -0.0026641600000000 ] - [ 0.0025991400000000, 0.0037031200000000, 0.0006831000000000 ] - [ -0.0002380600000000, -0.0013533900000000, -0.0025574600000000 ] - [ -0.0003053500000000, 0.0004419400000000, 0.0028440400000000 ] - [ -0.0003513500000000, -0.0002595200000000, 0.0021918700000000 ] - [ -0.0010677700000000, 0.0081111800000000, 0.0047040900000000 ] - [ 0.0006984300000000, -0.0024154500000000, 0.0071237100000000 ] - [ 0.0003932600000000, 0.0011070000000000, 0.0027560000000000 ] - [ -0.0000288700000000, 0.0004100500000000, 0.0024352400000000 ] - [ 0.0681486400000000, 0.1001927900000000, -0.2320197600000000 ] - [ 0.0002282500000000, -0.0014832100000000, -0.0061901900000000 ] - [ -0.0002129800000000, 0.0002185400000000, 0.0005550100000000 ] - [ -0.0005377800000000, 0.0012007000000000, 0.0002039500000000 ] - [ -0.0006596800000000, 0.0001406000000000, 0.0000324900000000 ] - [ -0.0005317600000000, 0.0001541200000000, -0.0001451700000000 ] - [ 0.0009324400000000, -0.0000324600000000, 0.0003870100000000 ] - [ 0.0002810000000000, -0.0002192200000000, 0.0003559200000000 ] - [ -0.0016975800000000, 0.0025547800000000, -0.0002837500000000 ] - [ -0.0015943200000000, -0.0015982100000000, -0.0005050800000000 ] - [ 0.0005573700000000, -0.0005655300000000, 0.0012410200000000 ] - [ 0.0001257300000000, -0.0002654400000000, 0.0000657500000000 ] - [ -0.0003150600000000, 0.0002610800000000, -0.0012527500000000 ] - [ -0.0011204600000000, -0.0010852800000000, -0.0004823100000000 ] - [ 0.0008394400000000, 0.0000953800000000, 0.0007334500000000 ] - [ 0.0006997100000000, 0.0001397900000000, 0.0005932000000000 ] - [ 0.0000261200000000, 0.0005132100000000, 0.0003327600000000 ] - [ 0.0000068000000000, 0.0004807900000000, 0.0002376900000000 ] - [ -0.0007745200000000, -0.0000247200000000, -0.0012469600000000 ] - [ -0.0006611500000000, -0.0001085400000000, -0.0010530400000000 ] - [ 0.0000217000000000, -0.0005468700000000, -0.0015066800000000 ] - [ 0.0000456700000000, -0.0002479400000000, -0.0012723300000000 ] - [ -0.0357565900000000, -0.1646331100000000, 0.3590934800000000 ] - [ -0.0001509200000000, -0.0006141400000000, 0.0040549900000000 ] - [ 0.0006889300000000, 0.0015082200000000, -0.0027245200000000 ] - [ 0.0004318200000000, 0.0009745300000000, -0.0019482000000000 ] - [ 0.0101489200000000, 0.0088519900000000, 0.0018937100000000 ] - [ 0.0009360800000000, 0.0006327000000000, 0.0025725000000000 ] - [ -0.0000214900000000, -0.0005134100000000, -0.0024003400000000 ] - [ -0.0000415600000000, -0.0004388600000000, -0.0020102300000000 ] - [ 0.0021602800000000, -0.0012086700000000, -0.0022459800000000 ] - [ 0.0014811500000000, 0.0007788100000000, -0.0026716100000000 ] - [ -0.0021500000000000, -0.0016935900000000, 0.0012255000000000 ] - [ -0.0018589500000000, 0.0019233000000000, 0.0014805700000000 ] - [ -0.0011072800000000, 0.0003098500000000, -0.0001724200000000 ] - [ -0.0001997800000000, -0.0008416200000000, -0.0000870000000000 ] - [ 0.0003499600000000, 0.0005754800000000, -0.0014650200000000 ] - [ 0.0002823900000000, 0.0000932400000000, -0.0012851200000000 ] - [ -0.0006457100000000, -0.0008937500000000, 0.0021060400000000 ] - [ -0.0005458300000000, -0.0002285100000000, 0.0020968300000000 ] - [ -0.0020236200000000, -0.0020978900000000, -0.0017492900000000 ] - [ -0.0013683400000000, 0.0005947600000000, -0.0016414700000000 ] - [ 0.0024507600000000, -0.0029634300000000, 0.0026516500000000 ] - [ 0.0012065300000000, 0.0019188400000000, 0.0014872000000000 ] - [ 0.0010989200000000, 0.0012575400000000, -0.0023068200000000 ] - [ 0.0003743300000000, -0.0005880600000000, -0.0004321100000000 ] - [ -0.0000416900000000, -0.0002811700000000, -0.0022266900000000 ] - [ -0.0002646500000000, -0.0008283200000000, -0.0014499300000000 ] - [ -0.0003964400000000, 0.0003605300000000, -0.0011958900000000 ] - [ -0.0004736200000000, 0.0005578500000000, -0.0012566200000000 ] - [ 0.0001192400000000, -0.0019779700000000, 0.0017199600000000 ] - [ -0.0000414000000000, 0.0010369200000000, 0.0011050100000000 ] - [ 0.0000587100000000, 0.0002586100000000, -0.0014148000000000 ] - [ 0.0000653400000000, 0.0006269700000000, -0.0013975100000000 ] - [ 0.0002067400000000, -0.0000263300000000, -0.0011015800000000 ] - [ 0.0001621300000000, 0.0001261600000000, -0.0008560400000000 ] - [ 0.0001432300000000, -0.0019097700000000, -0.0031391200000000 ] - [ 0.0003072400000000, 0.0011671400000000, -0.0012934800000000 ] - [ 0.0001000000000000, 0.0002585400000000, -0.0011970100000000 ] - [ 0.0000842900000000, 0.0003039100000000, -0.0009547500000000 ] - [ 0.0024117700000000, 0.0007170800000000, -0.0039268700000000 ] - [ 0.0008604100000000, -0.0013635700000000, -0.0014348100000000 ] - [ -0.0008273800000000, -0.0065861400000000, -0.0017702100000000 ] - [ -0.0013756900000000, 0.0084021200000000, -0.0069033200000000 ] - [ 0.0172684100000000, -0.0025814400000000, -0.0372451300000000 ] - [ 0.0005403600000000, 0.0024206300000000, 0.0017894300000000 ] - [ -0.0001251800000000, -0.0006439100000000, 0.0021421800000000 ] - [ -0.0006024500000000, -0.0018609200000000, 0.0030604500000000 ] - [ -0.0102350600000000, 0.0286455500000000, -0.0210624300000000 ] - [ -0.0002664000000000, -0.0012351900000000, 0.0023835600000000 ] - [ -0.0001064200000000, -0.0005654500000000, -0.0014487800000000 ] - [ -0.0000256600000000, -0.0003019900000000, -0.0014423400000000 ] - [ -0.0013957500000000, -0.0000521700000000, -0.0015950700000000 ] - [ 0.0000089600000000, 0.0004630600000000, -0.0002700800000000 ] - [ -0.0012044600000000, -0.0004616700000000, -0.0016023000000000 ] - [ -0.0005889300000000, -0.0002481700000000, -0.0010923900000000 ] - [ 0.0002377500000000, 0.0004372000000000, -0.0012390100000000 ] - [ 0.0001479000000000, 0.0005078200000000, -0.0010030300000000 ] - [ 0.0024008600000000, -0.0018651800000000, 0.0010490700000000 ] - [ -0.0000914900000000, 0.0002508200000000, 0.0003355400000000 ] - [ 0.0011540300000000, -0.0003176900000000, -0.0012968800000000 ] - [ 0.0009633000000000, -0.0006334700000000, -0.0001271400000000 ] - [ -0.0003526100000000, -0.0002834500000000, -0.0005094900000000 ] - [ 0.0000572400000000, -0.0002687300000000, 0.0007898200000000 ] - [ -0.0075491500000000, 0.0016554000000000, 0.0006035400000000 ] - [ 0.0002158900000000, 0.0009800900000000, 0.0023591700000000 ] - [ -0.0003550400000000, -0.0007152800000000, -0.0022300000000000 ] - [ -0.0001236600000000, -0.0003578600000000, -0.0017118700000000 ] - [ -0.0027415800000000, -0.0037413700000000, -0.0108213300000000 ] - [ -0.0010221500000000, 0.0022774100000000, -0.0013992800000000 ]- atom: 65 displacement: [ 0.0099999541101204, 0.0000000000000000, -0.0000302951396548 ] forces: - [ -0.0001479600000000, 0.0001060400000000, -0.0005856300000000 ] - [ -0.0001411800000000, 0.0000905800000000, -0.0006198500000000 ] - [ 0.0001535000000000, 0.0000581700000000, -0.0004129000000000 ] - [ 0.0001291600000000, -0.0001166800000000, -0.0004449300000000 ] - [ 0.0002036500000000, 0.0001292600000000, -0.0004269400000000 ] - [ 0.0001388600000000, -0.0002185900000000, -0.0001960000000000 ] - [ -0.0002033400000000, 0.0001505700000000, 0.0000051400000000 ] - [ -0.0001255800000000, -0.0001061600000000, -0.0000761900000000 ] - [ 0.0067022400000000, -0.0018622300000000, 0.0051963700000000 ] - [ 0.0034386300000000, -0.0007168000000000, -0.0005505200000000 ] - [ -0.0005110200000000, 0.0003268200000000, 0.0005996800000000 ] - [ -0.0000836800000000, -0.0002541900000000, -0.0001601000000000 ] - [ 0.0064304600000000, 0.0043536400000000, 0.0020941000000000 ] - [ 0.0017880900000000, -0.0015716600000000, 0.0016845700000000 ] - [ -0.0132488700000000, -0.0002773200000000, 0.0041300500000000 ] - [ -0.0013571500000000, -0.0010262400000000, 0.0005591400000000 ] - [ -0.0037460000000000, -0.0041181800000000, -0.0019533600000000 ] - [ -0.0010777000000000, 0.0072691400000000, -0.0045224400000000 ] - [ 0.0002779500000000, -0.0001597500000000, 0.0000785200000000 ] - [ 0.0001892100000000, -0.0002154900000000, -0.0002298200000000 ] - [ 0.0527146500000000, 0.0229268100000000, 0.0396735800000000 ] - [ 0.0005791200000000, 0.0003819500000000, 0.0012901300000000 ] - [ 0.0001663800000000, -0.0009037400000000, -0.0028619300000000 ] - [ 0.0003537200000000, 0.0001628100000000, -0.0010505700000000 ] - [ 0.0050604700000000, -0.0000180700000000, -0.0006048500000000 ] - [ 0.0018371300000000, -0.0008122400000000, -0.0009697200000000 ] - [ 0.0004230200000000, -0.0000268800000000, -0.0006105600000000 ] - [ 0.0004144900000000, 0.0000741300000000, -0.0005933000000000 ] - [ -0.0076684900000000, -0.0057071500000000, 0.0074013500000000 ] - [ -0.0063128900000000, -0.0010425000000000, -0.0001085100000000 ] - [ -0.0039049200000000, 0.0079848500000000, 0.0004901200000000 ] - [ -0.0059098800000000, -0.0031247300000000, -0.0019800200000000 ] - [ -0.0001323900000000, 0.0000949400000000, -0.0005528800000000 ] - [ -0.0000829400000000, -0.0000354500000000, -0.0002695400000000 ] - [ 0.0010726800000000, 0.0012284500000000, 0.0006194800000000 ] - [ 0.0008618000000000, -0.0008631400000000, 0.0016494400000000 ] - [ -0.0001159700000000, 0.0004690600000000, -0.0011721400000000 ] - [ -0.0003347400000000, 0.0000001200000000, -0.0007732700000000 ] - [ 0.2756068100000000, 0.1442693500000000, 0.0268256300000000 ] - [ 0.0020323300000000, -0.0013957500000000, 0.0011649900000000 ] - [ -0.0000484300000000, 0.0004293200000000, 0.0001221600000000 ] - [ -0.0000601200000000, 0.0005509700000000, 0.0000803700000000 ] - [ -0.0009168400000000, 0.0001386000000000, -0.0002488700000000 ] - [ -0.0009513500000000, 0.0001044300000000, -0.0002955000000000 ] - [ -0.0012154400000000, -0.0002181600000000, -0.0003621600000000 ] - [ -0.0005894000000000, -0.0001998500000000, -0.0001211800000000 ] - [ 0.0004301900000000, 0.0005864200000000, 0.0013281000000000 ] - [ 0.0000786100000000, -0.0005792200000000, 0.0003882200000000 ] - [ 0.0000056400000000, -0.0002206500000000, -0.0009763800000000 ] - [ -0.0001122200000000, -0.0006958700000000, 0.0000428200000000 ] - [ -0.0012990100000000, 0.0005644700000000, -0.0003736200000000 ] - [ -0.0009685800000000, -0.0001267200000000, 0.0002148300000000 ] - [ 0.0002375000000000, 0.0001665900000000, -0.0001284500000000 ] - [ 0.0001570400000000, 0.0001254800000000, -0.0000991800000000 ] - [ -0.0000566000000000, 0.0004266400000000, -0.0001762400000000 ] - [ -0.0000765300000000, 0.0003471200000000, -0.0001277400000000 ] - [ -0.0003603600000000, -0.0002651900000000, 0.0001969600000000 ] - [ -0.0003101800000000, -0.0001481300000000, 0.0001476800000000 ] - [ -0.0001699600000000, 0.0004709200000000, 0.0006595400000000 ] - [ -0.0001218800000000, 0.0005385600000000, 0.0005786100000000 ] - [ 0.0100162600000000, 0.0158742000000000, -0.0091285900000000 ] - [ -0.0008765400000000, 0.0001739100000000, -0.0008306500000000 ] - [ 0.0000438400000000, 0.0002833300000000, -0.0000006800000000 ] - [ 0.0000071800000000, 0.0002829000000000, 0.0000702500000000 ] - [ -0.4025056200000000, -0.2166603400000000, -0.0866074300000000 ] - [ -0.0013346000000000, 0.0002758100000000, -0.0006470700000000 ] - [ -0.0001082600000000, 0.0002849600000000, 0.0006478100000000 ] - [ -0.0001305300000000, 0.0002693400000000, 0.0005674800000000 ] - [ 0.0002478900000000, -0.0000971200000000, -0.0003279000000000 ] - [ 0.0003324300000000, 0.0003199700000000, -0.0005983700000000 ] - [ 0.0042100400000000, 0.0028487300000000, 0.0009147600000000 ] - [ 0.0045715000000000, 0.0010902400000000, -0.0008725000000000 ] - [ 0.0027347100000000, -0.0007117600000000, -0.0023435100000000 ] - [ 0.0015770500000000, 0.0002786200000000, 0.0000619700000000 ] - [ 0.0002170200000000, 0.0002742600000000, -0.0000174000000000 ] - [ 0.0001841200000000, 0.0002274200000000, 0.0002105600000000 ] - [ 0.0023003400000000, -0.0014432100000000, -0.0008225700000000 ] - [ 0.0019311300000000, 0.0002982100000000, -0.0000330500000000 ] - [ -0.0012149900000000, -0.0000512000000000, -0.0000155300000000 ] - [ -0.0007923500000000, 0.0002144400000000, -0.0002388300000000 ] - [ 0.0016548200000000, -0.0015714900000000, -0.0018931000000000 ] - [ 0.0003953300000000, 0.0004479800000000, -0.0004092700000000 ] - [ -0.0018871300000000, 0.0000574800000000, -0.0022725400000000 ] - [ -0.0008454400000000, 0.0003702700000000, -0.0003413100000000 ] - [ -0.0009840800000000, 0.0002229000000000, 0.0008014800000000 ] - [ -0.0002754600000000, 0.0004314800000000, 0.0009279000000000 ] - [ -0.0000497400000000, 0.0000632900000000, 0.0002454300000000 ] - [ -0.0000590000000000, 0.0001130200000000, 0.0002393500000000 ] - [ 0.0053410400000000, -0.0041426000000000, 0.0072787700000000 ] - [ 0.0008546100000000, 0.0018740300000000, 0.0004665000000000 ] - [ 0.0002848400000000, -0.0002247400000000, 0.0010450300000000 ] - [ 0.0001517500000000, 0.0000086900000000, 0.0004225500000000 ] - [ -0.0003869300000000, 0.0001171100000000, 0.0005831500000000 ] - [ -0.0003451300000000, 0.0001498200000000, 0.0004661600000000 ] - [ -0.0007976200000000, 0.0000355500000000, 0.0007315800000000 ] - [ -0.0011496600000000, -0.0005499400000000, -0.0000613000000000 ] - [ 0.0003257900000000, -0.0003071500000000, 0.0004065100000000 ] - [ 0.0002574000000000, -0.0001090100000000, 0.0003086700000000 ] - [ -0.0022484100000000, -0.0006405800000000, 0.0024631700000000 ] - [ -0.0004232300000000, 0.0009094700000000, 0.0008107800000000 ] - [ -0.0015327100000000, -0.0009977500000000, -0.0001345100000000 ] - [ -0.0005660100000000, 0.0012483000000000, -0.0011684100000000 ] - [ 0.0014146100000000, 0.0172026600000000, 0.0102396300000000 ] - [ -0.0015709200000000, -0.0009260100000000, -0.0004077000000000 ] - [ 0.0163949700000000, 0.0035521100000000, -0.0056770600000000 ] - [ 0.0012584000000000, 0.0002955300000000, -0.0004945700000000 ] - [ 0.0417487700000000, 0.0058840200000000, 0.0069884500000000 ] - [ -0.0002315900000000, 0.0018662500000000, -0.0007379600000000 ] - [ -0.0001074200000000, 0.0000459700000000, 0.0001761000000000 ] - [ -0.0000824700000000, 0.0000813800000000, 0.0001577100000000 ] - [ 0.0014577400000000, 0.0002566500000000, 0.0014619400000000 ] - [ 0.0007503100000000, 0.0002538500000000, 0.0000692600000000 ] - [ -0.0001289700000000, 0.0000240600000000, 0.0001634100000000 ] - [ 0.0000386300000000, 0.0001886400000000, 0.0001812000000000 ] - [ 0.0001206000000000, 0.0000150900000000, 0.0003688300000000 ] - [ 0.0000645800000000, 0.0001753800000000, 0.0002408200000000 ] - [ 0.0022825000000000, -0.0023905900000000, -0.0009414100000000 ] - [ 0.0022826400000000, 0.0017375000000000, -0.0022820100000000 ] - [ 0.0008983000000000, -0.0002059900000000, -0.0000055300000000 ] - [ 0.0008886600000000, -0.0001849800000000, 0.0002561700000000 ] - [ 0.0008084300000000, -0.0017248900000000, 0.0005843600000000 ] - [ 0.0013544100000000, 0.0004507300000000, 0.0009591100000000 ] - [ -0.0011916200000000, -0.0026854900000000, 0.0008551500000000 ] - [ 0.0040932800000000, 0.0066351300000000, 0.0057366200000000 ] - [ 0.0005936500000000, -0.0002648600000000, -0.0000879000000000 ] - [ 0.0002103900000000, 0.0000900300000000, -0.0002670200000000 ] - [ -0.0008780300000000, -0.0003975200000000, -0.0010384400000000 ] - [ -0.0007172200000000, 0.0009870800000000, 0.0000091600000000 ]- atom: 65 displacement: [ -0.0099999541101204, 0.0000000000000000, 0.0000302951396548 ] forces: - [ 0.0000256300000000, 0.0000068500000000, 0.0002539400000000 ] - [ 0.0000175100000000, 0.0000214100000000, 0.0002893900000000 ] - [ -0.0000778900000000, -0.0001729500000000, 0.0002146600000000 ] - [ -0.0000535100000000, 0.0000027000000000, 0.0002463300000000 ] - [ -0.0001528900000000, -0.0001212100000000, 0.0006054700000000 ] - [ -0.0000881500000000, 0.0002296700000000, 0.0003726900000000 ] - [ 0.0003314700000000, -0.0000285100000000, 0.0003250100000000 ] - [ 0.0002527500000000, 0.0002263600000000, 0.0004069300000000 ] - [ -0.0066377100000000, 0.0018700100000000, -0.0050232900000000 ] - [ -0.0033905500000000, 0.0006943800000000, 0.0007148400000000 ] - [ 0.0004526800000000, -0.0003406800000000, -0.0007880800000000 ] - [ 0.0000314900000000, 0.0002451300000000, -0.0000199100000000 ] - [ -0.0065559500000000, -0.0042290500000000, -0.0018795700000000 ] - [ -0.0018786600000000, 0.0016886000000000, -0.0014898000000000 ] - [ 0.0131070200000000, 0.0001098100000000, -0.0044051600000000 ] - [ 0.0012426200000000, 0.0009127500000000, -0.0008821400000000 ] - [ 0.0039102000000000, 0.0040282700000000, 0.0022951300000000 ] - [ 0.0012423800000000, -0.0073368600000000, 0.0048223400000000 ] - [ -0.0003540600000000, 0.0000392400000000, 0.0001177100000000 ] - [ -0.0002643400000000, 0.0000931200000000, 0.0004258900000000 ] - [ -0.0553987400000000, -0.0245055600000000, -0.0422863300000000 ] - [ -0.0005102600000000, -0.0002600700000000, -0.0014855400000000 ] - [ -0.0002190000000000, 0.0009140000000000, 0.0026879000000000 ] - [ -0.0004042100000000, -0.0001571900000000, 0.0008738900000000 ] - [ -0.0048694900000000, -0.0001720200000000, 0.0008448400000000 ] - [ -0.0016545900000000, 0.0006295800000000, 0.0012007800000000 ] - [ 0.0003692600000000, 0.0001326600000000, 0.0004640700000000 ] - [ 0.0003728100000000, 0.0000340700000000, 0.0004441200000000 ] - [ 0.0068714000000000, 0.0056261700000000, -0.0072587900000000 ] - [ 0.0055307600000000, 0.0009265900000000, 0.0002521700000000 ] - [ 0.0036953700000000, -0.0081831400000000, -0.0007059600000000 ] - [ 0.0057076300000000, 0.0029279000000000, 0.0017477600000000 ] - [ -0.0000625600000000, 0.0000912200000000, 0.0003246400000000 ] - [ -0.0001106100000000, 0.0002251400000000, 0.0000364700000000 ] - [ -0.0008853900000000, -0.0010296000000000, -0.0004148500000000 ] - [ -0.0006677500000000, 0.0010463200000000, -0.0014218800000000 ] - [ -0.0006720500000000, -0.0003624100000000, 0.0013185100000000 ] - [ -0.0004531400000000, 0.0001045300000000, 0.0009209600000000 ] - [ -0.2610332100000000, -0.1338348800000000, -0.0251831200000000 ] - [ -0.0012465100000000, 0.0012798200000000, -0.0013135200000000 ] - [ 0.0000812600000000, 0.0004265300000000, -0.0000075200000000 ] - [ 0.0000931300000000, 0.0003056500000000, 0.0000339400000000 ] - [ 0.0004087600000000, 0.0001565400000000, 0.0001395800000000 ] - [ 0.0004447600000000, 0.0001913700000000, 0.0001862500000000 ] - [ 0.0007109400000000, -0.0000767900000000, 0.0002484100000000 ] - [ 0.0000804200000000, -0.0000943800000000, 0.0000084300000000 ] - [ 0.0000901800000000, -0.0008810800000000, -0.0012127700000000 ] - [ 0.0004325900000000, 0.0002825500000000, -0.0002778500000000 ] - [ 0.0000309900000000, -0.0006388400000000, 0.0010873100000000 ] - [ 0.0001478700000000, -0.0001565400000000, 0.0000723400000000 ] - [ 0.0012664300000000, -0.0014185700000000, 0.0002634600000000 ] - [ 0.0009400200000000, -0.0007328400000000, -0.0003283200000000 ] - [ 0.0002727600000000, 0.0001287700000000, 0.0002390400000000 ] - [ 0.0003539800000000, 0.0001700700000000, 0.0002103500000000 ] - [ 0.0000263600000000, 0.0004301900000000, 0.0000622800000000 ] - [ 0.0000460000000000, 0.0005097900000000, 0.0000135400000000 ] - [ -0.0004773500000000, -0.0001302800000000, -0.0003771600000000 ] - [ -0.0005280500000000, -0.0002459900000000, -0.0003310500000000 ] - [ 0.0000404600000000, 0.0002410900000000, -0.0002913800000000 ] - [ -0.0000037000000000, 0.0001788700000000, -0.0002089800000000 ] - [ -0.0102225500000000, -0.0159373900000000, 0.0094431800000000 ] - [ 0.0006483800000000, -0.0004891800000000, 0.0012733800000000 ] - [ 0.0000896500000000, 0.0004275100000000, -0.0003670500000000 ] - [ 0.0001249300000000, 0.0004223200000000, -0.0004334500000000 ] - [ 0.3906615600000000, 0.2072877800000000, 0.0873169000000000 ] - [ 0.0012397000000000, -0.0004916700000000, 0.0007796700000000 ] - [ -0.0001175300000000, 0.0000352800000000, -0.0002060200000000 ] - [ -0.0000950500000000, 0.0000520900000000, -0.0001245000000000 ] - [ 0.0004453800000000, 0.0003127500000000, -0.0002999000000000 ] - [ 0.0003641600000000, -0.0000999000000000, -0.0000369800000000 ] - [ -0.0038795800000000, -0.0027951800000000, -0.0008447600000000 ] - [ -0.0042330600000000, -0.0010970700000000, 0.0009224900000000 ] - [ -0.0024924900000000, 0.0003882600000000, 0.0019193400000000 ] - [ -0.0013555000000000, -0.0005943100000000, -0.0004931800000000 ] - [ 0.0002009400000000, 0.0001089100000000, 0.0000086300000000 ] - [ 0.0002352400000000, 0.0001575400000000, -0.0002187700000000 ] - [ -0.0029945900000000, 0.0012334300000000, 0.0014513600000000 ] - [ -0.0026203100000000, -0.0005167700000000, 0.0006632300000000 ] - [ 0.0009119500000000, 0.0003400400000000, -0.0002018200000000 ] - [ 0.0004852800000000, 0.0000749900000000, 0.0000176300000000 ] - [ -0.0024936300000000, 0.0019626300000000, 0.0016898700000000 ] - [ -0.0012343000000000, -0.0000480200000000, 0.0002332800000000 ] - [ 0.0015917000000000, -0.0003506700000000, 0.0020561900000000 ] - [ 0.0005454700000000, -0.0006637100000000, 0.0001261500000000 ] - [ 0.0008564300000000, -0.0000031000000000, -0.0001500500000000 ] - [ 0.0001477600000000, -0.0002146200000000, -0.0002821200000000 ] - [ -0.0000467600000000, 0.0001519000000000, -0.0001144000000000 ] - [ -0.0000435700000000, 0.0001058900000000, -0.0001086500000000 ] - [ -0.0049423200000000, 0.0037533200000000, -0.0073640200000000 ] - [ -0.0004357900000000, -0.0022645000000000, -0.0004789900000000 ] - [ -0.0000619300000000, 0.0005448400000000, -0.0014888800000000 ] - [ 0.0000702200000000, 0.0003104800000000, -0.0008601000000000 ] - [ -0.0003027000000000, 0.0000989300000000, 0.0000468900000000 ] - [ -0.0003468400000000, 0.0000660200000000, 0.0001656500000000 ] - [ 0.0003830000000000, -0.0004226200000000, -0.0007249800000000 ] - [ 0.0007341200000000, 0.0001653100000000, 0.0000704800000000 ] - [ 0.0000148000000000, 0.0002757700000000, -0.0003449600000000 ] - [ 0.0000819200000000, 0.0000806900000000, -0.0002489100000000 ] - [ 0.0029217500000000, 0.0004327300000000, -0.0030940500000000 ] - [ 0.0011236000000000, -0.0011329100000000, -0.0014525800000000 ] - [ 0.0013964500000000, 0.0007798700000000, 0.0008112900000000 ] - [ 0.0004368300000000, -0.0014635300000000, 0.0018157100000000 ] - [ -0.0014947700000000, -0.0179396700000000, -0.0106630600000000 ] - [ 0.0016905500000000, 0.0002243600000000, 0.0000340500000000 ] - [ -0.0166338600000000, -0.0042871100000000, 0.0060685300000000 ] - [ -0.0013895300000000, -0.0009932700000000, 0.0008527600000000 ] - [ -0.0410870900000000, -0.0057601300000000, -0.0067973200000000 ] - [ -0.0001110400000000, -0.0018453000000000, 0.0006803900000000 ] - [ -0.0002343700000000, -0.0000722700000000, -0.0002342000000000 ] - [ -0.0002635500000000, -0.0001078400000000, -0.0002144400000000 ] - [ -0.0006308700000000, 0.0001416000000000, -0.0012902300000000 ] - [ 0.0000853100000000, 0.0001340600000000, 0.0001169900000000 ] - [ 0.0002348000000000, 0.0001947900000000, -0.0002939900000000 ] - [ 0.0000660800000000, 0.0000284100000000, -0.0003132000000000 ] - [ 0.0001894000000000, 0.0002761000000000, -0.0001483300000000 ] - [ 0.0002463900000000, 0.0001121600000000, -0.0000182600000000 ] - [ -0.0021914400000000, 0.0021930800000000, 0.0008184000000000 ] - [ -0.0021806800000000, -0.0019737000000000, 0.0021660900000000 ] - [ -0.0000598300000000, -0.0001900900000000, 0.0001826400000000 ] - [ -0.0000524500000000, -0.0002136600000000, -0.0000797300000000 ] - [ -0.0006753100000000, 0.0019488400000000, -0.0012354400000000 ] - [ -0.0012247800000000, -0.0002311700000000, -0.0016087500000000 ] - [ 0.0015123000000000, 0.0023975200000000, -0.0006368700000000 ] - [ -0.0037866200000000, -0.0069545000000000, -0.0055548700000000 ] - [ -0.0004654200000000, 0.0000474300000000, -0.0005603400000000 ] - [ -0.0000788000000000, -0.0003098900000000, -0.0003726900000000 ] - [ 0.0004633800000000, 0.0007778000000000, 0.0010502500000000 ] - [ 0.0003019400000000, -0.0005999300000000, 0.0000010200000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000760400000000, 0.0001388900000000, -0.0004213800000000 ] - [ -0.0001183900000000, 0.0000415100000000, -0.0005302900000000 ] - [ 0.0000602600000000, 0.0001517300000000, -0.0003196900000000 ] - [ 0.0000961600000000, -0.0002098800000000, -0.0003851800000000 ] - [ 0.0000691800000000, 0.0005012800000000, -0.0006457600000000 ] - [ 0.0001229000000000, -0.0004734900000000, 0.0000536800000000 ] - [ 0.0000744100000000, 0.0003672900000000, -0.0000150100000000 ] - [ -0.0000232500000000, -0.0001883700000000, -0.0001303300000000 ] - [ 0.0028979000000000, -0.0018448600000000, 0.0055823700000000 ] - [ 0.0021888500000000, -0.0020412000000000, -0.0026967300000000 ] - [ 0.0002409400000000, 0.0008244100000000, 0.0005608600000000 ] - [ -0.0000862400000000, -0.0006648400000000, -0.0004314400000000 ] - [ 0.0058144800000000, 0.0016831200000000, -0.0052128700000000 ] - [ -0.0000667700000000, -0.0023496900000000, 0.0029878700000000 ] - [ -0.0043811300000000, 0.0035504400000000, -0.0012045800000000 ] - [ -0.0002478300000000, -0.0018794900000000, 0.0003254600000000 ] - [ -0.0062142700000000, -0.0058408100000000, -0.0021989300000000 ] - [ 0.0015884100000000, 0.0009219300000000, 0.0016824700000000 ] - [ 0.0000883900000000, -0.0001062600000000, 0.0000853800000000 ] - [ 0.0000558100000000, -0.0001933200000000, -0.0003821100000000 ] - [ 0.0229781000000000, 0.0086427300000000, 0.0156845800000000 ] - [ 0.0003170100000000, -0.0020639500000000, 0.0008115500000000 ] - [ -0.0000886600000000, 0.0004337600000000, -0.0012593900000000 ] - [ 0.0001307500000000, -0.0005963100000000, -0.0005529600000000 ] - [ 0.0002112600000000, 0.0011511200000000, 0.0007451500000000 ] - [ 0.0016880100000000, -0.0019821000000000, -0.0009800500000000 ] - [ 0.0004324700000000, -0.0000429700000000, -0.0005870400000000 ] - [ 0.0003898900000000, 0.0001396300000000, -0.0005044100000000 ] - [ -0.0042072400000000, -0.0010274800000000, 0.0032045800000000 ] - [ -0.0003127800000000, -0.0028682100000000, 0.0007341400000000 ] - [ 0.0006738100000000, 0.0049508200000000, 0.0019577400000000 ] - [ -0.0055341900000000, -0.0034410600000000, -0.0025828100000000 ] - [ -0.0001123400000000, 0.0000189300000000, -0.0007651100000000 ] - [ -0.0000280500000000, 0.0000753500000000, -0.0000016400000000 ] - [ -0.0000702800000000, 0.0025175200000000, -0.0014686900000000 ] - [ 0.0006323000000000, -0.0014394400000000, 0.0012143900000000 ] - [ -0.0002770200000000, 0.0003602600000000, -0.0005889400000000 ] - [ -0.0004032900000000, -0.0001558800000000, -0.0005176200000000 ] - [ 0.1449705500000000, 0.1386285600000000, 0.0164982400000000 ] - [ 0.0018368500000000, -0.0068493600000000, -0.0000623400000000 ] - [ 0.0000165500000000, 0.0003300900000000, 0.0001027000000000 ] - [ 0.0000220500000000, 0.0004997000000000, -0.0000279600000000 ] - [ -0.0003478700000000, 0.0001583600000000, -0.0000465600000000 ] - [ -0.0007463600000000, 0.0001007200000000, -0.0002950300000000 ] - [ -0.0011555300000000, -0.0002468800000000, -0.0000564100000000 ] - [ -0.0002342300000000, -0.0002109700000000, -0.0000084800000000 ] - [ 0.0006338100000000, 0.0005460900000000, 0.0003264400000000 ] - [ 0.0001702200000000, -0.0005838800000000, 0.0002202800000000 ] - [ 0.0000892400000000, 0.0008091200000000, -0.0004811900000000 ] - [ -0.0002980300000000, -0.0011767700000000, 0.0001268600000000 ] - [ -0.0004553000000000, -0.0000436600000000, -0.0003858700000000 ] - [ -0.0004333000000000, -0.0006049200000000, 0.0002250200000000 ] - [ 0.0002468500000000, 0.0002035600000000, 0.0000057200000000 ] - [ 0.0001183000000000, 0.0001070000000000, -0.0000810500000000 ] - [ -0.0000029400000000, 0.0005129300000000, -0.0001399800000000 ] - [ -0.0000836600000000, 0.0003149200000000, -0.0000782900000000 ] - [ -0.0004001200000000, -0.0003806400000000, 0.0001147200000000 ] - [ -0.0002814100000000, -0.0001563500000000, 0.0001596400000000 ] - [ -0.0001545500000000, 0.0003401900000000, 0.0004268000000000 ] - [ -0.0001418300000000, 0.0005354900000000, 0.0004909600000000 ] - [ 0.0182094400000000, 0.0042855000000000, -0.0071720300000000 ] - [ -0.0009972300000000, 0.0021053100000000, -0.0006171600000000 ] - [ 0.0000787200000000, 0.0002341300000000, 0.0000085000000000 ] - [ 0.0000516700000000, 0.0002699300000000, 0.0000910100000000 ] - [ -0.2149768500000000, -0.1717963300000000, -0.0468230100000000 ] - [ 0.0003570100000000, 0.0021990400000000, -0.0000606000000000 ] - [ -0.0000909900000000, 0.0002639200000000, 0.0006643500000000 ] - [ -0.0001313600000000, 0.0002673300000000, 0.0004642500000000 ] - [ 0.0000692900000000, -0.0003664800000000, 0.0003501100000000 ] - [ 0.0002796900000000, 0.0004832000000000, -0.0005065700000000 ] - [ 0.0018873600000000, 0.0001700600000000, -0.0002166700000000 ] - [ 0.0015370200000000, 0.0007212600000000, -0.0003037300000000 ] - [ 0.0008718200000000, -0.0008543100000000, -0.0019075800000000 ] - [ 0.0002449500000000, 0.0007319300000000, 0.0001608400000000 ] - [ 0.0001663700000000, 0.0001331900000000, -0.0000686400000000 ] - [ 0.0001518300000000, 0.0002859400000000, 0.0002182300000000 ] - [ 0.0004074100000000, -0.0009989400000000, -0.0003942500000000 ] - [ 0.0012444100000000, 0.0004715100000000, 0.0002198500000000 ] - [ -0.0003353200000000, -0.0001761100000000, 0.0003513700000000 ] - [ -0.0003636300000000, 0.0004534400000000, -0.0001813800000000 ] - [ 0.0002052500000000, -0.0009567500000000, -0.0000808400000000 ] - [ -0.0000880500000000, 0.0008874100000000, -0.0002202900000000 ] - [ -0.0004759500000000, -0.0017582200000000, -0.0000860300000000 ] - [ -0.0007406800000000, 0.0009647900000000, -0.0005268200000000 ] - [ -0.0000891900000000, -0.0002729100000000, 0.0001382500000000 ] - [ -0.0002380700000000, 0.0007598000000000, 0.0010409400000000 ] - [ 0.0000203900000000, 0.0000211600000000, 0.0002235500000000 ] - [ -0.0000227200000000, 0.0001202700000000, 0.0002324400000000 ] - [ 0.0019374700000000, -0.0028708700000000, 0.0018485900000000 ] - [ 0.0006839300000000, 0.0025364100000000, 0.0004853700000000 ] - [ 0.0001800500000000, -0.0001513300000000, 0.0003668500000000 ] - [ 0.0001311200000000, 0.0002070200000000, 0.0001543900000000 ] - [ -0.0004281000000000, 0.0001428000000000, 0.0006164700000000 ] - [ -0.0003336800000000, 0.0001703500000000, 0.0003653300000000 ] - [ -0.0004830300000000, 0.0006699400000000, 0.0015029900000000 ] - [ -0.0004021500000000, -0.0007014800000000, -0.0004965500000000 ] - [ 0.0002350700000000, -0.0001903900000000, 0.0002470200000000 ] - [ 0.0001691400000000, -0.0000050700000000, 0.0002222100000000 ] - [ -0.0002377300000000, -0.0015140400000000, -0.0007596400000000 ] - [ -0.0002765400000000, 0.0017790200000000, 0.0008626100000000 ] - [ -0.0009320100000000, -0.0015963700000000, 0.0023553700000000 ] - [ -0.0002457800000000, 0.0012855600000000, -0.0008330900000000 ] - [ 0.0241786400000000, 0.0244392600000000, 0.0204377900000000 ] - [ -0.0014895000000000, 0.0037388400000000, -0.0008173400000000 ] - [ 0.0060568400000000, -0.0000517100000000, -0.0015752200000000 ] - [ -0.0000331900000000, 0.0011464900000000, -0.0007343200000000 ] - [ -0.0043505100000000, -0.0095154900000000, -0.0013899600000000 ] - [ -0.0009534400000000, 0.0035402900000000, -0.0010985700000000 ] - [ -0.0001543300000000, 0.0000332700000000, 0.0001785800000000 ] - [ -0.0000845100000000, 0.0001208400000000, 0.0001499900000000 ] - [ 0.0020855600000000, -0.0005421000000000, 0.0018703900000000 ] - [ 0.0004987600000000, 0.0007784200000000, -0.0003791600000000 ] - [ -0.0000631200000000, 0.0000142500000000, 0.0000550800000000 ] - [ 0.0001047400000000, 0.0002266400000000, 0.0001575800000000 ] - [ 0.0001572600000000, -0.0000349300000000, 0.0004030100000000 ] - [ 0.0000562300000000, 0.0002477000000000, 0.0001139200000000 ] - [ -0.0018294700000000, 0.0009117300000000, -0.0001092100000000 ] - [ 0.0022965700000000, 0.0009134800000000, -0.0017049200000000 ] - [ 0.0004788700000000, -0.0002959400000000, -0.0001673900000000 ] - [ 0.0007041100000000, -0.0001488300000000, 0.0003286800000000 ] - [ -0.0000796400000000, -0.0005516700000000, -0.0007305800000000 ] - [ 0.0011970100000000, 0.0001966500000000, 0.0011668600000000 ] - [ -0.0021240100000000, -0.0000070300000000, -0.0018069100000000 ] - [ 0.0045562900000000, 0.0065006100000000, 0.0060187700000000 ] - [ 0.0005037400000000, -0.0003471500000000, 0.0001027200000000 ] - [ 0.0000250200000000, 0.0001558300000000, -0.0003992700000000 ] - [ -0.0002720400000000, -0.0010567500000000, -0.0007376900000000 ] - [ -0.0005690600000000, 0.0012822200000000, 0.0004497000000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000558400000000, -0.0000021900000000, 0.0000938500000000 ] - [ -0.0000156200000000, 0.0000953200000000, 0.0002014500000000 ] - [ 0.0000104700000000, -0.0002648700000000, 0.0001412300000000 ] - [ -0.0000252600000000, 0.0000965900000000, 0.0002061500000000 ] - [ -0.0000291800000000, -0.0004804500000000, 0.0008330700000000 ] - [ -0.0000815800000000, 0.0004892100000000, 0.0001352700000000 ] - [ 0.0000575400000000, -0.0002206500000000, 0.0003420000000000 ] - [ 0.0001551100000000, 0.0003346200000000, 0.0004583400000000 ] - [ -0.0028592800000000, 0.0018397600000000, -0.0054000800000000 ] - [ -0.0021582000000000, 0.0020379000000000, 0.0029107100000000 ] - [ -0.0002823300000000, -0.0008403600000000, -0.0007462000000000 ] - [ 0.0000485200000000, 0.0006488900000000, 0.0002435000000000 ] - [ -0.0058692100000000, -0.0015360300000000, 0.0054086000000000 ] - [ 0.0000009100000000, 0.0024688100000000, -0.0028217400000000 ] - [ 0.0042842300000000, -0.0036651500000000, 0.0008366000000000 ] - [ 0.0001108700000000, 0.0017321200000000, -0.0006567300000000 ] - [ 0.0063153600000000, 0.0056952900000000, 0.0025290300000000 ] - [ -0.0014635500000000, -0.0011052800000000, -0.0013308300000000 ] - [ -0.0001586500000000, -0.0000133300000000, 0.0000935400000000 ] - [ -0.0001266600000000, 0.0000718400000000, 0.0005634100000000 ] - [ -0.0232907000000000, -0.0081999700000000, -0.0160962800000000 ] - [ -0.0002404400000000, 0.0021892600000000, -0.0009902800000000 ] - [ 0.0000501700000000, -0.0004243400000000, 0.0010685500000000 ] - [ -0.0001701500000000, 0.0006127100000000, 0.0003647100000000 ] - [ -0.0000783200000000, -0.0013655200000000, -0.0005087500000000 ] - [ -0.0015370000000000, 0.0017819600000000, 0.0011966200000000 ] - [ 0.0003243700000000, 0.0001501900000000, 0.0004542000000000 ] - [ 0.0003712900000000, -0.0000340800000000, 0.0003712800000000 ] - [ 0.0034750000000000, 0.0009054100000000, -0.0030652500000000 ] - [ -0.0004346300000000, 0.0027732000000000, -0.0005977200000000 ] - [ -0.0008131900000000, -0.0051430000000000, -0.0021859600000000 ] - [ 0.0054045700000000, 0.0032475100000000, 0.0023659600000000 ] - [ -0.0000310500000000, 0.0001878400000000, 0.0005398000000000 ] - [ -0.0001186200000000, 0.0001223700000000, -0.0002225100000000 ] - [ 0.0002154500000000, -0.0023167700000000, 0.0016892700000000 ] - [ -0.0004869000000000, 0.0016454500000000, -0.0009929700000000 ] - [ -0.0004800900000000, -0.0002518600000000, 0.0007236900000000 ] - [ -0.0003579600000000, 0.0002657300000000, 0.0006556500000000 ] - [ -0.1383827500000000, -0.1369610200000000, -0.0160192300000000 ] - [ -0.0010798400000000, 0.0067580900000000, -0.0000746300000000 ] - [ 0.0000024900000000, 0.0005775100000000, -0.0000149800000000 ] - [ -0.0000027600000000, 0.0004064600000000, 0.0001157100000000 ] - [ -0.0001030600000000, 0.0001487100000000, -0.0000636200000000 ] - [ 0.0002972300000000, 0.0002060800000000, 0.0001855800000000 ] - [ 0.0007050600000000, -0.0000593500000000, -0.0000512400000000 ] - [ -0.0002132900000000, -0.0000943000000000, -0.0001002400000000 ] - [ -0.0001897000000000, -0.0008517200000000, -0.0002202200000000 ] - [ 0.0002809100000000, 0.0002791100000000, -0.0001102100000000 ] - [ -0.0000707500000000, -0.0017075600000000, 0.0005700300000000 ] - [ 0.0003128400000000, 0.0002664500000000, -0.0000416500000000 ] - [ 0.0004408100000000, -0.0008700200000000, 0.0002990200000000 ] - [ 0.0004130700000000, -0.0002984700000000, -0.0003140700000000 ] - [ 0.0002046500000000, 0.0001032000000000, 0.0001048200000000 ] - [ 0.0003299300000000, 0.0001992800000000, 0.0001900700000000 ] - [ -0.0000155300000000, 0.0003950500000000, 0.0000523000000000 ] - [ 0.0000660800000000, 0.0005935600000000, -0.0000086300000000 ] - [ -0.0003790600000000, -0.0001426000000000, -0.0002241200000000 ] - [ -0.0004943700000000, -0.0003764200000000, -0.0002574300000000 ] - [ -0.0000515100000000, 0.0003086400000000, -0.0000803900000000 ] - [ -0.0000792700000000, 0.0001003100000000, -0.0001455600000000 ] - [ -0.0181306300000000, -0.0046232400000000, 0.0074963000000000 ] - [ 0.0008240500000000, -0.0024378700000000, 0.0010597200000000 ] - [ 0.0001321200000000, 0.0004163900000000, -0.0003585100000000 ] - [ 0.0001562600000000, 0.0003824600000000, -0.0004396800000000 ] - [ 0.2090842300000000, 0.1690898700000000, 0.0462660600000000 ] - [ -0.0004122200000000, -0.0024149700000000, 0.0002118800000000 ] - [ -0.0000847500000000, 0.0000599500000000, -0.0002232900000000 ] - [ -0.0000467100000000, 0.0000578100000000, -0.0000198200000000 ] - [ 0.0006648900000000, 0.0006218100000000, -0.0010193100000000 ] - [ 0.0004533500000000, -0.0002296900000000, -0.0001611600000000 ] - [ -0.0016125700000000, -0.0002148500000000, 0.0002399500000000 ] - [ -0.0012740000000000, -0.0007206400000000, 0.0003552200000000 ] - [ -0.0007072000000000, 0.0005363400000000, 0.0014642300000000 ] - [ -0.0000644000000000, -0.0010563200000000, -0.0006072100000000 ] - [ 0.0002244500000000, 0.0002568700000000, 0.0000250200000000 ] - [ 0.0002357800000000, 0.0000989500000000, -0.0002699300000000 ] - [ -0.0011565400000000, 0.0007331700000000, 0.0010784800000000 ] - [ -0.0019835000000000, -0.0007202300000000, 0.0004491600000000 ] - [ 0.0000341400000000, 0.0004822000000000, -0.0005573000000000 ] - [ 0.0000586200000000, -0.0001483200000000, -0.0000225300000000 ] - [ -0.0009814400000000, 0.0014979200000000, -0.0000040500000000 ] - [ -0.0006870600000000, -0.0003705400000000, 0.0001068000000000 ] - [ 0.0001774000000000, 0.0014609200000000, -0.0001292100000000 ] - [ 0.0004326800000000, -0.0012699200000000, 0.0003249300000000 ] - [ -0.0000280000000000, 0.0004969900000000, 0.0004895700000000 ] - [ 0.0001202300000000, -0.0005367800000000, -0.0004038200000000 ] - [ -0.0000713400000000, 0.0001902500000000, -0.0000683800000000 ] - [ -0.0000186900000000, 0.0000889700000000, -0.0000724600000000 ] - [ -0.0015518000000000, 0.0024805400000000, -0.0018804100000000 ] - [ -0.0002975200000000, -0.0029359600000000, -0.0005306600000000 ] - [ 0.0000014400000000, 0.0004779100000000, -0.0008110000000000 ] - [ 0.0000548400000000, 0.0001149400000000, -0.0005929400000000 ] - [ -0.0003178200000000, 0.0001207700000000, 0.0000640100000000 ] - [ -0.0004030600000000, 0.0000873200000000, 0.0003058400000000 ] - [ 0.0000904200000000, -0.0010592200000000, -0.0014587900000000 ] - [ 0.0000160400000000, 0.0003259900000000, 0.0005420000000000 ] - [ 0.0000483100000000, 0.0002153500000000, -0.0002113300000000 ] - [ 0.0001152100000000, 0.0000240100000000, -0.0001818400000000 ] - [ 0.0009931600000000, 0.0012483700000000, 0.0000604600000000 ] - [ 0.0010153900000000, -0.0020285100000000, -0.0015281400000000 ] - [ 0.0008195200000000, 0.0013831100000000, -0.0017245200000000 ] - [ 0.0001274000000000, -0.0015104300000000, 0.0014683900000000 ] - [ -0.0235366700000000, -0.0246324900000000, -0.0203085800000000 ] - [ 0.0017321700000000, -0.0044043800000000, 0.0004956200000000 ] - [ -0.0063300300000000, -0.0005698900000000, 0.0019225700000000 ] - [ -0.0001706800000000, -0.0018024900000000, 0.0010827200000000 ] - [ 0.0038140200000000, 0.0094218600000000, 0.0013216700000000 ] - [ 0.0006732000000000, -0.0035604300000000, 0.0010597600000000 ] - [ -0.0001286700000000, -0.0000190300000000, -0.0002210600000000 ] - [ -0.0001903900000000, -0.0001113000000000, -0.0001993800000000 ] - [ -0.0012998600000000, 0.0010633700000000, -0.0017537400000000 ] - [ 0.0002770800000000, -0.0002391500000000, 0.0004751700000000 ] - [ 0.0001081400000000, 0.0001948400000000, -0.0002117400000000 ] - [ -0.0000568200000000, -0.0000171500000000, -0.0003134100000000 ] - [ 0.0001475600000000, 0.0003350900000000, -0.0001960000000000 ] - [ 0.0002475200000000, 0.0000608500000000, 0.0000907000000000 ] - [ 0.0018790500000000, -0.0011235500000000, -0.0000426700000000 ] - [ -0.0022748800000000, -0.0011214700000000, 0.0015493100000000 ] - [ 0.0002994100000000, -0.0002267700000000, 0.0002776500000000 ] - [ 0.0000726300000000, -0.0003716700000000, -0.0002188000000000 ] - [ 0.0001978700000000, 0.0007738500000000, 0.0001017000000000 ] - [ -0.0010845500000000, 0.0000255600000000, -0.0018063900000000 ] - [ 0.0024204500000000, -0.0002890400000000, 0.0020059000000000 ] - [ -0.0042740600000000, -0.0068483200000000, -0.0058513100000000 ] - [ -0.0003826600000000, 0.0001218400000000, -0.0007364700000000 ] - [ 0.0000942400000000, -0.0003804100000000, -0.0002328500000000 ] - [ -0.0001166700000000, 0.0014408500000000, 0.0007851900000000 ] - [ 0.0001812900000000, -0.0009013800000000, -0.0004097300000000 ]- atom: 65 displacement: [ -0.0009337289454915, 0.0000000000000000, 0.0099563120811047 ] forces: - [ -0.0000540400000000, 0.0001229500000000, -0.0012943600000000 ] - [ -0.0000338300000000, 0.0000933800000000, -0.0012579700000000 ] - [ 0.0001483300000000, 0.0000506100000000, -0.0013327200000000 ] - [ 0.0000965900000000, -0.0000090900000000, -0.0011606500000000 ] - [ 0.0000467000000000, -0.0003892700000000, -0.0014557900000000 ] - [ 0.0000417800000000, 0.0000786000000000, -0.0011995800000000 ] - [ 0.0002338800000000, 0.0001750200000000, -0.0010758900000000 ] - [ 0.0001418300000000, 0.0000088400000000, -0.0007776600000000 ] - [ -0.0012128200000000, 0.0030572600000000, -0.0033535800000000 ] - [ 0.0009696000000000, -0.0024705000000000, 0.0001358200000000 ] - [ 0.0014957100000000, 0.0003733000000000, -0.0008977400000000 ] - [ 0.0002660900000000, -0.0001058400000000, -0.0004667200000000 ] - [ 0.0032033700000000, -0.0044586100000000, -0.0047558000000000 ] - [ 0.0003333600000000, 0.0011677900000000, 0.0004196700000000 ] - [ 0.0006969200000000, -0.0018502800000000, 0.0041943200000000 ] - [ -0.0002739100000000, -0.0001290200000000, 0.0018470700000000 ] - [ -0.0041726300000000, -0.0031192200000000, -0.0003140100000000 ] - [ -0.0016897300000000, 0.0014556500000000, 0.0007832700000000 ] - [ -0.0000574300000000, 0.0002167200000000, -0.0012842500000000 ] - [ 0.0000187600000000, -0.0004620600000000, -0.0010948900000000 ] - [ 0.0329516400000000, 0.0130067900000000, 0.0234206100000000 ] - [ -0.0000591000000000, 0.0007802700000000, 0.0024580100000000 ] - [ -0.0004334600000000, -0.0007020200000000, -0.0018519100000000 ] - [ -0.0001058400000000, 0.0005173700000000, -0.0008444000000000 ] - [ -0.0005557700000000, 0.0020043900000000, -0.0043175100000000 ] - [ 0.0006987100000000, -0.0013825700000000, -0.0010953500000000 ] - [ 0.0004939200000000, 0.0002396200000000, -0.0020454200000000 ] - [ 0.0003973900000000, 0.0001167700000000, -0.0020189400000000 ] - [ 0.0005114000000000, -0.0005534300000000, 0.0025932000000000 ] - [ 0.0011081300000000, -0.0019372400000000, 0.0021800400000000 ] - [ -0.0026547300000000, 0.0036903700000000, 0.0003117600000000 ] - [ -0.0031588900000000, -0.0012982100000000, -0.0004170700000000 ] - [ 0.0001095100000000, -0.0002271100000000, -0.0016690900000000 ] - [ 0.0002001100000000, 0.0004775500000000, -0.0011354100000000 ] - [ 0.0000540800000000, 0.0006339700000000, -0.0036294100000000 ] - [ 0.0003755100000000, 0.0001006800000000, -0.0010664200000000 ] - [ -0.0003868400000000, -0.0000108000000000, -0.0019545200000000 ] - [ -0.0004692100000000, -0.0001488900000000, -0.0015054100000000 ] - [ 0.0029424900000000, 0.0042764400000000, 0.0541313600000000 ] - [ 0.0005391300000000, -0.0000470400000000, 0.0043301300000000 ] - [ 0.0000095100000000, 0.0005303900000000, -0.0001047700000000 ] - [ 0.0002066400000000, 0.0002016000000000, -0.0000944800000000 ] - [ -0.0005180700000000, 0.0001597000000000, -0.0002719000000000 ] - [ -0.0004772700000000, 0.0001106600000000, -0.0001976300000000 ] - [ -0.0007843300000000, -0.0002257400000000, -0.0001295900000000 ] - [ -0.0004458400000000, -0.0001481200000000, -0.0001642900000000 ] - [ 0.0013354700000000, -0.0004745500000000, 0.0001319700000000 ] - [ 0.0005119900000000, 0.0001329100000000, 0.0000987900000000 ] - [ -0.0004737600000000, -0.0006181000000000, -0.0002735900000000 ] - [ -0.0001533200000000, -0.0006733300000000, 0.0000767800000000 ] - [ -0.0000378500000000, -0.0005849400000000, 0.0002769500000000 ] - [ 0.0000844600000000, 0.0000231500000000, 0.0000551100000000 ] - [ -0.0002462700000000, 0.0001904900000000, -0.0003819100000000 ] - [ -0.0000342500000000, 0.0001521500000000, -0.0002273900000000 ] - [ -0.0000382900000000, 0.0003940900000000, -0.0002565700000000 ] - [ -0.0000216800000000, 0.0004320900000000, -0.0001993400000000 ] - [ -0.0000886400000000, -0.0003484300000000, 0.0005804000000000 ] - [ -0.0002425200000000, -0.0002724800000000, 0.0003946400000000 ] - [ -0.0002100000000000, 0.0007684400000000, 0.0012161500000000 ] - [ -0.0001680200000000, 0.0007148500000000, 0.0010413400000000 ] - [ -0.0184899000000000, -0.0141813000000000, -0.0024192000000000 ] - [ -0.0002897500000000, 0.0010074000000000, -0.0021978300000000 ] - [ -0.0001214600000000, -0.0001618800000000, 0.0009089400000000 ] - [ -0.0001142700000000, 0.0000225800000000, 0.0007922100000000 ] - [ -0.0486837600000000, -0.0261009500000000, -0.0713746500000000 ] - [ -0.0006493000000000, -0.0002724200000000, -0.0014182800000000 ] - [ -0.0001050400000000, 0.0005401800000000, 0.0015195000000000 ] - [ -0.0001052800000000, 0.0004679300000000, 0.0014655900000000 ] - [ -0.0005586300000000, -0.0000353100000000, 0.0012014000000000 ] - [ -0.0000210000000000, 0.0000674200000000, 0.0003214100000000 ] - [ 0.0004861600000000, 0.0000398400000000, -0.0014402400000000 ] - [ 0.0001877600000000, -0.0002402000000000, -0.0009149800000000 ] - [ -0.0000070500000000, -0.0005353100000000, -0.0011444400000000 ] - [ -0.0000310900000000, 0.0000811200000000, -0.0006687100000000 ] - [ 0.0000032700000000, -0.0001499300000000, 0.0007921500000000 ] - [ 0.0001584300000000, 0.0003223600000000, 0.0006055200000000 ] - [ 0.0004968400000000, -0.0006970800000000, -0.0008115900000000 ] - [ 0.0006992400000000, 0.0002098000000000, -0.0006154000000000 ] - [ 0.0002424100000000, 0.0005885900000000, 0.0010282700000000 ] - [ -0.0001346400000000, 0.0001297400000000, 0.0003883600000000 ] - [ -0.0009774600000000, 0.0004179700000000, -0.0012116100000000 ] - [ -0.0005972100000000, -0.0003457100000000, -0.0006084100000000 ] - [ -0.0007419800000000, -0.0011969900000000, 0.0036293200000000 ] - [ -0.0005448100000000, 0.0001154200000000, -0.0000427800000000 ] - [ 0.0003718600000000, 0.0003639600000000, 0.0020959100000000 ] - [ 0.0000031800000000, 0.0005254900000000, 0.0012678900000000 ] - [ 0.0001256800000000, -0.0000410800000000, 0.0007665600000000 ] - [ 0.0001143500000000, -0.0000488700000000, 0.0007091100000000 ] - [ 0.0038706000000000, -0.0025776100000000, 0.0038490100000000 ] - [ 0.0006003100000000, 0.0005518700000000, -0.0000449500000000 ] - [ 0.0001891300000000, -0.0001997600000000, 0.0011896400000000 ] - [ 0.0001155100000000, -0.0001332500000000, 0.0007332500000000 ] - [ -0.0006911700000000, 0.0002121300000000, 0.0011117400000000 ] - [ -0.0006704500000000, 0.0000505900000000, 0.0009393000000000 ] - [ -0.0001776300000000, 0.0006224200000000, 0.0012529400000000 ] - [ -0.0003692500000000, -0.0014699500000000, 0.0008043400000000 ] - [ 0.0002550400000000, -0.0003167900000000, 0.0007874100000000 ] - [ 0.0002248800000000, -0.0001934900000000, 0.0006454000000000 ] - [ 0.0012559200000000, -0.0008887000000000, 0.0016193000000000 ] - [ 0.0000716800000000, 0.0008661200000000, 0.0004478000000000 ] - [ -0.0010552100000000, 0.0004774200000000, 0.0036332100000000 ] - [ -0.0002016200000000, -0.0010546500000000, 0.0010392000000000 ] - [ 0.0184130700000000, 0.0230826700000000, 0.0032074800000000 ] - [ 0.0005206200000000, -0.0020878200000000, -0.0017943900000000 ] - [ 0.0002602600000000, 0.0004541400000000, -0.0016944100000000 ] - [ -0.0000227900000000, 0.0007222200000000, -0.0016208400000000 ] - [ 0.0102216000000000, 0.0017481300000000, -0.0093194500000000 ] - [ 0.0000433500000000, 0.0012373100000000, -0.0017928100000000 ] - [ -0.0001315900000000, 0.0003104400000000, 0.0007905900000000 ] - [ -0.0001211400000000, 0.0002054800000000, 0.0006659800000000 ] - [ 0.0015124900000000, 0.0003231600000000, 0.0009117800000000 ] - [ 0.0007310700000000, 0.0001561200000000, 0.0001356500000000 ] - [ 0.0003061500000000, 0.0002425400000000, 0.0006490800000000 ] - [ 0.0003076100000000, 0.0003268400000000, 0.0005304100000000 ] - [ 0.0000282000000000, 0.0000445300000000, 0.0008354100000000 ] - [ 0.0000875800000000, -0.0000814700000000, 0.0006864500000000 ] - [ -0.0023768900000000, 0.0017387200000000, -0.0010531100000000 ] - [ -0.0010367700000000, -0.0002418600000000, -0.0009224900000000 ] - [ 0.0004963600000000, -0.0002524400000000, 0.0005555700000000 ] - [ 0.0004273600000000, 0.0000155400000000, 0.0004277300000000 ] - [ 0.0005397900000000, -0.0009743400000000, 0.0004855400000000 ] - [ 0.0006698500000000, 0.0005136300000000, -0.0000257300000000 ] - [ 0.0013855600000000, -0.0021526800000000, 0.0000473400000000 ] - [ 0.0028773200000000, 0.0033310800000000, 0.0017581500000000 ] - [ 0.0001004200000000, 0.0003041200000000, 0.0006411900000000 ] - [ 0.0000735700000000, -0.0000212400000000, 0.0002098300000000 ] - [ -0.0001625100000000, 0.0000087200000000, 0.0013913700000000 ] - [ -0.0002495200000000, 0.0003993700000000, 0.0005586200000000 ]- atom: 65 displacement: [ 0.0009337289454915, 0.0000000000000000, -0.0099563120811047 ] forces: - [ -0.0000634700000000, -0.0000034600000000, 0.0009616200000000 ] - [ -0.0000840700000000, 0.0000250500000000, 0.0009257900000000 ] - [ -0.0000717300000000, -0.0001638700000000, 0.0011269200000000 ] - [ -0.0000211000000000, -0.0001036800000000, 0.0009548000000000 ] - [ -0.0000084300000000, 0.0003976900000000, 0.0016249800000000 ] - [ -0.0000025300000000, -0.0000635500000000, 0.0013677800000000 ] - [ -0.0001160000000000, -0.0000502800000000, 0.0014090100000000 ] - [ -0.0000229400000000, 0.0001197500000000, 0.0011110200000000 ] - [ 0.0012206900000000, -0.0030665000000000, 0.0034981500000000 ] - [ -0.0009406200000000, 0.0024803800000000, 0.0000381700000000 ] - [ -0.0015217500000000, -0.0003838300000000, 0.0007283900000000 ] - [ -0.0003036300000000, 0.0000947100000000, 0.0003002300000000 ] - [ -0.0033105500000000, 0.0045213600000000, 0.0049537400000000 ] - [ -0.0004101500000000, -0.0010442700000000, -0.0002156200000000 ] - [ -0.0007638200000000, 0.0017325900000000, -0.0045545000000000 ] - [ 0.0001596200000000, 0.0000038000000000, -0.0021829900000000 ] - [ 0.0043081500000000, 0.0030270200000000, 0.0006549200000000 ] - [ 0.0017984000000000, -0.0016053900000000, -0.0004219000000000 ] - [ -0.0000190000000000, -0.0003375300000000, 0.0014912200000000 ] - [ -0.0000947700000000, 0.0003444100000000, 0.0013035200000000 ] - [ -0.0336752700000000, -0.0132206200000000, -0.0234554700000000 ] - [ 0.0001329400000000, -0.0006577600000000, -0.0026705200000000 ] - [ 0.0003978000000000, 0.0007138300000000, 0.0016898700000000 ] - [ 0.0000663300000000, -0.0005081500000000, 0.0006754700000000 ] - [ 0.0006704900000000, -0.0021994600000000, 0.0045232100000000 ] - [ -0.0005700900000000, 0.0011770200000000, 0.0013280400000000 ] - [ 0.0002749100000000, -0.0001487100000000, 0.0018989100000000 ] - [ 0.0003683800000000, -0.0000214000000000, 0.0018704500000000 ] - [ -0.0012480400000000, 0.0004582800000000, -0.0024392500000000 ] - [ -0.0018507500000000, 0.0018481100000000, -0.0020286500000000 ] - [ 0.0025318200000000, -0.0039308500000000, -0.0005494000000000 ] - [ 0.0030441500000000, 0.0011003700000000, 0.0001921800000000 ] - [ -0.0002488000000000, 0.0004339700000000, 0.0014478500000000 ] - [ -0.0003411900000000, -0.0002675700000000, 0.0009092500000000 ] - [ 0.0000850900000000, -0.0004437300000000, 0.0038712500000000 ] - [ -0.0002397800000000, 0.0001132000000000, 0.0012825800000000 ] - [ -0.0003808700000000, 0.0001015500000000, 0.0021048600000000 ] - [ -0.0002971200000000, 0.0002407800000000, 0.0016540700000000 ] - [ -0.0036991600000000, -0.0053463300000000, -0.0544266900000000 ] - [ 0.0002214900000000, -0.0000345400000000, -0.0044848100000000 ] - [ 0.0000076200000000, 0.0003625600000000, 0.0002123500000000 ] - [ -0.0001914700000000, 0.0006935500000000, 0.0002022000000000 ] - [ 0.0000522100000000, 0.0001430200000000, 0.0001738000000000 ] - [ 0.0000131900000000, 0.0001923400000000, 0.0000999300000000 ] - [ 0.0003223700000000, -0.0000762600000000, 0.0000333000000000 ] - [ -0.0000209200000000, -0.0001548400000000, 0.0000668300000000 ] - [ -0.0008782600000000, 0.0001676800000000, -0.0000409000000000 ] - [ -0.0000442200000000, -0.0004334600000000, -0.0000024400000000 ] - [ 0.0004872800000000, -0.0002800500000000, 0.0003872000000000 ] - [ 0.0001705000000000, -0.0002187600000000, 0.0000315900000000 ] - [ 0.0000247000000000, -0.0003123600000000, -0.0003849300000000 ] - [ -0.0000973300000000, -0.0009160300000000, -0.0001642600000000 ] - [ 0.0007103600000000, 0.0001125600000000, 0.0004790100000000 ] - [ 0.0005010400000000, 0.0001509000000000, 0.0003258900000000 ] - [ 0.0000221600000000, 0.0005000100000000, 0.0001493100000000 ] - [ 0.0000055000000000, 0.0004622600000000, 0.0000918900000000 ] - [ -0.0007220700000000, -0.0000898600000000, -0.0007507900000000 ] - [ -0.0005707300000000, -0.0001632700000000, -0.0005686200000000 ] - [ 0.0000710100000000, -0.0000822300000000, -0.0008647000000000 ] - [ 0.0000342700000000, -0.0000246600000000, -0.0006901200000000 ] - [ 0.0184232200000000, 0.0139941400000000, 0.0028739100000000 ] - [ 0.0001011900000000, -0.0013218900000000, 0.0026347600000000 ] - [ 0.0002628700000000, 0.0008481100000000, -0.0012614500000000 ] - [ 0.0002541900000000, 0.0006553100000000, -0.0011401100000000 ] - [ 0.0508143500000000, 0.0269531600000000, 0.0716634400000000 ] - [ 0.0005440100000000, 0.0000351700000000, 0.0015667700000000 ] - [ -0.0000877200000000, -0.0002313900000000, -0.0010914900000000 ] - [ -0.0000868400000000, -0.0001586300000000, -0.0010361700000000 ] - [ 0.0013263500000000, 0.0002499000000000, -0.0018932200000000 ] - [ 0.0007835700000000, 0.0001426600000000, -0.0010030400000000 ] - [ -0.0001987700000000, -0.0000556900000000, 0.0014825100000000 ] - [ 0.0000960500000000, 0.0002313400000000, 0.0009530000000000 ] - [ 0.0001965500000000, 0.0002287100000000, 0.0007094000000000 ] - [ 0.0002137400000000, -0.0003933900000000, 0.0002361500000000 ] - [ 0.0004091400000000, 0.0005514700000000, -0.0008022200000000 ] - [ 0.0002561700000000, 0.0000809400000000, -0.0006136900000000 ] - [ -0.0012709500000000, 0.0004957100000000, 0.0015023300000000 ] - [ -0.0014704200000000, -0.0004181000000000, 0.0013025200000000 ] - [ -0.0005640100000000, -0.0003072100000000, -0.0012652200000000 ] - [ -0.0001831800000000, 0.0001498400000000, -0.0006205500000000 ] - [ 0.0001623800000000, 0.0000241600000000, 0.0010490700000000 ] - [ -0.0002174200000000, 0.0007814600000000, 0.0004418700000000 ] - [ 0.0004203500000000, 0.0009031500000000, -0.0038052300000000 ] - [ 0.0002307200000000, -0.0003982800000000, -0.0001871600000000 ] - [ -0.0004786800000000, -0.0001344900000000, -0.0013825100000000 ] - [ -0.0001164800000000, -0.0002993300000000, -0.0005649000000000 ] - [ -0.0002307600000000, 0.0002731200000000, -0.0006230500000000 ] - [ -0.0002256000000000, 0.0002854700000000, -0.0005666900000000 ] - [ -0.0034910600000000, 0.0021995700000000, -0.0039047000000000 ] - [ -0.0001889900000000, -0.0009657100000000, 0.0000339700000000 ] - [ -0.0000000800000000, 0.0005093300000000, -0.0016220100000000 ] - [ 0.0000719600000000, 0.0004397700000000, -0.0011595800000000 ] - [ -0.0000665600000000, -0.0000030300000000, -0.0004327900000000 ] - [ -0.0000896700000000, 0.0001576300000000, -0.0002602100000000 ] - [ -0.0002334000000000, -0.0010251200000000, -0.0012464500000000 ] - [ -0.0000421800000000, 0.0010603400000000, -0.0007956800000000 ] - [ 0.0000451300000000, 0.0003177800000000, -0.0007423800000000 ] - [ 0.0000741300000000, 0.0001974300000000, -0.0006036600000000 ] - [ -0.0004748600000000, 0.0006815600000000, -0.0022879600000000 ] - [ 0.0006979300000000, -0.0010783500000000, -0.0011376900000000 ] - [ 0.0009630800000000, -0.0007065500000000, -0.0029623500000000 ] - [ 0.0000910500000000, 0.0008192800000000, -0.0003219800000000 ] - [ -0.0181738500000000, -0.0235482200000000, -0.0036042200000000 ] - [ -0.0003789700000000, 0.0013970200000000, 0.0014411900000000 ] - [ -0.0004224500000000, -0.0011361600000000, 0.0020424400000000 ] - [ -0.0001248800000000, -0.0013990200000000, 0.0019684700000000 ] - [ -0.0106268000000000, -0.0017954200000000, 0.0092008500000000 ] - [ -0.0003355600000000, -0.0012491300000000, 0.0017508800000000 ] - [ -0.0001693100000000, -0.0003064100000000, -0.0008359600000000 ] - [ -0.0001851800000000, -0.0002023800000000, -0.0007086500000000 ] - [ -0.0007034300000000, 0.0001148000000000, -0.0007511900000000 ] - [ 0.0000835700000000, 0.0002745500000000, 0.0000397500000000 ] - [ -0.0001949100000000, -0.0000062500000000, -0.0007950200000000 ] - [ -0.0001976500000000, -0.0000935600000000, -0.0006779700000000 ] - [ 0.0002917000000000, 0.0002381700000000, -0.0006034300000000 ] - [ 0.0002340900000000, 0.0003588700000000, -0.0004525800000000 ] - [ 0.0024688800000000, -0.0019604400000000, 0.0009054500000000 ] - [ 0.0011287800000000, 0.0000069100000000, 0.0007829700000000 ] - [ 0.0003166200000000, -0.0001836500000000, -0.0003850100000000 ] - [ 0.0003836500000000, -0.0004568700000000, -0.0002594700000000 ] - [ -0.0004264900000000, 0.0012076300000000, -0.0011882900000000 ] - [ -0.0005601000000000, -0.0002884500000000, -0.0006789000000000 ] - [ -0.0010620200000000, 0.0018847800000000, 0.0001824300000000 ] - [ -0.0025753500000000, -0.0036535300000000, -0.0015541100000000 ] - [ 0.0000085300000000, -0.0005303300000000, -0.0013519100000000 ] - [ 0.0000399600000000, -0.0002057100000000, -0.0009108100000000 ] - [ -0.0002493200000000, 0.0004011300000000, -0.0013770400000000 ] - [ -0.0001618600000000, -0.0000032100000000, -0.0005503800000000 ]- atom: 69 displacement: [ 0.0099999541101204, 0.0000000000000000, -0.0000302951396548 ] forces: - [ -0.0024329000000000, 0.0007048700000000, 0.0012878800000000 ] - [ -0.0004676700000000, -0.0002675900000000, 0.0003874600000000 ] - [ 0.0000357600000000, -0.0001726100000000, -0.0001495900000000 ] - [ 0.0002465800000000, -0.0001107500000000, -0.0000059400000000 ] - [ 0.0002121600000000, -0.0000313000000000, 0.0007493200000000 ] - [ 0.0004367200000000, 0.0002555900000000, 0.0011309300000000 ] - [ 0.0075992800000000, 0.0083576000000000, -0.0059224500000000 ] - [ 0.0013091900000000, 0.0029526700000000, 0.0031830200000000 ] - [ 0.0011391600000000, 0.0038723200000000, 0.0048904600000000 ] - [ -0.0002084100000000, -0.0047453100000000, 0.0015561400000000 ] - [ -0.0000199000000000, 0.0000396100000000, 0.0005646700000000 ] - [ 0.0000039600000000, 0.0000967100000000, 0.0005178800000000 ] - [ -0.0002016300000000, 0.0000774200000000, 0.0009382200000000 ] - [ -0.0001041000000000, 0.0000315800000000, 0.0008594000000000 ] - [ 0.0001881100000000, -0.0003203100000000, -0.0003144900000000 ] - [ 0.0000956200000000, -0.0001649700000000, -0.0002240500000000 ] - [ 0.0001657100000000, 0.0000261500000000, 0.0008631200000000 ] - [ 0.0001277900000000, -0.0001723200000000, 0.0009144800000000 ] - [ 0.0000619500000000, 0.0035609600000000, -0.0059020800000000 ] - [ 0.0026234900000000, -0.0077371600000000, -0.0055517000000000 ] - [ -0.0008864300000000, -0.0001035700000000, 0.0011740600000000 ] - [ -0.0003073100000000, 0.0005210700000000, 0.0003299800000000 ] - [ -0.0125314100000000, 0.0016562700000000, 0.0011038300000000 ] - [ -0.0015415100000000, 0.0002343900000000, -0.0011741400000000 ] - [ 0.0000625700000000, -0.0001937800000000, 0.0013377400000000 ] - [ 0.0000475600000000, -0.0000267500000000, 0.0011988300000000 ] - [ 0.0005716600000000, -0.0005547500000000, 0.0010521500000000 ] - [ 0.0093128200000000, 0.0043419600000000, 0.0018751100000000 ] - [ -0.0004939800000000, -0.0001932900000000, 0.0009606100000000 ] - [ -0.0004487200000000, 0.0000409500000000, 0.0008602900000000 ] - [ -0.0034009100000000, 0.0021615900000000, -0.0017317600000000 ] - [ -0.0021477700000000, -0.0011362800000000, -0.0003938900000000 ] - [ -0.0003297400000000, 0.0000468500000000, 0.0006545500000000 ] - [ -0.0003310900000000, 0.0000316800000000, 0.0007638100000000 ] - [ 0.2606286500000000, -0.0280874100000000, -0.1491834000000000 ] - [ 0.0045360000000000, -0.0008020300000000, -0.0035459400000000 ] - [ -0.0047453300000000, -0.0007851700000000, 0.0003688800000000 ] - [ -0.0042934600000000, -0.0001499500000000, -0.0001568500000000 ] - [ 0.0007869800000000, 0.0000407500000000, 0.0023921700000000 ] - [ 0.0003638200000000, -0.0002678800000000, 0.0013153500000000 ] - [ 0.0028270700000000, -0.0005403900000000, 0.0010392700000000 ] - [ -0.0051666400000000, 0.0182811600000000, -0.0020189700000000 ] - [ -0.0030059400000000, 0.0007372400000000, -0.0006347200000000 ] - [ -0.0048009400000000, -0.0010986400000000, -0.0018053600000000 ] - [ -0.0001329000000000, -0.0001606800000000, 0.0001085800000000 ] - [ -0.0001341500000000, -0.0001470600000000, 0.0001080600000000 ] - [ 0.0044953500000000, 0.0003287000000000, -0.0003777600000000 ] - [ 0.0008614100000000, -0.0000980800000000, -0.0001137700000000 ] - [ 0.0000187100000000, -0.0004351200000000, 0.0002079200000000 ] - [ 0.0000210600000000, -0.0004045700000000, 0.0001754500000000 ] - [ -0.0003291700000000, -0.0002461100000000, -0.0004128500000000 ] - [ -0.0001913000000000, -0.0002315500000000, -0.0002907400000000 ] - [ 0.0005331500000000, 0.0000778000000000, 0.0004778500000000 ] - [ 0.0003616000000000, 0.0001596000000000, 0.0002333600000000 ] - [ -0.0002282800000000, 0.0001908100000000, 0.0000112400000000 ] - [ -0.0000650600000000, 0.0004702200000000, 0.0000359700000000 ] - [ -0.0001818800000000, 0.0002007500000000, -0.0009420600000000 ] - [ -0.0004131800000000, -0.0001818300000000, -0.0003283800000000 ] - [ 0.0010320500000000, 0.0005679700000000, 0.0001042800000000 ] - [ 0.0006871200000000, 0.0005769200000000, 0.0002502600000000 ] - [ -0.0006875000000000, -0.0001785000000000, -0.0015847800000000 ] - [ -0.0003794100000000, 0.0006488600000000, -0.0008813000000000 ] - [ -0.0023373400000000, 0.0025288600000000, -0.0008212000000000 ] - [ -0.0034250500000000, -0.0004800200000000, 0.0007131400000000 ] - [ -0.0001655100000000, -0.0003854200000000, -0.0008576700000000 ] - [ -0.0000803400000000, -0.0001698800000000, -0.0003006000000000 ] - [ -0.0002298600000000, 0.0001794000000000, -0.0002275900000000 ] - [ -0.0017084200000000, -0.0017599600000000, -0.0019396500000000 ] - [ -0.3266859200000000, 0.0225844400000000, 0.1984444900000000 ] - [ -0.0033791300000000, 0.0004143900000000, 0.0013742000000000 ] - [ 0.0000458400000000, -0.0001601400000000, -0.0002797800000000 ] - [ 0.0001101600000000, -0.0000485500000000, -0.0002440600000000 ] - [ 0.0001184700000000, -0.0003083400000000, -0.0008573900000000 ] - [ 0.0001065000000000, -0.0003513700000000, -0.0008060300000000 ] - [ 0.0002692700000000, 0.0003017300000000, -0.0004175500000000 ] - [ 0.0002441100000000, 0.0002745900000000, -0.0003882100000000 ] - [ 0.0008331100000000, -0.0005510200000000, 0.0003998700000000 ] - [ 0.0006629500000000, -0.0000752800000000, 0.0001473600000000 ] - [ 0.0423275600000000, 0.0083587700000000, -0.0100731600000000 ] - [ -0.0005467000000000, -0.0008256500000000, 0.0006306900000000 ] - [ -0.0019362800000000, 0.0001245500000000, 0.0015067300000000 ] - [ -0.0005755300000000, 0.0001379200000000, 0.0004163500000000 ] - [ -0.0002499100000000, 0.0000374700000000, -0.0006298100000000 ] - [ -0.0002212100000000, -0.0000401400000000, -0.0005390600000000 ] - [ -0.0002578400000000, 0.0000234800000000, -0.0004042200000000 ] - [ -0.0001400600000000, -0.0002090200000000, -0.0003909800000000 ] - [ -0.0026493500000000, 0.0006948400000000, 0.0007321100000000 ] - [ -0.0008379600000000, 0.0007273000000000, -0.0002781500000000 ] - [ 0.0021382400000000, -0.0018989000000000, -0.0010504600000000 ] - [ 0.0005494900000000, 0.0000963400000000, 0.0003537800000000 ] - [ 0.0073241800000000, -0.0004495000000000, 0.0006710200000000 ] - [ 0.0017936300000000, -0.0002159700000000, 0.0000699800000000 ] - [ 0.0000159800000000, 0.0002192500000000, -0.0000474200000000 ] - [ 0.0000137300000000, 0.0000438500000000, -0.0001032800000000 ] - [ -0.0002325800000000, -0.0002332200000000, -0.0005421100000000 ] - [ -0.0002445900000000, -0.0001389800000000, -0.0006454700000000 ] - [ 0.0013853200000000, -0.0002614600000000, 0.0001463600000000 ] - [ 0.0022466400000000, -0.0009983900000000, -0.0003453600000000 ] - [ 0.0006014800000000, -0.0001015200000000, -0.0009049400000000 ] - [ 0.0005918600000000, -0.0001562400000000, -0.0008392000000000 ] - [ -0.0005137200000000, 0.0009380900000000, -0.0125362000000000 ] - [ -0.0011293300000000, -0.0013263000000000, 0.0013201100000000 ] - [ 0.0001543200000000, -0.0007771000000000, -0.0011218600000000 ] - [ 0.0001429100000000, -0.0005272400000000, -0.0008234500000000 ] - [ 0.0003067900000000, -0.0001501100000000, -0.0002950700000000 ] - [ 0.0001322500000000, -0.0002957000000000, -0.0001522500000000 ] - [ -0.0007142500000000, 0.0004003700000000, -0.0005901800000000 ] - [ -0.0004274100000000, 0.0002883800000000, -0.0004700800000000 ] - [ -0.0007946400000000, -0.0072052100000000, -0.0122921900000000 ] - [ -0.0003220800000000, -0.0000193100000000, -0.0002987100000000 ] - [ 0.0003333500000000, 0.0002518000000000, -0.0002630900000000 ] - [ 0.0003472300000000, 0.0002222000000000, -0.0002399400000000 ] - [ 0.0027230200000000, 0.0008716000000000, 0.0010270900000000 ] - [ 0.0023433500000000, 0.0016947600000000, 0.0011938500000000 ] - [ 0.0001215900000000, 0.0002034200000000, -0.0001164900000000 ] - [ -0.0000561800000000, 0.0001504000000000, -0.0001322900000000 ] - [ 0.0000640300000000, -0.0001185100000000, -0.0003985400000000 ] - [ 0.0000201400000000, -0.0000255000000000, -0.0004263600000000 ] - [ 0.0024957700000000, 0.0103625600000000, 0.0032242400000000 ] - [ 0.0103438300000000, -0.0215491900000000, 0.0023507500000000 ] - [ 0.0023994900000000, -0.0005910900000000, 0.0012788300000000 ] - [ 0.0043779600000000, 0.0023021600000000, -0.0002307100000000 ] - [ 0.0019142000000000, -0.0009620100000000, -0.0003090400000000 ] - [ 0.0018455200000000, 0.0007998100000000, 0.0001282700000000 ] - [ 0.0000305000000000, -0.0002274500000000, -0.0008596500000000 ] - [ 0.0000206700000000, -0.0002643800000000, -0.0009213100000000 ] - [ 0.0093795000000000, -0.0157560800000000, -0.0128602300000000 ] - [ -0.0017981900000000, 0.0028361100000000, 0.0008061100000000 ]- atom: 69 displacement: [ -0.0099999541101204, 0.0000000000000000, 0.0000302951396548 ] forces: - [ 0.0023221100000000, -0.0005972200000000, -0.0016182200000000 ] - [ 0.0003547500000000, 0.0003752800000000, -0.0007184500000000 ] - [ 0.0000297200000000, 0.0000608200000000, -0.0000594800000000 ] - [ -0.0001772200000000, -0.0000012900000000, -0.0002052000000000 ] - [ -0.0001735000000000, 0.0000407500000000, -0.0005855800000000 ] - [ -0.0003965800000000, -0.0002460800000000, -0.0009670100000000 ] - [ -0.0072323600000000, -0.0077831300000000, 0.0057496100000000 ] - [ -0.0011748500000000, -0.0028360500000000, -0.0028378700000000 ] - [ -0.0011083600000000, -0.0038740300000000, -0.0047319500000000 ] - [ 0.0002323700000000, 0.0047086500000000, -0.0013880400000000 ] - [ -0.0000218400000000, -0.0000493500000000, -0.0007352700000000 ] - [ -0.0000453000000000, -0.0001086100000000, -0.0006890400000000 ] - [ 0.0001232800000000, 0.0000373900000000, -0.0007308000000000 ] - [ 0.0000282500000000, 0.0000817500000000, -0.0006507900000000 ] - [ -0.0003028800000000, 0.0002022000000000, -0.0000184300000000 ] - [ -0.0002117500000000, 0.0000483600000000, -0.0001084500000000 ] - [ -0.0000470100000000, -0.0001359600000000, -0.0005339300000000 ] - [ -0.0000078300000000, 0.0000614300000000, -0.0005860100000000 ] - [ -0.0001713200000000, -0.0036774200000000, 0.0061249300000000 ] - [ -0.0027678100000000, 0.0076510800000000, 0.0057965900000000 ] - [ 0.0009559400000000, 0.0002279200000000, -0.0013899300000000 ] - [ 0.0003825600000000, -0.0004006100000000, -0.0005443900000000 ] - [ 0.0125563200000000, -0.0016763300000000, -0.0013146100000000 ] - [ 0.0014995700000000, -0.0002245300000000, 0.0010062000000000 ] - [ 0.0001228700000000, 0.0000089700000000, -0.0011139400000000 ] - [ 0.0001356300000000, -0.0001592500000000, -0.0009708600000000 ] - [ 0.0002250800000000, 0.0006850200000000, -0.0012331700000000 ] - [ -0.0085206500000000, -0.0042480900000000, -0.0020696200000000 ] - [ -0.0002874900000000, 0.0000947800000000, -0.0008129500000000 ] - [ -0.0003277100000000, -0.0001493300000000, -0.0007126300000000 ] - [ 0.0032192100000000, -0.0023618900000000, 0.0015013700000000 ] - [ 0.0019546900000000, 0.0009571200000000, 0.0001253200000000 ] - [ 0.0001406900000000, 0.0001379900000000, -0.0008851900000000 ] - [ 0.0001436600000000, 0.0001551700000000, -0.0009968300000000 ] - [ -0.2727347800000000, 0.0305261600000000, 0.1602516800000000 ] - [ -0.0043545600000000, 0.0009854100000000, 0.0037847400000000 ] - [ 0.0039685600000000, 0.0008632300000000, -0.0001782300000000 ] - [ 0.0035261100000000, 0.0002606900000000, 0.0003167000000000 ] - [ -0.0000036200000000, -0.0001480700000000, -0.0025408100000000 ] - [ 0.0004100300000000, 0.0001617600000000, -0.0014628000000000 ] - [ -0.0027998700000000, 0.0014037000000000, -0.0009168600000000 ] - [ 0.0053069700000000, -0.0173181600000000, 0.0020598100000000 ] - [ 0.0025074600000000, -0.0004569700000000, 0.0005299400000000 ] - [ 0.0042998500000000, 0.0014080400000000, 0.0017059400000000 ] - [ -0.0003789500000000, -0.0001335200000000, -0.0002171700000000 ] - [ -0.0003791000000000, -0.0001471900000000, -0.0002178400000000 ] - [ -0.0039651300000000, -0.0006216100000000, 0.0004966500000000 ] - [ -0.0003502300000000, -0.0001960700000000, 0.0002208700000000 ] - [ 0.0000110900000000, -0.0004160200000000, -0.0000908800000000 ] - [ 0.0000084700000000, -0.0004472100000000, -0.0000584400000000 ] - [ 0.0003019500000000, -0.0006084800000000, 0.0002934600000000 ] - [ 0.0001633900000000, -0.0006219100000000, 0.0001729700000000 ] - [ -0.0000223500000000, 0.0002164700000000, -0.0003705900000000 ] - [ 0.0001492500000000, 0.0001347400000000, -0.0001260800000000 ] - [ 0.0001996500000000, 0.0006623800000000, -0.0001286100000000 ] - [ 0.0000357400000000, 0.0003822200000000, -0.0001533900000000 ] - [ -0.0006595500000000, -0.0006029700000000, 0.0007774100000000 ] - [ -0.0004284500000000, -0.0002184000000000, 0.0001606400000000 ] - [ -0.0011719700000000, 0.0001341400000000, 0.0002422400000000 ] - [ -0.0008263800000000, 0.0001260100000000, 0.0001055000000000 ] - [ 0.0004580500000000, -0.0001413500000000, 0.0020225100000000 ] - [ 0.0001604400000000, -0.0009593800000000, 0.0013141200000000 ] - [ 0.0024958800000000, -0.0018793300000000, 0.0004972600000000 ] - [ 0.0035717000000000, 0.0011997300000000, -0.0010446900000000 ] - [ 0.0000621300000000, 0.0001616000000000, 0.0009816800000000 ] - [ -0.0000246100000000, -0.0000509500000000, 0.0004310400000000 ] - [ 0.0000027700000000, 0.0001344500000000, 0.0006749900000000 ] - [ 0.0014812200000000, 0.0020722300000000, 0.0023787700000000 ] - [ 0.3403305000000000, -0.0249131000000000, -0.2097884800000000 ] - [ 0.0041212900000000, -0.0001932200000000, -0.0020511200000000 ] - [ 0.0002804200000000, 0.0001845000000000, 0.0003404500000000 ] - [ 0.0002199900000000, 0.0000550300000000, 0.0002919700000000 ] - [ 0.0001134200000000, -0.0000061000000000, 0.0004208700000000 ] - [ 0.0001120000000000, 0.0000383400000000, 0.0003759200000000 ] - [ 0.0001557500000000, 0.0001263500000000, 0.0004036000000000 ] - [ 0.0001811000000000, 0.0001556900000000, 0.0003728000000000 ] - [ -0.0015769000000000, 0.0003366400000000, 0.0002678400000000 ] - [ -0.0014077700000000, -0.0001494000000000, 0.0005340300000000 ] - [ -0.0437368400000000, -0.0083334100000000, 0.0100483600000000 ] - [ 0.0002067200000000, 0.0010968000000000, -0.0008769000000000 ] - [ 0.0010895100000000, 0.0002739700000000, -0.0016697700000000 ] - [ -0.0002653200000000, 0.0002649800000000, -0.0005755100000000 ] - [ -0.0000878300000000, -0.0003119100000000, 0.0003901100000000 ] - [ -0.0001183600000000, -0.0002332800000000, 0.0003000200000000 ] - [ 0.0001403300000000, 0.0002199500000000, 0.0010959300000000 ] - [ 0.0000211600000000, 0.0004530700000000, 0.0010823100000000 ] - [ 0.0025545600000000, -0.0004702400000000, -0.0005901100000000 ] - [ 0.0007423900000000, -0.0005159900000000, 0.0004186400000000 ] - [ -0.0017128000000000, 0.0014800200000000, 0.0010535200000000 ] - [ -0.0001212600000000, -0.0005329400000000, -0.0003628400000000 ] - [ -0.0070909000000000, 0.0007828100000000, -0.0011363000000000 ] - [ -0.0015795700000000, 0.0005268600000000, -0.0005068400000000 ] - [ -0.0007512300000000, 0.0000017000000000, 0.0007105800000000 ] - [ -0.0007512900000000, 0.0001775300000000, 0.0007666800000000 ] - [ -0.0001930900000000, -0.0001976100000000, 0.0005577400000000 ] - [ -0.0001804300000000, -0.0002912700000000, 0.0006607500000000 ] - [ -0.0010786900000000, 0.0002498900000000, -0.0000962000000000 ] - [ -0.0019272500000000, 0.0009801400000000, 0.0003946900000000 ] - [ 0.0001286400000000, -0.0001147400000000, 0.0002467900000000 ] - [ 0.0001508500000000, -0.0000666400000000, 0.0001689400000000 ] - [ 0.0005676100000000, -0.0011164100000000, 0.0132008400000000 ] - [ 0.0010140900000000, 0.0010865600000000, -0.0006290500000000 ] - [ -0.0000139600000000, 0.0000889600000000, 0.0007710100000000 ] - [ -0.0000100900000000, -0.0001785600000000, 0.0004619800000000 ] - [ -0.0004415700000000, -0.0005576400000000, 0.0006593400000000 ] - [ -0.0002777800000000, -0.0003947800000000, 0.0005044000000000 ] - [ 0.0003793100000000, -0.0003754300000000, 0.0005284500000000 ] - [ 0.0001068700000000, -0.0002716700000000, 0.0004137800000000 ] - [ 0.0004444800000000, 0.0071724200000000, 0.0121740800000000 ] - [ -0.0000207800000000, -0.0000045700000000, 0.0002476300000000 ] - [ 0.0005074100000000, 0.0001480200000000, 0.0004268200000000 ] - [ 0.0004949500000000, 0.0001700000000000, 0.0004157900000000 ] - [ -0.0026089000000000, -0.0006378500000000, -0.0011673500000000 ] - [ -0.0022437000000000, -0.0014841600000000, -0.0013366900000000 ] - [ 0.0002205400000000, 0.0000677100000000, 0.0003607900000000 ] - [ 0.0003981500000000, 0.0001219400000000, 0.0003747400000000 ] - [ 0.0000417800000000, -0.0001058500000000, 0.0002703300000000 ] - [ 0.0000844400000000, -0.0001956600000000, 0.0002967200000000 ] - [ -0.0016939000000000, -0.0107073500000000, -0.0030509700000000 ] - [ -0.0095097500000000, 0.0208709500000000, -0.0021496800000000 ] - [ -0.0022859700000000, 0.0008373100000000, -0.0019696000000000 ] - [ -0.0042801200000000, -0.0020890400000000, -0.0004325100000000 ] - [ -0.0015729100000000, 0.0006947700000000, 0.0005532200000000 ] - [ -0.0014917800000000, -0.0010659900000000, 0.0001195900000000 ] - [ 0.0000873000000000, -0.0000161900000000, 0.0001688600000000 ] - [ 0.0000986900000000, 0.0000212400000000, 0.0002389000000000 ] - [ -0.0098205600000000, 0.0163877900000000, 0.0130801500000000 ] - [ 0.0013836300000000, -0.0024118200000000, -0.0007879500000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001285300000000, 0.0007238200000000, -0.0005524500000000 ] - [ -0.0005588700000000, -0.0005089100000000, 0.0001449000000000 ] - [ -0.0003509000000000, 0.0005159700000000, -0.0001451100000000 ] - [ 0.0006600100000000, -0.0006166600000000, -0.0000292700000000 ] - [ 0.0002145500000000, 0.0003135900000000, 0.0005726900000000 ] - [ -0.0001090000000000, -0.0002501700000000, -0.0002414800000000 ] - [ 0.0097803700000000, 0.0206429600000000, -0.0129740800000000 ] - [ -0.0002351000000000, -0.0050823500000000, -0.0034996200000000 ] - [ -0.0007921300000000, -0.0029574100000000, -0.0059341100000000 ] - [ -0.0009671600000000, -0.0019727800000000, 0.0016652200000000 ] - [ 0.0000050500000000, 0.0001271000000000, -0.0000295400000000 ] - [ -0.0000054600000000, -0.0001373700000000, -0.0000412000000000 ] - [ -0.0000213600000000, 0.0001513100000000, 0.0001113000000000 ] - [ -0.0000468500000000, -0.0000236000000000, 0.0002276600000000 ] - [ -0.0000128400000000, 0.0007046200000000, -0.0002075500000000 ] - [ -0.0000979500000000, -0.0006540900000000, 0.0001761500000000 ] - [ 0.0000628000000000, -0.0001904000000000, 0.0001784900000000 ] - [ 0.0000212500000000, 0.0000501900000000, 0.0002658800000000 ] - [ 0.0033702300000000, -0.0035131000000000, 0.0039683700000000 ] - [ -0.0032532300000000, -0.0025880100000000, -0.0008870500000000 ] - [ -0.0002906600000000, 0.0008562400000000, 0.0001048600000000 ] - [ 0.0001753600000000, -0.0009785100000000, -0.0003056300000000 ] - [ -0.0017671300000000, 0.0024273700000000, 0.0007321800000000 ] - [ 0.0005704100000000, -0.0019758900000000, 0.0001029000000000 ] - [ 0.0000341700000000, 0.0000350500000000, 0.0001680600000000 ] - [ 0.0000211300000000, -0.0002856800000000, 0.0002474700000000 ] - [ -0.0015508600000000, -0.0042671800000000, 0.0037996900000000 ] - [ 0.0027791300000000, 0.0044228400000000, -0.0052268500000000 ] - [ -0.0003446800000000, 0.0000994700000000, 0.0003340400000000 ] - [ -0.0003453200000000, -0.0002017100000000, -0.0000029500000000 ] - [ 0.0011138300000000, 0.0018865100000000, -0.0017461300000000 ] - [ 0.0006673900000000, -0.0019864900000000, 0.0021035500000000 ] - [ -0.0000347100000000, 0.0000256800000000, 0.0001592600000000 ] - [ 0.0000869300000000, 0.0001874100000000, -0.0002954100000000 ] - [ -0.0282582900000000, 0.0609862500000000, 0.0142354400000000 ] - [ -0.0007413400000000, -0.0054138000000000, 0.0005650600000000 ] - [ 0.0000080100000000, 0.0023016700000000, 0.0000927000000000 ] - [ 0.0002915500000000, -0.0018242900000000, -0.0006950500000000 ] - [ 0.0009025200000000, 0.0011858900000000, -0.0007757500000000 ] - [ 0.0000781500000000, -0.0006890400000000, 0.0006149200000000 ] - [ 0.0022229600000000, -0.0014435500000000, 0.0009989300000000 ] - [ 0.0107019600000000, -0.0065027300000000, -0.0005981300000000 ] - [ -0.0024491300000000, 0.0017861900000000, -0.0004625800000000 ] - [ 0.0033559300000000, 0.0030302200000000, 0.0014666500000000 ] - [ -0.0001759200000000, -0.0001523600000000, -0.0000178900000000 ] - [ -0.0001918100000000, -0.0001666500000000, -0.0000348900000000 ] - [ 0.0012149500000000, 0.0006045500000000, 0.0007002200000000 ] - [ -0.0000966900000000, -0.0004851200000000, -0.0001324500000000 ] - [ 0.0000064700000000, -0.0004388300000000, 0.0000556500000000 ] - [ -0.0000236400000000, -0.0005293700000000, 0.0000593300000000 ] - [ 0.0000247600000000, -0.0003890900000000, 0.0003825200000000 ] - [ 0.0001043900000000, -0.0007450700000000, -0.0002793100000000 ] - [ 0.0001990500000000, 0.0002336500000000, 0.0000160100000000 ] - [ 0.0001683500000000, 0.0000819000000000, 0.0000758800000000 ] - [ 0.0000282400000000, 0.0005905500000000, 0.0000273200000000 ] - [ -0.0000405200000000, 0.0003652500000000, -0.0001369500000000 ] - [ -0.0004519100000000, -0.0004346700000000, -0.0000681500000000 ] - [ -0.0002726900000000, -0.0000681200000000, -0.0001348900000000 ] - [ -0.0000874900000000, -0.0006076500000000, -0.0002236200000000 ] - [ -0.0002528300000000, 0.0012683600000000, 0.0008054500000000 ] - [ 0.0000584100000000, -0.0010180500000000, 0.0015282500000000 ] - [ -0.0000393300000000, 0.0004168700000000, -0.0004778300000000 ] - [ -0.0004647400000000, 0.0063120100000000, -0.0057146600000000 ] - [ 0.0005470100000000, 0.0020128100000000, 0.0054760300000000 ] - [ -0.0002504300000000, -0.0006319000000000, -0.0000914900000000 ] - [ 0.0001639900000000, 0.0002211100000000, 0.0000548500000000 ] - [ 0.0003935900000000, 0.0003725700000000, -0.0010331800000000 ] - [ -0.0008320400000000, -0.0004248800000000, 0.0009529200000000 ] - [ 0.0229205600000000, -0.0976655600000000, -0.0024164200000000 ] - [ 0.0007078100000000, 0.0035424100000000, -0.0009231800000000 ] - [ 0.0001371000000000, 0.0000705300000000, 0.0001317300000000 ] - [ 0.0001422800000000, -0.0001124500000000, -0.0001843200000000 ] - [ 0.0000868600000000, -0.0002444500000000, -0.0003323600000000 ] - [ 0.0000641600000000, -0.0000835600000000, -0.0001771100000000 ] - [ 0.0002026800000000, 0.0001301100000000, 0.0000350400000000 ] - [ 0.0001654100000000, 0.0002964900000000, -0.0000991000000000 ] - [ -0.0008617400000000, -0.0005426400000000, 0.0009873200000000 ] - [ -0.0003770400000000, 0.0003089100000000, -0.0004342500000000 ] - [ 0.0148776000000000, -0.0080821900000000, -0.0024714400000000 ] - [ 0.0001169400000000, 0.0028326500000000, 0.0003364000000000 ] - [ -0.0009211400000000, -0.0006561000000000, -0.0009124400000000 ] - [ -0.0002772900000000, 0.0009003600000000, 0.0001345800000000 ] - [ -0.0001600700000000, -0.0002133300000000, -0.0001302800000000 ] - [ -0.0001915600000000, -0.0000494700000000, -0.0001858700000000 ] - [ -0.0000449300000000, -0.0000852600000000, 0.0003356400000000 ] - [ -0.0000474200000000, 0.0002665800000000, 0.0003190200000000 ] - [ 0.0004900300000000, -0.0012427100000000, 0.0009140300000000 ] - [ -0.0010701500000000, 0.0020421200000000, -0.0009991600000000 ] - [ 0.0000554800000000, -0.0020514100000000, -0.0000225100000000 ] - [ -0.0000939800000000, 0.0011584800000000, -0.0002200800000000 ] - [ 0.0015804900000000, -0.0015595900000000, 0.0007368300000000 ] - [ -0.0007199500000000, 0.0014087300000000, -0.0001453800000000 ] - [ -0.0003501100000000, 0.0000999500000000, 0.0001811800000000 ] - [ -0.0005220300000000, 0.0000985200000000, 0.0005871300000000 ] - [ -0.0002045200000000, -0.0001155800000000, -0.0001132000000000 ] - [ -0.0002131600000000, -0.0002863000000000, 0.0000208200000000 ] - [ 0.0000901700000000, -0.0008000500000000, -0.0000412400000000 ] - [ -0.0009130700000000, 0.0003933800000000, 0.0010867600000000 ] - [ 0.0004084200000000, -0.0001492100000000, -0.0003787300000000 ] - [ 0.0004617900000000, -0.0000398800000000, -0.0004223000000000 ] - [ 0.0071406300000000, -0.0093297700000000, -0.0120055500000000 ] - [ 0.0002319700000000, 0.0023235600000000, -0.0001840300000000 ] - [ -0.0000421800000000, -0.0004343800000000, 0.0000209500000000 ] - [ 0.0001519400000000, -0.0002881000000000, -0.0003688300000000 ] - [ -0.0000996400000000, -0.0004884200000000, 0.0000777500000000 ] - [ -0.0001622000000000, -0.0000967200000000, 0.0001900700000000 ] - [ 0.0000308600000000, -0.0004549800000000, 0.0001155000000000 ] - [ -0.0002432800000000, 0.0002832600000000, -0.0001917200000000 ] - [ -0.0017853800000000, -0.0045929300000000, 0.0002924000000000 ] - [ 0.0008319700000000, 0.0016855600000000, -0.0001783400000000 ] - [ 0.0003643700000000, 0.0002345500000000, 0.0000809100000000 ] - [ 0.0003867900000000, 0.0002938100000000, 0.0000701100000000 ] - [ -0.0012983300000000, -0.0007331200000000, -0.0008007000000000 ] - [ 0.0004613600000000, 0.0007390100000000, 0.0002803300000000 ] - [ 0.0000910200000000, 0.0000058600000000, 0.0000159400000000 ] - [ 0.0001302900000000, 0.0003022200000000, 0.0001695400000000 ] - [ 0.0000036700000000, -0.0000939000000000, -0.0000243000000000 ] - [ 0.0000338100000000, -0.0001227300000000, -0.0001864600000000 ] - [ 0.0061293800000000, 0.0093185800000000, 0.0027662300000000 ] - [ -0.0150210500000000, 0.0189432700000000, -0.0017051000000000 ] - [ 0.0008477400000000, 0.0001634600000000, 0.0006808800000000 ] - [ -0.0018108000000000, 0.0004168700000000, -0.0021982300000000 ] - [ -0.0011077800000000, 0.0003718600000000, 0.0014072100000000 ] - [ 0.0001761500000000, -0.0000695400000000, -0.0006196900000000 ] - [ 0.0000398900000000, -0.0001828600000000, -0.0005333700000000 ] - [ 0.0000167600000000, -0.0000541000000000, -0.0002972000000000 ] - [ -0.0258293600000000, 0.0141178000000000, 0.0179691100000000 ] - [ 0.0000432900000000, 0.0033878200000000, -0.0002160700000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002446200000000, -0.0006033600000000, 0.0002206600000000 ] - [ 0.0004387400000000, 0.0006440900000000, -0.0004779500000000 ] - [ 0.0004285900000000, -0.0006282200000000, -0.0000589600000000 ] - [ -0.0005817000000000, 0.0005039500000000, -0.0001686800000000 ] - [ -0.0001810600000000, -0.0002985200000000, -0.0003971900000000 ] - [ 0.0001422300000000, 0.0002637700000000, 0.0004168800000000 ] - [ -0.0090416500000000, -0.0201125600000000, 0.0125566600000000 ] - [ 0.0003561600000000, 0.0052482200000000, 0.0038698100000000 ] - [ 0.0008188000000000, 0.0029556700000000, 0.0061013300000000 ] - [ 0.0009963300000000, 0.0019021900000000, -0.0015000400000000 ] - [ -0.0000378100000000, -0.0001418000000000, -0.0001382200000000 ] - [ -0.0000276900000000, 0.0001223200000000, -0.0001267800000000 ] - [ -0.0000555800000000, -0.0000389000000000, 0.0000950800000000 ] - [ -0.0000297700000000, 0.0001342200000000, -0.0000214800000000 ] - [ -0.0001020100000000, -0.0008362500000000, -0.0001217900000000 ] - [ -0.0000164500000000, 0.0005129700000000, -0.0005131900000000 ] - [ 0.0000555700000000, 0.0000616000000000, 0.0001586300000000 ] - [ 0.0000977000000000, -0.0001808000000000, 0.0000725200000000 ] - [ -0.0034327500000000, 0.0034004000000000, -0.0037731400000000 ] - [ 0.0032209200000000, 0.0024400100000000, 0.0010764000000000 ] - [ 0.0003596000000000, -0.0007351900000000, -0.0003021500000000 ] - [ -0.0001018400000000, 0.0010969500000000, 0.0001007400000000 ] - [ 0.0016834800000000, -0.0024086200000000, -0.0008952700000000 ] - [ -0.0006082100000000, 0.0019889200000000, -0.0002830700000000 ] - [ 0.0000822500000000, -0.0002399700000000, 0.0000625000000000 ] - [ 0.0000980800000000, 0.0000825900000000, -0.0000154200000000 ] - [ 0.0022899900000000, 0.0043625700000000, -0.0039321700000000 ] - [ -0.0020509100000000, -0.0043696300000000, 0.0051099400000000 ] - [ -0.0004029400000000, -0.0001961800000000, -0.0001821100000000 ] - [ -0.0004016900000000, 0.0001096200000000, 0.0001485900000000 ] - [ -0.0012289300000000, -0.0020728100000000, 0.0015036100000000 ] - [ -0.0008034700000000, 0.0017715700000000, -0.0023481900000000 ] - [ -0.0000822500000000, 0.0001812800000000, -0.0003835300000000 ] - [ -0.0002100200000000, 0.0000137300000000, 0.0000719100000000 ] - [ 0.0299283600000000, -0.0615839000000000, -0.0151177900000000 ] - [ 0.0008839300000000, 0.0056173800000000, -0.0003565300000000 ] - [ -0.0007509500000000, -0.0022081900000000, 0.0000445500000000 ] - [ -0.0010608600000000, 0.0019202000000000, 0.0008500800000000 ] - [ -0.0001544800000000, -0.0012731400000000, 0.0006404800000000 ] - [ 0.0006692500000000, 0.0005863000000000, -0.0007510200000000 ] - [ -0.0022156500000000, 0.0023943600000000, -0.0009036400000000 ] - [ -0.0107013100000000, 0.0073865700000000, 0.0007560500000000 ] - [ 0.0020334500000000, -0.0014555300000000, 0.0003768800000000 ] - [ -0.0037873300000000, -0.0027616800000000, -0.0015688800000000 ] - [ -0.0002352000000000, -0.0001607500000000, -0.0000686600000000 ] - [ -0.0002174200000000, -0.0001465400000000, -0.0000508600000000 ] - [ -0.0007729300000000, -0.0009173300000000, -0.0005988100000000 ] - [ 0.0005095500000000, 0.0001724400000000, 0.0002161000000000 ] - [ -0.0000039400000000, -0.0005032400000000, 0.0000393100000000 ] - [ 0.0000248000000000, -0.0004152800000000, 0.0000349700000000 ] - [ -0.0000237200000000, -0.0005618200000000, -0.0004794300000000 ] - [ -0.0001080300000000, -0.0001946200000000, 0.0001833800000000 ] - [ 0.0002122100000000, 0.0000787000000000, 0.0000710700000000 ] - [ 0.0002423500000000, 0.0002304300000000, 0.0000114100000000 ] - [ -0.0000300600000000, 0.0003525100000000, -0.0001218500000000 ] - [ 0.0000391900000000, 0.0005782600000000, 0.0000439300000000 ] - [ -0.0003074600000000, -0.0000868800000000, -0.0001103900000000 ] - [ -0.0004869000000000, -0.0004551300000000, -0.0000426000000000 ] - [ -0.0000675300000000, 0.0012712200000000, 0.0005684500000000 ] - [ 0.0000959600000000, -0.0006153300000000, -0.0004689500000000 ] - [ -0.0002266600000000, 0.0007044300000000, -0.0011077500000000 ] - [ -0.0001362700000000, -0.0007139600000000, 0.0008899200000000 ] - [ 0.0006031400000000, -0.0056012200000000, 0.0053269500000000 ] - [ -0.0004023300000000, -0.0013956300000000, -0.0058971500000000 ] - [ 0.0001620800000000, 0.0003912200000000, 0.0002401300000000 ] - [ -0.0002538100000000, -0.0004565900000000, 0.0000962300000000 ] - [ -0.0005601700000000, -0.0000687700000000, 0.0014445200000000 ] - [ 0.0006653600000000, 0.0007373800000000, -0.0005405800000000 ] - [ -0.0245893100000000, 0.0983331100000000, 0.0033411000000000 ] - [ 0.0000409100000000, -0.0033362500000000, 0.0002570200000000 ] - [ 0.0001588600000000, -0.0000913100000000, -0.0001002600000000 ] - [ 0.0001489200000000, 0.0000977500000000, 0.0002204600000000 ] - [ 0.0000844100000000, -0.0000634300000000, -0.0000924100000000 ] - [ 0.0001106400000000, -0.0002231900000000, -0.0002433700000000 ] - [ 0.0002020800000000, 0.0002872400000000, -0.0000570900000000 ] - [ 0.0002364600000000, 0.0001157000000000, 0.0000714100000000 ] - [ 0.0000873100000000, 0.0003202800000000, -0.0003032600000000 ] - [ -0.0003852400000000, -0.0005161400000000, 0.0011111600000000 ] - [ -0.0151281000000000, 0.0084634800000000, 0.0021743900000000 ] - [ -0.0004446100000000, -0.0025544900000000, -0.0005699900000000 ] - [ 0.0001435100000000, 0.0011800400000000, 0.0007309000000000 ] - [ -0.0004807800000000, -0.0003833000000000, -0.0003089800000000 ] - [ -0.0001579200000000, -0.0000669800000000, -0.0001063900000000 ] - [ -0.0001294700000000, -0.0002332700000000, -0.0000481800000000 ] - [ -0.0000626000000000, 0.0003121000000000, 0.0003608000000000 ] - [ -0.0000611300000000, -0.0000375900000000, 0.0003765000000000 ] - [ -0.0005870400000000, 0.0014894000000000, -0.0007599800000000 ] - [ 0.0009785200000000, -0.0017991800000000, 0.0011491900000000 ] - [ 0.0003536100000000, 0.0016241900000000, 0.0000016800000000 ] - [ 0.0004992900000000, -0.0015722400000000, 0.0002048200000000 ] - [ -0.0013991000000000, 0.0018645100000000, -0.0011514400000000 ] - [ 0.0009097400000000, -0.0011095100000000, -0.0002740900000000 ] - [ -0.0004206300000000, 0.0001140300000000, 0.0004963200000000 ] - [ -0.0002444800000000, 0.0001149100000000, 0.0000836300000000 ] - [ -0.0001998300000000, -0.0002981100000000, 0.0001288800000000 ] - [ -0.0001897900000000, -0.0001275300000000, -0.0000008100000000 ] - [ 0.0001888200000000, 0.0008046000000000, 0.0000875000000000 ] - [ 0.0012219700000000, -0.0003764900000000, -0.0010628600000000 ] - [ 0.0003634800000000, -0.0000681300000000, -0.0003025400000000 ] - [ 0.0003105600000000, -0.0001740700000000, -0.0002572200000000 ] - [ -0.0071585800000000, 0.0092239400000000, 0.0126770600000000 ] - [ -0.0003419900000000, -0.0025565100000000, 0.0008949200000000 ] - [ 0.0001954700000000, -0.0002261000000000, -0.0003627500000000 ] - [ 0.0000104400000000, -0.0003685000000000, 0.0000260100000000 ] - [ -0.0000589000000000, -0.0001680500000000, 0.0002573800000000 ] - [ 0.0000093200000000, -0.0005634700000000, 0.0001498200000000 ] - [ -0.0003223200000000, 0.0004359100000000, -0.0001565300000000 ] - [ -0.0000584100000000, -0.0002943700000000, 0.0001528000000000 ] - [ 0.0014936400000000, 0.0046376900000000, -0.0003219300000000 ] - [ -0.0011247700000000, -0.0016768300000000, 0.0001338500000000 ] - [ 0.0003948700000000, 0.0002849700000000, 0.0000957600000000 ] - [ 0.0003727300000000, 0.0002280700000000, 0.0001015700000000 ] - [ 0.0013848300000000, 0.0009669300000000, 0.0006469600000000 ] - [ -0.0003596500000000, -0.0004930200000000, -0.0004303300000000 ] - [ 0.0002288000000000, 0.0002712800000000, 0.0002198700000000 ] - [ 0.0001951300000000, -0.0000202300000000, 0.0000638800000000 ] - [ 0.0000874800000000, -0.0001448900000000, -0.0001290600000000 ] - [ 0.0000521200000000, -0.0001130400000000, 0.0000271500000000 ] - [ -0.0052581000000000, -0.0097012400000000, -0.0025441800000000 ] - [ 0.0161390800000000, -0.0199421700000000, 0.0019565000000000 ] - [ -0.0007323300000000, 0.0000589200000000, -0.0013662200000000 ] - [ 0.0019523900000000, -0.0001736700000000, 0.0015084900000000 ] - [ 0.0014242500000000, -0.0006526300000000, -0.0011662300000000 ] - [ 0.0001651900000000, -0.0001983200000000, 0.0008602600000000 ] - [ 0.0000676700000000, -0.0000481000000000, -0.0001683300000000 ] - [ 0.0000916600000000, -0.0001772600000000, -0.0004017700000000 ] - [ 0.0250565300000000, -0.0134916900000000, -0.0177055300000000 ] - [ -0.0004593500000000, -0.0029674800000000, 0.0002482100000000 ]- atom: 69 displacement: [ -0.0009337289454915, 0.0000000000000000, 0.0099563120811047 ] forces: - [ 0.0037204500000000, -0.0015218900000000, -0.0020046500000000 ] - [ 0.0005253100000000, 0.0004663600000000, -0.0007139400000000 ] - [ -0.0013607600000000, 0.0006569600000000, -0.0014559900000000 ] - [ -0.0006437100000000, -0.0001198800000000, -0.0005693700000000 ] - [ -0.0001767700000000, 0.0001732200000000, -0.0014264900000000 ] - [ -0.0006067200000000, -0.0006378000000000, -0.0022132100000000 ] - [ -0.0081659600000000, -0.0128216400000000, 0.0140590000000000 ] - [ 0.0009923700000000, -0.0015754500000000, 0.0024119600000000 ] - [ 0.0001823800000000, -0.0035814600000000, -0.0020887600000000 ] - [ 0.0024728000000000, 0.0101734000000000, -0.0008880600000000 ] - [ -0.0001018900000000, -0.0000904100000000, -0.0016466000000000 ] - [ -0.0000946100000000, -0.0002068700000000, -0.0014311000000000 ] - [ 0.0002458900000000, 0.0000226600000000, -0.0015765400000000 ] - [ 0.0000645300000000, 0.0001443000000000, -0.0015377700000000 ] - [ -0.0008842700000000, -0.0011342400000000, -0.0017834400000000 ] - [ -0.0004318400000000, 0.0004221400000000, -0.0007950100000000 ] - [ -0.0000518600000000, -0.0001350100000000, -0.0013100600000000 ] - [ 0.0000577800000000, 0.0001845300000000, -0.0015897600000000 ] - [ -0.0018303400000000, -0.0005684600000000, 0.0069584200000000 ] - [ -0.0032150300000000, 0.0003007800000000, 0.0053374700000000 ] - [ 0.0016892300000000, -0.0002896300000000, -0.0015769900000000 ] - [ 0.0003720800000000, -0.0000739600000000, -0.0005321500000000 ] - [ 0.0035049600000000, -0.0005089600000000, 0.0022644600000000 ] - [ 0.0008406000000000, -0.0002049800000000, 0.0017165200000000 ] - [ 0.0002597600000000, 0.0000409800000000, -0.0025916900000000 ] - [ 0.0002761100000000, -0.0001339900000000, -0.0021512800000000 ] - [ 0.0016997500000000, 0.0025315900000000, -0.0029322600000000 ] - [ -0.0064747600000000, -0.0072584700000000, -0.0062096500000000 ] - [ -0.0003812200000000, 0.0003050100000000, -0.0023317400000000 ] - [ -0.0005236200000000, -0.0002543900000000, -0.0016823700000000 ] - [ 0.0012430000000000, -0.0018433300000000, 0.0017357800000000 ] - [ 0.0017063100000000, 0.0015050000000000, 0.0027479400000000 ] - [ -0.0001881000000000, 0.0003410700000000, -0.0018886600000000 ] - [ -0.0002137200000000, -0.0000723300000000, -0.0020532500000000 ] - [ -0.1788831100000000, 0.0187176900000000, 0.1756886500000000 ] - [ -0.0024090100000000, 0.0013846200000000, 0.0037719500000000 ] - [ 0.0022037000000000, 0.0008238200000000, 0.0013675000000000 ] - [ 0.0011236400000000, -0.0007886500000000, 0.0021097400000000 ] - [ 0.0000682900000000, -0.0012204800000000, -0.0040039400000000 ] - [ 0.0009855400000000, 0.0007416900000000, -0.0032372200000000 ] - [ -0.0010623200000000, 0.0010996500000000, -0.0003503700000000 ] - [ 0.0016238400000000, -0.0055838100000000, 0.0084760800000000 ] - [ 0.0014857700000000, -0.0004435500000000, 0.0004534800000000 ] - [ 0.0008535600000000, 0.0003763500000000, 0.0004937200000000 ] - [ -0.0005661400000000, -0.0001158500000000, -0.0004142200000000 ] - [ -0.0005729900000000, -0.0001351700000000, -0.0004246800000000 ] - [ -0.0051125600000000, -0.0004589800000000, -0.0029073600000000 ] - [ 0.0000655400000000, -0.0000948000000000, 0.0002897400000000 ] - [ 0.0000308800000000, -0.0003983000000000, -0.0002519100000000 ] - [ 0.0000237600000000, -0.0004345900000000, -0.0001860100000000 ] - [ -0.0006354900000000, 0.0006259400000000, -0.0000785600000000 ] - [ 0.0000294100000000, -0.0006159000000000, 0.0000696000000000 ] - [ -0.0001858500000000, 0.0002793800000000, -0.0006823900000000 ] - [ 0.0000942200000000, 0.0001239000000000, -0.0002810600000000 ] - [ 0.0003144600000000, 0.0008344900000000, -0.0001638900000000 ] - [ 0.0000500700000000, 0.0003092000000000, -0.0001934000000000 ] - [ -0.0007959500000000, -0.0009241700000000, 0.0014407500000000 ] - [ -0.0004258400000000, -0.0002147100000000, 0.0003455000000000 ] - [ -0.0006949200000000, -0.0001920300000000, -0.0001818700000000 ] - [ -0.0003201200000000, 0.0002315000000000, -0.0002165200000000 ] - [ 0.0000132900000000, 0.0004809400000000, 0.0022729300000000 ] - [ -0.0000449000000000, -0.0021572300000000, 0.0026352500000000 ] - [ 0.0021476800000000, -0.0060091100000000, 0.0026360600000000 ] - [ 0.0019964600000000, 0.0057013900000000, 0.0006218100000000 ] - [ -0.0000523100000000, 0.0005841900000000, 0.0016693400000000 ] - [ -0.0003311100000000, -0.0002936800000000, 0.0007050200000000 ] - [ -0.0002940800000000, -0.0000684400000000, 0.0013112400000000 ] - [ 0.0010772900000000, 0.0030074000000000, 0.0040739200000000 ] - [ 0.2382083600000000, -0.0060444400000000, -0.2295250000000000 ] - [ 0.0024113700000000, -0.0004807300000000, -0.0023619900000000 ] - [ 0.0004590600000000, 0.0004431600000000, 0.0007545300000000 ] - [ 0.0003694200000000, 0.0001343200000000, 0.0008573300000000 ] - [ 0.0001429000000000, 0.0002357100000000, 0.0013164400000000 ] - [ 0.0001751700000000, 0.0002556300000000, 0.0010701700000000 ] - [ 0.0003708600000000, 0.0002259100000000, 0.0011519300000000 ] - [ 0.0002579400000000, 0.0000284800000000, 0.0008414300000000 ] - [ -0.0003977900000000, 0.0005533200000000, 0.0000564200000000 ] - [ -0.0006476200000000, -0.0009067800000000, 0.0001903100000000 ] - [ -0.0053225600000000, 0.0001636600000000, -0.0091637500000000 ] - [ -0.0002133000000000, 0.0003293000000000, -0.0016210500000000 ] - [ 0.0028691400000000, 0.0002518000000000, 0.0018037900000000 ] - [ -0.0003371100000000, 0.0000959100000000, -0.0004178300000000 ] - [ -0.0000059300000000, -0.0004681200000000, 0.0009640300000000 ] - [ -0.0000782400000000, -0.0003641300000000, 0.0007759700000000 ] - [ 0.0002154900000000, 0.0003408600000000, 0.0020396600000000 ] - [ 0.0000485600000000, 0.0007472900000000, 0.0018368800000000 ] - [ 0.0029534200000000, 0.0004792300000000, 0.0021736900000000 ] - [ 0.0011474500000000, -0.0011163900000000, 0.0009661200000000 ] - [ -0.0008875300000000, 0.0006865400000000, -0.0007200400000000 ] - [ 0.0000182300000000, -0.0010385500000000, -0.0009717200000000 ] - [ -0.0035381900000000, 0.0008231200000000, -0.0023027300000000 ] - [ -0.0003731600000000, 0.0007941500000000, -0.0020002500000000 ] - [ -0.0008199800000000, -0.0001315900000000, 0.0009496800000000 ] - [ -0.0007662700000000, 0.0002956800000000, 0.0009575500000000 ] - [ -0.0002042200000000, -0.0002645500000000, 0.0011682900000000 ] - [ -0.0001765600000000, -0.0003532600000000, 0.0014062600000000 ] - [ -0.0005993500000000, -0.0000863600000000, -0.0006065100000000 ] - [ -0.0012079200000000, 0.0015793200000000, -0.0010219100000000 ] - [ -0.0002425900000000, -0.0000897400000000, 0.0009819300000000 ] - [ -0.0001620900000000, -0.0000458100000000, 0.0007577700000000 ] - [ -0.0255730500000000, -0.0089686900000000, 0.0321358600000000 ] - [ 0.0003667900000000, 0.0007468500000000, -0.0011093400000000 ] - [ -0.0001539000000000, 0.0005870300000000, 0.0015438800000000 ] - [ -0.0002276000000000, -0.0000535600000000, 0.0012246000000000 ] - [ -0.0001225700000000, -0.0008917500000000, 0.0014651400000000 ] - [ -0.0001806700000000, -0.0006227900000000, 0.0008678100000000 ] - [ 0.0000407700000000, -0.0002405000000000, 0.0013050900000000 ] - [ 0.0001868700000000, -0.0006547100000000, 0.0010374500000000 ] - [ -0.0049822800000000, 0.0096433000000000, 0.0177812000000000 ] - [ -0.0008731700000000, -0.0005565000000000, 0.0000385700000000 ] - [ 0.0006117100000000, 0.0000645600000000, 0.0008202000000000 ] - [ 0.0005892900000000, 0.0000886300000000, 0.0008252600000000 ] - [ -0.0013323800000000, -0.0006749300000000, -0.0013988300000000 ] - [ -0.0005083500000000, -0.0001353200000000, -0.0011419300000000 ] - [ 0.0005101400000000, -0.0003091900000000, 0.0009432600000000 ] - [ 0.0007560700000000, 0.0001797900000000, 0.0008596500000000 ] - [ 0.0002043200000000, -0.0001571400000000, 0.0006097100000000 ] - [ 0.0003255300000000, -0.0004106900000000, 0.0007968700000000 ] - [ -0.0013054100000000, -0.0046544900000000, -0.0043156700000000 ] - [ -0.0008038700000000, 0.0022009000000000, -0.0050263200000000 ] - [ -0.0013599000000000, 0.0008234100000000, -0.0021426300000000 ] - [ -0.0010169700000000, 0.0000004200000000, -0.0019329800000000 ] - [ -0.0007803100000000, 0.0003912100000000, 0.0000883500000000 ] - [ -0.0030362800000000, -0.0016955500000000, -0.0000332400000000 ] - [ 0.0002492500000000, 0.0000937900000000, 0.0008101700000000 ] - [ 0.0002747900000000, 0.0002357100000000, 0.0009437700000000 ] - [ -0.0120129600000000, 0.0105783700000000, -0.0036408200000000 ] - [ 0.0001783900000000, -0.0020886300000000, -0.0027721100000000 ]- atom: 69 displacement: [ 0.0009337289454915, 0.0000000000000000, -0.0099563120811047 ] forces: - [ -0.0038470600000000, 0.0016389800000000, 0.0016646800000000 ] - [ -0.0006424700000000, -0.0003533700000000, 0.0003706800000000 ] - [ 0.0014461900000000, -0.0007724800000000, 0.0012359200000000 ] - [ 0.0007232200000000, 0.0000059500000000, 0.0003453200000000 ] - [ 0.0002125700000000, -0.0001626700000000, 0.0015881400000000 ] - [ 0.0006431600000000, 0.0006501900000000, 0.0023744100000000 ] - [ 0.0090301600000000, 0.0138466700000000, -0.0142435900000000 ] - [ -0.0008832800000000, 0.0016844300000000, -0.0021035400000000 ] - [ -0.0001401100000000, 0.0035687600000000, 0.0022727700000000 ] - [ -0.0024191600000000, -0.0100950000000000, 0.0010665200000000 ] - [ 0.0000664500000000, 0.0000789600000000, 0.0014817000000000 ] - [ 0.0000594700000000, 0.0001944800000000, 0.0012658200000000 ] - [ -0.0003207300000000, 0.0000896200000000, 0.0017918500000000 ] - [ -0.0001372800000000, -0.0000305400000000, 0.0017544600000000 ] - [ 0.0007642800000000, 0.0010078600000000, 0.0014502400000000 ] - [ 0.0003122700000000, -0.0005400800000000, 0.0004649900000000 ] - [ 0.0001648900000000, 0.0000216400000000, 0.0016435100000000 ] - [ 0.0000565000000000, -0.0002963400000000, 0.0019208100000000 ] - [ 0.0017586000000000, 0.0004474800000000, -0.0067485600000000 ] - [ 0.0031380400000000, -0.0004615300000000, -0.0051523600000000 ] - [ -0.0015943500000000, 0.0004057000000000, 0.0013581900000000 ] - [ -0.0002939600000000, 0.0001973000000000, 0.0003210500000000 ] - [ -0.0035913400000000, 0.0005320200000000, -0.0024060500000000 ] - [ -0.0008727500000000, 0.0002130100000000, -0.0018771600000000 ] - [ -0.0001178000000000, -0.0002433000000000, 0.0028149500000000 ] - [ -0.0001377500000000, -0.0000700200000000, 0.0023803100000000 ] - [ -0.0009471200000000, -0.0024468400000000, 0.0027773300000000 ] - [ 0.0072170500000000, 0.0073881400000000, 0.0060650700000000 ] - [ -0.0003801000000000, -0.0003914700000000, 0.0024882600000000 ] - [ -0.0002363000000000, 0.0001542100000000, 0.0018396600000000 ] - [ -0.0013852000000000, 0.0016425300000000, -0.0019570300000000 ] - [ -0.0018237900000000, -0.0017082400000000, -0.0029325400000000 ] - [ 0.0000503200000000, -0.0001376000000000, 0.0016556600000000 ] - [ 0.0000739800000000, 0.0002781600000000, 0.0018162300000000 ] - [ 0.1701981300000000, -0.0170900600000000, -0.1714807100000000 ] - [ 0.0025385700000000, -0.0011842500000000, -0.0035366600000000 ] - [ -0.0029576900000000, -0.0007358000000000, -0.0012285200000000 ] - [ -0.0018865500000000, 0.0008728700000000, -0.0019693500000000 ] - [ 0.0006898800000000, 0.0011110600000000, 0.0038377300000000 ] - [ -0.0002214400000000, -0.0008215000000000, 0.0030740500000000 ] - [ 0.0010682500000000, -0.0002105400000000, 0.0004618000000000 ] - [ -0.0014923800000000, 0.0064240300000000, -0.0084384500000000 ] - [ -0.0019501900000000, 0.0007377500000000, -0.0005467300000000 ] - [ -0.0013088200000000, -0.0000554900000000, -0.0005831000000000 ] - [ 0.0000900600000000, -0.0001846900000000, 0.0003161000000000 ] - [ 0.0000957800000000, -0.0001650600000000, 0.0003254800000000 ] - [ 0.0055373400000000, 0.0001543600000000, 0.0029976600000000 ] - [ 0.0004099800000000, -0.0002052500000000, -0.0001901300000000 ] - [ -0.0000131700000000, -0.0004852500000000, 0.0003636400000000 ] - [ -0.0000063900000000, -0.0004492000000000, 0.0002978000000000 ] - [ 0.0006154800000000, -0.0015063600000000, -0.0000307200000000 ] - [ -0.0000460400000000, -0.0002688800000000, -0.0001811700000000 ] - [ 0.0006589300000000, 0.0000211100000000, 0.0007796400000000 ] - [ 0.0003785800000000, 0.0001765600000000, 0.0003774300000000 ] - [ -0.0003318500000000, 0.0000504900000000, 0.0000505700000000 ] - [ -0.0000670400000000, 0.0005762800000000, 0.0000803900000000 ] - [ -0.0000185400000000, 0.0004903000000000, -0.0016080800000000 ] - [ -0.0003907200000000, -0.0002177200000000, -0.0005141200000000 ] - [ 0.0005519300000000, 0.0008874800000000, 0.0005434300000000 ] - [ 0.0001817400000000, 0.0004690600000000, 0.0005804600000000 ] - [ -0.0002232400000000, -0.0007821600000000, -0.0018439400000000 ] - [ -0.0001554600000000, 0.0018334000000000, -0.0021975900000000 ] - [ -0.0020197000000000, 0.0067554000000000, -0.0030133700000000 ] - [ -0.0018597600000000, -0.0050823800000000, -0.0009705200000000 ] - [ -0.0000566300000000, -0.0008097700000000, -0.0015248400000000 ] - [ 0.0002150900000000, 0.0000572400000000, -0.0005662600000000 ] - [ 0.0000923100000000, 0.0003773700000000, -0.0008830700000000 ] - [ -0.0012812100000000, -0.0027069600000000, -0.0036509700000000 ] - [ -0.2289830000000000, 0.0040839800000000, 0.2251317700000000 ] - [ -0.0016196100000000, 0.0006987300000000, 0.0016612400000000 ] - [ -0.0001556800000000, -0.0004377000000000, -0.0007057000000000 ] - [ -0.0000643200000000, -0.0001511500000000, -0.0008226400000000 ] - [ 0.0000728200000000, -0.0005427000000000, -0.0017445100000000 ] - [ 0.0000264700000000, -0.0005606900000000, -0.0014916000000000 ] - [ 0.0000475100000000, 0.0001957800000000, -0.0011653300000000 ] - [ 0.0001606900000000, 0.0003946000000000, -0.0008544700000000 ] - [ -0.0003761100000000, -0.0007598600000000, 0.0006319100000000 ] - [ -0.0001359500000000, 0.0006903400000000, 0.0004980600000000 ] - [ 0.0052628300000000, 0.0001445900000000, 0.0087729600000000 ] - [ -0.0001245000000000, -0.0000532600000000, 0.0013794900000000 ] - [ -0.0036629200000000, 0.0001781600000000, -0.0019746000000000 ] - [ -0.0004801100000000, 0.0003382600000000, 0.0002520900000000 ] - [ -0.0003288600000000, 0.0001918400000000, -0.0012013200000000 ] - [ -0.0002577500000000, 0.0000881800000000, -0.0010121400000000 ] - [ -0.0003270500000000, -0.0000974700000000, -0.0013126800000000 ] - [ -0.0001615400000000, -0.0005035200000000, -0.0011113800000000 ] - [ -0.0030761700000000, -0.0002585200000000, -0.0020604700000000 ] - [ -0.0012617900000000, 0.0013573100000000, -0.0008272300000000 ] - [ 0.0013099300000000, -0.0011147700000000, 0.0006872600000000 ] - [ 0.0003992200000000, 0.0006116200000000, 0.0009470500000000 ] - [ 0.0037686000000000, -0.0005258000000000, 0.0018934200000000 ] - [ 0.0005672800000000, -0.0004889400000000, 0.0015857900000000 ] - [ 0.0000436800000000, 0.0003427000000000, -0.0002534300000000 ] - [ -0.0000121000000000, -0.0000834100000000, -0.0002605300000000 ] - [ -0.0002167800000000, -0.0001584800000000, -0.0011545600000000 ] - [ -0.0002437000000000, -0.0000704800000000, -0.0013926200000000 ] - [ 0.0008758400000000, 0.0000774000000000, 0.0006733000000000 ] - [ 0.0015045100000000, -0.0015809400000000, 0.0010756400000000 ] - [ 0.0010105500000000, -0.0001163900000000, -0.0016671400000000 ] - [ 0.0009444400000000, -0.0001665800000000, -0.0014565800000000 ] - [ 0.0248557200000000, 0.0084753700000000, -0.0305099100000000 ] - [ -0.0004788200000000, -0.0009904900000000, 0.0018295100000000 ] - [ 0.0002950100000000, -0.0012584300000000, -0.0018866300000000 ] - [ 0.0003592900000000, -0.0006434100000000, -0.0015797800000000 ] - [ -0.0000115900000000, 0.0001980000000000, -0.0011089600000000 ] - [ 0.0000362300000000, -0.0000528300000000, -0.0005258800000000 ] - [ -0.0003464800000000, 0.0002490800000000, -0.0013561500000000 ] - [ -0.0004763100000000, 0.0006466000000000, -0.0010812700000000 ] - [ 0.0048270900000000, -0.0097370200000000, -0.0180924100000000 ] - [ 0.0005719500000000, 0.0005643300000000, -0.0000776200000000 ] - [ 0.0002087500000000, 0.0003677300000000, -0.0006551300000000 ] - [ 0.0002322300000000, 0.0003351200000000, -0.0006473700000000 ] - [ 0.0014393800000000, 0.0009087200000000, 0.0012588400000000 ] - [ 0.0006249400000000, 0.0003741800000000, 0.0010067800000000 ] - [ -0.0001738100000000, 0.0005831400000000, -0.0007006400000000 ] - [ -0.0004182900000000, 0.0000923100000000, -0.0006173900000000 ] - [ -0.0000955800000000, -0.0000753800000000, -0.0007495500000000 ] - [ -0.0002178200000000, 0.0001798500000000, -0.0009368300000000 ] - [ 0.0021071900000000, 0.0042045400000000, 0.0044906900000000 ] - [ 0.0015306200000000, -0.0025522300000000, 0.0051875700000000 ] - [ 0.0014693100000000, -0.0005808000000000, 0.0014154000000000 ] - [ 0.0011278700000000, 0.0002576700000000, 0.0011827400000000 ] - [ 0.0011192600000000, -0.0006693900000000, 0.0001414600000000 ] - [ 0.0033348600000000, 0.0014071000000000, 0.0002658800000000 ] - [ -0.0001374200000000, -0.0003363900000000, -0.0015356700000000 ] - [ -0.0001610400000000, -0.0004784900000000, -0.0016589500000000 ] - [ 0.0114860500000000, -0.0100704100000000, 0.0035396800000000 ] - [ -0.0005968400000000, 0.0025086200000000, 0.0027649600000000 ]- atom: 71 displacement: [ 0.0099999541101204, 0.0000000000000000, -0.0000302951396548 ] forces: - [ 0.0000737200000000, -0.0001349500000000, -0.0001094900000000 ] - [ 0.0000333700000000, 0.0001442500000000, -0.0001325100000000 ] - [ -0.0000001800000000, -0.0000541000000000, -0.0002764500000000 ] - [ -0.0000421400000000, -0.0001399300000000, -0.0004534100000000 ] - [ -0.0005191100000000, 0.0004484600000000, -0.0001225600000000 ] - [ -0.0001781200000000, -0.0002174700000000, 0.0000664400000000 ] - [ 0.0001711600000000, 0.0001379700000000, 0.0000487700000000 ] - [ 0.0001770900000000, 0.0000579700000000, 0.0000617600000000 ] - [ -0.0020583300000000, 0.0010182500000000, -0.0016153900000000 ] - [ -0.0007716700000000, -0.0001149600000000, -0.0004887700000000 ] - [ 0.0005901500000000, 0.0005091500000000, -0.0005193900000000 ] - [ -0.0018273300000000, -0.0014306600000000, -0.0036632500000000 ] - [ -0.0118682400000000, 0.0059647900000000, -0.0033669400000000 ] - [ -0.0016333900000000, -0.0008948500000000, 0.0004537600000000 ] - [ 0.0068354200000000, -0.0035729000000000, -0.0031066700000000 ] - [ 0.0069086400000000, -0.0014932500000000, 0.0006347100000000 ] - [ 0.0144024400000000, -0.0014364200000000, -0.0041168000000000 ] - [ 0.0011016700000000, -0.0020584900000000, 0.0016467300000000 ] - [ -0.0001614300000000, 0.0000655900000000, -0.0001117900000000 ] - [ -0.0001381600000000, -0.0001112900000000, -0.0000957600000000 ] - [ -0.0014953700000000, 0.0001092600000000, -0.0002355800000000 ] - [ -0.0055376700000000, -0.0006514700000000, 0.0047889800000000 ] - [ -0.0002004000000000, -0.0000021400000000, 0.0000751300000000 ] - [ -0.0001726700000000, 0.0000309000000000, 0.0003992200000000 ] - [ -0.0034513400000000, -0.0000957100000000, 0.0009305000000000 ] - [ -0.0040110900000000, -0.0006190400000000, 0.0004720400000000 ] - [ 0.0002846900000000, 0.0002198500000000, -0.0001621800000000 ] - [ 0.0003009300000000, 0.0000428700000000, -0.0001771900000000 ] - [ 0.0014149100000000, -0.0004899100000000, -0.0004645000000000 ] - [ 0.1993568800000000, 0.1064506600000000, 0.0513140600000000 ] - [ -0.0017536100000000, 0.0008680700000000, 0.0015906400000000 ] - [ -0.0007222800000000, -0.0015622300000000, 0.0003583100000000 ] - [ 0.0005276100000000, 0.0009660600000000, -0.0006538000000000 ] - [ -0.0001056400000000, -0.0003133000000000, -0.0011580900000000 ] - [ -0.0001138900000000, 0.0000464000000000, -0.0008419700000000 ] - [ -0.0001487900000000, 0.0000285500000000, -0.0005571300000000 ] - [ -0.0004042700000000, 0.0000328900000000, 0.0000806900000000 ] - [ -0.0004412300000000, -0.0001006000000000, 0.0000795700000000 ] - [ -0.0056847900000000, -0.0024486400000000, -0.0017364300000000 ] - [ -0.0079220800000000, 0.0012078100000000, -0.0018267000000000 ] - [ 0.0000509100000000, 0.0004236800000000, 0.0000093200000000 ] - [ 0.0000687500000000, 0.0003770900000000, 0.0000048500000000 ] - [ 0.0000274700000000, 0.0001681800000000, 0.0000723800000000 ] - [ -0.0000881500000000, 0.0001391800000000, -0.0000067300000000 ] - [ 0.0030527200000000, 0.0002280500000000, 0.0009934500000000 ] - [ 0.0002606800000000, -0.0003601100000000, -0.0000240500000000 ] - [ 0.0002433500000000, -0.0003335500000000, -0.0003005500000000 ] - [ 0.0003734700000000, -0.0000642200000000, -0.0005539500000000 ] - [ -0.0014448800000000, -0.0024954600000000, -0.0000375400000000 ] - [ 0.0002846600000000, -0.0002410000000000, 0.0002635900000000 ] - [ 0.0005050000000000, -0.0010655800000000, 0.0000791800000000 ] - [ 0.0014302300000000, -0.0004970400000000, -0.0004774800000000 ] - [ 0.0001093400000000, 0.0000495900000000, 0.0002386800000000 ] - [ 0.0001350400000000, 0.0002267400000000, 0.0001156600000000 ] - [ 0.0001517500000000, 0.0005248100000000, 0.0001686100000000 ] - [ 0.0000889600000000, 0.0004910900000000, -0.0000892600000000 ] - [ -0.0004718900000000, -0.0000869000000000, -0.0004471400000000 ] - [ -0.0004756500000000, -0.0003736400000000, -0.0001044800000000 ] - [ -0.0001312600000000, 0.0003605700000000, 0.0002093700000000 ] - [ -0.0001262100000000, 0.0003763800000000, 0.0002668100000000 ] - [ 0.0041592900000000, 0.0009196200000000, 0.0028836500000000 ] - [ 0.0013118100000000, -0.0012906800000000, 0.0023556900000000 ] - [ 0.0000706900000000, 0.0002437500000000, -0.0000735900000000 ] - [ 0.0000726000000000, 0.0003283700000000, -0.0000985000000000 ] - [ 0.0040077500000000, 0.0016301800000000, 0.0007775500000000 ] - [ 0.0043747000000000, 0.0012947000000000, 0.0005102100000000 ] - [ 0.0000038500000000, 0.0000970800000000, 0.0002622700000000 ] - [ -0.0000583500000000, 0.0002358400000000, 0.0002715200000000 ] - [ 0.0001930100000000, 0.0001033600000000, -0.0000069200000000 ] - [ 0.0002567100000000, 0.0001187200000000, -0.0000977900000000 ] - [ -0.2761551000000000, -0.1360695600000000, -0.0524437100000000 ] - [ -0.0014385600000000, 0.0006553000000000, 0.0001898200000000 ] - [ -0.0008726800000000, -0.0000278100000000, -0.0001718200000000 ] - [ -0.0053559800000000, 0.0094205000000000, 0.0094418800000000 ] - [ 0.0002760300000000, 0.0004487200000000, 0.0002416600000000 ] - [ 0.0002055900000000, -0.0003414900000000, 0.0008156800000000 ] - [ -0.0009607200000000, -0.0017682100000000, -0.0046921600000000 ] - [ -0.0004608700000000, 0.0008635600000000, -0.0004364600000000 ] - [ 0.0001756200000000, 0.0002676200000000, 0.0001167500000000 ] - [ 0.0002148300000000, 0.0002012500000000, 0.0000061000000000 ] - [ -0.0012035500000000, 0.0007548700000000, 0.0001492900000000 ] - [ -0.0020051000000000, -0.0000917300000000, 0.0002768300000000 ] - [ 0.0017136500000000, -0.0014663100000000, 0.0006606900000000 ] - [ 0.0018381700000000, 0.0004311500000000, 0.0006597600000000 ] - [ 0.0006663400000000, 0.0000164400000000, 0.0000556700000000 ] - [ 0.0005926000000000, 0.0002655500000000, 0.0002863200000000 ] - [ 0.0000532500000000, 0.0000831800000000, 0.0001345800000000 ] - [ 0.0001226500000000, 0.0000174100000000, 0.0001710800000000 ] - [ 0.0005870600000000, -0.0009103600000000, -0.0000590900000000 ] - [ 0.0003309100000000, 0.0006490000000000, -0.0011039100000000 ] - [ 0.0000837400000000, 0.0001611200000000, -0.0002526700000000 ] - [ 0.0000602600000000, 0.0002285300000000, -0.0003385900000000 ] - [ -0.0008551500000000, -0.0000570200000000, 0.0004445700000000 ] - [ -0.0005747900000000, 0.0002076500000000, 0.0006072600000000 ] - [ 0.0018398900000000, 0.0002710600000000, 0.0014878600000000 ] - [ 0.0005498900000000, 0.0001147400000000, -0.0001422100000000 ] - [ 0.0001442000000000, -0.0000273400000000, 0.0000430200000000 ] - [ 0.0001159900000000, 0.0000331300000000, 0.0000530400000000 ] - [ 0.0023978500000000, 0.0009554300000000, -0.0014671800000000 ] - [ 0.0015504900000000, -0.0000795200000000, -0.0009375200000000 ] - [ 0.0001395000000000, -0.0000225800000000, 0.0009664800000000 ] - [ 0.0001280200000000, -0.0003741900000000, 0.0007957700000000 ] - [ 0.0122466200000000, 0.0023819200000000, -0.0018133200000000 ] - [ 0.0021791600000000, -0.0008476400000000, -0.0009546200000000 ] - [ -0.0007103000000000, -0.0015222600000000, 0.0001556500000000 ] - [ 0.0067317500000000, 0.0192022800000000, -0.0048161700000000 ] - [ 0.0055311300000000, 0.0060102400000000, -0.0005530100000000 ] - [ 0.0055401000000000, -0.0121219300000000, 0.0042424900000000 ] - [ -0.0001516600000000, 0.0000284300000000, -0.0000032300000000 ] - [ -0.0001882600000000, -0.0000240200000000, 0.0000080200000000 ] - [ 0.0015592500000000, 0.0043865100000000, -0.0102327700000000 ] - [ -0.0001214700000000, 0.0003831200000000, -0.0001184600000000 ] - [ 0.0000935600000000, 0.0000972600000000, -0.0000287800000000 ] - [ 0.0001231600000000, 0.0001656200000000, -0.0000136900000000 ] - [ 0.0001980000000000, -0.0000408600000000, 0.0001917000000000 ] - [ 0.0003039000000000, 0.0002209300000000, 0.0003062700000000 ] - [ 0.0419980100000000, 0.0040011100000000, 0.0145166700000000 ] - [ -0.0000291800000000, 0.0007065200000000, 0.0001346300000000 ] - [ 0.0001837000000000, -0.0002601300000000, 0.0001262900000000 ] - [ 0.0002556300000000, -0.0001840300000000, 0.0001478100000000 ] - [ 0.0002773200000000, 0.0002942800000000, -0.0010260300000000 ] - [ 0.0001018000000000, 0.0004770900000000, -0.0006202100000000 ] - [ 0.0013379800000000, -0.0011450800000000, -0.0011767000000000 ] - [ 0.0009579800000000, 0.0002967400000000, 0.0002652300000000 ] - [ -0.0015221600000000, -0.0005393500000000, 0.0000027900000000 ] - [ -0.0000464500000000, 0.0009449500000000, 0.0006592300000000 ] - [ 0.0000284400000000, 0.0001284000000000, 0.0005265400000000 ] - [ -0.0000338300000000, 0.0002135400000000, 0.0003414300000000 ]- atom: 71 displacement: [ -0.0099999541101204, 0.0000000000000000, 0.0000302951396548 ] forces: - [ -0.0002054000000000, 0.0002660700000000, -0.0002234600000000 ] - [ -0.0001652700000000, -0.0000136100000000, -0.0002003300000000 ] - [ 0.0000767600000000, -0.0000623900000000, 0.0000892300000000 ] - [ 0.0001194000000000, 0.0000226600000000, 0.0002682900000000 ] - [ 0.0005643000000000, -0.0004274000000000, 0.0002960800000000 ] - [ 0.0002238400000000, 0.0002359400000000, 0.0001132200000000 ] - [ -0.0000439100000000, 0.0000010800000000, 0.0002809000000000 ] - [ -0.0000490300000000, 0.0000821200000000, 0.0002688200000000 ] - [ 0.0021087000000000, -0.0010375600000000, 0.0018099900000000 ] - [ 0.0008172300000000, 0.0000999800000000, 0.0006755200000000 ] - [ -0.0006218900000000, -0.0005230600000000, 0.0003358000000000 ] - [ 0.0017999800000000, 0.0014183500000000, 0.0035019400000000 ] - [ 0.0117283000000000, -0.0057934400000000, 0.0034944600000000 ] - [ 0.0015605500000000, 0.0010106500000000, -0.0002671400000000 ] - [ -0.0070745900000000, 0.0035210700000000, 0.0028518600000000 ] - [ -0.0070278800000000, 0.0013534500000000, -0.0009597900000000 ] - [ -0.0154328200000000, 0.0020236900000000, 0.0053873300000000 ] - [ -0.0009781700000000, 0.0019302100000000, -0.0013163400000000 ] - [ 0.0000865200000000, -0.0001904500000000, 0.0002960200000000 ] - [ 0.0000620700000000, -0.0000128900000000, 0.0002807200000000 ] - [ 0.0015909900000000, 0.0000177600000000, 0.0000531400000000 ] - [ 0.0056100300000000, 0.0007643800000000, -0.0049481900000000 ] - [ 0.0001556200000000, 0.0000128500000000, -0.0002624600000000 ] - [ 0.0001293400000000, -0.0000086500000000, -0.0005842000000000 ] - [ 0.0035986500000000, -0.0000873800000000, -0.0007147600000000 ] - [ 0.0041553900000000, 0.0003933100000000, -0.0002445300000000 ] - [ 0.0004793800000000, -0.0001075100000000, 0.0000211400000000 ] - [ 0.0004681200000000, 0.0000683800000000, 0.0000384300000000 ] - [ -0.0021926600000000, 0.0003442900000000, 0.0006243600000000 ] - [ -0.1917342900000000, -0.0987886600000000, -0.0474500600000000 ] - [ 0.0016489900000000, -0.0010680200000000, -0.0018228300000000 ] - [ 0.0005498300000000, 0.0013704400000000, -0.0005770500000000 ] - [ -0.0006926800000000, -0.0007765900000000, 0.0004287000000000 ] - [ -0.0000615300000000, 0.0005068100000000, 0.0009400200000000 ] - [ 0.0002826700000000, 0.0001455800000000, 0.0010664200000000 ] - [ 0.0003192800000000, 0.0001623500000000, 0.0007827400000000 ] - [ -0.0003620300000000, 0.0000819600000000, 0.0000546300000000 ] - [ -0.0003302400000000, 0.0002160300000000, 0.0000598800000000 ] - [ 0.0064252100000000, 0.0023853300000000, 0.0016169900000000 ] - [ 0.0086837500000000, -0.0013273500000000, 0.0016861800000000 ] - [ -0.0000395300000000, 0.0005030100000000, 0.0000824800000000 ] - [ -0.0000565800000000, 0.0005480500000000, 0.0000874500000000 ] - [ -0.0004663100000000, 0.0001412500000000, -0.0001739900000000 ] - [ -0.0003481300000000, 0.0001704300000000, -0.0000921000000000 ] - [ -0.0034792900000000, -0.0005401100000000, -0.0010744300000000 ] - [ -0.0006944800000000, 0.0000516800000000, -0.0000740600000000 ] - [ 0.0001869600000000, 0.0000256900000000, 0.0003997300000000 ] - [ 0.0000571500000000, -0.0002474000000000, 0.0006525300000000 ] - [ 0.0014481700000000, 0.0015569000000000, 0.0001224100000000 ] - [ -0.0002743500000000, -0.0006861500000000, -0.0001733100000000 ] - [ -0.0005162500000000, 0.0001358200000000, -0.0001718600000000 ] - [ -0.0014531500000000, -0.0004143700000000, 0.0003754100000000 ] - [ 0.0003227200000000, 0.0002598700000000, -0.0001407900000000 ] - [ 0.0002966600000000, 0.0000822500000000, -0.0000171800000000 ] - [ -0.0001650700000000, 0.0004009100000000, -0.0002604400000000 ] - [ -0.0001013300000000, 0.0004355700000000, -0.0000018500000000 ] - [ -0.0002831600000000, -0.0004452300000000, 0.0002637500000000 ] - [ -0.0002788100000000, -0.0001624300000000, -0.0000755800000000 ] - [ -0.0000331200000000, 0.0002895700000000, 0.0001365600000000 ] - [ -0.0000479800000000, 0.0002650500000000, 0.0000788300000000 ] - [ -0.0043644000000000, -0.0012589800000000, -0.0025091000000000 ] - [ -0.0014953100000000, 0.0009716600000000, -0.0019409800000000 ] - [ 0.0000925100000000, 0.0004078600000000, -0.0002724200000000 ] - [ 0.0000898300000000, 0.0003268800000000, -0.0002497000000000 ] - [ -0.0040860700000000, -0.0018618000000000, -0.0006437600000000 ] - [ -0.0044487600000000, -0.0015046000000000, -0.0003750800000000 ] - [ -0.0001822800000000, 0.0002281600000000, 0.0001659800000000 ] - [ -0.0001221300000000, 0.0000884000000000, 0.0001560100000000 ] - [ 0.0004868000000000, 0.0001291800000000, -0.0006032500000000 ] - [ 0.0004204700000000, 0.0001130000000000, -0.0005112900000000 ] - [ 0.2688288300000000, 0.1272074900000000, 0.0474260400000000 ] - [ 0.0017683800000000, -0.0006287400000000, -0.0001251800000000 ] - [ 0.0010443000000000, -0.0002893900000000, -0.0002583000000000 ] - [ 0.0053580200000000, -0.0097734400000000, -0.0099021600000000 ] - [ 0.0001295500000000, -0.0000758800000000, -0.0002709000000000 ] - [ 0.0001980700000000, 0.0007138900000000, -0.0008552400000000 ] - [ 0.0001671800000000, 0.0015077300000000, 0.0053905100000000 ] - [ -0.0002168500000000, -0.0010892500000000, 0.0010415400000000 ] - [ -0.0004704800000000, 0.0000363500000000, -0.0003218700000000 ] - [ -0.0005102100000000, 0.0001027800000000, -0.0002109300000000 ] - [ 0.0004530600000000, -0.0002209900000000, -0.0003359300000000 ] - [ 0.0012537100000000, 0.0006119100000000, -0.0004681700000000 ] - [ -0.0019976900000000, 0.0011433600000000, -0.0008500400000000 ] - [ -0.0021411700000000, -0.0007290100000000, -0.0008613500000000 ] - [ -0.0007892600000000, 0.0001755900000000, 0.0005512000000000 ] - [ -0.0007152900000000, -0.0000669000000000, 0.0003145900000000 ] - [ -0.0001308300000000, 0.0001344500000000, 0.0000067700000000 ] - [ -0.0001886000000000, 0.0001949800000000, -0.0000253000000000 ] - [ -0.0001942900000000, 0.0005491700000000, 0.0000329200000000 ] - [ 0.0000748700000000, -0.0010237800000000, 0.0010706100000000 ] - [ 0.0000986600000000, 0.0001642900000000, -0.0001714000000000 ] - [ 0.0001263900000000, 0.0000969800000000, -0.0000886600000000 ] - [ 0.0001669400000000, 0.0002948000000000, 0.0001731000000000 ] - [ -0.0001083400000000, 0.0000262900000000, 0.0000051400000000 ] - [ -0.0022296100000000, -0.0006267000000000, -0.0014278600000000 ] - [ -0.0009555100000000, -0.0004917100000000, 0.0001780600000000 ] - [ 0.0001838000000000, 0.0000242300000000, 0.0000096400000000 ] - [ 0.0002141100000000, -0.0000399900000000, 0.0000021900000000 ] - [ -0.0017005300000000, -0.0011947800000000, 0.0008483200000000 ] - [ -0.0008373500000000, -0.0001803500000000, 0.0002945100000000 ] - [ -0.0002653200000000, -0.0001706700000000, -0.0003686900000000 ] - [ -0.0002537700000000, 0.0001849900000000, -0.0001966900000000 ] - [ -0.0121665000000000, -0.0030956800000000, 0.0014598900000000 ] - [ -0.0020070800000000, 0.0002071900000000, 0.0006154600000000 ] - [ 0.0005104000000000, 0.0009219200000000, 0.0001736500000000 ] - [ -0.0069130400000000, -0.0195935300000000, 0.0051173700000000 ] - [ -0.0058432100000000, -0.0060920700000000, 0.0004996100000000 ] - [ -0.0058749300000000, 0.0122073300000000, -0.0043143600000000 ] - [ -0.0001751400000000, -0.0000384900000000, -0.0000527500000000 ] - [ -0.0001322300000000, 0.0000141200000000, -0.0000666400000000 ] - [ -0.0007833100000000, -0.0038605300000000, 0.0104551700000000 ] - [ 0.0008756000000000, 0.0001569900000000, 0.0002949100000000 ] - [ -0.0000257200000000, 0.0001157600000000, -0.0001111500000000 ] - [ -0.0000526100000000, 0.0000487600000000, -0.0001256100000000 ] - [ 0.0000915800000000, 0.0003435500000000, 0.0000150600000000 ] - [ -0.0000111200000000, 0.0000863100000000, -0.0001026300000000 ] - [ -0.0408754900000000, -0.0041411000000000, -0.0142905600000000 ] - [ 0.0000889100000000, -0.0009103000000000, -0.0002863700000000 ] - [ 0.0005742600000000, -0.0002701100000000, 0.0000617700000000 ] - [ 0.0005008200000000, -0.0003448400000000, 0.0000389700000000 ] - [ -0.0001667000000000, -0.0001092900000000, 0.0004481900000000 ] - [ 0.0000232700000000, -0.0002843800000000, 0.0000162000000000 ] - [ -0.0010703700000000, 0.0008374700000000, 0.0013722400000000 ] - [ -0.0006655600000000, -0.0005961300000000, -0.0000581300000000 ] - [ 0.0016406400000000, 0.0003496200000000, -0.0006013400000000 ] - [ 0.0001704600000000, -0.0011406400000000, -0.0012680000000000 ] - [ -0.0004369200000000, 0.0002417400000000, -0.0004981700000000 ] - [ -0.0003740200000000, 0.0001587700000000, -0.0003109100000000 ]- atom: 71 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000838500000000, -0.0001852400000000, -0.0004847300000000 ] - [ 0.0000572000000000, 0.0003054100000000, -0.0006897700000000 ] - [ 0.0000176400000000, -0.0000058600000000, -0.0004941300000000 ] - [ -0.0001123800000000, -0.0002792900000000, -0.0009935100000000 ] - [ -0.0003102000000000, 0.0004474700000000, 0.0000630500000000 ] - [ -0.0002143600000000, -0.0005649500000000, -0.0000384000000000 ] - [ 0.0000616400000000, 0.0000663100000000, -0.0003833200000000 ] - [ 0.0001201300000000, 0.0000272100000000, -0.0001251500000000 ] - [ -0.0007314600000000, 0.0013690200000000, -0.0014721500000000 ] - [ 0.0002722200000000, -0.0010355500000000, 0.0006173600000000 ] - [ 0.0005516800000000, 0.0001256000000000, 0.0018035500000000 ] - [ -0.0045877900000000, -0.0029558900000000, -0.0066250100000000 ] - [ -0.0014674700000000, 0.0010799100000000, 0.0014490400000000 ] - [ 0.0000553700000000, -0.0017897300000000, 0.0004467900000000 ] - [ -0.0016659200000000, 0.0139982300000000, 0.0063002700000000 ] - [ 0.0027594600000000, -0.0058658900000000, 0.0032087700000000 ] - [ -0.0063459900000000, 0.0121943600000000, 0.0086057500000000 ] - [ -0.0002240100000000, -0.0043351200000000, 0.0024616200000000 ] - [ 0.0000169500000000, 0.0001686500000000, -0.0004612100000000 ] - [ -0.0000638000000000, -0.0003244800000000, -0.0002432400000000 ] - [ 0.0011789200000000, -0.0013294000000000, -0.0018202400000000 ] - [ -0.0053795000000000, 0.0028226300000000, 0.0051849000000000 ] - [ -0.0000895500000000, -0.0006800900000000, -0.0008382100000000 ] - [ 0.0001067100000000, 0.0011945700000000, 0.0000221100000000 ] - [ -0.0010009300000000, -0.0012256200000000, 0.0015503900000000 ] - [ -0.0009695000000000, 0.0019396300000000, -0.0013241700000000 ] - [ 0.0002176300000000, 0.0004583700000000, -0.0006534700000000 ] - [ 0.0003045100000000, -0.0000561100000000, -0.0005600700000000 ] - [ -0.0011022000000000, -0.0084613000000000, 0.0042200900000000 ] - [ 0.1084890300000000, 0.1363815200000000, 0.0473163200000000 ] - [ 0.0054017400000000, -0.0003921300000000, -0.0023764000000000 ] - [ -0.0007186600000000, -0.0022113800000000, 0.0002956900000000 ] - [ 0.0003753900000000, 0.0025329800000000, -0.0004993900000000 ] - [ -0.0003641300000000, -0.0011537800000000, -0.0020897500000000 ] - [ 0.0000610500000000, -0.0001656600000000, -0.0008830000000000 ] - [ 0.0001545800000000, 0.0002637200000000, 0.0000391500000000 ] - [ -0.0003570700000000, 0.0000320000000000, -0.0008080600000000 ] - [ -0.0003494600000000, -0.0001538400000000, -0.0005890900000000 ] - [ -0.0079259300000000, 0.0052160200000000, -0.0004782700000000 ] - [ 0.0035360000000000, -0.0042304200000000, 0.0010298000000000 ] - [ -0.0000782100000000, 0.0006638500000000, 0.0000067300000000 ] - [ 0.0000770400000000, 0.0003006600000000, -0.0000456900000000 ] - [ -0.0005380400000000, 0.0002108800000000, -0.0003767600000000 ] - [ -0.0001912100000000, 0.0000887600000000, -0.0000694500000000 ] - [ 0.0005238500000000, 0.0006568600000000, 0.0010048500000000 ] - [ 0.0001712600000000, -0.0006938100000000, -0.0000167800000000 ] - [ -0.0002700400000000, -0.0003956700000000, -0.0005000500000000 ] - [ 0.0007742000000000, -0.0000558500000000, 0.0001930800000000 ] - [ -0.0004414100000000, -0.0005854600000000, 0.0013276600000000 ] - [ 0.0002368200000000, -0.0008422900000000, -0.0002306400000000 ] - [ 0.0005394700000000, -0.0016409300000000, -0.0001497200000000 ] - [ -0.0007212200000000, 0.0018773200000000, 0.0005832500000000 ] - [ 0.0003065600000000, 0.0001278400000000, 0.0001568900000000 ] - [ 0.0001770400000000, 0.0001789600000000, -0.0000463400000000 ] - [ 0.0001126700000000, 0.0006304700000000, -0.0000160700000000 ] - [ 0.0000469600000000, 0.0003786200000000, -0.0001847600000000 ] - [ -0.0005194200000000, -0.0002735000000000, -0.0001928000000000 ] - [ -0.0004695100000000, -0.0003492300000000, 0.0002962700000000 ] - [ -0.0001580700000000, 0.0005137600000000, 0.0005668800000000 ] - [ -0.0001877000000000, 0.0005124200000000, 0.0006399300000000 ] - [ 0.0034822600000000, -0.0012768400000000, 0.0022169600000000 ] - [ -0.0005959600000000, 0.0018235300000000, -0.0017905200000000 ] - [ 0.0000606400000000, 0.0000413600000000, 0.0002461300000000 ] - [ 0.0000475700000000, 0.0003108700000000, 0.0000748500000000 ] - [ 0.0027771100000000, 0.0000763400000000, 0.0003711700000000 ] - [ 0.0010592600000000, 0.0006084800000000, -0.0000790000000000 ] - [ -0.0000827500000000, 0.0000810800000000, 0.0004550600000000 ] - [ -0.0000785100000000, 0.0003605900000000, 0.0005011100000000 ] - [ 0.0001625900000000, 0.0001994300000000, 0.0001063300000000 ] - [ 0.0002817100000000, 0.0000121200000000, -0.0001804700000000 ] - [ -0.1343890700000000, -0.1977577300000000, -0.0880197200000000 ] - [ 0.0007938800000000, 0.0035715700000000, 0.0002739200000000 ] - [ -0.0003464200000000, 0.0019056000000000, -0.0014691800000000 ] - [ 0.0203416900000000, 0.0177203200000000, 0.0309892800000000 ] - [ 0.0004258600000000, 0.0010762800000000, 0.0001250000000000 ] - [ 0.0004503000000000, -0.0010049000000000, 0.0019746000000000 ] - [ -0.0075003000000000, -0.0047130500000000, 0.0093840300000000 ] - [ -0.0003443500000000, 0.0015670000000000, -0.0002473900000000 ] - [ -0.0000211300000000, 0.0004479800000000, 0.0003075500000000 ] - [ -0.0002778100000000, -0.0000732000000000, -0.0000654300000000 ] - [ -0.0007256900000000, 0.0007123000000000, -0.0000791000000000 ] - [ -0.0007395400000000, -0.0009239100000000, -0.0016896300000000 ] - [ 0.0000286700000000, -0.0001213200000000, -0.0006749900000000 ] - [ 0.0025740500000000, 0.0002047500000000, 0.0004277400000000 ] - [ 0.0001552500000000, 0.0000037200000000, -0.0003505500000000 ] - [ 0.0001510600000000, 0.0000675600000000, 0.0009497900000000 ] - [ 0.0000533000000000, 0.0001040600000000, 0.0002597100000000 ] - [ 0.0002526400000000, -0.0000843900000000, 0.0004006600000000 ] - [ -0.0005045900000000, 0.0001473300000000, 0.0009695800000000 ] - [ 0.0002874400000000, 0.0006980700000000, -0.0016015100000000 ] - [ 0.0000997900000000, 0.0001016400000000, 0.0003728400000000 ] - [ 0.0000573600000000, -0.0000176300000000, 0.0001042900000000 ] - [ -0.0007242800000000, -0.0003281000000000, 0.0005307000000000 ] - [ -0.0006137800000000, 0.0004067300000000, 0.0009473500000000 ] - [ -0.0000743600000000, -0.0013316100000000, -0.0001583800000000 ] - [ 0.0001224000000000, 0.0007788900000000, -0.0002112300000000 ] - [ 0.0001722400000000, -0.0001549300000000, 0.0003525000000000 ] - [ 0.0001112000000000, -0.0000123200000000, 0.0002781900000000 ] - [ 0.0013212600000000, 0.0002720500000000, -0.0018126000000000 ] - [ 0.0005920100000000, -0.0009236600000000, -0.0002163200000000 ] - [ 0.0002636100000000, 0.0003650000000000, 0.0008505000000000 ] - [ -0.0003360500000000, -0.0007568300000000, 0.0004111700000000 ] - [ 0.0028155700000000, -0.0025288400000000, -0.0020631700000000 ] - [ -0.0003181000000000, 0.0022800300000000, 0.0005633700000000 ] - [ -0.0039162000000000, 0.0082941800000000, -0.0012543600000000 ] - [ 0.0246238400000000, 0.0160217500000000, -0.0097294200000000 ] - [ 0.0119625500000000, 0.0068744200000000, -0.0013212300000000 ] - [ -0.0062285500000000, 0.0069371200000000, -0.0026166800000000 ] - [ -0.0001158400000000, 0.0001442300000000, 0.0002025300000000 ] - [ -0.0001706000000000, -0.0000305400000000, 0.0002026600000000 ] - [ 0.0009385900000000, -0.0018526800000000, -0.0027945400000000 ] - [ 0.0001075200000000, 0.0011566100000000, -0.0000440900000000 ] - [ 0.0001005100000000, 0.0001422100000000, 0.0002620600000000 ] - [ 0.0001368300000000, 0.0002320900000000, 0.0001595300000000 ] - [ 0.0004209800000000, -0.0004167300000000, 0.0002972100000000 ] - [ 0.0004065600000000, 0.0003599700000000, 0.0005398500000000 ] - [ -0.0058850900000000, -0.0096100000000000, -0.0023928000000000 ] - [ -0.0018136700000000, 0.0034259500000000, -0.0014732800000000 ] - [ 0.0006012200000000, -0.0003844200000000, 0.0004696300000000 ] - [ 0.0003221600000000, -0.0000822700000000, 0.0002143200000000 ] - [ -0.0010592400000000, -0.0007761200000000, 0.0021534300000000 ] - [ 0.0001399800000000, 0.0007940200000000, -0.0006315800000000 ] - [ -0.0009015200000000, -0.0019803400000000, -0.0007472000000000 ] - [ 0.0002812500000000, 0.0011492100000000, 0.0006067800000000 ] - [ -0.0002731600000000, -0.0015662500000000, -0.0006958500000000 ] - [ 0.0001883300000000, 0.0022276800000000, 0.0015862900000000 ] - [ -0.0001979500000000, 0.0002732900000000, 0.0006338400000000 ] - [ -0.0001689900000000, 0.0002056400000000, 0.0000073200000000 ]- atom: 71 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002090400000000, 0.0003059400000000, 0.0001553500000000 ] - [ -0.0001824400000000, -0.0001827800000000, 0.0003609000000000 ] - [ 0.0000572900000000, -0.0001084300000000, 0.0003049700000000 ] - [ 0.0001869800000000, 0.0001656500000000, 0.0008027100000000 ] - [ 0.0003530500000000, -0.0004361200000000, 0.0001225000000000 ] - [ 0.0002582000000000, 0.0005794000000000, 0.0002197600000000 ] - [ 0.0000638500000000, 0.0000631800000000, 0.0007147500000000 ] - [ 0.0000057300000000, 0.0001033400000000, 0.0004570900000000 ] - [ 0.0007779300000000, -0.0013796900000000, 0.0016569700000000 ] - [ -0.0002302600000000, 0.0010266400000000, -0.0004349400000000 ] - [ -0.0006054200000000, -0.0001450100000000, -0.0019905700000000 ] - [ 0.0045381700000000, 0.0029394300000000, 0.0064567500000000 ] - [ 0.0014304200000000, -0.0009974600000000, -0.0012315900000000 ] - [ -0.0001366400000000, 0.0019064200000000, -0.0002639100000000 ] - [ 0.0015083300000000, -0.0152315400000000, -0.0077740300000000 ] - [ -0.0028674300000000, 0.0057342300000000, -0.0035302000000000 ] - [ 0.0062452300000000, -0.0123743300000000, -0.0081385200000000 ] - [ 0.0003563600000000, 0.0042183400000000, -0.0021400500000000 ] - [ -0.0000934000000000, -0.0002886600000000, 0.0006527700000000 ] - [ -0.0000123600000000, 0.0002038400000000, 0.0004347300000000 ] - [ -0.0011158700000000, 0.0014457300000000, 0.0016379000000000 ] - [ 0.0054313600000000, -0.0026788100000000, -0.0053679600000000 ] - [ 0.0000448100000000, 0.0006879800000000, 0.0006589500000000 ] - [ -0.0001515900000000, -0.0011812300000000, -0.0001996600000000 ] - [ 0.0011800000000000, 0.0010329900000000, -0.0013217300000000 ] - [ 0.0011383800000000, -0.0021094100000000, 0.0015574400000000 ] - [ 0.0005432800000000, -0.0003507800000000, 0.0005144900000000 ] - [ 0.0004562700000000, 0.0001627100000000, 0.0004184600000000 ] - [ 0.0003460200000000, 0.0083837800000000, -0.0040966200000000 ] - [ -0.1041046800000000, -0.1343626500000000, -0.0454954700000000 ] - [ -0.0055577900000000, 0.0002087600000000, 0.0021459200000000 ] - [ 0.0005415700000000, 0.0020209900000000, -0.0005157700000000 ] - [ -0.0005497000000000, -0.0023341000000000, 0.0002780600000000 ] - [ 0.0001847100000000, 0.0013395400000000, 0.0018574600000000 ] - [ 0.0001142600000000, 0.0003532000000000, 0.0011115700000000 ] - [ 0.0000213900000000, -0.0000764300000000, 0.0001905000000000 ] - [ -0.0004039800000000, 0.0000742000000000, 0.0009528900000000 ] - [ -0.0004135100000000, 0.0002603300000000, 0.0007349700000000 ] - [ 0.0087300400000000, -0.0053355800000000, 0.0003089800000000 ] - [ -0.0027919200000000, 0.0041355400000000, -0.0011793800000000 ] - [ 0.0001017800000000, 0.0002173400000000, 0.0000991700000000 ] - [ -0.0000534900000000, 0.0005803100000000, 0.0001512700000000 ] - [ 0.0000546900000000, 0.0000898100000000, 0.0002698200000000 ] - [ -0.0002902500000000, 0.0002117100000000, -0.0000367700000000 ] - [ -0.0009939900000000, -0.0009590500000000, -0.0011047100000000 ] - [ -0.0006518600000000, 0.0003950700000000, -0.0000905200000000 ] - [ 0.0007510800000000, 0.0000988800000000, 0.0006089000000000 ] - [ -0.0002923500000000, -0.0002437400000000, -0.0000875200000000 ] - [ 0.0004614500000000, -0.0003065000000000, -0.0012356700000000 ] - [ -0.0002115900000000, -0.0000343600000000, 0.0003360400000000 ] - [ -0.0005604500000000, 0.0007587400000000, 0.0000459400000000 ] - [ 0.0006978900000000, -0.0027548900000000, -0.0006942000000000 ] - [ 0.0001758100000000, 0.0001720600000000, -0.0000491900000000 ] - [ 0.0003054700000000, 0.0001220200000000, 0.0001540800000000 ] - [ -0.0001359200000000, 0.0002511600000000, -0.0000880900000000 ] - [ -0.0000698200000000, 0.0005038200000000, 0.0000794700000000 ] - [ -0.0002840000000000, -0.0001808700000000, 0.0000081300000000 ] - [ -0.0003345200000000, -0.0001087800000000, -0.0004779400000000 ] - [ 0.0000125500000000, 0.0001694200000000, -0.0002145000000000 ] - [ 0.0000386500000000, 0.0001697100000000, -0.0002863300000000 ] - [ -0.0037181200000000, 0.0009633600000000, -0.0017960000000000 ] - [ 0.0003907000000000, -0.0021421900000000, 0.0022240400000000 ] - [ 0.0000868400000000, 0.0006442800000000, -0.0006034000000000 ] - [ 0.0000979100000000, 0.0003723000000000, -0.0004291600000000 ] - [ -0.0028670000000000, -0.0002850700000000, -0.0002295200000000 ] - [ -0.0011349800000000, -0.0008266100000000, 0.0002173500000000 ] - [ -0.0001228200000000, 0.0002358200000000, -0.0000267900000000 ] - [ -0.0001291600000000, -0.0000434700000000, -0.0000726800000000 ] - [ 0.0005349400000000, 0.0000232000000000, -0.0007337700000000 ] - [ 0.0004149300000000, 0.0002103400000000, -0.0004465200000000 ] - [ 0.1293788300000000, 0.1963700600000000, 0.0870371300000000 ] - [ -0.0004794400000000, -0.0035658300000000, -0.0002178700000000 ] - [ 0.0005559100000000, -0.0022305800000000, 0.0010515800000000 ] - [ -0.0198934800000000, -0.0179089200000000, -0.0308895700000000 ] - [ -0.0000116100000000, -0.0006726400000000, -0.0001473400000000 ] - [ -0.0000344700000000, 0.0014002000000000, -0.0019898200000000 ] - [ 0.0067929800000000, 0.0045331200000000, -0.0087457300000000 ] - [ -0.0003532700000000, -0.0017848800000000, 0.0008683200000000 ] - [ -0.0002939500000000, -0.0001596600000000, -0.0005301800000000 ] - [ -0.0000383600000000, 0.0003607400000000, -0.0001571900000000 ] - [ -0.0000675300000000, -0.0002325300000000, -0.0000715300000000 ] - [ -0.0000645100000000, 0.0013772000000000, 0.0015062400000000 ] - [ -0.0003451400000000, -0.0001570400000000, 0.0004496400000000 ] - [ -0.0028802400000000, -0.0004969300000000, -0.0006487700000000 ] - [ -0.0002810400000000, 0.0002174200000000, 0.0009785200000000 ] - [ -0.0002760300000000, 0.0001485100000000, -0.0003244500000000 ] - [ -0.0001375100000000, 0.0001123800000000, -0.0001258000000000 ] - [ -0.0003333800000000, 0.0003003200000000, -0.0002637500000000 ] - [ 0.0009155400000000, -0.0005420800000000, -0.0009954100000000 ] - [ 0.0001268400000000, -0.0010974000000000, 0.0015676500000000 ] - [ 0.0001058600000000, 0.0002175800000000, -0.0008063300000000 ] - [ 0.0001483300000000, 0.0003341400000000, -0.0005341700000000 ] - [ 0.0000255800000000, 0.0005505100000000, 0.0000947800000000 ] - [ -0.0000829300000000, -0.0001834700000000, -0.0003208400000000 ] - [ -0.0003423000000000, 0.0009239700000000, 0.0001720100000000 ] - [ -0.0005352500000000, -0.0011757300000000, 0.0002370400000000 ] - [ 0.0001505800000000, 0.0001454600000000, -0.0003004500000000 ] - [ 0.0002123100000000, 0.0000013900000000, -0.0002258900000000 ] - [ -0.0006237800000000, -0.0004861900000000, 0.0011903100000000 ] - [ 0.0001092700000000, 0.0006957800000000, -0.0004123400000000 ] - [ -0.0003870200000000, -0.0005801300000000, -0.0002238100000000 ] - [ 0.0002108600000000, 0.0005410400000000, 0.0002157700000000 ] - [ -0.0026902400000000, 0.0018842600000000, 0.0017413500000000 ] - [ 0.0004656300000000, -0.0029588400000000, -0.0009127600000000 ] - [ 0.0038330900000000, -0.0090604600000000, 0.0016044300000000 ] - [ -0.0243081900000000, -0.0164195200000000, 0.0098899100000000 ] - [ -0.0123911700000000, -0.0069488400000000, 0.0012808900000000 ] - [ 0.0058602000000000, -0.0068873700000000, 0.0025622500000000 ] - [ -0.0002085900000000, -0.0001566500000000, -0.0002577900000000 ] - [ -0.0001540700000000, 0.0000153100000000, -0.0002595500000000 ] - [ -0.0001272900000000, 0.0023502600000000, 0.0029463000000000 ] - [ 0.0006919500000000, -0.0007022600000000, 0.0002270900000000 ] - [ -0.0000157100000000, 0.0000747200000000, -0.0003980800000000 ] - [ -0.0000518900000000, -0.0000159000000000, -0.0002964600000000 ] - [ -0.0001054400000000, 0.0007036600000000, -0.0000775500000000 ] - [ -0.0000873600000000, -0.0000704100000000, -0.0003185900000000 ] - [ 0.0057723100000000, 0.0093520400000000, 0.0022340600000000 ] - [ 0.0019074200000000, -0.0036531700000000, 0.0013471300000000 ] - [ 0.0002020400000000, -0.0000701100000000, -0.0002871600000000 ] - [ 0.0004795800000000, -0.0003723100000000, -0.0000321700000000 ] - [ 0.0011825500000000, 0.0009910000000000, -0.0027826800000000 ] - [ -0.0000157200000000, -0.0005740300000000, 0.0000004600000000 ] - [ 0.0012184900000000, 0.0016917500000000, 0.0009688200000000 ] - [ 0.0000360000000000, -0.0014359000000000, -0.0003883400000000 ] - [ 0.0003938300000000, 0.0013460800000000, 0.0000615700000000 ] - [ -0.0000619100000000, -0.0024420600000000, -0.0022101800000000 ] - [ -0.0002155000000000, 0.0001267400000000, -0.0006115800000000 ] - [ -0.0002436600000000, 0.0001932500000000, 0.0000135000000000 ]- atom: 71 displacement: [ -0.0009337289454915, 0.0000000000000000, 0.0099563120811047 ] forces: - [ 0.0000810400000000, 0.0000808200000000, -0.0013689100000000 ] - [ 0.0001611200000000, 0.0000634200000000, -0.0016878100000000 ] - [ 0.0000307200000000, 0.0002172000000000, -0.0013945100000000 ] - [ -0.0000966600000000, -0.0003253700000000, -0.0017400900000000 ] - [ -0.0000989800000000, 0.0001474600000000, -0.0007864900000000 ] - [ -0.0002475300000000, -0.0004740100000000, -0.0005279200000000 ] - [ 0.0000257000000000, -0.0001174700000000, -0.0011930900000000 ] - [ 0.0001071700000000, 0.0000783100000000, -0.0010107400000000 ] - [ 0.0002054500000000, 0.0002126300000000, -0.0009698300000000 ] - [ 0.0003393200000000, -0.0002842400000000, 0.0002744600000000 ] - [ -0.0004931200000000, 0.0013179000000000, 0.0005453300000000 ] - [ -0.0043946800000000, -0.0024334500000000, -0.0060199900000000 ] - [ -0.0004510700000000, 0.0006982900000000, 0.0009583200000000 ] - [ -0.0000380300000000, -0.0009811400000000, 0.0020233000000000 ] - [ -0.0022415900000000, 0.0095418100000000, 0.0118661100000000 ] - [ -0.0020136900000000, 0.0024271700000000, 0.0017318900000000 ] - [ -0.0100048900000000, 0.0068575600000000, 0.0151404400000000 ] - [ 0.0000055000000000, -0.0008361800000000, 0.0026738500000000 ] - [ 0.0001273500000000, -0.0001151900000000, -0.0012345000000000 ] - [ 0.0000027300000000, -0.0001942500000000, -0.0009831700000000 ] - [ 0.0009248200000000, -0.0006812300000000, 0.0008172200000000 ] - [ 0.0024669600000000, 0.0005332500000000, 0.0003693700000000 ] - [ -0.0000027800000000, -0.0005087800000000, -0.0015761700000000 ] - [ 0.0002883200000000, 0.0012109400000000, -0.0014106600000000 ] - [ 0.0005088500000000, 0.0000929800000000, 0.0002148000000000 ] - [ -0.0000054500000000, 0.0003214800000000, -0.0012489800000000 ] - [ 0.0002971800000000, 0.0003254500000000, -0.0021072200000000 ] - [ 0.0003101400000000, 0.0002225100000000, -0.0017389700000000 ] - [ -0.0012892100000000, -0.0019106100000000, 0.0056437500000000 ] - [ 0.0352103700000000, 0.0360273700000000, 0.0709396900000000 ] - [ 0.0085546700000000, -0.0020152400000000, -0.0042299400000000 ] - [ 0.0003932000000000, 0.0005839600000000, -0.0007213200000000 ] - [ -0.0003291700000000, 0.0009628400000000, -0.0031195400000000 ] - [ -0.0002201700000000, -0.0004582700000000, -0.0025381300000000 ] - [ 0.0002994200000000, -0.0003898600000000, -0.0010179200000000 ] - [ 0.0001311200000000, 0.0006572000000000, -0.0013017100000000 ] - [ -0.0003679200000000, -0.0001353200000000, -0.0022381900000000 ] - [ -0.0002519700000000, -0.0001295500000000, -0.0021550100000000 ] - [ -0.0031072000000000, 0.0021764800000000, 0.0061051500000000 ] - [ 0.0019876800000000, -0.0000798500000000, 0.0020789900000000 ] - [ -0.0001035000000000, 0.0006155800000000, -0.0001982500000000 ] - [ 0.0000089400000000, 0.0003938900000000, -0.0001064000000000 ] - [ -0.0008869900000000, 0.0001232900000000, -0.0007722300000000 ] - [ -0.0004307600000000, 0.0001461800000000, -0.0002974500000000 ] - [ -0.0017321400000000, 0.0005512400000000, -0.0021305700000000 ] - [ 0.0001791500000000, -0.0005735600000000, -0.0000340400000000 ] - [ -0.0001736800000000, -0.0002609600000000, -0.0002272600000000 ] - [ -0.0007156300000000, -0.0000558000000000, -0.0003806900000000 ] - [ 0.0015620700000000, 0.0019861700000000, 0.0012161400000000 ] - [ 0.0002016300000000, -0.0009440400000000, 0.0000772200000000 ] - [ 0.0001613200000000, -0.0007264400000000, 0.0000440200000000 ] - [ -0.0006530700000000, 0.0013677300000000, -0.0020262400000000 ] - [ 0.0003021400000000, 0.0002717900000000, -0.0001710000000000 ] - [ 0.0002044600000000, 0.0000842000000000, -0.0001915600000000 ] - [ 0.0000846500000000, 0.0006834100000000, -0.0004041400000000 ] - [ 0.0000005300000000, 0.0003353200000000, -0.0002712700000000 ] - [ -0.0004947500000000, -0.0005516700000000, 0.0005252000000000 ] - [ -0.0004598100000000, -0.0001479100000000, 0.0006155100000000 ] - [ -0.0002419400000000, 0.0007968900000000, 0.0013348900000000 ] - [ -0.0002839600000000, 0.0008807700000000, 0.0014205800000000 ] - [ 0.0035667800000000, 0.0010567400000000, -0.0008799000000000 ] - [ -0.0001740900000000, 0.0005398500000000, -0.0014449400000000 ] - [ -0.0000331200000000, -0.0001494200000000, 0.0009397200000000 ] - [ -0.0000326600000000, -0.0000301200000000, 0.0007300300000000 ] - [ 0.0004411600000000, -0.0005157100000000, -0.0013688100000000 ] - [ -0.0013646900000000, -0.0005833000000000, -0.0009814100000000 ] - [ -0.0001431100000000, 0.0004471000000000, 0.0014189900000000 ] - [ -0.0001109200000000, 0.0004497600000000, 0.0011768400000000 ] - [ 0.0001196300000000, 0.0002145200000000, 0.0003062100000000 ] - [ 0.0001529200000000, -0.0001045200000000, 0.0004318500000000 ] - [ -0.0240255400000000, -0.0746118300000000, -0.1173224900000000 ] - [ 0.0004414600000000, 0.0001711400000000, -0.0014519300000000 ] - [ 0.0004785600000000, -0.0011667100000000, -0.0025969800000000 ] - [ 0.0220054400000000, 0.0300860200000000, 0.0221894500000000 ] - [ 0.0004141700000000, 0.0005785200000000, 0.0007038300000000 ] - [ 0.0005818000000000, -0.0001247200000000, 0.0020701000000000 ] - [ -0.0123988900000000, 0.0003531300000000, 0.0174693500000000 ] - [ -0.0006708700000000, -0.0003447800000000, 0.0004684300000000 ] - [ -0.0002181900000000, 0.0004775500000000, 0.0005418400000000 ] - [ -0.0003829100000000, 0.0001026300000000, 0.0005747800000000 ] - [ -0.0002612300000000, 0.0004975800000000, -0.0006303000000000 ] - [ 0.0004782000000000, -0.0017308500000000, 0.0007923400000000 ] - [ -0.0001620900000000, -0.0002541200000000, -0.0005197500000000 ] - [ 0.0019974300000000, 0.0005929600000000, -0.0001842800000000 ] - [ -0.0001261900000000, -0.0001692500000000, 0.0003601500000000 ] - [ 0.0000770300000000, 0.0003141700000000, 0.0011586600000000 ] - [ 0.0002243600000000, -0.0000739400000000, 0.0007201500000000 ] - [ 0.0003125000000000, -0.0000926500000000, 0.0008680900000000 ] - [ -0.0016258400000000, 0.0020185600000000, 0.0010048500000000 ] - [ 0.0000194700000000, -0.0007338100000000, 0.0003219300000000 ] - [ 0.0000712700000000, -0.0001022200000000, 0.0012223600000000 ] - [ 0.0000509800000000, -0.0003800200000000, 0.0012255000000000 ] - [ -0.0009154100000000, -0.0000221500000000, 0.0016314400000000 ] - [ -0.0008249600000000, 0.0002597900000000, 0.0013537900000000 ] - [ -0.0004715500000000, -0.0005301800000000, -0.0000551000000000 ] - [ -0.0003089300000000, -0.0002228900000000, -0.0001231000000000 ] - [ 0.0001602600000000, -0.0003194000000000, 0.0009563300000000 ] - [ 0.0001716100000000, -0.0002497500000000, 0.0008263300000000 ] - [ -0.0001587900000000, -0.0012699800000000, -0.0013381000000000 ] - [ 0.0004211400000000, -0.0000413800000000, -0.0009448700000000 ] - [ 0.0001130000000000, 0.0000800400000000, 0.0009083000000000 ] - [ 0.0002812100000000, -0.0007000000000000, 0.0013316200000000 ] - [ -0.0007643300000000, -0.0029391700000000, -0.0035877100000000 ] - [ 0.0001545300000000, -0.0005629600000000, -0.0014353000000000 ] - [ -0.0011992800000000, 0.0036300000000000, -0.0023378000000000 ] - [ -0.0102284600000000, -0.0143858500000000, -0.0058391900000000 ] - [ 0.0035656500000000, 0.0019955500000000, -0.0030691300000000 ] - [ -0.0011954700000000, 0.0024212900000000, -0.0035195900000000 ] - [ -0.0001169400000000, 0.0002285100000000, 0.0006806200000000 ] - [ -0.0001046200000000, 0.0002327500000000, 0.0007786800000000 ] - [ -0.0038472900000000, -0.0045214100000000, 0.0086326600000000 ] - [ 0.0000976600000000, 0.0008507300000000, -0.0003504500000000 ] - [ 0.0002523900000000, 0.0003248200000000, 0.0007518800000000 ] - [ 0.0002295500000000, 0.0002916600000000, 0.0006221700000000 ] - [ 0.0008514600000000, -0.0004732400000000, 0.0012154500000000 ] - [ 0.0004840500000000, 0.0001488500000000, 0.0008628800000000 ] - [ 0.0029424900000000, 0.0008288200000000, -0.0100747900000000 ] - [ -0.0006541200000000, 0.0008688400000000, -0.0019329900000000 ] - [ 0.0008835200000000, -0.0000795200000000, 0.0010346000000000 ] - [ 0.0005421800000000, -0.0001136200000000, 0.0005757100000000 ] - [ -0.0016269900000000, -0.0010127200000000, 0.0035344900000000 ] - [ 0.0001090800000000, 0.0000534400000000, 0.0001446000000000 ] - [ -0.0024096400000000, -0.0008287900000000, 0.0000401100000000 ] - [ -0.0002724500000000, -0.0000663500000000, 0.0000726100000000 ] - [ 0.0012264700000000, -0.0008439700000000, 0.0012588900000000 ] - [ 0.0001480500000000, 0.0020854000000000, 0.0016976300000000 ] - [ -0.0003670200000000, 0.0005326700000000, 0.0008370500000000 ] - [ -0.0002042100000000, -0.0000452000000000, 0.0004612700000000 ]- atom: 71 displacement: [ 0.0009337289454915, 0.0000000000000000, -0.0099563120811047 ] forces: - [ -0.0001975500000000, 0.0000270600000000, 0.0010447500000000 ] - [ -0.0002776100000000, 0.0000421100000000, 0.0013632400000000 ] - [ 0.0000443700000000, -0.0003294600000000, 0.0011847800000000 ] - [ 0.0001713000000000, 0.0002118000000000, 0.0015292200000000 ] - [ 0.0001392900000000, -0.0001367500000000, 0.0009584100000000 ] - [ 0.0002859400000000, 0.0004882700000000, 0.0006983700000000 ] - [ 0.0000921900000000, 0.0002336100000000, 0.0015199200000000 ] - [ 0.0000109400000000, 0.0000373700000000, 0.0013359100000000 ] - [ -0.0001639500000000, -0.0002241700000000, 0.0011408300000000 ] - [ -0.0003009500000000, 0.0002791200000000, -0.0001116300000000 ] - [ 0.0004470800000000, -0.0013305600000000, -0.0007082000000000 ] - [ 0.0043535900000000, 0.0024329800000000, 0.0058584300000000 ] - [ 0.0004224100000000, -0.0006174600000000, -0.0007163500000000 ] - [ -0.0000368400000000, 0.0010974700000000, -0.0018057600000000 ] - [ 0.0020785000000000, -0.0104314700000000, -0.0125115200000000 ] - [ 0.0018691900000000, -0.0025194600000000, -0.0020776700000000 ] - [ 0.0094982200000000, -0.0066393600000000, -0.0145978800000000 ] - [ 0.0001123500000000, 0.0007378600000000, -0.0023512600000000 ] - [ -0.0002046700000000, -0.0000048600000000, 0.0014472200000000 ] - [ -0.0000782200000000, 0.0000755500000000, 0.0011944200000000 ] - [ -0.0008532600000000, 0.0008084300000000, -0.0010341900000000 ] - [ -0.0023549200000000, -0.0004269900000000, -0.0006281300000000 ] - [ -0.0000346200000000, 0.0005244800000000, 0.0014121600000000 ] - [ -0.0003301500000000, -0.0012111500000000, 0.0012387200000000 ] - [ -0.0003638500000000, -0.0003041200000000, 0.0000089700000000 ] - [ 0.0001356400000000, -0.0005263800000000, 0.0014818100000000 ] - [ 0.0004727200000000, -0.0002394500000000, 0.0019584900000000 ] - [ 0.0004564300000000, -0.0001299600000000, 0.0015881900000000 ] - [ 0.0005189400000000, 0.0018435500000000, -0.0054906000000000 ] - [ -0.0363739000000000, -0.0365130800000000, -0.0715577700000000 ] - [ -0.0087331300000000, 0.0018005500000000, 0.0040000800000000 ] - [ -0.0005185300000000, -0.0007846300000000, 0.0004850600000000 ] - [ 0.0001954300000000, -0.0007493200000000, 0.0028980200000000 ] - [ 0.0000833100000000, 0.0006711300000000, 0.0023083900000000 ] - [ -0.0001722800000000, 0.0006051000000000, 0.0012415700000000 ] - [ 0.0000000100000000, -0.0004482100000000, 0.0015248900000000 ] - [ -0.0004002800000000, 0.0002233100000000, 0.0023908200000000 ] - [ -0.0005166900000000, 0.0002165800000000, 0.0023053900000000 ] - [ 0.0039200900000000, -0.0022703500000000, -0.0062816100000000 ] - [ -0.0012224900000000, 0.0000148200000000, -0.0022358800000000 ] - [ 0.0001273700000000, 0.0002478800000000, 0.0003170100000000 ] - [ 0.0000127000000000, 0.0004742400000000, 0.0002242400000000 ] - [ 0.0003915800000000, 0.0001734900000000, 0.0006740600000000 ] - [ -0.0000659800000000, 0.0001511900000000, 0.0001954900000000 ] - [ 0.0012233000000000, -0.0008467000000000, 0.0020171200000000 ] - [ -0.0006747900000000, 0.0002755700000000, -0.0000677600000000 ] - [ 0.0006697600000000, -0.0000360700000000, 0.0003303800000000 ] - [ 0.0012161200000000, -0.0002413000000000, 0.0004854600000000 ] - [ -0.0015329200000000, -0.0028424600000000, -0.0010880300000000 ] - [ -0.0001773800000000, 0.0000798200000000, 0.0000416200000000 ] - [ -0.0001866500000000, -0.0001364400000000, -0.0001625600000000 ] - [ 0.0006318000000000, -0.0022508400000000, 0.0019230900000000 ] - [ 0.0001957000000000, 0.0000264200000000, 0.0002728400000000 ] - [ 0.0002930600000000, 0.0002127000000000, 0.0002946800000000 ] - [ -0.0001072700000000, 0.0001838400000000, 0.0002863800000000 ] - [ -0.0000225800000000, 0.0005319000000000, 0.0001549900000000 ] - [ -0.0003504300000000, 0.0001680800000000, -0.0007059300000000 ] - [ -0.0003856400000000, -0.0002351800000000, -0.0007976300000000 ] - [ 0.0000940600000000, -0.0000951900000000, -0.0009631400000000 ] - [ 0.0001355600000000, -0.0001740000000000, -0.0010464100000000 ] - [ -0.0038007100000000, -0.0013825300000000, 0.0013201800000000 ] - [ -0.0000232600000000, -0.0008633800000000, 0.0018961100000000 ] - [ 0.0001833200000000, 0.0008537000000000, -0.0013142200000000 ] - [ 0.0001789800000000, 0.0007235000000000, -0.0010961600000000 ] - [ -0.0005411300000000, 0.0002901800000000, 0.0015243800000000 ] - [ 0.0012532600000000, 0.0003456900000000, 0.0011363100000000 ] - [ -0.0000508100000000, -0.0001322300000000, -0.0009794500000000 ] - [ -0.0000851800000000, -0.0001355000000000, -0.0007405500000000 ] - [ 0.0006594000000000, -0.0000160800000000, -0.0009919100000000 ] - [ 0.0006230000000000, 0.0003057900000000, -0.0011154000000000 ] - [ 0.0251993900000000, 0.0750467900000000, 0.1180566500000000 ] - [ -0.0001467500000000, -0.0001907500000000, 0.0014942000000000 ] - [ -0.0002724100000000, 0.0008472300000000, 0.0021535000000000 ] - [ -0.0215375300000000, -0.0298437600000000, -0.0223117200000000 ] - [ 0.0000020400000000, -0.0001824900000000, -0.0007141700000000 ] - [ -0.0001653900000000, 0.0005194300000000, -0.0020795100000000 ] - [ 0.0117938800000000, -0.0005696700000000, -0.0171058300000000 ] - [ -0.0001053300000000, 0.0001403500000000, 0.0002228500000000 ] - [ -0.0000996400000000, -0.0001876500000000, -0.0007701100000000 ] - [ 0.0000667000000000, 0.0001899100000000, -0.0008024800000000 ] - [ -0.0005779400000000, -0.0001152300000000, 0.0004634400000000 ] - [ -0.0013217100000000, 0.0021326700000000, -0.0009806400000000 ] - [ -0.0001564800000000, -0.0000300700000000, 0.0002881200000000 ] - [ -0.0023014100000000, -0.0008884400000000, -0.0000432700000000 ] - [ 0.0000166800000000, 0.0003916800000000, 0.0003640000000000 ] - [ -0.0001848100000000, -0.0000925800000000, -0.0004403400000000 ] - [ -0.0003140400000000, 0.0002983200000000, -0.0005686600000000 ] - [ -0.0004039900000000, 0.0003204400000000, -0.0007125700000000 ] - [ 0.0020622900000000, -0.0024322000000000, -0.0010200100000000 ] - [ 0.0003960800000000, 0.0003331300000000, -0.0003181500000000 ] - [ 0.0001209900000000, 0.0004154200000000, -0.0016621600000000 ] - [ 0.0001384900000000, 0.0006914900000000, -0.0016572100000000 ] - [ 0.0001413700000000, 0.0002227500000000, -0.0009465300000000 ] - [ 0.0000508900000000, -0.0000613400000000, -0.0006718000000000 ] - [ 0.0000487900000000, 0.0001340300000000, 0.0000537200000000 ] - [ -0.0001092400000000, -0.0001737200000000, 0.0001319700000000 ] - [ 0.0001445800000000, 0.0003184800000000, -0.0009089700000000 ] - [ 0.0001330300000000, 0.0002499500000000, -0.0007812900000000 ] - [ 0.0009222800000000, 0.0010662300000000, 0.0006578400000000 ] - [ 0.0003630100000000, -0.0001660700000000, 0.0002454300000000 ] - [ -0.0002186100000000, -0.0003040700000000, -0.0001796200000000 ] - [ -0.0003877000000000, 0.0004791300000000, -0.0006039500000000 ] - [ 0.0008830400000000, 0.0022769300000000, 0.0032465000000000 ] - [ -0.0000072200000000, -0.0001451100000000, 0.0010611300000000 ] - [ 0.0010682700000000, -0.0043553200000000, 0.0027174300000000 ] - [ 0.0099981400000000, 0.0137012300000000, 0.0062880300000000 ] - [ -0.0038973500000000, -0.0020244700000000, 0.0030301400000000 ] - [ 0.0009137100000000, -0.0024387800000000, 0.0034757200000000 ] - [ -0.0001890200000000, -0.0002303200000000, -0.0007298800000000 ] - [ -0.0002039100000000, -0.0002374200000000, -0.0008288100000000 ] - [ 0.0046201400000000, 0.0048396000000000, -0.0083033500000000 ] - [ 0.0007460000000000, -0.0004723100000000, 0.0005331700000000 ] - [ -0.0001559600000000, -0.0000965400000000, -0.0009070300000000 ] - [ -0.0001346300000000, -0.0000652000000000, -0.0007776200000000 ] - [ -0.0005320500000000, 0.0007630500000000, -0.0009862200000000 ] - [ -0.0001614400000000, 0.0001401600000000, -0.0006336500000000 ] - [ -0.0029905300000000, -0.0010848100000000, 0.0098487700000000 ] - [ 0.0007503100000000, -0.0011019500000000, 0.0017807400000000 ] - [ -0.0000388600000000, -0.0002993000000000, -0.0008546000000000 ] - [ 0.0003029000000000, -0.0002696300000000, -0.0003918000000000 ] - [ 0.0017534500000000, 0.0012475100000000, -0.0042832600000000 ] - [ -0.0000018500000000, 0.0001633500000000, -0.0008562700000000 ] - [ 0.0027464300000000, 0.0005516500000000, 0.0001962600000000 ] - [ 0.0005853900000000, -0.0002294500000000, 0.0001548000000000 ] - [ -0.0011142200000000, 0.0006221500000000, -0.0019874400000000 ] - [ -0.0000406400000000, -0.0022993300000000, -0.0024060000000000 ] - [ -0.0000460500000000, -0.0001419000000000, -0.0008247900000000 ] - [ -0.0002098700000000, 0.0004367600000000, -0.0004495000000000 ]- atom: 75 displacement: [ 0.0099999541101204, 0.0000000000000000, -0.0000302951396548 ] forces: - [ -0.0038492500000000, 0.0027498900000000, 0.0046868800000000 ] - [ -0.0002511600000000, -0.0008494500000000, 0.0006182900000000 ] - [ 0.0049002400000000, 0.0012120400000000, 0.0032346300000000 ] - [ 0.0021521900000000, 0.0016552400000000, -0.0013027800000000 ] - [ -0.0010814100000000, -0.0015651900000000, -0.0000269600000000 ] - [ -0.0033067400000000, 0.0027710300000000, -0.0004231100000000 ] - [ -0.0003688500000000, -0.0000687900000000, 0.0000731700000000 ] - [ -0.0008964600000000, 0.0000940400000000, 0.0003310400000000 ] - [ 0.0000662400000000, -0.0000650900000000, 0.0001223300000000 ] - [ 0.0000549200000000, 0.0000258200000000, 0.0000873700000000 ] - [ 0.0033353600000000, -0.0010129000000000, 0.0033847800000000 ] - [ 0.0016688600000000, -0.0030083600000000, -0.0004138700000000 ] - [ 0.0000304400000000, -0.0011938100000000, 0.0008877900000000 ] - [ 0.0006281600000000, 0.0011493200000000, 0.0013226800000000 ] - [ -0.0002186500000000, -0.0000660200000000, -0.0002150400000000 ] - [ -0.0001288200000000, -0.0001625300000000, -0.0002878100000000 ] - [ -0.0002749300000000, -0.0002783900000000, 0.0000683500000000 ] - [ -0.0008783400000000, 0.0004979300000000, 0.0000753500000000 ] - [ 0.0001696500000000, -0.0001661300000000, -0.0001041500000000 ] - [ 0.0005090400000000, 0.0002971900000000, -0.0003268500000000 ] - [ 0.0002652300000000, 0.0001207000000000, -0.0000223600000000 ] - [ 0.0001366100000000, 0.0000256400000000, -0.0000599400000000 ] - [ 0.0001622900000000, 0.0000088200000000, -0.0000118400000000 ] - [ 0.0001334700000000, -0.0000848100000000, 0.0000972500000000 ] - [ -0.0041374200000000, -0.0015654700000000, 0.0022216100000000 ] - [ -0.0001863600000000, -0.0008297100000000, 0.0009004200000000 ] - [ -0.0008363800000000, -0.0001976900000000, -0.0003528700000000 ] - [ -0.0047346400000000, 0.0025395000000000, -0.0006720600000000 ] - [ 0.0006971400000000, -0.0006262000000000, -0.0010045800000000 ] - [ 0.0002413300000000, -0.0006121800000000, -0.0006284100000000 ] - [ 0.0000069300000000, -0.0001045800000000, -0.0000212200000000 ] - [ 0.0000205000000000, -0.0000718300000000, -0.0000353600000000 ] - [ 0.0046233300000000, -0.0016561200000000, 0.0015375300000000 ] - [ 0.0654982000000000, 0.0542646100000000, -0.0049976100000000 ] - [ 0.0001304900000000, 0.0000375700000000, -0.0001110600000000 ] - [ 0.0001290400000000, 0.0001594400000000, 0.0001084000000000 ] - [ -0.0000991400000000, 0.0011353900000000, 0.0008543200000000 ] - [ 0.0010601600000000, -0.0007978500000000, 0.0019390200000000 ] - [ 0.0001239200000000, 0.0000605600000000, 0.0003155900000000 ] - [ 0.0002251800000000, 0.0002194900000000, 0.0000989000000000 ] - [ -0.0000302600000000, 0.0004628700000000, 0.0000430700000000 ] - [ -0.0000968300000000, 0.0005466800000000, -0.0000009300000000 ] - [ -0.0002474600000000, 0.0001572400000000, -0.0000292800000000 ] - [ -0.0002355600000000, 0.0001782700000000, 0.0000260600000000 ] - [ -0.0001357200000000, -0.0000856000000000, -0.0001236000000000 ] - [ -0.0012941000000000, -0.0004870500000000, -0.0010532200000000 ] - [ 0.0001740300000000, -0.0001474100000000, 0.0000429600000000 ] - [ 0.0001927000000000, -0.0001579200000000, 0.0000459700000000 ] - [ -0.0004382900000000, -0.0008122500000000, -0.0000575300000000 ] - [ -0.0003572800000000, -0.0007877000000000, -0.0000129600000000 ] - [ -0.0000267200000000, -0.0004399700000000, -0.0000603300000000 ] - [ -0.0000143300000000, -0.0004666200000000, -0.0000489400000000 ] - [ -0.0019911400000000, -0.0001248600000000, -0.0014356100000000 ] - [ -0.0009489600000000, 0.0004760100000000, -0.0003322900000000 ] - [ 0.0002037100000000, 0.0016868800000000, 0.0004291100000000 ] - [ -0.0033874200000000, -0.0041573700000000, -0.0011619000000000 ] - [ 0.0041808700000000, -0.0016074200000000, -0.0003677200000000 ] - [ 0.0019037100000000, 0.0028021100000000, 0.0002597300000000 ] - [ -0.0003768100000000, -0.0010361600000000, -0.0014857100000000 ] - [ -0.0010413500000000, 0.0008455900000000, -0.0002512200000000 ] - [ -0.0000083700000000, -0.0001279400000000, 0.0000765400000000 ] - [ -0.0000250500000000, -0.0001938800000000, 0.0001393700000000 ] - [ 0.0003525400000000, 0.0003732400000000, -0.0000110700000000 ] - [ 0.0007939100000000, -0.0007084000000000, 0.0005107700000000 ] - [ -0.0000207800000000, -0.0001346200000000, -0.0001272000000000 ] - [ -0.0000564600000000, -0.0001502000000000, 0.0000235800000000 ] - [ 0.0005866900000000, 0.0005189300000000, 0.0005357200000000 ] - [ 0.0018016300000000, -0.0001915700000000, 0.0004904000000000 ] - [ 0.0004178400000000, 0.0001109000000000, -0.0001579600000000 ] - [ 0.0003897900000000, 0.0000750700000000, -0.0002726100000000 ] - [ 0.0002283300000000, 0.0002162000000000, 0.0002332500000000 ] - [ 0.0001500800000000, 0.0002426200000000, 0.0003998200000000 ] - [ -0.0002564400000000, 0.0004687300000000, 0.0022464600000000 ] - [ -0.0000325400000000, 0.0006012700000000, 0.0005885100000000 ] - [ -0.0774627900000000, -0.0761245400000000, -0.0048874900000000 ] - [ -0.0010334100000000, 0.0011130000000000, -0.0014475600000000 ] - [ -0.0003846600000000, -0.0001177700000000, 0.0003319200000000 ] - [ -0.0003860000000000, -0.0001210500000000, 0.0003474300000000 ] - [ -0.0002794100000000, 0.0001666500000000, 0.0000360200000000 ] - [ -0.0002724400000000, 0.0001787400000000, -0.0001061600000000 ] - [ -0.0003290400000000, 0.0002245700000000, -0.0000870200000000 ] - [ -0.0003608100000000, 0.0002492100000000, -0.0000966200000000 ] - [ 0.0024616300000000, 0.0016000500000000, -0.0025751300000000 ] - [ -0.0011089300000000, -0.0000565300000000, -0.0001007800000000 ] - [ 0.0032232000000000, 0.0012293100000000, 0.0000444600000000 ] - [ 0.0007486000000000, -0.0003313000000000, 0.0002122600000000 ] - [ 0.0051070600000000, -0.0016329000000000, 0.0042569800000000 ] - [ 0.0006152300000000, -0.0003798700000000, 0.0005356000000000 ] - [ 0.0001482400000000, -0.0001864100000000, -0.0000411500000000 ] - [ 0.0001593400000000, -0.0001976200000000, -0.0000709800000000 ] - [ 0.0001434200000000, 0.0000610900000000, -0.0005779500000000 ] - [ -0.0000791900000000, 0.0004892300000000, -0.0007539800000000 ] - [ -0.0019557800000000, -0.0001328800000000, 0.0005786600000000 ] - [ 0.0091737600000000, 0.0254353400000000, -0.0104487100000000 ] - [ -0.0000289900000000, 0.0006515000000000, -0.0002821400000000 ] - [ 0.0029413700000000, -0.0011044700000000, -0.0026211100000000 ] - [ 0.0002898300000000, -0.0000833000000000, -0.0001564000000000 ] - [ 0.0005445900000000, 0.0007093200000000, -0.0017940400000000 ] - [ 0.0022982100000000, 0.0000324800000000, -0.0012573100000000 ] - [ 0.0006958200000000, 0.0001847700000000, -0.0004817900000000 ] - [ -0.0000458200000000, -0.0001356200000000, 0.0003828300000000 ] - [ -0.0000534600000000, -0.0000944200000000, 0.0003094600000000 ] - [ 0.0003852700000000, -0.0002438400000000, -0.0004870600000000 ] - [ 0.0003924900000000, -0.0005785500000000, -0.0004929300000000 ] - [ -0.0003746200000000, -0.0004311900000000, 0.0005788400000000 ] - [ -0.0002223900000000, -0.0002361200000000, 0.0002990200000000 ] - [ 0.0000844700000000, -0.0000101000000000, -0.0001659500000000 ] - [ 0.0000094000000000, -0.0000373000000000, -0.0000049400000000 ] - [ 0.0018738700000000, 0.0001303600000000, -0.0000946700000000 ] - [ 0.0006024300000000, 0.0003230200000000, -0.0000587500000000 ] - [ 0.0006437200000000, 0.0004791600000000, 0.0002082300000000 ] - [ 0.0014283900000000, 0.0002928000000000, 0.0008512800000000 ] - [ -0.0005625900000000, -0.0001850200000000, -0.0001110100000000 ] - [ -0.0009119700000000, -0.0001011600000000, -0.0003340000000000 ] - [ -0.0016294400000000, 0.0059888200000000, -0.0004996800000000 ] - [ -0.0045910200000000, -0.0196295900000000, 0.0075409700000000 ] - [ -0.0004815600000000, 0.0002713700000000, -0.0001713900000000 ] - [ -0.0006420700000000, -0.0000314600000000, -0.0001037200000000 ] - [ 0.0004707500000000, -0.0002420100000000, 0.0000915800000000 ] - [ 0.0005794600000000, -0.0003618600000000, -0.0000083300000000 ] - [ 0.0000366400000000, 0.0001444300000000, -0.0003893200000000 ] - [ 0.0000146800000000, 0.0000732700000000, -0.0003758900000000 ] - [ 0.0000737300000000, -0.0001421600000000, 0.0000760600000000 ] - [ 0.0000565000000000, -0.0001823400000000, 0.0000797500000000 ] - [ -0.0013898800000000, -0.0007452400000000, -0.0009938900000000 ] - [ -0.0062302800000000, 0.0114617500000000, 0.0041755700000000 ] - [ -0.0002299600000000, 0.0002375900000000, 0.0000471900000000 ] - [ -0.0002299300000000, 0.0001419700000000, 0.0000447100000000 ]- atom: 75 displacement: [ -0.0099999541101204, 0.0000000000000000, 0.0000302951396548 ] forces: - [ 0.0037130100000000, -0.0026104200000000, -0.0050309300000000 ] - [ 0.0001207800000000, 0.0009797700000000, -0.0009519000000000 ] - [ -0.0049365100000000, -0.0013045400000000, -0.0034285900000000 ] - [ -0.0020842800000000, -0.0017995200000000, 0.0011406300000000 ] - [ 0.0011289500000000, 0.0015606700000000, 0.0002050800000000 ] - [ 0.0033656900000000, -0.0027151200000000, 0.0005893100000000 ] - [ 0.0004968100000000, 0.0002090700000000, 0.0002570500000000 ] - [ 0.0010243400000000, 0.0000503300000000, 0.0000002700000000 ] - [ -0.0000219300000000, 0.0000535100000000, 0.0000639300000000 ] - [ -0.0000118600000000, -0.0000358500000000, 0.0000985100000000 ] - [ -0.0032854100000000, 0.0008740500000000, -0.0032747800000000 ] - [ -0.0016945100000000, 0.0029625200000000, 0.0002150800000000 ] - [ -0.0001071600000000, 0.0012993700000000, -0.0007003500000000 ] - [ -0.0007002300000000, -0.0010220600000000, -0.0011312800000000 ] - [ 0.0000878600000000, -0.0000761600000000, -0.0001178900000000 ] - [ 0.0000009500000000, 0.0000198300000000, -0.0000444500000000 ] - [ 0.0004029000000000, 0.0001415900000000, 0.0002649000000000 ] - [ 0.0010059100000000, -0.0006261100000000, 0.0002624200000000 ] - [ -0.0002463900000000, 0.0000426100000000, 0.0002880300000000 ] - [ -0.0005841500000000, -0.0004190100000000, 0.0005091400000000 ] - [ -0.0001843600000000, 0.0000023800000000, -0.0001589200000000 ] - [ -0.0000575800000000, 0.0000970800000000, -0.0001221800000000 ] - [ -0.0002038600000000, 0.0000014000000000, -0.0001724100000000 ] - [ -0.0001761900000000, 0.0000958900000000, -0.0002819100000000 ] - [ 0.0042774200000000, 0.0013663200000000, -0.0019622200000000 ] - [ 0.0003562900000000, 0.0006370800000000, -0.0006766000000000 ] - [ 0.0016024600000000, 0.0003059100000000, 0.0002116300000000 ] - [ 0.0054993100000000, -0.0024231300000000, 0.0005266800000000 ] - [ -0.0014516600000000, 0.0005075300000000, 0.0011436100000000 ] - [ -0.0009906000000000, 0.0004958700000000, 0.0007569700000000 ] - [ -0.0001701400000000, -0.0000818300000000, -0.0002049000000000 ] - [ -0.0001904000000000, -0.0001112500000000, -0.0001871200000000 ] - [ -0.0047971100000000, 0.0018115200000000, -0.0017733500000000 ] - [ -0.0650622900000000, -0.0543041400000000, 0.0047873800000000 ] - [ 0.0000389700000000, 0.0001458000000000, 0.0003352600000000 ] - [ 0.0000413600000000, 0.0000239300000000, 0.0001167100000000 ] - [ -0.0006595000000000, -0.0010096900000000, -0.0007077200000000 ] - [ -0.0018259400000000, 0.0009208300000000, -0.0017954000000000 ] - [ 0.0006261700000000, -0.0001732700000000, -0.0004483700000000 ] - [ 0.0005378100000000, -0.0003370300000000, -0.0002373800000000 ] - [ 0.0000436000000000, 0.0004644300000000, 0.0000488400000000 ] - [ 0.0001104800000000, 0.0003796300000000, 0.0000928900000000 ] - [ -0.0001841300000000, 0.0001534900000000, -0.0000685900000000 ] - [ -0.0001970700000000, 0.0001324100000000, -0.0001241500000000 ] - [ -0.0002949900000000, -0.0002262500000000, 0.0000264600000000 ] - [ 0.0008461300000000, 0.0001862500000000, 0.0009498800000000 ] - [ 0.0002579000000000, -0.0001626900000000, 0.0000554000000000 ] - [ 0.0002408100000000, -0.0001531800000000, 0.0000521500000000 ] - [ 0.0004489800000000, -0.0001195200000000, 0.0001501000000000 ] - [ 0.0003674400000000, -0.0001431600000000, 0.0001031300000000 ] - [ 0.0000158700000000, -0.0004886900000000, -0.0000307000000000 ] - [ 0.0000014000000000, -0.0004599600000000, -0.0000434600000000 ] - [ 0.0024177200000000, 0.0004404400000000, 0.0015374800000000 ] - [ 0.0013773800000000, -0.0001649100000000, 0.0004290800000000 ] - [ -0.0002168600000000, -0.0007685400000000, -0.0005244400000000 ] - [ 0.0033812400000000, 0.0050945900000000, 0.0010791200000000 ] - [ -0.0050083100000000, 0.0011131400000000, 0.0002045900000000 ] - [ -0.0026759300000000, -0.0033210600000000, -0.0004406000000000 ] - [ 0.0002176300000000, 0.0016851100000000, 0.0018275800000000 ] - [ 0.0008561600000000, -0.0002033000000000, 0.0005991800000000 ] - [ -0.0001606500000000, -0.0001932400000000, 0.0003546700000000 ] - [ -0.0001543400000000, -0.0001270200000000, 0.0002877000000000 ] - [ -0.0001764000000000, 0.0002874700000000, -0.0003430000000000 ] - [ -0.0006178100000000, 0.0013628200000000, -0.0008609000000000 ] - [ -0.0000446400000000, -0.0000820500000000, 0.0002749300000000 ] - [ -0.0000119800000000, -0.0000693600000000, 0.0001219100000000 ] - [ -0.0007611200000000, -0.0001919700000000, -0.0001013600000000 ] - [ -0.0019793600000000, 0.0005088000000000, -0.0000534200000000 ] - [ 0.0002848000000000, 0.0001201400000000, -0.0004658500000000 ] - [ 0.0003109100000000, 0.0001546700000000, -0.0003508300000000 ] - [ 0.0000851800000000, -0.0002186400000000, -0.0001875000000000 ] - [ 0.0001554500000000, -0.0002350400000000, -0.0003423100000000 ] - [ 0.0004229600000000, -0.0007951600000000, -0.0026817400000000 ] - [ 0.0002089400000000, -0.0009147900000000, -0.0010112400000000 ] - [ 0.0772617700000000, 0.0771549600000000, 0.0043447400000000 ] - [ 0.0014428700000000, -0.0007037600000000, 0.0014142700000000 ] - [ -0.0003282700000000, -0.0001203400000000, 0.0003031700000000 ] - [ -0.0003120900000000, -0.0001075400000000, 0.0002737900000000 ] - [ -0.0000151600000000, 0.0001336100000000, -0.0002470400000000 ] - [ -0.0000211900000000, 0.0001214100000000, -0.0001056400000000 ] - [ -0.0004417900000000, 0.0002869000000000, -0.0000883200000000 ] - [ -0.0004133800000000, 0.0002494900000000, -0.0000910000000000 ] - [ -0.0027440100000000, -0.0018824500000000, 0.0023331800000000 ] - [ 0.0008085300000000, -0.0002451700000000, -0.0001073900000000 ] - [ -0.0033116000000000, -0.0010082100000000, 0.0005654900000000 ] - [ -0.0008690500000000, 0.0005326500000000, 0.0004114000000000 ] - [ -0.0051619700000000, 0.0018474400000000, -0.0040832500000000 ] - [ -0.0006851800000000, 0.0006037700000000, -0.0003899000000000 ] - [ 0.0002558200000000, -0.0002020200000000, 0.0000095800000000 ] - [ 0.0002456200000000, -0.0001930400000000, 0.0000410900000000 ] - [ 0.0000363700000000, 0.0002610100000000, 0.0001438900000000 ] - [ 0.0002611600000000, -0.0001677300000000, 0.0003230500000000 ] - [ 0.0012483200000000, 0.0003784600000000, 0.0000566300000000 ] - [ -0.0100256300000000, -0.0255497500000000, 0.0113113300000000 ] - [ -0.0003742100000000, -0.0010333000000000, 0.0003125600000000 ] - [ -0.0032976100000000, 0.0006876700000000, 0.0026068100000000 ] - [ 0.0000294400000000, 0.0000869400000000, 0.0002022600000000 ] - [ -0.0002249500000000, -0.0007116400000000, 0.0018446600000000 ] - [ -0.0015721200000000, -0.0002712400000000, 0.0006097400000000 ] - [ 0.0000116200000000, -0.0004162100000000, -0.0001458800000000 ] - [ -0.0000717200000000, -0.0000668500000000, 0.0002361000000000 ] - [ -0.0000635000000000, -0.0001044500000000, 0.0003087900000000 ] - [ -0.0002061200000000, -0.0004096100000000, 0.0001367600000000 ] - [ -0.0001992000000000, -0.0000692300000000, 0.0001442200000000 ] - [ 0.0001873500000000, -0.0002154500000000, -0.0002346000000000 ] - [ 0.0000515400000000, -0.0004253800000000, 0.0000555300000000 ] - [ -0.0003863800000000, 0.0000053100000000, 0.0001186500000000 ] - [ -0.0003297200000000, 0.0000363300000000, -0.0000408500000000 ] - [ -0.0021879000000000, -0.0001342300000000, 0.0000471200000000 ] - [ -0.0009109500000000, -0.0003294100000000, 0.0000026700000000 ] - [ 0.0001314300000000, 0.0000316100000000, -0.0000289300000000 ] - [ -0.0006431400000000, 0.0002158600000000, -0.0006736900000000 ] - [ 0.0006293000000000, 0.0004016400000000, -0.0000373200000000 ] - [ 0.0009798800000000, 0.0003184100000000, 0.0001859200000000 ] - [ 0.0019231000000000, -0.0056677500000000, 0.0007225100000000 ] - [ 0.0048488900000000, 0.0199302400000000, -0.0073127100000000 ] - [ 0.0005471800000000, -0.0004861300000000, 0.0000243800000000 ] - [ 0.0007031300000000, -0.0001875400000000, -0.0000474900000000 ] - [ 0.0003039300000000, -0.0002606000000000, 0.0000924900000000 ] - [ 0.0001961600000000, -0.0001399500000000, 0.0001931100000000 ] - [ 0.0000809600000000, 0.0000548700000000, -0.0002293700000000 ] - [ 0.0001034300000000, 0.0001262200000000, -0.0002446700000000 ] - [ 0.0002192600000000, -0.0001558000000000, 0.0001360900000000 ] - [ 0.0002414300000000, -0.0001179900000000, 0.0001305200000000 ] - [ 0.0015024800000000, 0.0005653700000000, 0.0003810100000000 ] - [ 0.0064407100000000, -0.0116444300000000, -0.0048144100000000 ] - [ -0.0001736400000000, 0.0001497600000000, -0.0000171100000000 ] - [ -0.0001735100000000, 0.0002467200000000, -0.0000128500000000 ]- atom: 75 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0019048200000000, 0.0074885800000000, 0.0031517900000000 ] - [ 0.0002747500000000, -0.0035466100000000, -0.0002267800000000 ] - [ 0.0025904400000000, 0.0071084900000000, 0.0044867400000000 ] - [ -0.0012324400000000, -0.0102293800000000, 0.0038335300000000 ] - [ -0.0041723300000000, -0.0027119800000000, 0.0006725800000000 ] - [ 0.0072447300000000, 0.0029018400000000, -0.0024838600000000 ] - [ 0.0005600000000000, -0.0000156400000000, -0.0000075500000000 ] - [ -0.0007948600000000, -0.0000310200000000, 0.0008268500000000 ] - [ 0.0000558000000000, -0.0002248700000000, 0.0002698500000000 ] - [ -0.0000168300000000, 0.0001946900000000, 0.0001953300000000 ] - [ -0.0018036600000000, 0.0108251300000000, -0.0143067100000000 ] - [ 0.0031177200000000, -0.0103007700000000, -0.0026180700000000 ] - [ -0.0005639700000000, -0.0024091900000000, 0.0013751100000000 ] - [ 0.0005395300000000, 0.0013951300000000, -0.0009954600000000 ] - [ -0.0000629500000000, -0.0003104400000000, 0.0001018700000000 ] - [ 0.0000004300000000, 0.0001046700000000, -0.0002158700000000 ] - [ -0.0000491800000000, -0.0014389000000000, 0.0001926100000000 ] - [ 0.0001119200000000, 0.0018655800000000, -0.0003490200000000 ] - [ -0.0005404800000000, -0.0007795400000000, -0.0001609600000000 ] - [ 0.0005691900000000, 0.0008404700000000, 0.0006173900000000 ] - [ -0.0000059000000000, 0.0003079700000000, 0.0002386900000000 ] - [ 0.0000281200000000, -0.0001445500000000, -0.0000849600000000 ] - [ -0.0002594400000000, 0.0004572600000000, -0.0004340500000000 ] - [ 0.0001830400000000, -0.0004221800000000, 0.0004942700000000 ] - [ -0.0048665400000000, 0.0074358300000000, 0.0005499800000000 ] - [ 0.0004039400000000, -0.0049054500000000, -0.0013785700000000 ] - [ 0.0019011600000000, -0.0030722900000000, -0.0010612100000000 ] - [ -0.0033022700000000, 0.0050734000000000, 0.0018228100000000 ] - [ -0.0016494200000000, 0.0032871600000000, 0.0021617100000000 ] - [ 0.0008293600000000, -0.0020463600000000, -0.0012755500000000 ] - [ -0.0000929700000000, -0.0003325900000000, 0.0000203200000000 ] - [ -0.0000987800000000, 0.0001107100000000, 0.0001666900000000 ] - [ 0.0050101400000000, -0.0154523600000000, -0.0043328300000000 ] - [ 0.0560303500000000, 0.2418392600000000, -0.0176472800000000 ] - [ 0.0000445900000000, 0.0001402200000000, 0.0000650100000000 ] - [ 0.0000812000000000, 0.0000011700000000, 0.0004930200000000 ] - [ 0.0004425800000000, -0.0032169600000000, -0.0027798400000000 ] - [ -0.0004052400000000, -0.0001503200000000, 0.0035815000000000 ] - [ 0.0001345400000000, -0.0000524300000000, 0.0006324900000000 ] - [ 0.0004109000000000, -0.0001157800000000, -0.0004544700000000 ] - [ 0.0000628800000000, 0.0002804200000000, 0.0001151100000000 ] - [ -0.0000683200000000, 0.0006448500000000, 0.0000321600000000 ] - [ -0.0002151300000000, 0.0000566700000000, -0.0000821200000000 ] - [ -0.0001658000000000, 0.0002414500000000, 0.0000818000000000 ] - [ 0.0019965500000000, -0.0005544400000000, 0.0009833000000000 ] - [ -0.0051068000000000, 0.0010955600000000, -0.0025169300000000 ] - [ 0.0002694500000000, -0.0001270500000000, 0.0000910500000000 ] - [ 0.0002658800000000, -0.0001719800000000, 0.0000821000000000 ] - [ 0.0000658900000000, -0.0003388300000000, 0.0001764900000000 ] - [ -0.0004273000000000, -0.0011812800000000, -0.0002090400000000 ] - [ -0.0000309500000000, -0.0003583800000000, -0.0000195600000000 ] - [ 0.0000149100000000, -0.0005276500000000, -0.0000372100000000 ] - [ -0.0001933900000000, 0.0004140100000000, 0.0002576500000000 ] - [ -0.0004245000000000, 0.0003117800000000, -0.0001293700000000 ] - [ 0.0016968000000000, 0.0000374000000000, -0.0004725200000000 ] - [ -0.0037500700000000, -0.0047173500000000, -0.0008233500000000 ] - [ -0.0025935300000000, -0.0024272700000000, 0.0010432900000000 ] - [ 0.0016897500000000, 0.0038692900000000, -0.0002594300000000 ] - [ -0.0038081900000000, 0.0013152600000000, 0.0059068500000000 ] - [ 0.0008009800000000, 0.0017112600000000, -0.0015514000000000 ] - [ -0.0000153500000000, -0.0000015700000000, -0.0001384100000000 ] - [ -0.0001508600000000, -0.0002518300000000, 0.0003318700000000 ] - [ -0.0001156900000000, 0.0015234900000000, -0.0005032700000000 ] - [ 0.0005299300000000, -0.0010994800000000, -0.0001107100000000 ] - [ 0.0000450000000000, -0.0001617100000000, -0.0002680200000000 ] - [ -0.0000004600000000, -0.0000062200000000, 0.0001998900000000 ] - [ 0.0003890500000000, 0.0017693500000000, 0.0015245900000000 ] - [ -0.0000040600000000, -0.0020338700000000, -0.0015442400000000 ] - [ 0.0004131100000000, 0.0000303100000000, -0.0002813700000000 ] - [ 0.0003823800000000, 0.0001997600000000, -0.0004809300000000 ] - [ 0.0004469900000000, 0.0008772100000000, 0.0004273800000000 ] - [ -0.0003430200000000, -0.0011824200000000, -0.0003414400000000 ] - [ 0.0000863200000000, -0.0020718500000000, -0.0041225100000000 ] - [ 0.0000067800000000, 0.0025298100000000, 0.0018333400000000 ] - [ -0.0737192300000000, -0.3565246100000000, 0.0337016600000000 ] - [ 0.0011133100000000, 0.0115989100000000, 0.0003564900000000 ] - [ -0.0003446400000000, -0.0000227500000000, 0.0002514900000000 ] - [ -0.0002503500000000, -0.0001894400000000, 0.0001703900000000 ] - [ -0.0000754100000000, -0.0001121300000000, -0.0000954900000000 ] - [ -0.0002124800000000, 0.0003875700000000, -0.0002183000000000 ] - [ -0.0004107800000000, 0.0001547500000000, -0.0001954100000000 ] - [ -0.0004285800000000, 0.0002972700000000, -0.0001220300000000 ] - [ 0.0064933900000000, 0.0007050800000000, -0.0041995000000000 ] - [ -0.0021068500000000, 0.0012191200000000, 0.0006850800000000 ] - [ 0.0021942100000000, -0.0008858400000000, -0.0005681500000000 ] - [ -0.0006963400000000, 0.0021738200000000, 0.0021302400000000 ] - [ 0.0038796700000000, -0.0025622000000000, 0.0028265100000000 ] - [ -0.0020951800000000, 0.0028244100000000, -0.0008687400000000 ] - [ 0.0001981500000000, -0.0000488000000000, -0.0000554400000000 ] - [ 0.0002062300000000, -0.0002749200000000, -0.0001798400000000 ] - [ -0.0003573900000000, 0.0001999500000000, 0.0014452700000000 ] - [ 0.0002121900000000, 0.0007449000000000, -0.0015927700000000 ] - [ -0.0029471000000000, 0.0032855000000000, 0.0023716800000000 ] - [ 0.0155778300000000, 0.0138487900000000, -0.0084900500000000 ] - [ 0.0006352000000000, 0.0030805200000000, -0.0003784200000000 ] - [ -0.0011117900000000, -0.0044783200000000, 0.0013240500000000 ] - [ -0.0006428100000000, 0.0008786200000000, 0.0004843700000000 ] - [ 0.0009059700000000, 0.0003351300000000, -0.0021357000000000 ] - [ 0.0020081600000000, -0.0019506100000000, -0.0010518500000000 ] - [ 0.0000160700000000, 0.0012529500000000, 0.0004921800000000 ] - [ -0.0000682700000000, -0.0001822900000000, 0.0002762400000000 ] - [ -0.0000734100000000, 0.0000636400000000, 0.0000754800000000 ] - [ 0.0004371000000000, -0.0000984300000000, -0.0006873500000000 ] - [ 0.0001420700000000, -0.0004974300000000, 0.0001798400000000 ] - [ 0.0002582500000000, -0.0005882500000000, -0.0005423200000000 ] - [ -0.0002578100000000, -0.0000402000000000, 0.0003759700000000 ] - [ -0.0001252100000000, 0.0000788900000000, -0.0003572300000000 ] - [ -0.0002130000000000, 0.0000157500000000, 0.0002121400000000 ] - [ 0.0002550600000000, -0.0011347900000000, -0.0003170800000000 ] - [ 0.0001208400000000, 0.0009650100000000, -0.0000191400000000 ] - [ -0.0008435400000000, 0.0009051700000000, -0.0007699700000000 ] - [ 0.0034329700000000, -0.0008176200000000, 0.0022183100000000 ] - [ 0.0002639900000000, 0.0009554200000000, 0.0007699400000000 ] - [ -0.0003254100000000, -0.0004118600000000, -0.0013753600000000 ] - [ 0.0019928900000000, 0.0177463300000000, -0.0001425200000000 ] - [ -0.0100071200000000, 0.0364754700000000, -0.0141093700000000 ] - [ -0.0007578300000000, 0.0009909300000000, -0.0003529200000000 ] - [ 0.0006192200000000, -0.0013418700000000, 0.0001763000000000 ] - [ 0.0002853100000000, -0.0000280900000000, 0.0001485200000000 ] - [ 0.0005008200000000, -0.0005107900000000, -0.0001976400000000 ] - [ 0.0000621400000000, 0.0003829000000000, -0.0004042100000000 ] - [ 0.0000168800000000, -0.0001233600000000, -0.0004536500000000 ] - [ 0.0001436000000000, -0.0000324600000000, 0.0000636700000000 ] - [ 0.0001211300000000, -0.0003394700000000, -0.0000471100000000 ] - [ -0.0028232000000000, 0.0140927800000000, 0.0006059000000000 ] - [ 0.0087132100000000, 0.0280338100000000, 0.0144466300000000 ] - [ -0.0001533700000000, 0.0001694200000000, 0.0000252000000000 ] - [ -0.0002503500000000, 0.0001711100000000, -0.0002181600000000 ]- atom: 75 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0017771100000000, -0.0074225300000000, -0.0035003700000000 ] - [ -0.0003964200000000, 0.0036756700000000, -0.0001163600000000 ] - [ -0.0023108200000000, -0.0070044300000000, -0.0040794300000000 ] - [ 0.0013398700000000, 0.0101766200000000, -0.0040695300000000 ] - [ 0.0042120100000000, 0.0027407700000000, -0.0004917300000000 ] - [ -0.0072430200000000, -0.0029495300000000, 0.0026919800000000 ] - [ -0.0004382000000000, 0.0001449700000000, 0.0003387900000000 ] - [ 0.0009267400000000, 0.0001497800000000, -0.0005020400000000 ] - [ -0.0000074700000000, 0.0002173900000000, -0.0000908700000000 ] - [ 0.0000663400000000, -0.0002070100000000, -0.0000159300000000 ] - [ 0.0017051800000000, -0.0105839900000000, 0.0132595200000000 ] - [ -0.0031967200000000, 0.0103436000000000, 0.0024618700000000 ] - [ 0.0004901900000000, 0.0025447200000000, -0.0011825900000000 ] - [ -0.0006182900000000, -0.0012994200000000, 0.0011946300000000 ] - [ -0.0000640500000000, 0.0001913000000000, -0.0004340400000000 ] - [ -0.0001266400000000, -0.0002359100000000, -0.0001129000000000 ] - [ 0.0001765200000000, 0.0013287900000000, 0.0001448700000000 ] - [ 0.0000039200000000, -0.0019970600000000, 0.0006824200000000 ] - [ 0.0004695300000000, 0.0006626300000000, 0.0003538900000000 ] - [ -0.0006512200000000, -0.0009743300000000, -0.0004243300000000 ] - [ 0.0000858400000000, -0.0001848700000000, -0.0004360600000000 ] - [ 0.0000471400000000, 0.0002680800000000, -0.0001061400000000 ] - [ 0.0002129900000000, -0.0004519300000000, 0.0002592100000000 ] - [ -0.0002330000000000, 0.0004342900000000, -0.0006780500000000 ] - [ 0.0050994700000000, -0.0076208600000000, -0.0003243300000000 ] - [ -0.0002131800000000, 0.0047394900000000, 0.0016185100000000 ] - [ -0.0011350600000000, 0.0032044700000000, 0.0009059600000000 ] - [ 0.0041436700000000, -0.0050258900000000, -0.0019795000000000 ] - [ 0.0008931600000000, -0.0034472100000000, -0.0020721400000000 ] - [ -0.0016192800000000, 0.0019435700000000, 0.0014416700000000 ] - [ -0.0001057600000000, 0.0001502600000000, -0.0002438600000000 ] - [ -0.0000949700000000, -0.0002993400000000, -0.0003951200000000 ] - [ -0.0052156600000000, 0.0156752100000000, 0.0041138100000000 ] - [ -0.0615988800000000, -0.2586114900000000, 0.0190041300000000 ] - [ 0.0001515500000000, 0.0000441400000000, 0.0001628300000000 ] - [ 0.0001149900000000, 0.0001793900000000, -0.0002711200000000 ] - [ -0.0012345400000000, 0.0033773300000000, 0.0029480700000000 ] - [ -0.0003749200000000, 0.0002536100000000, -0.0034637200000000 ] - [ 0.0006503800000000, -0.0000564700000000, -0.0007735400000000 ] - [ 0.0003730000000000, 0.0000003900000000, 0.0003172300000000 ] - [ -0.0000352600000000, 0.0005895300000000, -0.0000053600000000 ] - [ 0.0000965600000000, 0.0002234300000000, 0.0000789200000000 ] - [ -0.0002804500000000, 0.0002414700000000, -0.0000252400000000 ] - [ -0.0003284400000000, 0.0000552800000000, -0.0001901500000000 ] - [ -0.0024885200000000, 0.0002592700000000, -0.0010881900000000 ] - [ 0.0046600400000000, -0.0014108900000000, 0.0024295500000000 ] - [ 0.0002255300000000, -0.0001718800000000, 0.0000174700000000 ] - [ 0.0002278500000000, -0.0001272000000000, 0.0000250000000000 ] - [ -0.0000360500000000, -0.0005265300000000, -0.0000656500000000 ] - [ 0.0004578100000000, 0.0003138600000000, 0.0003204100000000 ] - [ 0.0000024200000000, -0.0005119700000000, -0.0000911400000000 ] - [ -0.0000426700000000, -0.0003435600000000, -0.0000727500000000 ] - [ 0.0006861600000000, -0.0001195500000000, -0.0001540300000000 ] - [ 0.0009203800000000, -0.0000135400000000, 0.0002368800000000 ] - [ -0.0017185000000000, 0.0008437700000000, 0.0003606000000000 ] - [ 0.0037369200000000, 0.0056199400000000, 0.0007177700000000 ] - [ 0.0017926100000000, 0.0019947400000000, -0.0012386200000000 ] - [ -0.0025123600000000, -0.0043240300000000, 0.0000698000000000 ] - [ 0.0036963000000000, -0.0006570500000000, -0.0055794700000000 ] - [ -0.0009582600000000, -0.0010061000000000, 0.0019431000000000 ] - [ -0.0001985700000000, -0.0003307400000000, 0.0005889900000000 ] - [ -0.0000601600000000, -0.0000770900000000, 0.0001158500000000 ] - [ 0.0002633600000000, -0.0008352600000000, 0.0001399700000000 ] - [ -0.0003913600000000, 0.0018171200000000, -0.0002633800000000 ] - [ -0.0001240000000000, -0.0000483000000000, 0.0004043500000000 ] - [ -0.0000766700000000, -0.0002006300000000, -0.0000638000000000 ] - [ -0.0005970600000000, -0.0014490000000000, -0.0010735200000000 ] - [ -0.0002137800000000, 0.0023832600000000, 0.0020084500000000 ] - [ 0.0002667600000000, 0.0001878900000000, -0.0003370400000000 ] - [ 0.0002957800000000, 0.0000190400000000, -0.0001325200000000 ] - [ -0.0000970100000000, -0.0008541400000000, -0.0003719500000000 ] - [ 0.0007023700000000, 0.0012299300000000, 0.0004131600000000 ] - [ 0.0001647500000000, 0.0017829500000000, 0.0037800000000000 ] - [ 0.0002032400000000, -0.0028779900000000, -0.0023072600000000 ] - [ 0.0794856900000000, 0.3747682400000000, -0.0351675900000000 ] - [ -0.0007054100000000, -0.0112515100000000, -0.0003835400000000 ] - [ -0.0003345400000000, -0.0001967000000000, 0.0003638800000000 ] - [ -0.0004308400000000, -0.0000288500000000, 0.0004481700000000 ] - [ -0.0002237500000000, 0.0004095100000000, -0.0001236000000000 ] - [ -0.0000866600000000, -0.0000915900000000, 0.0000044000000000 ] - [ -0.0004010400000000, 0.0002760500000000, 0.0000069100000000 ] - [ -0.0003834800000000, 0.0001337700000000, -0.0000668300000000 ] - [ -0.0067955300000000, -0.0010217800000000, 0.0039714800000000 ] - [ 0.0018248000000000, -0.0015217400000000, -0.0009101400000000 ] - [ -0.0023159300000000, 0.0010790100000000, 0.0011935100000000 ] - [ 0.0005844300000000, -0.0019823500000000, -0.0015181900000000 ] - [ -0.0040384100000000, 0.0027989100000000, -0.0027276300000000 ] - [ 0.0020463100000000, -0.0026418500000000, 0.0010315100000000 ] - [ 0.0002155900000000, -0.0003307900000000, 0.0000387900000000 ] - [ 0.0002050100000000, -0.0001016600000000, 0.0001622300000000 ] - [ 0.0005709300000000, 0.0001253400000000, -0.0019087000000000 ] - [ 0.0000003800000000, -0.0004197600000000, 0.0011560000000000 ] - [ 0.0022602900000000, -0.0030745100000000, -0.0017493300000000 ] - [ -0.0165412900000000, -0.0137637200000000, 0.0092451600000000 ] - [ -0.0010484800000000, -0.0034726700000000, 0.0003897700000000 ] - [ 0.0006717300000000, 0.0041265500000000, -0.0012947600000000 ] - [ 0.0010060100000000, -0.0009308600000000, -0.0004181400000000 ] - [ -0.0005591300000000, -0.0003676400000000, 0.0022112300000000 ] - [ -0.0013398200000000, 0.0017330300000000, 0.0004396300000000 ] - [ 0.0006695500000000, -0.0014771800000000, -0.0011169700000000 ] - [ -0.0000535500000000, -0.0000178800000000, 0.0003496000000000 ] - [ -0.0000488300000000, -0.0002663500000000, 0.0005525700000000 ] - [ -0.0002944100000000, -0.0006052300000000, 0.0003173400000000 ] - [ 0.0000007200000000, -0.0002047200000000, -0.0005545300000000 ] - [ -0.0004082400000000, -0.0001194500000000, 0.0009310700000000 ] - [ 0.0001148400000000, -0.0006566000000000, -0.0000145700000000 ] - [ -0.0002259800000000, -0.0000505700000000, 0.0002967700000000 ] - [ -0.0001387000000000, 0.0000176100000000, -0.0002793200000000 ] - [ -0.0006239900000000, 0.0011101400000000, 0.0002574800000000 ] - [ -0.0004738800000000, -0.0010008100000000, -0.0000377800000000 ] - [ 0.0016537600000000, -0.0004822900000000, 0.0009572500000000 ] - [ -0.0026507200000000, 0.0012593300000000, -0.0020473800000000 ] - [ -0.0001913300000000, -0.0007629800000000, -0.0009145700000000 ] - [ 0.0004045200000000, 0.0006249500000000, 0.0012476500000000 ] - [ -0.0016160500000000, -0.0172766000000000, 0.0004013500000000 ] - [ 0.0106196600000000, -0.0370088800000000, 0.0146935600000000 ] - [ 0.0008395000000000, -0.0012069900000000, 0.0002129900000000 ] - [ -0.0005540200000000, 0.0011487300000000, -0.0003162300000000 ] - [ 0.0005298400000000, -0.0004054400000000, 0.0000405500000000 ] - [ 0.0003107400000000, 0.0000797600000000, 0.0003874600000000 ] - [ 0.0000611900000000, -0.0001840300000000, -0.0002189200000000 ] - [ 0.0001052700000000, 0.0003246800000000, -0.0001698900000000 ] - [ 0.0001551100000000, -0.0002670200000000, 0.0001513000000000 ] - [ 0.0001758500000000, 0.0000437000000000, 0.0002648200000000 ] - [ 0.0029164600000000, -0.0142090500000000, -0.0012777900000000 ] - [ -0.0088249800000000, -0.0288189600000000, -0.0154611300000000 ] - [ -0.0002589800000000, 0.0002046200000000, -0.0000079300000000 ] - [ -0.0001614300000000, 0.0002048400000000, 0.0002351500000000 ]- atom: 75 displacement: [ -0.0009337289454915, 0.0000000000000000, 0.0099563120811047 ] forces: - [ 0.0036429300000000, -0.0005342000000000, -0.0009328000000000 ] - [ -0.0000298800000000, 0.0003794000000000, 0.0006806000000000 ] - [ 0.0052527000000000, 0.0055501500000000, 0.0278555500000000 ] - [ 0.0004981300000000, 0.0027189900000000, -0.0000359700000000 ] - [ -0.0008351900000000, 0.0005605500000000, 0.0031122300000000 ] - [ -0.0016108800000000, -0.0009818300000000, 0.0051989000000000 ] - [ 0.0005243900000000, -0.0004716200000000, -0.0010165900000000 ] - [ 0.0001741100000000, 0.0006340300000000, -0.0009336700000000 ] - [ -0.0000570200000000, 0.0001261900000000, -0.0014589200000000 ] - [ 0.0000301000000000, 0.0001506600000000, -0.0014722900000000 ] - [ 0.0038407800000000, -0.0122728800000000, 0.0380120500000000 ] - [ 0.0027353400000000, -0.0046466800000000, 0.0009027000000000 ] - [ 0.0006678200000000, 0.0024107400000000, -0.0004916200000000 ] - [ 0.0010833200000000, -0.0010578300000000, -0.0003966100000000 ] - [ -0.0003371300000000, 0.0004219700000000, -0.0018970200000000 ] - [ -0.0001793800000000, -0.0006957000000000, -0.0018502800000000 ] - [ -0.0003557200000000, 0.0002089800000000, 0.0000912000000000 ] - [ -0.0015251100000000, -0.0004327800000000, -0.0007330700000000 ] - [ -0.0006014200000000, -0.0005303100000000, -0.0012618800000000 ] - [ -0.0000782100000000, 0.0003088000000000, -0.0017714500000000 ] - [ 0.0006033400000000, 0.0000614200000000, -0.0021044800000000 ] - [ 0.0002009800000000, -0.0000329300000000, -0.0015130700000000 ] - [ -0.0002758100000000, 0.0003716400000000, -0.0021786400000000 ] - [ -0.0000791100000000, 0.0000930500000000, -0.0015772800000000 ] - [ 0.0058061000000000, -0.0007164500000000, 0.0061038800000000 ] - [ 0.0011516300000000, 0.0000889400000000, 0.0039808600000000 ] - [ -0.0001112300000000, 0.0004118600000000, 0.0008745800000000 ] - [ -0.0052553400000000, 0.0046875600000000, 0.0003489400000000 ] - [ 0.0022228100000000, -0.0034461700000000, -0.0076828100000000 ] - [ -0.0003557600000000, 0.0002856500000000, -0.0017504200000000 ] - [ 0.0001921400000000, -0.0000695400000000, -0.0024145500000000 ] - [ 0.0002494900000000, -0.0002360100000000, -0.0026465400000000 ] - [ 0.0032454400000000, 0.0003302700000000, 0.0113408500000000 ] - [ -0.0111148600000000, -0.0227088600000000, 0.0649996400000000 ] - [ 0.0000303400000000, -0.0001309200000000, -0.0023718100000000 ] - [ 0.0000658000000000, 0.0002105700000000, -0.0018252900000000 ] - [ 0.0006476000000000, -0.0058622000000000, -0.0049645100000000 ] - [ -0.0003292300000000, 0.0014624700000000, -0.0018518200000000 ] - [ 0.0003111500000000, 0.0004906300000000, -0.0020178400000000 ] - [ 0.0003018400000000, -0.0004144400000000, -0.0018995700000000 ] - [ 0.0000564600000000, 0.0003984200000000, -0.0000986200000000 ] - [ 0.0000203400000000, 0.0004782300000000, -0.0002197400000000 ] - [ -0.0005152100000000, 0.0000643400000000, -0.0004613600000000 ] - [ -0.0005776100000000, 0.0001605800000000, -0.0004645100000000 ] - [ -0.0008524000000000, 0.0000033200000000, 0.0000989100000000 ] - [ -0.0026581100000000, 0.0000427600000000, -0.0002536800000000 ] - [ -0.0001941700000000, -0.0001712900000000, -0.0003698900000000 ] - [ -0.0001074300000000, -0.0001715700000000, -0.0003180600000000 ] - [ 0.0000323500000000, -0.0000760200000000, 0.0002675300000000 ] - [ -0.0003971700000000, -0.0010227400000000, 0.0001330800000000 ] - [ -0.0000294400000000, -0.0004524800000000, -0.0003933800000000 ] - [ 0.0000004500000000, -0.0004384800000000, -0.0002880400000000 ] - [ 0.0014173800000000, 0.0002544800000000, 0.0010755300000000 ] - [ 0.0011185400000000, -0.0001176400000000, 0.0007459700000000 ] - [ 0.0000722300000000, 0.0000008400000000, 0.0004898800000000 ] - [ 0.0024538800000000, 0.0046304000000000, 0.0011442400000000 ] - [ -0.0020044700000000, 0.0006109900000000, -0.0023745500000000 ] - [ -0.0021401400000000, -0.0027761000000000, -0.0014056500000000 ] - [ -0.0048542900000000, 0.0060319000000000, 0.0088798800000000 ] - [ -0.0000537400000000, -0.0003065300000000, 0.0004025400000000 ] - [ -0.0000551300000000, -0.0007026300000000, 0.0016908100000000 ] - [ 0.0000075000000000, -0.0004304000000000, 0.0015081500000000 ] - [ 0.0002294800000000, 0.0005283000000000, -0.0000421100000000 ] - [ 0.0007068400000000, -0.0011816700000000, 0.0009182300000000 ] - [ -0.0000638400000000, -0.0001576500000000, 0.0008848000000000 ] - [ 0.0001633700000000, 0.0001350600000000, 0.0007059900000000 ] - [ -0.0000758400000000, -0.0002087000000000, -0.0009193700000000 ] - [ 0.0005644100000000, -0.0006948800000000, -0.0014634700000000 ] - [ -0.0000027700000000, 0.0001471200000000, 0.0007449100000000 ] - [ 0.0000273300000000, 0.0000207900000000, 0.0004480900000000 ] - [ 0.0003908500000000, 0.0001100900000000, 0.0007339200000000 ] - [ 0.0009693700000000, 0.0019243000000000, 0.0021244300000000 ] - [ 0.0016124800000000, 0.0014263000000000, 0.0104038800000000 ] - [ 0.0000761000000000, 0.0007959700000000, 0.0011219600000000 ] - [ 0.0020731200000000, 0.0397116600000000, -0.1468749500000000 ] - [ -0.0011138300000000, 0.0005078000000000, -0.0045466500000000 ] - [ -0.0009507900000000, -0.0002161800000000, 0.0014669900000000 ] - [ -0.0010489800000000, -0.0000882400000000, 0.0016926100000000 ] - [ 0.0000854700000000, 0.0004063000000000, 0.0010256500000000 ] - [ 0.0000188100000000, 0.0004008700000000, 0.0007105900000000 ] - [ -0.0001037300000000, 0.0003310900000000, 0.0007751000000000 ] - [ -0.0002033200000000, 0.0003478800000000, 0.0005822200000000 ] - [ -0.0073402900000000, -0.0030916800000000, 0.0025055000000000 ] - [ -0.0016623000000000, 0.0007853600000000, -0.0010661500000000 ] - [ -0.0013492100000000, -0.0008471200000000, -0.0033681000000000 ] - [ -0.0003055500000000, -0.0008031000000000, -0.0023066500000000 ] - [ 0.0068063900000000, -0.0015825400000000, 0.0042722600000000 ] - [ 0.0003498300000000, -0.0003393400000000, 0.0000317900000000 ] - [ 0.0001912100000000, -0.0001633700000000, 0.0014213600000000 ] - [ 0.0001574600000000, -0.0000409400000000, 0.0011305000000000 ] - [ -0.0004317000000000, 0.0002921900000000, 0.0029404100000000 ] - [ 0.0000543800000000, -0.0004623100000000, 0.0011314000000000 ] - [ 0.0005279100000000, 0.0003564400000000, -0.0023628800000000 ] - [ -0.0143068700000000, -0.0200836100000000, -0.0034774800000000 ] - [ -0.0005234700000000, -0.0006655100000000, -0.0017898700000000 ] - [ -0.0030933500000000, 0.0011661400000000, -0.0012958000000000 ] - [ -0.0009611500000000, 0.0015999100000000, 0.0002539300000000 ] - [ 0.0000597600000000, -0.0010342100000000, 0.0011865100000000 ] - [ -0.0008214800000000, -0.0001015800000000, -0.0010719300000000 ] - [ 0.0007301700000000, 0.0000861900000000, -0.0012688700000000 ] - [ 0.0001785800000000, -0.0004733800000000, 0.0018663000000000 ] - [ 0.0001399500000000, -0.0004551700000000, 0.0016326200000000 ] - [ -0.0002970600000000, -0.0004546500000000, 0.0005556100000000 ] - [ -0.0000254000000000, 0.0002947700000000, 0.0006863100000000 ] - [ -0.0010137600000000, -0.0012276900000000, 0.0031606500000000 ] - [ -0.0002668300000000, -0.0006375300000000, 0.0012340900000000 ] - [ 0.0003502700000000, -0.0006261200000000, 0.0008705600000000 ] - [ 0.0001756900000000, -0.0000048000000000, 0.0004669100000000 ] - [ 0.0011296600000000, -0.0001675600000000, 0.0000699300000000 ] - [ -0.0003711300000000, -0.0002407800000000, -0.0001553600000000 ] - [ 0.0007266100000000, -0.0000902800000000, -0.0002608600000000 ] - [ 0.0019082500000000, 0.0006498700000000, -0.0001374200000000 ] - [ 0.0008444200000000, 0.0016235400000000, 0.0012484200000000 ] - [ 0.0000780700000000, -0.0003868900000000, 0.0007407400000000 ] - [ -0.0002734300000000, 0.0064126100000000, -0.0043974700000000 ] - [ 0.0056818400000000, -0.0185820200000000, -0.0047458300000000 ] - [ 0.0001059500000000, -0.0005788000000000, 0.0004926900000000 ] - [ -0.0009175700000000, 0.0006345500000000, 0.0012156700000000 ] - [ 0.0004752900000000, 0.0000179900000000, 0.0007356100000000 ] - [ 0.0006007500000000, -0.0001531200000000, 0.0008491400000000 ] - [ 0.0002065100000000, -0.0001701800000000, 0.0010768000000000 ] - [ 0.0001909800000000, -0.0003623600000000, 0.0012063000000000 ] - [ 0.0002334000000000, 0.0000823300000000, 0.0010145200000000 ] - [ 0.0001402400000000, 0.0002040500000000, 0.0011895100000000 ] - [ 0.0003682800000000, -0.0076848400000000, -0.0048806700000000 ] - [ 0.0074450600000000, 0.0296999300000000, 0.0023897700000000 ] - [ -0.0001704600000000, 0.0004309700000000, 0.0011392600000000 ] - [ -0.0001672600000000, 0.0001948900000000, 0.0011371800000000 ]- atom: 75 displacement: [ 0.0009337289454915, 0.0000000000000000, -0.0099563120811047 ] forces: - [ -0.0037605000000000, 0.0006917800000000, 0.0006226300000000 ] - [ -0.0000923700000000, -0.0002773000000000, -0.0010133600000000 ] - [ -0.0046249200000000, -0.0047177000000000, -0.0265824300000000 ] - [ -0.0004255200000000, -0.0028846000000000, -0.0001460800000000 ] - [ 0.0008705800000000, -0.0005616100000000, -0.0029444000000000 ] - [ 0.0016909600000000, 0.0010075400000000, -0.0050449100000000 ] - [ -0.0004004900000000, 0.0005940200000000, 0.0013527200000000 ] - [ -0.0000600300000000, -0.0005069900000000, 0.0012748500000000 ] - [ 0.0001002600000000, -0.0001354200000000, 0.0016326400000000 ] - [ 0.0000118800000000, -0.0001574400000000, 0.0016452000000000 ] - [ -0.0041350200000000, 0.0138070700000000, -0.0404955100000000 ] - [ -0.0027698800000000, 0.0045962700000000, -0.0010915100000000 ] - [ -0.0007430100000000, -0.0023121600000000, 0.0006982600000000 ] - [ -0.0011597600000000, 0.0011803000000000, 0.0005972400000000 ] - [ 0.0002188900000000, -0.0005531500000000, 0.0015624600000000 ] - [ 0.0000616600000000, 0.0005743500000000, 0.0015162000000000 ] - [ 0.0004729000000000, -0.0003313000000000, 0.0002412500000000 ] - [ 0.0016523800000000, 0.0003237700000000, 0.0010654200000000 ] - [ 0.0005209400000000, 0.0004069400000000, 0.0014676600000000 ] - [ 0.0000048200000000, -0.0004217900000000, 0.0019771800000000 ] - [ -0.0005285900000000, 0.0000593100000000, 0.0019026900000000 ] - [ -0.0001242700000000, 0.0001521400000000, 0.0013079800000000 ] - [ 0.0002317500000000, -0.0003611900000000, 0.0020039100000000 ] - [ 0.0000374200000000, -0.0000869000000000, 0.0014088700000000 ] - [ -0.0056782500000000, 0.0005379200000000, -0.0058914300000000 ] - [ -0.0010003900000000, -0.0003050200000000, -0.0037637300000000 ] - [ 0.0008903700000000, -0.0003332100000000, -0.0010202700000000 ] - [ 0.0059897800000000, -0.0045526200000000, -0.0004833000000000 ] - [ -0.0030080300000000, 0.0033790500000000, 0.0078546500000000 ] - [ -0.0004050600000000, -0.0003930600000000, 0.0018854400000000 ] - [ -0.0003425600000000, -0.0001335700000000, 0.0021880900000000 ] - [ -0.0004000900000000, 0.0000375400000000, 0.0024210400000000 ] - [ -0.0033912200000000, -0.0001783300000000, -0.0115580000000000 ] - [ 0.0114072300000000, 0.0244045700000000, -0.0655477900000000 ] - [ 0.0001187700000000, 0.0003313600000000, 0.0025974500000000 ] - [ 0.0000843200000000, -0.0000089900000000, 0.0020556100000000 ] - [ -0.0014183900000000, 0.0059176600000000, 0.0050870900000000 ] - [ -0.0004344300000000, -0.0013619000000000, 0.0020242200000000 ] - [ 0.0004578300000000, -0.0005928800000000, 0.0018697500000000 ] - [ 0.0004644200000000, 0.0003218400000000, 0.0017508900000000 ] - [ -0.0000369200000000, 0.0004882400000000, 0.0002071100000000 ] - [ -0.0000025400000000, 0.0004121800000000, 0.0003270300000000 ] - [ 0.0000427000000000, 0.0002366100000000, 0.0003604000000000 ] - [ 0.0001069400000000, 0.0001418500000000, 0.0003648200000000 ] - [ 0.0003776800000000, -0.0003065500000000, -0.0002005100000000 ] - [ 0.0021636500000000, -0.0003409600000000, 0.0001414300000000 ] - [ 0.0006673800000000, -0.0001310400000000, 0.0004702100000000 ] - [ 0.0005808500000000, -0.0001301600000000, 0.0004184000000000 ] - [ -0.0000137800000000, -0.0008130400000000, -0.0001603900000000 ] - [ 0.0004157300000000, 0.0001330400000000, -0.0000258600000000 ] - [ 0.0000102300000000, -0.0004352100000000, 0.0002853900000000 ] - [ -0.0000184100000000, -0.0004498900000000, 0.0001795500000000 ] - [ -0.0009516700000000, 0.0000477800000000, -0.0009809000000000 ] - [ -0.0006506100000000, 0.0004214100000000, -0.0006479200000000 ] - [ -0.0000850600000000, 0.0008865000000000, -0.0005964700000000 ] - [ -0.0024853900000000, -0.0037483500000000, -0.0012599400000000 ] - [ 0.0012015100000000, -0.0010744900000000, 0.0022127000000000 ] - [ 0.0013367500000000, 0.0023295800000000, 0.0012389000000000 ] - [ 0.0046339000000000, -0.0052963500000000, -0.0084105100000000 ] - [ -0.0000659100000000, 0.0010022200000000, -0.0000723700000000 ] - [ -0.0001579600000000, 0.0003992000000000, -0.0012749900000000 ] - [ -0.0002124200000000, 0.0001253700000000, -0.0010902100000000 ] - [ -0.0000940300000000, 0.0001616000000000, -0.0003059200000000 ] - [ -0.0005666300000000, 0.0018443100000000, -0.0012544600000000 ] - [ -0.0000547300000000, -0.0000770700000000, -0.0007552200000000 ] - [ -0.0002849800000000, -0.0003703600000000, -0.0005713500000000 ] - [ -0.0001310700000000, 0.0005158700000000, 0.0013375100000000 ] - [ -0.0007671400000000, 0.0009851600000000, 0.0018668800000000 ] - [ 0.0007692000000000, 0.0000724700000000, -0.0014382600000000 ] - [ 0.0007387800000000, 0.0002002600000000, -0.0011434000000000 ] - [ -0.0000912400000000, -0.0001054100000000, -0.0006842100000000 ] - [ -0.0006753100000000, -0.0019626400000000, -0.0021032200000000 ] - [ -0.0014482000000000, -0.0017326000000000, -0.0109555500000000 ] - [ 0.0001274100000000, -0.0010898600000000, -0.0015251000000000 ] - [ -0.0022598000000000, -0.0431108400000000, 0.1483494600000000 ] - [ 0.0015347100000000, -0.0000585100000000, 0.0045368500000000 ] - [ 0.0001869200000000, 0.0000064800000000, -0.0007798500000000 ] - [ 0.0002853200000000, -0.0001315900000000, -0.0010024100000000 ] - [ -0.0004161000000000, -0.0001350800000000, -0.0012662300000000 ] - [ -0.0003511700000000, -0.0001279200000000, -0.0009530700000000 ] - [ -0.0007059900000000, 0.0001156700000000, -0.0009446800000000 ] - [ -0.0006038900000000, 0.0001075400000000, -0.0007369900000000 ] - [ 0.0070879400000000, 0.0028619700000000, -0.0027941600000000 ] - [ 0.0013265300000000, -0.0010575300000000, 0.0008334900000000 ] - [ 0.0012432900000000, 0.0010897600000000, 0.0040831700000000 ] - [ 0.0001872900000000, 0.0010543900000000, 0.0030243900000000 ] - [ -0.0068503900000000, 0.0018113000000000, -0.0040806000000000 ] - [ -0.0004858600000000, 0.0005909800000000, 0.0000948400000000 ] - [ 0.0002272600000000, -0.0002542000000000, -0.0014367800000000 ] - [ 0.0002591700000000, -0.0003815900000000, -0.0011473500000000 ] - [ 0.0006297600000000, 0.0000127800000000, -0.0033370200000000 ] - [ 0.0001476100000000, 0.0007649000000000, -0.0015522500000000 ] - [ -0.0012904600000000, -0.0001344400000000, 0.0030471500000000 ] - [ 0.0133826800000000, 0.0202016200000000, 0.0040699100000000 ] - [ 0.0001088500000000, 0.0002582100000000, 0.0018050300000000 ] - [ 0.0026994000000000, -0.0016063700000000, 0.0013102900000000 ] - [ 0.0012461700000000, -0.0015826100000000, -0.0002079400000000 ] - [ 0.0002383000000000, 0.0010415300000000, -0.0011605600000000 ] - [ 0.0015870600000000, -0.0001144600000000, 0.0003869900000000 ] - [ 0.0000344400000000, -0.0002995200000000, 0.0005799900000000 ] - [ -0.0002942900000000, 0.0002325500000000, -0.0011566000000000 ] - [ -0.0002561000000000, 0.0002122700000000, -0.0009251900000000 ] - [ 0.0004314600000000, -0.0002116700000000, -0.0008908400000000 ] - [ 0.0001502900000000, -0.0009848400000000, -0.0010312300000000 ] - [ 0.0008960500000000, 0.0005425100000000, -0.0028266500000000 ] - [ 0.0001277700000000, -0.0000344300000000, -0.0008964800000000 ] - [ -0.0006565300000000, 0.0006255900000000, -0.0009179000000000 ] - [ -0.0004674000000000, -0.0000054800000000, -0.0005079600000000 ] - [ -0.0014146200000000, 0.0001731400000000, -0.0001122900000000 ] - [ 0.0000651700000000, 0.0002561100000000, 0.0001181600000000 ] - [ 0.0000838500000000, 0.0005447900000000, 0.0004190500000000 ] - [ -0.0010863300000000, -0.0002116000000000, 0.0003173300000000 ] - [ -0.0007136300000000, -0.0013777800000000, -0.0013811800000000 ] - [ 0.0000407800000000, 0.0006148000000000, -0.0008851000000000 ] - [ 0.0006122800000000, -0.0060940400000000, 0.0046451000000000 ] - [ -0.0052921300000000, 0.0189001500000000, 0.0048377900000000 ] - [ 0.0000099100000000, 0.0003473100000000, -0.0006244300000000 ] - [ 0.0010434300000000, -0.0008762700000000, -0.0013513400000000 ] - [ 0.0003327000000000, -0.0004708500000000, -0.0005803300000000 ] - [ 0.0002063600000000, -0.0003067100000000, -0.0006960100000000 ] - [ -0.0000888600000000, 0.0004148000000000, -0.0017824200000000 ] - [ -0.0000742200000000, 0.0006025100000000, -0.0019124300000000 ] - [ 0.0000977000000000, -0.0003557000000000, -0.0007791900000000 ] - [ 0.0001874500000000, -0.0004775100000000, -0.0009527600000000 ] - [ -0.0002539400000000, 0.0074695300000000, 0.0041523500000000 ] - [ -0.0074069500000000, -0.0301540000000000, -0.0031312200000000 ] - [ -0.0002443200000000, -0.0000136800000000, -0.0011247300000000 ] - [ -0.0002479900000000, 0.0002200600000000, -0.0011274900000000 ]- atom: 79 displacement: [ 0.0099999541101204, 0.0000000000000000, -0.0000302951396548 ] forces: - [ -0.0019669500000000, -0.0000785700000000, -0.0005232100000000 ] - [ -0.0009322100000000, 0.0004920500000000, -0.0006942100000000 ] - [ 0.0014610500000000, -0.0001629700000000, -0.0009910600000000 ] - [ 0.0008326400000000, -0.0002509100000000, -0.0005580100000000 ] - [ 0.0003214400000000, -0.0000022200000000, 0.0001576900000000 ] - [ 0.0004354600000000, 0.0001850000000000, 0.0003988400000000 ] - [ -0.0078946800000000, -0.0055311700000000, 0.0074973600000000 ] - [ -0.0013890800000000, 0.0009840600000000, 0.0008794600000000 ] - [ 0.0015835100000000, -0.0026576100000000, -0.0031390100000000 ] - [ 0.0045943300000000, 0.0052140700000000, -0.0011735100000000 ] - [ 0.0000524700000000, 0.0000093900000000, -0.0002788100000000 ] - [ 0.0000150100000000, 0.0000087300000000, -0.0002771600000000 ] - [ 0.0002747900000000, -0.0000002000000000, -0.0001108600000000 ] - [ 0.0001969100000000, 0.0000623800000000, 0.0000484100000000 ] - [ -0.0014284500000000, -0.0007787200000000, -0.0007072200000000 ] - [ -0.0009982800000000, -0.0003774800000000, 0.0002163700000000 ] - [ -0.0001624400000000, -0.0001313100000000, -0.0001137700000000 ] - [ -0.0001814200000000, 0.0001925200000000, -0.0001999700000000 ] - [ 0.0036414700000000, -0.0006660200000000, 0.0030736500000000 ] - [ 0.0088107000000000, -0.0126067300000000, -0.0066192700000000 ] - [ 0.0014377700000000, -0.0002844900000000, 0.0020926000000000 ] - [ 0.0005027200000000, -0.0003283500000000, 0.0007566200000000 ] - [ 0.0323374000000000, -0.0058864300000000, -0.0110701100000000 ] - [ 0.0008930400000000, -0.0008569200000000, -0.0004438900000000 ] - [ 0.0003463400000000, -0.0000125100000000, 0.0000813100000000 ] - [ 0.0003069900000000, -0.0000479000000000, 0.0001053100000000 ] - [ -0.0000936700000000, -0.0015493600000000, 0.0016379100000000 ] - [ 0.0018751500000000, -0.0004901400000000, 0.0036821100000000 ] - [ -0.0005228600000000, -0.0001560600000000, 0.0003294000000000 ] - [ -0.0006084300000000, -0.0003684300000000, 0.0003241900000000 ] - [ -0.0009721300000000, 0.0071038300000000, 0.0004601500000000 ] - [ 0.0020572400000000, -0.0037844200000000, 0.0109527500000000 ] - [ 0.0002165600000000, 0.0000736200000000, -0.0006754900000000 ] - [ 0.0001051900000000, -0.0001024900000000, -0.0005489600000000 ] - [ 0.1822900800000000, 0.0690199500000000, 0.0679087100000000 ] - [ 0.0006529600000000, -0.0001489000000000, 0.0010202000000000 ] - [ 0.0007705700000000, 0.0058215300000000, -0.0094538000000000 ] - [ -0.0045117600000000, -0.0018933500000000, -0.0004537000000000 ] - [ 0.0013695000000000, 0.0002678300000000, -0.0025322100000000 ] - [ 0.0011195000000000, 0.0005810900000000, -0.0012082900000000 ] - [ 0.0004661700000000, 0.0000352800000000, 0.0003675400000000 ] - [ -0.0039327500000000, 0.0067881000000000, -0.0002139100000000 ] - [ -0.0019054300000000, 0.0006637000000000, -0.0001983600000000 ] - [ -0.0039919100000000, -0.0001817900000000, -0.0014536800000000 ] - [ -0.0004603200000000, -0.0001382600000000, -0.0001372100000000 ] - [ -0.0004312000000000, -0.0001418700000000, -0.0001155300000000 ] - [ -0.0044822200000000, -0.0001442900000000, -0.0019294200000000 ] - [ -0.0000935700000000, -0.0001827800000000, -0.0001397200000000 ] - [ -0.0000015500000000, -0.0003815400000000, 0.0000295500000000 ] - [ 0.0000106200000000, -0.0003803500000000, 0.0000593900000000 ] - [ -0.0011067000000000, 0.0009849700000000, -0.0000580600000000 ] - [ -0.0004406000000000, -0.0000045100000000, -0.0001708700000000 ] - [ 0.0002054400000000, 0.0000868600000000, 0.0001410300000000 ] - [ 0.0002059300000000, 0.0001367100000000, 0.0000661800000000 ] - [ -0.0002092200000000, 0.0002491700000000, -0.0002482600000000 ] - [ -0.0001356800000000, 0.0003291000000000, -0.0001519500000000 ] - [ -0.0000896800000000, 0.0001133800000000, -0.0001075800000000 ] - [ -0.0002611300000000, -0.0000607400000000, -0.0000073500000000 ] - [ -0.0000444200000000, 0.0004761800000000, 0.0024640400000000 ] - [ 0.0007527900000000, 0.0013689300000000, 0.0009942200000000 ] - [ -0.0002423200000000, 0.0002393900000000, 0.0019865500000000 ] - [ -0.0002808100000000, -0.0010809000000000, 0.0013240300000000 ] - [ -0.0003123800000000, 0.0022718700000000, -0.0019669100000000 ] - [ 0.0013706500000000, -0.0004582700000000, -0.0030888300000000 ] - [ -0.0012787100000000, -0.0003866500000000, 0.0002967900000000 ] - [ -0.0008575600000000, -0.0004044600000000, -0.0000383300000000 ] - [ 0.0001597000000000, 0.0001896400000000, -0.0003738400000000 ] - [ -0.0001892300000000, -0.0001749500000000, -0.0011293400000000 ] - [ 0.0439572200000000, 0.0152943800000000, -0.0015815300000000 ] - [ -0.0000761800000000, 0.0003681900000000, -0.0003375000000000 ] - [ 0.0004032200000000, 0.0000889400000000, -0.0000211600000000 ] - [ 0.0004237800000000, -0.0001741800000000, -0.0001923400000000 ] - [ 0.0002087200000000, -0.0001089000000000, -0.0002163300000000 ] - [ 0.0002123900000000, -0.0000434700000000, -0.0001382600000000 ] - [ 0.0001203500000000, 0.0002889100000000, 0.0002699200000000 ] - [ 0.0001376400000000, 0.0001660500000000, 0.0002343000000000 ] - [ 0.0014263600000000, -0.0013488400000000, -0.0005200000000000 ] - [ 0.0013639300000000, -0.0000799300000000, -0.0027834500000000 ] - [ -0.2919017400000000, -0.0816691700000000, -0.0726189500000000 ] - [ -0.0014471200000000, 0.0005686400000000, -0.0004866600000000 ] - [ 0.0031985300000000, -0.0003005300000000, 0.0014093600000000 ] - [ 0.0001514000000000, 0.0000016600000000, 0.0001147800000000 ] - [ -0.0003264300000000, -0.0001355400000000, -0.0000303600000000 ] - [ -0.0002633800000000, -0.0001138800000000, -0.0000706500000000 ] - [ -0.0001283200000000, 0.0001569100000000, 0.0002718000000000 ] - [ -0.0001075400000000, 0.0000388500000000, 0.0002418300000000 ] - [ -0.0019521000000000, 0.0005119700000000, -0.0007553200000000 ] - [ -0.0009717700000000, 0.0007989000000000, -0.0004825000000000 ] - [ 0.0028361700000000, -0.0068962500000000, -0.0069662500000000 ] - [ -0.0007015000000000, 0.0017451600000000, -0.0015691100000000 ] - [ 0.0118878400000000, -0.0064890400000000, 0.0087234000000000 ] - [ 0.0010890100000000, 0.0006144200000000, -0.0000812500000000 ] - [ -0.0005286500000000, 0.0001179400000000, 0.0008343900000000 ] - [ -0.0003503800000000, 0.0001502800000000, 0.0006080900000000 ] - [ -0.0003278400000000, -0.0002327200000000, 0.0000358400000000 ] - [ -0.0003481200000000, -0.0002601900000000, -0.0000778200000000 ] - [ 0.0020536000000000, -0.0026677700000000, 0.0023381900000000 ] - [ 0.0019202500000000, -0.0001364100000000, 0.0001641800000000 ] - [ 0.0002304800000000, -0.0000789200000000, -0.0001140800000000 ] - [ 0.0002474100000000, -0.0000466500000000, -0.0001757700000000 ] - [ 0.0071703300000000, 0.0028809700000000, 0.0200573600000000 ] - [ -0.0000423400000000, 0.0008646600000000, 0.0001861800000000 ] - [ -0.0003271700000000, -0.0000893800000000, 0.0005574100000000 ] - [ -0.0002524600000000, -0.0003729800000000, 0.0001951100000000 ] - [ 0.0005900000000000, -0.0002895500000000, -0.0002428700000000 ] - [ 0.0001717900000000, -0.0000928500000000, -0.0002169600000000 ] - [ -0.0000135500000000, -0.0003160500000000, 0.0006902400000000 ] - [ 0.0001040800000000, -0.0002939500000000, 0.0003333400000000 ] - [ 0.0011231800000000, -0.0010208500000000, -0.0024969500000000 ] - [ 0.0007380800000000, 0.0001749900000000, -0.0003525600000000 ] - [ 0.0006243800000000, 0.0000715800000000, 0.0002097300000000 ] - [ 0.0005974500000000, 0.0000718400000000, 0.0001547600000000 ] - [ -0.0011079400000000, -0.0020596100000000, 0.0010984300000000 ] - [ 0.0041541700000000, 0.0045860800000000, 0.0030803400000000 ] - [ -0.0001879400000000, 0.0000531800000000, 0.0003048300000000 ] - [ -0.0001996800000000, 0.0000602400000000, 0.0002624400000000 ] - [ 0.0001034800000000, -0.0000907200000000, -0.0000916700000000 ] - [ 0.0001854200000000, -0.0001913800000000, -0.0001192100000000 ] - [ 0.0023635300000000, 0.0020022200000000, 0.0003800200000000 ] - [ 0.0044660100000000, -0.0036435700000000, 0.0006161100000000 ] - [ 0.0007032000000000, -0.0012164600000000, -0.0001074800000000 ] - [ 0.0082861800000000, 0.0104421400000000, -0.0090388900000000 ] - [ -0.0016629600000000, -0.0011902700000000, -0.0001048900000000 ] - [ -0.0023878400000000, -0.0001260600000000, -0.0017956300000000 ] - [ 0.0000841900000000, -0.0000099400000000, 0.0000131000000000 ] - [ 0.0001044500000000, 0.0000073400000000, -0.0000551600000000 ] - [ -0.0050371300000000, 0.0105141900000000, 0.0050403400000000 ] - [ -0.0020505500000000, -0.0015289300000000, -0.0006350100000000 ]- atom: 79 displacement: [ -0.0099999541101204, 0.0000000000000000, 0.0000302951396548 ] forces: - [ 0.0018434200000000, 0.0002025100000000, 0.0002293900000000 ] - [ 0.0008112300000000, -0.0003767200000000, 0.0004019100000000 ] - [ -0.0014059300000000, 0.0000616100000000, 0.0008268700000000 ] - [ -0.0007651800000000, 0.0001500100000000, 0.0003937300000000 ] - [ -0.0002395500000000, 0.0000049800000000, 0.0000467200000000 ] - [ -0.0003540500000000, -0.0001782200000000, -0.0001945300000000 ] - [ 0.0079992900000000, 0.0055984800000000, -0.0071220400000000 ] - [ 0.0015234100000000, -0.0008595700000000, -0.0005654500000000 ] - [ -0.0015200800000000, 0.0026636500000000, 0.0033647000000000 ] - [ -0.0045063900000000, -0.0052020600000000, 0.0014122800000000 ] - [ -0.0001233200000000, -0.0000067800000000, 0.0000733900000000 ] - [ -0.0000934200000000, -0.0000116700000000, 0.0000593100000000 ] - [ -0.0003367700000000, 0.0001080100000000, 0.0002718900000000 ] - [ -0.0002667100000000, 0.0000384500000000, 0.0001088500000000 ] - [ 0.0013184300000000, 0.0006516800000000, 0.0004073200000000 ] - [ 0.0008808100000000, 0.0002550200000000, -0.0005229700000000 ] - [ 0.0002799700000000, 0.0000153700000000, 0.0004131300000000 ] - [ 0.0002918900000000, -0.0003181900000000, 0.0004928200000000 ] - [ -0.0037000900000000, 0.0005630600000000, -0.0029220900000000 ] - [ -0.0091292300000000, 0.0126143300000000, 0.0068671300000000 ] - [ -0.0013747600000000, 0.0003928900000000, -0.0022541100000000 ] - [ -0.0004395700000000, 0.0004432500000000, -0.0009163000000000 ] - [ -0.0354399700000000, 0.0064395800000000, 0.0121235500000000 ] - [ -0.0009757600000000, 0.0008528900000000, 0.0002427300000000 ] - [ -0.0000783000000000, -0.0000802500000000, 0.0001807000000000 ] - [ -0.0000374900000000, -0.0000596900000000, 0.0001386000000000 ] - [ 0.0008884300000000, 0.0016168200000000, -0.0017770200000000 ] - [ -0.0010572100000000, 0.0006010900000000, -0.0038481500000000 ] - [ -0.0002170900000000, 0.0000573600000000, -0.0001873400000000 ] - [ -0.0001700500000000, 0.0003047000000000, -0.0001552600000000 ] - [ 0.0006921200000000, -0.0071832800000000, -0.0007280600000000 ] - [ -0.0023647500000000, 0.0036807000000000, -0.0112223100000000 ] - [ -0.0004975100000000, 0.0000122500000000, 0.0004035400000000 ] - [ -0.0003772000000000, 0.0002135500000000, 0.0002684300000000 ] - [ -0.1745236200000000, -0.0634791300000000, -0.0624382800000000 ] - [ -0.0003557500000000, 0.0002169000000000, -0.0007947400000000 ] - [ -0.0015711000000000, -0.0057762200000000, 0.0096457900000000 ] - [ 0.0037284300000000, 0.0019808700000000, 0.0006230200000000 ] - [ -0.0005967500000000, -0.0003432200000000, 0.0023672600000000 ] - [ -0.0003498300000000, -0.0006729200000000, 0.0010480900000000 ] - [ -0.0004083900000000, 0.0007663900000000, -0.0002338300000000 ] - [ 0.0039583600000000, -0.0059272700000000, 0.0003386800000000 ] - [ 0.0013215400000000, -0.0003758200000000, 0.0000697100000000 ] - [ 0.0034047800000000, 0.0004669500000000, 0.0013222100000000 ] - [ -0.0001240700000000, -0.0001486500000000, 0.0000085600000000 ] - [ -0.0001498100000000, -0.0001511600000000, -0.0000100100000000 ] - [ 0.0050556200000000, -0.0001474000000000, 0.0020506800000000 ] - [ 0.0006896500000000, -0.0001028000000000, 0.0002741300000000 ] - [ 0.0000490400000000, -0.0004191100000000, 0.0001032200000000 ] - [ 0.0000384500000000, -0.0004307500000000, 0.0000735800000000 ] - [ 0.0010606800000000, -0.0018006300000000, -0.0000757400000000 ] - [ 0.0003941300000000, -0.0007954400000000, 0.0000393400000000 ] - [ 0.0003747100000000, 0.0002014600000000, -0.0000132700000000 ] - [ 0.0003740100000000, 0.0001542000000000, 0.0000585700000000 ] - [ 0.0001631400000000, 0.0005560100000000, 0.0001168000000000 ] - [ 0.0000849000000000, 0.0004779900000000, 0.0000168600000000 ] - [ -0.0008057400000000, -0.0004291800000000, -0.0000541700000000 ] - [ -0.0006301400000000, -0.0002546500000000, -0.0001564600000000 ] - [ 0.0000119600000000, 0.0001779300000000, -0.0022048400000000 ] - [ -0.0007535000000000, -0.0006955700000000, -0.0007352400000000 ] - [ 0.0000032200000000, -0.0004977900000000, -0.0016426200000000 ] - [ 0.0000648800000000, 0.0008311800000000, -0.0009774800000000 ] - [ 0.0003457000000000, -0.0016009300000000, 0.0016813500000000 ] - [ -0.0013554100000000, 0.0011246300000000, 0.0028242200000000 ] - [ 0.0010166000000000, 0.0000762800000000, -0.0002277000000000 ] - [ 0.0005887800000000, 0.0000941400000000, 0.0001080500000000 ] - [ -0.0003816900000000, 0.0000665500000000, 0.0007266600000000 ] - [ -0.0000423200000000, 0.0004307100000000, 0.0014954400000000 ] - [ -0.0421170300000000, -0.0146848400000000, 0.0008650000000000 ] - [ 0.0007310500000000, -0.0001477600000000, -0.0002561100000000 ] - [ -0.0001748200000000, -0.0001415700000000, 0.0000476100000000 ] - [ -0.0002124000000000, 0.0001107000000000, 0.0002104000000000 ] - [ 0.0000069000000000, -0.0001490500000000, -0.0001429000000000 ] - [ 0.0000171400000000, -0.0002257300000000, -0.0002344300000000 ] - [ 0.0003355200000000, 0.0001429500000000, -0.0002471300000000 ] - [ 0.0003277200000000, 0.0002804400000000, -0.0001859600000000 ] - [ -0.0021041500000000, 0.0011442700000000, 0.0011287500000000 ] - [ -0.0020215600000000, -0.0001353600000000, 0.0033857400000000 ] - [ 0.2866023500000000, 0.0752936800000000, 0.0656163700000000 ] - [ 0.0011141100000000, -0.0003176500000000, 0.0002684000000000 ] - [ -0.0040895800000000, 0.0006255600000000, -0.0015702500000000 ] - [ -0.0010561900000000, 0.0003090400000000, -0.0002744500000000 ] - [ 0.0000063900000000, -0.0001226000000000, -0.0001795200000000 ] - [ -0.0000413300000000, -0.0001368800000000, -0.0001391200000000 ] - [ -0.0000514800000000, 0.0000495800000000, 0.0002968000000000 ] - [ -0.0000725300000000, 0.0001641100000000, 0.0003253200000000 ] - [ 0.0016786800000000, -0.0002147900000000, 0.0008373600000000 ] - [ 0.0006462700000000, -0.0004660600000000, 0.0005268100000000 ] - [ -0.0023980900000000, 0.0064494100000000, 0.0070200400000000 ] - [ 0.0011715900000000, -0.0021931000000000, 0.0015786200000000 ] - [ -0.0117826800000000, 0.0067998600000000, -0.0091369000000000 ] - [ -0.0008786300000000, -0.0003713700000000, -0.0002563600000000 ] - [ -0.0001353700000000, 0.0000933400000000, -0.0002318800000000 ] - [ -0.0003115400000000, 0.0000572300000000, -0.0000014400000000 ] - [ -0.0001294200000000, -0.0002127400000000, -0.0000471900000000 ] - [ -0.0001083900000000, -0.0001901100000000, 0.0000509700000000 ] - [ -0.0018465500000000, 0.0027404600000000, -0.0023323500000000 ] - [ -0.0017061700000000, 0.0001956000000000, -0.0001550400000000 ] - [ 0.0004393800000000, -0.0001275700000000, -0.0004885600000000 ] - [ 0.0004118400000000, -0.0001581500000000, -0.0004219400000000 ] - [ -0.0073812400000000, -0.0030563900000000, -0.0192154000000000 ] - [ -0.0001392000000000, -0.0010631700000000, 0.0003768900000000 ] - [ 0.0003703700000000, -0.0005548700000000, -0.0008319600000000 ] - [ 0.0002768200000000, -0.0002760300000000, -0.0004615700000000 ] - [ -0.0006257000000000, -0.0003704200000000, 0.0005267800000000 ] - [ -0.0002243600000000, -0.0005698800000000, 0.0005024100000000 ] - [ -0.0002028800000000, 0.0002567900000000, -0.0007140500000000 ] - [ -0.0003050700000000, 0.0002385200000000, -0.0003530900000000 ] - [ -0.0013537700000000, 0.0010534200000000, 0.0024484100000000 ] - [ -0.0009586000000000, -0.0001092400000000, 0.0003386100000000 ] - [ 0.0002783800000000, 0.0002335600000000, -0.0000456700000000 ] - [ 0.0003013000000000, 0.0002479100000000, 0.0000133100000000 ] - [ 0.0014094200000000, 0.0023854200000000, -0.0011746300000000 ] - [ -0.0038714700000000, -0.0042868600000000, -0.0031772200000000 ] - [ 0.0005118500000000, 0.0002019300000000, -0.0000838800000000 ] - [ 0.0005142300000000, 0.0001760600000000, -0.0000316900000000 ] - [ 0.0001430800000000, -0.0002086700000000, 0.0000108400000000 ] - [ 0.0000835300000000, -0.0001074000000000, 0.0000639100000000 ] - [ -0.0014702800000000, -0.0022907100000000, -0.0002075400000000 ] - [ -0.0035601600000000, 0.0032911100000000, -0.0004578300000000 ] - [ -0.0005150000000000, 0.0014311400000000, -0.0004562800000000 ] - [ -0.0081984100000000, -0.0103404500000000, 0.0085542000000000 ] - [ 0.0020058600000000, 0.0009334200000000, 0.0003146200000000 ] - [ 0.0027115300000000, -0.0001292400000000, 0.0020122100000000 ] - [ 0.0000976300000000, -0.0001975800000000, -0.0005796000000000 ] - [ 0.0000759400000000, -0.0002002300000000, -0.0004854900000000 ] - [ 0.0044779700000000, -0.0100519900000000, -0.0050768100000000 ] - [ 0.0015581400000000, 0.0020635800000000, 0.0005946600000000 ]- atom: 79 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001019000000000, 0.0010525100000000, -0.0004430200000000 ] - [ -0.0005391700000000, -0.0010476200000000, -0.0001113200000000 ] - [ -0.0006181600000000, 0.0008282000000000, -0.0001751600000000 ] - [ 0.0006068000000000, -0.0009042800000000, -0.0009716000000000 ] - [ 0.0000917500000000, 0.0001366800000000, 0.0000474000000000 ] - [ -0.0000485300000000, -0.0002236500000000, -0.0006584000000000 ] - [ -0.0010902900000000, -0.0002198100000000, 0.0025652300000000 ] - [ 0.0010545300000000, -0.0012725600000000, 0.0009450300000000 ] - [ 0.0003264200000000, -0.0054563900000000, -0.0078764100000000 ] - [ 0.0020097200000000, 0.0023422500000000, 0.0045173400000000 ] - [ -0.0000327200000000, 0.0000951500000000, -0.0004435400000000 ] - [ -0.0000458100000000, -0.0001671200000000, -0.0004614800000000 ] - [ 0.0001005300000000, 0.0000724700000000, -0.0004021800000000 ] - [ -0.0000438400000000, 0.0000610000000000, -0.0001610000000000 ] - [ -0.0002942500000000, 0.0001437100000000, -0.0009220200000000 ] - [ -0.0002289100000000, -0.0004811500000000, 0.0000670300000000 ] - [ 0.0000291200000000, -0.0003408200000000, -0.0002042400000000 ] - [ 0.0000442200000000, 0.0002623600000000, -0.0002157900000000 ] - [ 0.0010525000000000, -0.0062517600000000, 0.0063230200000000 ] - [ -0.0075415600000000, 0.0355743800000000, 0.0223710700000000 ] - [ 0.0000163400000000, 0.0017425600000000, -0.0006059100000000 ] - [ 0.0002258700000000, -0.0013221300000000, -0.0000892600000000 ] - [ -0.0069982900000000, 0.0073108800000000, 0.0043238200000000 ] - [ 0.0001365800000000, -0.0024670500000000, 0.0006634000000000 ] - [ 0.0002072000000000, 0.0001783900000000, -0.0004542700000000 ] - [ 0.0001403900000000, -0.0003336200000000, -0.0003967800000000 ] - [ -0.0000055100000000, -0.0027603300000000, 0.0015198300000000 ] - [ 0.0028148200000000, 0.0052879100000000, -0.0031964600000000 ] - [ -0.0003836000000000, 0.0004632700000000, -0.0004101700000000 ] - [ -0.0004604500000000, -0.0004901700000000, -0.0004109400000000 ] - [ 0.0017659000000000, -0.0018571700000000, -0.0002670500000000 ] - [ -0.0000679300000000, -0.0019236800000000, 0.0047518300000000 ] - [ -0.0001585000000000, -0.0002511100000000, -0.0002399400000000 ] - [ -0.0001776200000000, 0.0004538700000000, -0.0010235600000000 ] - [ 0.0678190100000000, 0.0912009300000000, 0.0419389900000000 ] - [ 0.0012124700000000, -0.0126328700000000, 0.0000587200000000 ] - [ 0.0017624000000000, 0.0024155500000000, 0.0028794700000000 ] - [ -0.0072142700000000, -0.0042428200000000, 0.0001298800000000 ] - [ 0.0009148400000000, 0.0007310000000000, -0.0021680600000000 ] - [ 0.0002864900000000, -0.0005231700000000, 0.0002272700000000 ] - [ 0.0002295500000000, -0.0008462800000000, 0.0004314800000000 ] - [ -0.0008219300000000, 0.0033208300000000, 0.0001261700000000 ] - [ -0.0002897100000000, 0.0001264900000000, -0.0001226500000000 ] - [ -0.0012261400000000, 0.0001470300000000, -0.0004070600000000 ] - [ -0.0003247500000000, -0.0001472100000000, -0.0001290300000000 ] - [ -0.0003461800000000, -0.0001416300000000, -0.0001596700000000 ] - [ -0.0004175500000000, -0.0003083500000000, -0.0004393200000000 ] - [ 0.0002334700000000, -0.0002899100000000, 0.0000896500000000 ] - [ 0.0000230600000000, -0.0004011000000000, -0.0000229100000000 ] - [ 0.0000079700000000, -0.0004705900000000, 0.0000046200000000 ] - [ -0.0004466100000000, 0.0002647000000000, -0.0000631000000000 ] - [ 0.0001853100000000, -0.0009093900000000, -0.0000583200000000 ] - [ 0.0002375300000000, 0.0002245200000000, -0.0000287300000000 ] - [ 0.0001335000000000, 0.0000872200000000, -0.0000039000000000 ] - [ 0.0000115500000000, 0.0004921700000000, 0.0000031500000000 ] - [ -0.0000627000000000, 0.0003712000000000, -0.0001987900000000 ] - [ -0.0004605300000000, -0.0003773800000000, -0.0000438200000000 ] - [ -0.0002267800000000, -0.0000958000000000, 0.0001392600000000 ] - [ 0.0000345300000000, -0.0011872100000000, -0.0008004900000000 ] - [ 0.0011561100000000, 0.0029538900000000, 0.0016187400000000 ] - [ 0.0001260100000000, -0.0007151800000000, 0.0024942200000000 ] - [ -0.0003150300000000, -0.0001379500000000, -0.0002569400000000 ] - [ 0.0009725200000000, 0.0020307600000000, -0.0023829900000000 ] - [ -0.0041847500000000, 0.0007380100000000, 0.0042448100000000 ] - [ -0.0002513400000000, -0.0004402000000000, 0.0004892700000000 ] - [ 0.0000146000000000, 0.0001936200000000, 0.0000583200000000 ] - [ 0.0000198300000000, 0.0004904400000000, -0.0002226200000000 ] - [ -0.0005771200000000, -0.0003614700000000, 0.0015867100000000 ] - [ 0.0086531100000000, -0.0082096600000000, 0.0004821200000000 ] - [ -0.0006151900000000, 0.0028033500000000, -0.0002149700000000 ] - [ 0.0002868300000000, 0.0003272100000000, 0.0003818800000000 ] - [ 0.0002208600000000, -0.0002024200000000, -0.0000100500000000 ] - [ 0.0001268300000000, -0.0001982400000000, 0.0000820500000000 ] - [ 0.0001245400000000, 0.0000604600000000, 0.0001522000000000 ] - [ 0.0002239500000000, -0.0000672600000000, 0.0002638100000000 ] - [ 0.0002377600000000, 0.0004325600000000, 0.0002615500000000 ] - [ -0.0011591700000000, 0.0003959800000000, 0.0007597500000000 ] - [ 0.0005902200000000, -0.0000483900000000, -0.0011612400000000 ] - [ -0.0806547800000000, -0.1719425700000000, -0.0914571700000000 ] - [ 0.0002972900000000, 0.0048625800000000, 0.0005241200000000 ] - [ 0.0002427500000000, -0.0001884400000000, 0.0002864700000000 ] - [ -0.0004587200000000, 0.0007207800000000, -0.0000644900000000 ] - [ -0.0001457200000000, -0.0002939300000000, 0.0001501300000000 ] - [ -0.0001577600000000, -0.0001050600000000, 0.0000635100000000 ] - [ -0.0000615300000000, 0.0000193900000000, 0.0006340900000000 ] - [ -0.0000298300000000, 0.0003673000000000, 0.0006693500000000 ] - [ -0.0002550800000000, -0.0014987800000000, 0.0010984500000000 ] - [ -0.0005778900000000, 0.0012282400000000, -0.0002476200000000 ] - [ -0.0015211500000000, 0.0006529000000000, 0.0028150300000000 ] - [ 0.0001061600000000, 0.0011807800000000, -0.0009406800000000 ] - [ -0.0015591700000000, -0.0006488800000000, -0.0021695000000000 ] - [ 0.0011642800000000, 0.0015880800000000, -0.0012428300000000 ] - [ -0.0003448900000000, 0.0002727900000000, 0.0002592300000000 ] - [ -0.0003983300000000, -0.0000194400000000, 0.0007463000000000 ] - [ -0.0001995300000000, -0.0000764400000000, 0.0002294400000000 ] - [ -0.0002383100000000, -0.0003841300000000, 0.0003461600000000 ] - [ -0.0004140700000000, 0.0003235200000000, -0.0007585600000000 ] - [ 0.0014703900000000, -0.0000007100000000, 0.0002683800000000 ] - [ 0.0001581900000000, -0.0001853200000000, 0.0000095800000000 ] - [ 0.0002398900000000, -0.0000220400000000, -0.0000902900000000 ] - [ 0.0009582000000000, -0.0109633600000000, 0.0003762900000000 ] - [ -0.0002820200000000, 0.0068273000000000, -0.0022516400000000 ] - [ -0.0001567700000000, -0.0000764100000000, 0.0006126700000000 ] - [ 0.0000643200000000, -0.0003436800000000, -0.0001420800000000 ] - [ -0.0000575000000000, -0.0008720800000000, 0.0006216000000000 ] - [ -0.0001249500000000, -0.0000578500000000, 0.0002368200000000 ] - [ 0.0000210100000000, -0.0005434900000000, 0.0006060800000000 ] - [ -0.0002366600000000, 0.0002340800000000, -0.0000457600000000 ] - [ -0.0011647000000000, -0.0018482300000000, -0.0008109400000000 ] - [ 0.0002729100000000, 0.0012745900000000, 0.0000925900000000 ] - [ 0.0004605300000000, 0.0001869800000000, 0.0002599500000000 ] - [ 0.0004675800000000, 0.0001864400000000, 0.0002448500000000 ] - [ -0.0025010600000000, 0.0002493600000000, -0.0023330200000000 ] - [ 0.0068481100000000, 0.0067524500000000, 0.0040540700000000 ] - [ 0.0001976600000000, 0.0000635300000000, 0.0001082800000000 ] - [ 0.0002276300000000, 0.0000618900000000, 0.0006336900000000 ] - [ 0.0000238400000000, -0.0000159500000000, 0.0001569800000000 ] - [ 0.0001871000000000, -0.0002928900000000, 0.0000492000000000 ] - [ 0.0009285700000000, 0.0005329300000000, -0.0003527400000000 ] - [ 0.0011780900000000, -0.0019031900000000, -0.0001267800000000 ] - [ -0.0003904700000000, 0.0011422500000000, -0.0005542000000000 ] - [ 0.0041911300000000, 0.0032411200000000, -0.0044659900000000 ] - [ -0.0009149300000000, 0.0011345800000000, 0.0011143500000000 ] - [ 0.0001443300000000, -0.0007949300000000, -0.0013386700000000 ] - [ 0.0001248600000000, -0.0000544400000000, -0.0001399900000000 ] - [ 0.0001331600000000, -0.0000152400000000, 0.0001370800000000 ] - [ 0.0198533800000000, 0.0373678900000000, 0.0209252800000000 ] - [ -0.0060100800000000, 0.0175872000000000, -0.0067609900000000 ]- atom: 79 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002173800000000, -0.0009390500000000, 0.0001124800000000 ] - [ 0.0004200900000000, 0.0011699600000000, -0.0002185100000000 ] - [ 0.0006919400000000, -0.0009411100000000, -0.0000251000000000 ] - [ -0.0005339400000000, 0.0007910600000000, 0.0007749600000000 ] - [ -0.0000492300000000, -0.0001229700000000, 0.0001273400000000 ] - [ 0.0000909000000000, 0.0002349800000000, 0.0008325500000000 ] - [ 0.0012204600000000, 0.0003786900000000, -0.0022651300000000 ] - [ -0.0009380800000000, 0.0013916100000000, -0.0006144400000000 ] - [ -0.0002727100000000, 0.0054502400000000, 0.0079920900000000 ] - [ -0.0019929000000000, -0.0024164700000000, -0.0043748000000000 ] - [ -0.0000102000000000, -0.0001052000000000, 0.0002718700000000 ] - [ 0.0000024600000000, 0.0001549900000000, 0.0002890500000000 ] - [ -0.0001759200000000, 0.0000434300000000, 0.0006041900000000 ] - [ -0.0000298100000000, 0.0000521400000000, 0.0003637300000000 ] - [ 0.0001753400000000, -0.0002585200000000, 0.0006028800000000 ] - [ 0.0001089600000000, 0.0003511300000000, -0.0003964200000000 ] - [ 0.0000907300000000, 0.0002234200000000, 0.0005344600000000 ] - [ 0.0000758800000000, -0.0003806800000000, 0.0005475100000000 ] - [ -0.0011212300000000, 0.0061286600000000, -0.0060878800000000 ] - [ 0.0080692000000000, -0.0380327900000000, -0.0239228100000000 ] - [ 0.0000565400000000, -0.0016230400000000, 0.0004123100000000 ] - [ -0.0001491200000000, 0.0014423500000000, -0.0001157800000000 ] - [ 0.0071241900000000, -0.0074865700000000, -0.0046042100000000 ] - [ -0.0001658400000000, 0.0024789000000000, -0.0008444700000000 ] - [ -0.0000464900000000, -0.0003746600000000, 0.0006741200000000 ] - [ 0.0000191600000000, 0.0001372600000000, 0.0006204500000000 ] - [ 0.0007845800000000, 0.0028615500000000, -0.0016588300000000 ] - [ -0.0020496000000000, -0.0052051300000000, 0.0030508500000000 ] - [ -0.0003940400000000, -0.0005612700000000, 0.0005608000000000 ] - [ -0.0003159000000000, 0.0003897500000000, 0.0005557300000000 ] - [ -0.0019118500000000, 0.0016971100000000, 0.0000373600000000 ] - [ -0.0000798400000000, 0.0017115800000000, -0.0049752700000000 ] - [ -0.0000039000000000, 0.0004512800000000, 0.0000220100000000 ] - [ 0.0000129600000000, -0.0002572400000000, 0.0008038800000000 ] - [ -0.0651518500000000, -0.0906663100000000, -0.0404243000000000 ] - [ -0.0010605800000000, 0.0128556100000000, 0.0001936800000000 ] - [ -0.0025196000000000, -0.0022953400000000, -0.0027658200000000 ] - [ 0.0064539800000000, 0.0043482000000000, 0.0000137200000000 ] - [ -0.0001328700000000, -0.0008199800000000, 0.0020255700000000 ] - [ 0.0004874900000000, 0.0004202100000000, -0.0003694200000000 ] - [ -0.0002183400000000, 0.0017328500000000, -0.0003227500000000 ] - [ 0.0008516800000000, -0.0024607700000000, -0.0000188200000000 ] - [ -0.0001907100000000, 0.0001746000000000, 0.0000185400000000 ] - [ 0.0007474900000000, 0.0001535500000000, 0.0003029500000000 ] - [ -0.0001580900000000, -0.0001521700000000, 0.0000259000000000 ] - [ -0.0001365900000000, -0.0001582400000000, 0.0000562700000000 ] - [ 0.0009500400000000, 0.0000111600000000, 0.0005589800000000 ] - [ 0.0002403900000000, -0.0000109900000000, 0.0000089300000000 ] - [ -0.0000008000000000, -0.0004765600000000, 0.0001322700000000 ] - [ 0.0000136400000000, -0.0004091900000000, 0.0001045500000000 ] - [ 0.0004280300000000, -0.0011556400000000, -0.0000448600000000 ] - [ -0.0002089100000000, 0.0000338600000000, -0.0000514400000000 ] - [ 0.0002447100000000, 0.0000766300000000, 0.0001319000000000 ] - [ 0.0003488700000000, 0.0002137400000000, 0.0001074900000000 ] - [ -0.0000331200000000, 0.0003894100000000, -0.0001122900000000 ] - [ 0.0000407600000000, 0.0005096600000000, 0.0000902300000000 ] - [ -0.0003604700000000, -0.0000460800000000, -0.0001331100000000 ] - [ -0.0005943200000000, -0.0003247300000000, -0.0003214500000000 ] - [ -0.0001708800000000, 0.0018848500000000, 0.0011616900000000 ] - [ -0.0012890100000000, -0.0022644800000000, -0.0012692100000000 ] - [ -0.0003326700000000, 0.0003864600000000, -0.0020461200000000 ] - [ 0.0001126000000000, -0.0001654700000000, 0.0006884600000000 ] - [ -0.0008290400000000, -0.0013426800000000, 0.0020226700000000 ] - [ 0.0043374600000000, -0.0000731100000000, -0.0046271000000000 ] - [ 0.0001458100000000, 0.0002076600000000, -0.0003575900000000 ] - [ -0.0001185100000000, -0.0004186900000000, 0.0000824600000000 ] - [ -0.0002253900000000, -0.0001804500000000, 0.0006506500000000 ] - [ 0.0003731600000000, 0.0006790400000000, -0.0011556700000000 ] - [ -0.0079738000000000, 0.0083202100000000, -0.0011489800000000 ] - [ 0.0013726100000000, -0.0025997400000000, -0.0004643500000000 ] - [ 0.0000346900000000, -0.0003125100000000, -0.0003281200000000 ] - [ 0.0000977700000000, 0.0002040800000000, 0.0000526300000000 ] - [ 0.0000847000000000, -0.0001136600000000, -0.0005171100000000 ] - [ 0.0000762700000000, -0.0003725900000000, -0.0005837100000000 ] - [ 0.0001925900000000, 0.0004764900000000, -0.0002779900000000 ] - [ 0.0001792600000000, -0.0000255400000000, -0.0002726600000000 ] - [ 0.0004209900000000, -0.0006132100000000, -0.0000978500000000 ] - [ -0.0013326400000000, -0.0001563100000000, 0.0018267400000000 ] - [ 0.0767572900000000, 0.1740181900000000, 0.0914860000000000 ] - [ -0.0006298000000000, -0.0045885000000000, -0.0007663300000000 ] - [ -0.0010956100000000, 0.0006093400000000, -0.0004855600000000 ] - [ -0.0003550300000000, -0.0002942700000000, -0.0001046600000000 ] - [ -0.0001730600000000, 0.0000122800000000, -0.0003800700000000 ] - [ -0.0001603500000000, -0.0001741100000000, -0.0002933700000000 ] - [ -0.0000559900000000, 0.0002070900000000, 0.0000542800000000 ] - [ -0.0000886400000000, -0.0001404800000000, 0.0000176500000000 ] - [ 0.0001551100000000, 0.0017319500000000, -0.0009569300000000 ] - [ 0.0004705900000000, -0.0009985500000000, 0.0003841600000000 ] - [ 0.0019461400000000, -0.0010937800000000, -0.0028352800000000 ] - [ 0.0003040900000000, -0.0015815000000000, 0.0009329500000000 ] - [ 0.0017679000000000, 0.0009491500000000, 0.0017542100000000 ] - [ -0.0009717000000000, -0.0012791200000000, 0.0008168800000000 ] - [ -0.0003874600000000, -0.0000638400000000, 0.0003990200000000 ] - [ -0.0003350900000000, 0.0002311400000000, -0.0000896400000000 ] - [ -0.0002175100000000, -0.0003308400000000, -0.0002173600000000 ] - [ -0.0001786500000000, -0.0000230000000000, -0.0003361100000000 ] - [ 0.0007288400000000, -0.0003451100000000, 0.0008188900000000 ] - [ -0.0011598900000000, -0.0000058900000000, -0.0002194500000000 ] - [ 0.0005740400000000, -0.0000237600000000, -0.0006690900000000 ] - [ 0.0005001400000000, -0.0001891100000000, -0.0005753000000000 ] - [ -0.0012472400000000, 0.0106858800000000, 0.0001569800000000 ] - [ 0.0001760400000000, -0.0070625000000000, 0.0029642100000000 ] - [ 0.0002902600000000, -0.0006064000000000, -0.0009629200000000 ] - [ 0.0000661900000000, -0.0003489100000000, -0.0002148100000000 ] - [ -0.0000703800000000, 0.0001764400000000, -0.0002680500000000 ] - [ -0.0000122600000000, -0.0006264200000000, 0.0001141800000000 ] - [ -0.0003446800000000, 0.0005508300000000, -0.0006597800000000 ] - [ -0.0000798800000000, -0.0002226800000000, -0.0000062300000000 ] - [ 0.0008420200000000, 0.0018507400000000, 0.0007751400000000 ] - [ -0.0006002800000000, -0.0012852100000000, -0.0001422500000000 ] - [ 0.0003612000000000, 0.0002360500000000, -0.0000854000000000 ] - [ 0.0003536700000000, 0.0002348900000000, -0.0000648500000000 ] - [ 0.0025891600000000, -0.0000204100000000, 0.0021812500000000 ] - [ -0.0067753200000000, -0.0065858500000000, -0.0042556300000000 ] - [ 0.0001241500000000, 0.0002165100000000, 0.0001232200000000 ] - [ 0.0000952800000000, 0.0002171400000000, -0.0004024500000000 ] - [ 0.0000786600000000, -0.0002118800000000, -0.0002965300000000 ] - [ -0.0000836300000000, 0.0000686100000000, -0.0001900700000000 ] - [ -0.0001029000000000, -0.0009759700000000, 0.0005224600000000 ] - [ -0.0003621600000000, 0.0014909800000000, 0.0003054600000000 ] - [ 0.0005033100000000, -0.0009266800000000, -0.0001249500000000 ] - [ -0.0041003700000000, -0.0029937000000000, 0.0037893700000000 ] - [ 0.0012196800000000, -0.0014191600000000, -0.0008790000000000 ] - [ 0.0001744000000000, 0.0005270400000000, 0.0015781300000000 ] - [ -0.0000080800000000, -0.0001725500000000, -0.0005523500000000 ] - [ -0.0000153500000000, -0.0002082200000000, -0.0008212200000000 ] - [ -0.0198381900000000, -0.0360987300000000, -0.0204494400000000 ] - [ 0.0056890800000000, -0.0174163400000000, 0.0068981300000000 ]- atom: 79 displacement: [ -0.0009337289454915, 0.0000000000000000, 0.0099563120811047 ] forces: - [ 0.0002112000000000, -0.0000572300000000, -0.0010625600000000 ] - [ -0.0003961500000000, -0.0001111200000000, -0.0007162200000000 ] - [ -0.0011401800000000, 0.0008568500000000, -0.0025710300000000 ] - [ 0.0002411400000000, -0.0005380300000000, -0.0011665100000000 ] - [ 0.0001703900000000, 0.0002092200000000, -0.0009657500000000 ] - [ -0.0001723300000000, -0.0004797600000000, -0.0016558700000000 ] - [ 0.0003706700000000, 0.0018876400000000, 0.0008497400000000 ] - [ 0.0011169100000000, -0.0015158800000000, 0.0022879800000000 ] - [ 0.0001188400000000, -0.0025753700000000, -0.0010004900000000 ] - [ 0.0009550900000000, 0.0075686400000000, -0.0005580700000000 ] - [ -0.0000993100000000, -0.0000599700000000, -0.0014871800000000 ] - [ -0.0000542000000000, -0.0001938700000000, -0.0012975900000000 ] - [ 0.0001511900000000, 0.0000459700000000, -0.0012435200000000 ] - [ -0.0000128100000000, 0.0001555900000000, -0.0012121900000000 ] - [ -0.0003873200000000, -0.0008957100000000, -0.0017369900000000 ] - [ -0.0001523700000000, 0.0003333800000000, -0.0007334400000000 ] - [ 0.0000121400000000, -0.0001660000000000, -0.0010100900000000 ] - [ 0.0001096200000000, 0.0001698700000000, -0.0012327700000000 ] - [ 0.0013233900000000, 0.0008185700000000, 0.0047073300000000 ] - [ -0.0046437800000000, 0.0162072500000000, 0.0171587900000000 ] - [ 0.0006592600000000, 0.0002492000000000, -0.0020720000000000 ] - [ 0.0001903400000000, -0.0001731800000000, -0.0005325300000000 ] - [ -0.0193177900000000, 0.0052629900000000, 0.0122562700000000 ] - [ 0.0001958400000000, -0.0005976000000000, 0.0022090000000000 ] - [ 0.0002386500000000, 0.0000152000000000, -0.0019572200000000 ] - [ 0.0002161100000000, -0.0001778700000000, -0.0016262400000000 ] - [ 0.0004927800000000, -0.0006027800000000, -0.0001549400000000 ] - [ 0.0050521300000000, 0.0013305700000000, -0.0036807300000000 ] - [ -0.0002946200000000, 0.0004659400000000, -0.0021324900000000 ] - [ -0.0004709200000000, -0.0002588300000000, -0.0015263700000000 ] - [ 0.0010468600000000, -0.0050350900000000, 0.0019903700000000 ] - [ 0.0010435900000000, 0.0022114000000000, 0.0005631800000000 ] - [ -0.0001923000000000, 0.0002568800000000, -0.0017806000000000 ] - [ -0.0002110400000000, -0.0000219800000000, -0.0020537000000000 ] - [ 0.0499368600000000, 0.0366244200000000, 0.0875904000000000 ] - [ -0.0002725600000000, -0.0017590500000000, 0.0027813500000000 ] - [ -0.0031197400000000, 0.0010430400000000, 0.0009796200000000 ] - [ -0.0052707600000000, -0.0032177500000000, 0.0016937800000000 ] - [ 0.0002515200000000, -0.0009642000000000, -0.0029936400000000 ] - [ 0.0006291400000000, 0.0003652900000000, -0.0021391900000000 ] - [ -0.0001923000000000, 0.0002339700000000, 0.0003189000000000 ] - [ 0.0004704200000000, -0.0006338700000000, 0.0009002200000000 ] - [ 0.0003020500000000, 0.0001765400000000, 0.0004753200000000 ] - [ 0.0009546800000000, 0.0001985700000000, 0.0008846800000000 ] - [ -0.0005309900000000, -0.0001342600000000, -0.0003562900000000 ] - [ -0.0005380800000000, -0.0001290800000000, -0.0003790700000000 ] - [ -0.0063148800000000, -0.0006607900000000, -0.0015707000000000 ] - [ 0.0003660900000000, -0.0001300700000000, 0.0002924900000000 ] - [ 0.0000221100000000, -0.0004288000000000, -0.0001754600000000 ] - [ 0.0000117900000000, -0.0004538700000000, -0.0001384400000000 ] - [ -0.0002875100000000, 0.0005224100000000, -0.0000902700000000 ] - [ 0.0001913500000000, -0.0008570200000000, 0.0000255500000000 ] - [ 0.0000009700000000, 0.0002363200000000, -0.0002944000000000 ] - [ -0.0000002700000000, 0.0001105400000000, -0.0002099800000000 ] - [ 0.0000164700000000, 0.0005575800000000, -0.0002046400000000 ] - [ -0.0000298100000000, 0.0003429400000000, -0.0002433200000000 ] - [ -0.0003061900000000, -0.0004462100000000, 0.0005239200000000 ] - [ -0.0002109800000000, -0.0001757900000000, 0.0003670700000000 ] - [ 0.0008038800000000, -0.0003195500000000, 0.0003038200000000 ] - [ 0.0008795400000000, 0.0018848500000000, 0.0009949000000000 ] - [ -0.0001085700000000, 0.0004719100000000, 0.0016624100000000 ] - [ -0.0000942600000000, -0.0014114900000000, 0.0016220300000000 ] - [ 0.0002936700000000, 0.0002315900000000, -0.0010640600000000 ] - [ -0.0051578600000000, 0.0025636200000000, 0.0032746800000000 ] - [ 0.0001511800000000, 0.0003461100000000, 0.0011982900000000 ] - [ -0.0001152500000000, -0.0001883000000000, 0.0005678400000000 ] - [ -0.0000619700000000, 0.0002773500000000, 0.0005783400000000 ] - [ -0.0009983500000000, 0.0006905000000000, 0.0024326400000000 ] - [ -0.0136820400000000, -0.0036255100000000, -0.0101439300000000 ] - [ 0.0011947100000000, 0.0005283100000000, -0.0017820600000000 ] - [ 0.0003323900000000, 0.0004008800000000, 0.0007040000000000 ] - [ 0.0002117200000000, 0.0000446300000000, 0.0007381300000000 ] - [ 0.0000874800000000, 0.0001554300000000, 0.0011553200000000 ] - [ 0.0001272900000000, 0.0002170300000000, 0.0009173500000000 ] - [ 0.0003661200000000, 0.0002040300000000, 0.0011296100000000 ] - [ 0.0002232500000000, 0.0000922800000000, 0.0008102300000000 ] - [ -0.0010090200000000, 0.0013033000000000, 0.0003666200000000 ] - [ -0.0005636800000000, -0.0008426400000000, 0.0004926500000000 ] - [ -0.0430362600000000, -0.0834914900000000, -0.1279765800000000 ] - [ -0.0004213800000000, 0.0007358800000000, -0.0013716300000000 ] - [ 0.0036459700000000, 0.0003491600000000, 0.0012859000000000 ] - [ -0.0006093800000000, 0.0003138600000000, -0.0003480900000000 ] - [ -0.0000761700000000, -0.0004016700000000, 0.0007370700000000 ] - [ -0.0001196600000000, -0.0003171600000000, 0.0006052400000000 ] - [ 0.0000419200000000, 0.0002628000000000, 0.0016856500000000 ] - [ 0.0000487100000000, 0.0005610700000000, 0.0014890600000000 ] - [ -0.0020134500000000, 0.0000703300000000, 0.0036383500000000 ] - [ -0.0002133600000000, 0.0004957600000000, 0.0001688400000000 ] - [ -0.0024797100000000, 0.0045101900000000, 0.0030880600000000 ] - [ 0.0003005400000000, -0.0011808000000000, -0.0008102200000000 ] - [ 0.0013333700000000, -0.0005224700000000, -0.0012886500000000 ] - [ 0.0008018300000000, 0.0013387200000000, -0.0023714600000000 ] - [ -0.0006424500000000, 0.0000480800000000, 0.0010215400000000 ] - [ -0.0006436200000000, 0.0001983400000000, 0.0011260800000000 ] - [ -0.0002304100000000, -0.0002420000000000, 0.0008951900000000 ] - [ -0.0002229500000000, -0.0003514700000000, 0.0010773900000000 ] - [ 0.0007074200000000, -0.0002779300000000, -0.0001922500000000 ] - [ 0.0007150600000000, 0.0005821000000000, -0.0003271700000000 ] - [ -0.0000863900000000, -0.0000904000000000, 0.0006621200000000 ] - [ 0.0000051300000000, -0.0000357200000000, 0.0004854200000000 ] - [ 0.0289799000000000, 0.0043422000000000, 0.0201562600000000 ] - [ -0.0000896700000000, 0.0016374400000000, -0.0013594900000000 ] - [ -0.0001110000000000, 0.0003868000000000, 0.0011526600000000 ] - [ -0.0001039600000000, -0.0001181400000000, 0.0008255300000000 ] - [ -0.0002269600000000, -0.0009571200000000, 0.0015337900000000 ] - [ -0.0001694600000000, -0.0005506300000000, 0.0008142900000000 ] - [ -0.0000547300000000, -0.0001665700000000, 0.0010168500000000 ] - [ 0.0000539100000000, -0.0004112500000000, 0.0007103500000000 ] - [ -0.0015169500000000, -0.0007433200000000, 0.0000180500000000 ] - [ -0.0000569300000000, 0.0004874700000000, -0.0000157400000000 ] - [ 0.0005915000000000, 0.0001037900000000, 0.0006827800000000 ] - [ 0.0005752800000000, 0.0000923900000000, 0.0007010100000000 ] - [ 0.0009108700000000, -0.0015511700000000, -0.0001770100000000 ] - [ 0.0052974900000000, 0.0056058000000000, 0.0018098000000000 ] - [ 0.0003412500000000, -0.0003711200000000, 0.0009636400000000 ] - [ 0.0003954200000000, 0.0001463800000000, 0.0009695800000000 ] - [ 0.0001842200000000, -0.0001461400000000, 0.0005165200000000 ] - [ 0.0003072600000000, -0.0004213400000000, 0.0006832800000000 ] - [ 0.0004293700000000, -0.0007509700000000, -0.0010019200000000 ] - [ -0.0005593200000000, 0.0001060300000000, -0.0015990300000000 ] - [ -0.0005045100000000, 0.0012698800000000, -0.0022359800000000 ] - [ -0.0028935000000000, -0.0025123000000000, -0.0010461500000000 ] - [ 0.0001370400000000, 0.0009536800000000, 0.0001531600000000 ] - [ -0.0014946700000000, -0.0015937900000000, 0.0002843000000000 ] - [ 0.0002396400000000, 0.0001142200000000, 0.0006661900000000 ] - [ 0.0002477700000000, 0.0002308000000000, 0.0008188800000000 ] - [ 0.0076235500000000, 0.0135856800000000, -0.0046466900000000 ] - [ -0.0006682100000000, 0.0006460200000000, -0.0045270500000000 ]- atom: 79 displacement: [ 0.0009337289454915, 0.0000000000000000, -0.0099563120811047 ] forces: - [ -0.0003246600000000, 0.0001781000000000, 0.0007295100000000 ] - [ 0.0002798200000000, 0.0002330600000000, 0.0003804200000000 ] - [ 0.0012260800000000, -0.0009760900000000, 0.0023708800000000 ] - [ -0.0001635800000000, 0.0004252400000000, 0.0009526400000000 ] - [ -0.0001418200000000, -0.0001934400000000, 0.0011299100000000 ] - [ 0.0002040800000000, 0.0004985700000000, 0.0018230400000000 ] - [ -0.0002340700000000, -0.0017341200000000, -0.0005603000000000 ] - [ -0.0010003600000000, 0.0016511900000000, -0.0019700400000000 ] - [ -0.0000937500000000, 0.0025711300000000, 0.0012034900000000 ] - [ -0.0009257100000000, -0.0075563500000000, 0.0007337500000000 ] - [ 0.0000672000000000, 0.0000413300000000, 0.0013204400000000 ] - [ 0.0000216900000000, 0.0001758500000000, 0.0011305100000000 ] - [ -0.0002314900000000, 0.0000678300000000, 0.0014532000000000 ] - [ -0.0000666500000000, -0.0000412000000000, 0.0014233600000000 ] - [ 0.0002706100000000, 0.0007622800000000, 0.0014035700000000 ] - [ 0.0000376800000000, -0.0004626700000000, 0.0004056400000000 ] - [ 0.0001049300000000, 0.0000445300000000, 0.0013406300000000 ] - [ 0.0000120000000000, -0.0002904300000000, 0.0015642700000000 ] - [ -0.0014122500000000, -0.0009417600000000, -0.0045232000000000 ] - [ 0.0046858400000000, -0.0172142200000000, -0.0170973400000000 ] - [ -0.0005778800000000, -0.0001284300000000, 0.0018527700000000 ] - [ -0.0001136100000000, 0.0002981500000000, 0.0003249300000000 ] - [ 0.0189117700000000, -0.0051973700000000, -0.0126187600000000 ] - [ -0.0002324400000000, 0.0006161400000000, -0.0023775100000000 ] - [ -0.0001499400000000, -0.0002340700000000, 0.0021854200000000 ] - [ -0.0001240900000000, -0.0000381000000000, 0.0018566400000000 ] - [ 0.0002458400000000, 0.0006987500000000, -0.0000080000000000 ] - [ -0.0043499300000000, -0.0012388100000000, 0.0035198800000000 ] - [ -0.0004438100000000, -0.0005520300000000, 0.0022887300000000 ] - [ -0.0002662900000000, 0.0001671400000000, 0.0016781600000000 ] - [ -0.0011390900000000, 0.0047899300000000, -0.0022167200000000 ] - [ -0.0011285900000000, -0.0024164400000000, -0.0007811100000000 ] - [ 0.0001026300000000, -0.0000363500000000, 0.0015512100000000 ] - [ 0.0001136300000000, 0.0002413300000000, 0.0018218000000000 ] - [ -0.0487059900000000, -0.0357596900000000, -0.0875554000000000 ] - [ 0.0003722900000000, 0.0019637500000000, -0.0025709900000000 ] - [ 0.0024085400000000, -0.0009642800000000, -0.0008407500000000 ] - [ 0.0045264400000000, 0.0033138300000000, -0.0015445600000000 ] - [ 0.0004793500000000, 0.0008646000000000, 0.0028438900000000 ] - [ 0.0001162700000000, -0.0004563000000000, 0.0019828400000000 ] - [ 0.0001912600000000, 0.0007029700000000, -0.0002234600000000 ] - [ -0.0004544200000000, 0.0015392700000000, -0.0007985500000000 ] - [ -0.0007168200000000, 0.0001326400000000, -0.0005609200000000 ] - [ -0.0013684700000000, 0.0001131700000000, -0.0009698300000000 ] - [ 0.0001115900000000, -0.0001764400000000, 0.0002690300000000 ] - [ 0.0001204400000000, -0.0001805900000000, 0.0002917300000000 ] - [ 0.0066809100000000, 0.0003413600000000, 0.0016437800000000 ] - [ 0.0000596900000000, -0.0001797100000000, -0.0002040900000000 ] - [ -0.0000204000000000, -0.0005057300000000, 0.0002729600000000 ] - [ -0.0000122100000000, -0.0004828100000000, 0.0002348600000000 ] - [ 0.0002863900000000, -0.0014573400000000, -0.0000073600000000 ] - [ -0.0001919600000000, -0.0000780100000000, -0.0001243400000000 ] - [ 0.0004176400000000, 0.0000745000000000, 0.0003796500000000 ] - [ 0.0004181100000000, 0.0002002000000000, 0.0002952300000000 ] - [ -0.0000171200000000, 0.0003784700000000, 0.0001057100000000 ] - [ 0.0000301400000000, 0.0005946500000000, 0.0001451600000000 ] - [ -0.0004644300000000, -0.0000548000000000, -0.0007122100000000 ] - [ -0.0005593600000000, -0.0003279500000000, -0.0005532600000000 ] - [ -0.0009762000000000, 0.0009757500000000, 0.0000447200000000 ] - [ -0.0010483500000000, -0.0012430700000000, -0.0006513800000000 ] - [ -0.0000446400000000, -0.0007753700000000, -0.0012526800000000 ] - [ -0.0000639300000000, 0.0011013600000000, -0.0012047900000000 ] - [ -0.0001254900000000, 0.0004114800000000, 0.0007256800000000 ] - [ 0.0053756800000000, -0.0019427900000000, -0.0036425000000000 ] - [ -0.0002304300000000, -0.0005778400000000, -0.0010337700000000 ] - [ 0.0000288700000000, -0.0000496200000000, -0.0004039200000000 ] - [ -0.0000902200000000, 0.0000308400000000, -0.0001561100000000 ] - [ 0.0008517900000000, -0.0003852400000000, -0.0020176300000000 ] - [ 0.0144226300000000, 0.0037936900000000, 0.0094603600000000 ] - [ -0.0003926800000000, -0.0003306000000000, 0.0010888200000000 ] - [ -0.0000572800000000, -0.0004322700000000, -0.0006732600000000 ] - [ 0.0000516700000000, -0.0000704900000000, -0.0006982100000000 ] - [ 0.0000655400000000, -0.0004635300000000, -0.0015766700000000 ] - [ 0.0000241000000000, -0.0005239500000000, -0.0013368800000000 ] - [ 0.0000445000000000, 0.0002078700000000, -0.0011541700000000 ] - [ 0.0001865000000000, 0.0003192300000000, -0.0008334000000000 ] - [ 0.0001916400000000, -0.0014960300000000, 0.0003375100000000 ] - [ -0.0002384300000000, 0.0006434900000000, 0.0001999200000000 ] - [ 0.0413288700000000, 0.0839214400000000, 0.1281523300000000 ] - [ 0.0001040800000000, -0.0004484100000000, 0.0011385200000000 ] - [ -0.0043766400000000, 0.0001608900000000, -0.0014622600000000 ] - [ -0.0001658600000000, 0.0001801100000000, 0.0001531000000000 ] - [ -0.0002422200000000, 0.0001125800000000, -0.0009717900000000 ] - [ -0.0002002800000000, 0.0000266600000000, -0.0008392300000000 ] - [ -0.0001376600000000, -0.0000451200000000, -0.0009618700000000 ] - [ -0.0001454600000000, -0.0003447700000000, -0.0007650000000000 ] - [ 0.0019571800000000, 0.0001606000000000, -0.0035137400000000 ] - [ 0.0001381500000000, -0.0002649600000000, 0.0000014400000000 ] - [ 0.0028644000000000, -0.0048792700000000, -0.0030697800000000 ] - [ 0.0001116300000000, 0.0007607600000000, 0.0007843700000000 ] - [ -0.0012007500000000, 0.0008324900000000, 0.0008904400000000 ] - [ -0.0006513800000000, -0.0010372900000000, 0.0019591500000000 ] - [ -0.0001683100000000, 0.0001548800000000, -0.0003188900000000 ] - [ -0.0001627200000000, 0.0000009600000000, -0.0004293100000000 ] - [ -0.0001807000000000, -0.0001698200000000, -0.0008732400000000 ] - [ -0.0001874300000000, -0.0000606000000000, -0.0010553800000000 ] - [ -0.0004372700000000, 0.0003078800000000, 0.0002290400000000 ] - [ -0.0004388400000000, -0.0005546000000000, 0.0003606900000000 ] - [ 0.0008993200000000, -0.0001160700000000, -0.0013692100000000 ] - [ 0.0008058400000000, -0.0001644300000000, -0.0011884800000000 ] - [ -0.0285185500000000, -0.0045264100000000, -0.0189973700000000 ] - [ -0.0000101700000000, -0.0018587100000000, 0.0020838600000000 ] - [ 0.0002760000000000, -0.0010272300000000, -0.0014970800000000 ] - [ 0.0002768200000000, -0.0005202300000000, -0.0011680400000000 ] - [ 0.0000606100000000, 0.0003134600000000, -0.0011895100000000 ] - [ 0.0000100400000000, -0.0000962700000000, -0.0004730500000000 ] - [ -0.0002168300000000, 0.0001355400000000, -0.0010522100000000 ] - [ -0.0003346400000000, 0.0003809800000000, -0.0007438400000000 ] - [ 0.0012464400000000, 0.0007830700000000, -0.0000383000000000 ] - [ -0.0002197900000000, -0.0004668400000000, -0.0000218600000000 ] - [ 0.0001790800000000, 0.0003967500000000, -0.0004966000000000 ] - [ 0.0001938400000000, 0.0004124500000000, -0.0005193300000000 ] - [ -0.0008384600000000, 0.0018035400000000, 0.0000078200000000 ] - [ -0.0052283700000000, -0.0054015600000000, -0.0019931900000000 ] - [ -0.0000181000000000, 0.0006609600000000, -0.0007302900000000 ] - [ -0.0000702300000000, 0.0001408700000000, -0.0007351500000000 ] - [ -0.0001002100000000, -0.0000897800000000, -0.0006817400000000 ] - [ -0.0002283700000000, 0.0001884300000000, -0.0008514700000000 ] - [ 0.0003349300000000, 0.0002419200000000, 0.0011864900000000 ] - [ 0.0013206200000000, -0.0005897400000000, 0.0017867700000000 ] - [ 0.0006001900000000, -0.0010509200000000, 0.0015107000000000 ] - [ 0.0029759100000000, 0.0027184600000000, 0.0003170400000000 ] - [ 0.0001924800000000, -0.0012398600000000, 0.0000740900000000 ] - [ 0.0018099100000000, 0.0012947600000000, -0.0000456500000000 ] - [ -0.0001440300000000, -0.0003292800000000, -0.0013933900000000 ] - [ -0.0001508900000000, -0.0004465600000000, -0.0015409700000000 ] - [ -0.0080123400000000, -0.0131459400000000, 0.0045091200000000 ] - [ 0.0002532400000000, -0.0002130500000000, 0.0045296900000000 ]- atom: 85 displacement: [ 0.0099999541101204, 0.0000000000000000, -0.0000302951396548 ] forces: - [ -0.0010497500000000, 0.0039244200000000, -0.0044669500000000 ] - [ -0.0002362300000000, -0.0004437200000000, -0.0001434200000000 ] - [ -0.0024041600000000, -0.0011149800000000, 0.0030782500000000 ] - [ -0.0001384800000000, 0.0001235400000000, 0.0005764600000000 ] - [ 0.0075531500000000, -0.0177863700000000, -0.0028685200000000 ] - [ 0.0014314300000000, -0.0008318200000000, 0.0023248600000000 ] - [ 0.0002895100000000, -0.0002683900000000, -0.0003908300000000 ] - [ 0.0001572200000000, 0.0001972600000000, -0.0000373900000000 ] - [ 0.0000967800000000, -0.0000283100000000, -0.0000709600000000 ] - [ 0.0000739500000000, 0.0000392900000000, -0.0001221100000000 ] - [ -0.0067615200000000, -0.0005675400000000, 0.0006682300000000 ] - [ -0.0005407500000000, 0.0001478700000000, -0.0000447800000000 ] - [ 0.0021592300000000, 0.0047418100000000, -0.0023388500000000 ] - [ 0.0000097000000000, -0.0010265900000000, -0.0018970400000000 ] - [ -0.0006878600000000, -0.0001643700000000, -0.0002145700000000 ] - [ -0.0002231800000000, -0.0000260200000000, -0.0003767500000000 ] - [ 0.0003612200000000, -0.0007980100000000, 0.0008440400000000 ] - [ -0.0024192900000000, 0.0026791400000000, 0.0024960600000000 ] - [ -0.0000721600000000, -0.0001123500000000, 0.0000347700000000 ] - [ 0.0000197400000000, -0.0000968000000000, 0.0000154200000000 ] - [ 0.0001422900000000, 0.0000354200000000, -0.0006981100000000 ] - [ 0.0001571100000000, 0.0001049900000000, -0.0004832600000000 ] - [ -0.0000945100000000, 0.0000685700000000, -0.0004217400000000 ] - [ -0.0000380400000000, 0.0000057100000000, -0.0003093000000000 ] - [ 0.0594487800000000, 0.0099856900000000, 0.0296707800000000 ] - [ 0.0017405300000000, 0.0011542000000000, 0.0003217200000000 ] - [ 0.0011606000000000, -0.0003031000000000, -0.0001620500000000 ] - [ 0.0036932500000000, -0.0001198200000000, -0.0006797400000000 ] - [ -0.0019550700000000, -0.0003638200000000, -0.0008629900000000 ] - [ -0.0021441300000000, 0.0004848700000000, -0.0002463700000000 ] - [ -0.0001009400000000, -0.0000948600000000, -0.0005044300000000 ] - [ -0.0000920200000000, -0.0000938000000000, -0.0005232900000000 ] - [ -0.0066025700000000, 0.0024285400000000, -0.0007595900000000 ] - [ -0.0033244900000000, -0.0025024400000000, 0.0015648300000000 ] - [ 0.0002548600000000, 0.0000702600000000, -0.0001935800000000 ] - [ 0.0001315100000000, 0.0001090400000000, -0.0001302600000000 ] - [ -0.0008259700000000, -0.0007364700000000, -0.0010613800000000 ] - [ -0.0008161200000000, 0.0004887400000000, -0.0000503800000000 ] - [ 0.0023364600000000, -0.0012152500000000, 0.0004200700000000 ] - [ 0.0004053000000000, 0.0000673000000000, -0.0001421000000000 ] - [ 0.0000365700000000, 0.0004169800000000, 0.0000317200000000 ] - [ 0.0000198300000000, 0.0004673700000000, -0.0000201700000000 ] - [ -0.0003013500000000, 0.0001346000000000, -0.0001344900000000 ] - [ -0.0003094000000000, 0.0001572200000000, -0.0001293500000000 ] - [ -0.0016417300000000, -0.0002026800000000, -0.0002379300000000 ] - [ -0.0007974900000000, -0.0000936500000000, 0.0000553300000000 ] - [ 0.0002048900000000, -0.0001437900000000, 0.0000473800000000 ] - [ 0.0001749000000000, -0.0001570200000000, 0.0000051600000000 ] - [ -0.0013334000000000, -0.0022889700000000, 0.0011426000000000 ] - [ 0.0005316400000000, -0.0000846600000000, 0.0001069800000000 ] - [ -0.0000681000000000, -0.0003950200000000, -0.0001093200000000 ] - [ -0.0000259800000000, -0.0004529300000000, -0.0000907600000000 ] - [ -0.0100114700000000, 0.0009857400000000, -0.0096060600000000 ] - [ 0.0006279100000000, 0.0001117600000000, 0.0002268500000000 ] - [ -0.0012753400000000, -0.0049314600000000, -0.0000119900000000 ] - [ -0.0000307000000000, 0.0006278500000000, -0.0000322400000000 ] - [ 0.0251108200000000, -0.0016190800000000, 0.0130000700000000 ] - [ -0.0005270200000000, -0.0002521300000000, -0.0002223300000000 ] - [ 0.0016253100000000, 0.0010999800000000, 0.0013333900000000 ] - [ 0.0001402100000000, 0.0002468200000000, 0.0000313100000000 ] - [ -0.0004337200000000, 0.0000647600000000, 0.0001959100000000 ] - [ -0.0001123000000000, -0.0002575900000000, 0.0004512700000000 ] - [ -0.0001409900000000, 0.0004655800000000, -0.0001396000000000 ] - [ -0.0004918200000000, 0.0003044500000000, 0.0001436900000000 ] - [ -0.0009289700000000, -0.0001099400000000, 0.0004317000000000 ] - [ -0.0002225100000000, -0.0002606500000000, 0.0001323600000000 ] - [ -0.0005960600000000, 0.0009770900000000, 0.0014868800000000 ] - [ -0.0019211500000000, -0.0010084600000000, 0.0008288400000000 ] - [ 0.0001371500000000, 0.0001062100000000, -0.0000420800000000 ] - [ 0.0002544300000000, 0.0001058300000000, -0.0001993400000000 ] - [ 0.0009182400000000, 0.0002425900000000, 0.0000244100000000 ] - [ 0.0008483900000000, 0.0002292300000000, 0.0002168800000000 ] - [ 0.0017207300000000, 0.0002569600000000, 0.0003214800000000 ] - [ 0.0006411700000000, -0.0001937200000000, -0.0001918900000000 ] - [ 0.0034552400000000, 0.0024260100000000, -0.0010225800000000 ] - [ 0.0010094500000000, -0.0004587700000000, -0.0002068900000000 ] - [ -0.0003618700000000, -0.0001098000000000, 0.0004852500000000 ] - [ -0.0003745100000000, -0.0001378900000000, 0.0005125100000000 ] - [ -0.0001604000000000, 0.0001727300000000, -0.0000210300000000 ] - [ -0.0001395400000000, 0.0002059100000000, -0.0000093600000000 ] - [ -0.0002666400000000, 0.0001772500000000, -0.0000952400000000 ] - [ -0.0003319400000000, 0.0002603300000000, 0.0000209900000000 ] - [ 0.0071751100000000, -0.0012440600000000, 0.0292196700000000 ] - [ -0.0000763400000000, 0.0000513300000000, -0.0001397800000000 ] - [ -0.0828662800000000, 0.0109666200000000, -0.0385993300000000 ] - [ -0.0005651200000000, -0.0001100000000000, -0.0002571400000000 ] - [ -0.0014757000000000, 0.0009598000000000, -0.0010622700000000 ] - [ -0.0004997900000000, 0.0002629600000000, -0.0000969800000000 ] - [ 0.0002121900000000, -0.0001716300000000, 0.0002074000000000 ] - [ 0.0002035300000000, -0.0001708900000000, 0.0001694200000000 ] - [ 0.0001316500000000, 0.0001479400000000, 0.0001737700000000 ] - [ 0.0001917800000000, 0.0000518700000000, -0.0000536000000000 ] - [ 0.0039996000000000, 0.0019850800000000, -0.0003770200000000 ] - [ 0.0020085900000000, -0.0006992900000000, -0.0009088100000000 ] - [ -0.0016401500000000, -0.0030589400000000, 0.0002119800000000 ] - [ -0.0064942900000000, 0.0085602000000000, 0.0069149100000000 ] - [ 0.0003829600000000, 0.0002526300000000, 0.0003846200000000 ] - [ 0.0003934300000000, -0.0003477600000000, 0.0002168200000000 ] - [ -0.0002623200000000, -0.0072669100000000, -0.0258235100000000 ] - [ -0.0007375900000000, -0.0003861700000000, 0.0000310000000000 ] - [ -0.0000837300000000, -0.0001530400000000, 0.0005205200000000 ] - [ -0.0000367800000000, -0.0001032100000000, 0.0004594300000000 ] - [ -0.0011905200000000, 0.0000079300000000, 0.0002250100000000 ] - [ -0.0007097400000000, -0.0009856900000000, -0.0000746600000000 ] - [ 0.0002563200000000, -0.0004486200000000, 0.0006309100000000 ] - [ 0.0002035400000000, -0.0006720100000000, 0.0005489900000000 ] - [ 0.0000274700000000, 0.0011438700000000, -0.0017080300000000 ] - [ -0.0001515600000000, -0.0000568600000000, 0.0000284700000000 ] - [ -0.0017769300000000, -0.0003578900000000, 0.0009997100000000 ] - [ -0.0003043400000000, 0.0001001200000000, 0.0000507600000000 ] - [ 0.0017579200000000, 0.0019726800000000, -0.0011088200000000 ] - [ 0.0005101000000000, -0.0007362700000000, 0.0000102500000000 ] - [ 0.0005406600000000, 0.0005240700000000, 0.0000033700000000 ] - [ 0.0001552100000000, 0.0000448200000000, -0.0000608900000000 ] - [ 0.0083522200000000, -0.0039559800000000, -0.0020516400000000 ] - [ 0.0007367700000000, 0.0006232600000000, -0.0003940600000000 ] - [ 0.0013043800000000, -0.0012187500000000, 0.0006464500000000 ] - [ 0.0007538200000000, 0.0000553200000000, 0.0004593400000000 ] - [ 0.0003958400000000, -0.0001705700000000, 0.0002213300000000 ] - [ 0.0004238000000000, -0.0002524700000000, 0.0002218800000000 ] - [ 0.0001011500000000, 0.0000442800000000, -0.0000805500000000 ] - [ 0.0001004700000000, -0.0000021700000000, -0.0000603600000000 ] - [ 0.0001159100000000, -0.0001067000000000, 0.0002978500000000 ] - [ 0.0001391200000000, -0.0001018000000000, 0.0003069200000000 ] - [ 0.0021971900000000, -0.0008547400000000, -0.0005385200000000 ] - [ 0.0008135200000000, 0.0002284400000000, -0.0006212600000000 ] - [ -0.0002414900000000, 0.0002243500000000, 0.0001573700000000 ] - [ -0.0002194500000000, 0.0001779900000000, 0.0001740100000000 ]- atom: 85 displacement: [ -0.0099999541101204, 0.0000000000000000, 0.0000302951396548 ] forces: - [ 0.0009271900000000, -0.0037515300000000, 0.0040934000000000 ] - [ 0.0001156400000000, 0.0005601800000000, -0.0001895000000000 ] - [ 0.0024783200000000, 0.0010022000000000, -0.0032817200000000 ] - [ 0.0002123100000000, -0.0002411200000000, -0.0007663200000000 ] - [ -0.0072627900000000, 0.0177773500000000, 0.0031113900000000 ] - [ -0.0013957600000000, 0.0008394800000000, -0.0020989400000000 ] - [ -0.0001618800000000, 0.0004012300000000, 0.0007078500000000 ] - [ -0.0000323800000000, -0.0000578500000000, 0.0003599200000000 ] - [ -0.0000601300000000, 0.0000154300000000, 0.0002410300000000 ] - [ -0.0000386400000000, -0.0000506200000000, 0.0002918700000000 ] - [ 0.0067031500000000, 0.0005512000000000, -0.0008036800000000 ] - [ 0.0004930000000000, -0.0001676500000000, -0.0001186400000000 ] - [ -0.0022437700000000, -0.0046157500000000, 0.0025171300000000 ] - [ -0.0000996100000000, 0.0011148100000000, 0.0020553000000000 ] - [ 0.0005678400000000, 0.0000331300000000, -0.0001237100000000 ] - [ 0.0001017300000000, -0.0001139500000000, 0.0000410900000000 ] - [ -0.0002319400000000, 0.0006702400000000, -0.0005115200000000 ] - [ 0.0025739800000000, -0.0028323900000000, -0.0021910700000000 ] - [ -0.0000071000000000, -0.0000126000000000, 0.0001475700000000 ] - [ -0.0000966500000000, -0.0000239200000000, 0.0001669800000000 ] - [ -0.0000657400000000, 0.0000870300000000, 0.0004969200000000 ] - [ -0.0000836800000000, 0.0000157200000000, 0.0002846000000000 ] - [ 0.0000562500000000, -0.0000534500000000, 0.0002304600000000 ] - [ -0.0000003000000000, 0.0000084200000000, 0.0001204200000000 ] - [ -0.0586996800000000, -0.0097950900000000, -0.0281654200000000 ] - [ -0.0015756200000000, -0.0013457700000000, -0.0000839900000000 ] - [ -0.0004176000000000, 0.0004095200000000, 0.0000296600000000 ] - [ -0.0029424000000000, 0.0002603700000000, 0.0005414200000000 ] - [ 0.0011985100000000, 0.0002621700000000, 0.0009997100000000 ] - [ 0.0013923700000000, -0.0005867300000000, 0.0003881600000000 ] - [ -0.0000447500000000, -0.0001021600000000, 0.0002655300000000 ] - [ -0.0000591000000000, -0.0001031200000000, 0.0002872000000000 ] - [ 0.0064512500000000, -0.0022509600000000, 0.0005785300000000 ] - [ 0.0031496700000000, 0.0027325300000000, -0.0017642300000000 ] - [ -0.0001043300000000, 0.0001267000000000, 0.0004002000000000 ] - [ 0.0000196800000000, 0.0000853000000000, 0.0003411400000000 ] - [ 0.0000795400000000, 0.0008321500000000, 0.0011719300000000 ] - [ 0.0000610600000000, -0.0003730600000000, 0.0001834400000000 ] - [ -0.0016037900000000, 0.0011194900000000, -0.0005757600000000 ] - [ 0.0003529400000000, -0.0001943700000000, -0.0000166800000000 ] - [ -0.0000204200000000, 0.0004902100000000, 0.0000656200000000 ] - [ -0.0000041300000000, 0.0004414000000000, 0.0001166500000000 ] - [ -0.0001533000000000, 0.0001714100000000, 0.0000305700000000 ] - [ -0.0001447700000000, 0.0001493200000000, 0.0000257400000000 ] - [ 0.0011949300000000, -0.0001060900000000, 0.0001442200000000 ] - [ 0.0003536200000000, -0.0002100900000000, -0.0001504700000000 ] - [ 0.0002447200000000, -0.0001621600000000, 0.0000510600000000 ] - [ 0.0002749100000000, -0.0001498400000000, 0.0000934500000000 ] - [ 0.0013686000000000, 0.0014105500000000, -0.0010320900000000 ] - [ -0.0005170500000000, -0.0008256600000000, -0.0000100300000000 ] - [ 0.0000539300000000, -0.0005145200000000, 0.0000100100000000 ] - [ 0.0000107900000000, -0.0004557800000000, -0.0000087800000000 ] - [ 0.0105445800000000, -0.0007139400000000, 0.0096289500000000 ] - [ -0.0001693400000000, 0.0001934100000000, -0.0001213300000000 ] - [ 0.0012692400000000, 0.0057992300000000, -0.0000762300000000 ] - [ 0.0000188800000000, 0.0002857900000000, -0.0000642000000000 ] - [ -0.0252241000000000, 0.0010479700000000, -0.0128678400000000 ] - [ -0.0002587300000000, -0.0002415800000000, 0.0000200700000000 ] - [ -0.0017821500000000, -0.0004153800000000, -0.0009347500000000 ] - [ -0.0003139400000000, 0.0004235700000000, 0.0003453200000000 ] - [ 0.0002513600000000, -0.0003928500000000, 0.0002513100000000 ] - [ -0.0000755900000000, -0.0000677700000000, -0.0000076900000000 ] - [ 0.0003079600000000, 0.0002135000000000, -0.0002327500000000 ] - [ 0.0006593600000000, 0.0003633600000000, -0.0005124300000000 ] - [ 0.0008823300000000, -0.0000922200000000, -0.0002717500000000 ] - [ 0.0001733700000000, 0.0000613900000000, 0.0000267100000000 ] - [ 0.0004104800000000, -0.0006460500000000, -0.0010650400000000 ] - [ 0.0017244000000000, 0.0013203400000000, -0.0004114500000000 ] - [ 0.0005601100000000, 0.0001074700000000, -0.0005754700000000 ] - [ 0.0004416300000000, 0.0001088200000000, -0.0004207100000000 ] - [ -0.0005911700000000, -0.0002378300000000, 0.0000248800000000 ] - [ -0.0005185300000000, -0.0002209200000000, -0.0001622300000000 ] - [ -0.0015331400000000, -0.0005815400000000, -0.0007610700000000 ] - [ -0.0004528500000000, -0.0001295000000000, -0.0002506000000000 ] - [ -0.0030677800000000, -0.0020775400000000, 0.0009682800000000 ] - [ -0.0005999600000000, 0.0008463900000000, 0.0001481200000000 ] - [ -0.0003474900000000, -0.0001057000000000, 0.0001499200000000 ] - [ -0.0003296200000000, -0.0000775500000000, 0.0001205600000000 ] - [ -0.0001381800000000, 0.0001412900000000, -0.0001902000000000 ] - [ -0.0001593600000000, 0.0001096200000000, -0.0002008400000000 ] - [ -0.0005112700000000, 0.0003190800000000, -0.0000947000000000 ] - [ -0.0004470400000000, 0.0002312000000000, -0.0002128800000000 ] - [ -0.0074890200000000, 0.0009983000000000, -0.0297809500000000 ] - [ -0.0002196500000000, -0.0003523100000000, -0.0000825700000000 ] - [ 0.0811736000000000, -0.0111964300000000, 0.0380561200000000 ] - [ 0.0004454300000000, 0.0003069700000000, 0.0008750200000000 ] - [ 0.0014266400000000, -0.0007652000000000, 0.0012265200000000 ] - [ 0.0004564400000000, -0.0000591500000000, 0.0002564800000000 ] - [ 0.0001928300000000, -0.0001996600000000, -0.0002385100000000 ] - [ 0.0002008800000000, -0.0002046000000000, -0.0002001800000000 ] - [ 0.0000547400000000, 0.0001740300000000, -0.0005956400000000 ] - [ -0.0000005900000000, 0.0002699300000000, -0.0003736000000000 ] - [ -0.0046918700000000, -0.0017461300000000, 0.0009972000000000 ] - [ -0.0026954600000000, 0.0008916000000000, 0.0015230000000000 ] - [ 0.0012382800000000, 0.0026737200000000, -0.0001877900000000 ] - [ 0.0061548400000000, -0.0089001100000000, -0.0068215000000000 ] - [ -0.0000521200000000, -0.0002565400000000, -0.0003236200000000 ] - [ -0.0000599900000000, 0.0003344500000000, -0.0001570400000000 ] - [ 0.0009341900000000, 0.0070826300000000, 0.0250783800000000 ] - [ 0.0014405800000000, 0.0001731800000000, -0.0006610900000000 ] - [ -0.0000292400000000, -0.0000441700000000, 0.0001194900000000 ] - [ -0.0000774000000000, -0.0000924100000000, 0.0001780100000000 ] - [ 0.0013582800000000, -0.0006845600000000, -0.0005914400000000 ] - [ 0.0008781000000000, 0.0003298900000000, -0.0002801900000000 ] - [ -0.0004263900000000, -0.0002265400000000, -0.0002571600000000 ] - [ -0.0003703900000000, -0.0000023600000000, -0.0001759500000000 ] - [ -0.0003537700000000, -0.0011500700000000, 0.0016749300000000 ] - [ -0.0001845500000000, 0.0000692600000000, -0.0000815900000000 ] - [ 0.0014333400000000, 0.0003405700000000, -0.0010429900000000 ] - [ -0.0000262500000000, -0.0001089100000000, -0.0001051900000000 ] - [ -0.0009896800000000, -0.0014890000000000, 0.0012871200000000 ] - [ 0.0002574600000000, 0.0012382400000000, 0.0001742900000000 ] - [ -0.0004851100000000, -0.0003151100000000, -0.0001494800000000 ] - [ -0.0001021500000000, 0.0001573500000000, -0.0000883900000000 ] - [ -0.0081160800000000, 0.0043236800000000, 0.0022956200000000 ] - [ -0.0004216900000000, -0.0003109500000000, 0.0005999100000000 ] - [ -0.0012455200000000, 0.0010134600000000, -0.0007983500000000 ] - [ -0.0006955800000000, -0.0002614600000000, -0.0006108600000000 ] - [ 0.0003851200000000, -0.0003176400000000, -0.0000194800000000 ] - [ 0.0003572900000000, -0.0002371000000000, -0.0000212000000000 ] - [ 0.0000149700000000, 0.0001496400000000, -0.0005392000000000 ] - [ 0.0000150400000000, 0.0001934600000000, -0.0005629900000000 ] - [ 0.0001829400000000, -0.0002021100000000, -0.0000765400000000 ] - [ 0.0001635700000000, -0.0002095000000000, -0.0000842500000000 ] - [ -0.0020803000000000, 0.0006578900000000, -0.0001113000000000 ] - [ -0.0006967600000000, -0.0004328300000000, -0.0000277600000000 ] - [ -0.0001622900000000, 0.0001484800000000, -0.0001128400000000 ] - [ -0.0001847800000000, 0.0001947900000000, -0.0001300300000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008669400000000, 0.0008987200000000, 0.0004631000000000 ] - [ -0.0014121000000000, -0.0009647600000000, -0.0008799100000000 ] - [ 0.0003924400000000, 0.0035295300000000, -0.0006276300000000 ] - [ 0.0004394200000000, -0.0020953200000000, 0.0002926700000000 ] - [ -0.0142661600000000, 0.0608907100000000, 0.0145537700000000 ] - [ -0.0007964600000000, -0.0077487300000000, 0.0060610600000000 ] - [ -0.0001190600000000, 0.0009894100000000, -0.0004645700000000 ] - [ 0.0001722400000000, -0.0010740400000000, -0.0002933300000000 ] - [ -0.0000108900000000, 0.0000394500000000, -0.0004157600000000 ] - [ -0.0000567000000000, 0.0000884400000000, -0.0005287800000000 ] - [ -0.0003591400000000, 0.0024022300000000, 0.0005039100000000 ] - [ -0.0002148800000000, -0.0017690800000000, 0.0009022700000000 ] - [ 0.0004818700000000, 0.0020575000000000, 0.0034357300000000 ] - [ -0.0022840700000000, -0.0053478300000000, -0.0071893500000000 ] - [ 0.0001523600000000, 0.0004150300000000, -0.0004990600000000 ] - [ 0.0001206300000000, -0.0004410900000000, -0.0005704500000000 ] - [ -0.0000158200000000, -0.0004928800000000, 0.0012666800000000 ] - [ 0.0018725300000000, -0.0007953200000000, -0.0013605300000000 ] - [ 0.0003707800000000, -0.0000421700000000, -0.0008980700000000 ] - [ -0.0003271500000000, -0.0001320400000000, 0.0000457000000000 ] - [ 0.0000220300000000, 0.0002426600000000, -0.0007156500000000 ] - [ -0.0002113600000000, -0.0001858100000000, -0.0004270400000000 ] - [ -0.0001036400000000, 0.0001644700000000, -0.0005810800000000 ] - [ 0.0000228600000000, -0.0000640600000000, -0.0005604600000000 ] - [ 0.0078295700000000, 0.0929309800000000, 0.0912067700000000 ] - [ -0.0012572100000000, -0.0122623700000000, 0.0005138000000000 ] - [ 0.0030715800000000, -0.0028333900000000, -0.0070935600000000 ] - [ -0.0013031200000000, 0.0036763200000000, 0.0047072000000000 ] - [ -0.0018372600000000, 0.0015984500000000, -0.0000919500000000 ] - [ -0.0001462500000000, -0.0005325800000000, 0.0006438500000000 ] - [ -0.0001131200000000, 0.0000597800000000, -0.0007345700000000 ] - [ -0.0000721400000000, -0.0002927400000000, -0.0008501400000000 ] - [ 0.0046624300000000, -0.0034245400000000, 0.0047182500000000 ] - [ -0.0017524000000000, 0.0001752600000000, 0.0010057800000000 ] - [ 0.0001044100000000, 0.0004797200000000, -0.0004949400000000 ] - [ 0.0002680900000000, -0.0003262400000000, -0.0007858800000000 ] - [ -0.0004267400000000, 0.0009656900000000, -0.0006428600000000 ] - [ -0.0003520400000000, -0.0007455000000000, -0.0003651600000000 ] - [ -0.0001224000000000, 0.0016020500000000, -0.0007843100000000 ] - [ 0.0008873300000000, -0.0021915300000000, -0.0018318800000000 ] - [ 0.0000064500000000, 0.0003791400000000, -0.0001099500000000 ] - [ 0.0000304300000000, 0.0004693200000000, 0.0000501400000000 ] - [ -0.0004253900000000, 0.0001427200000000, -0.0001933900000000 ] - [ -0.0003328300000000, 0.0001354800000000, -0.0001622000000000 ] - [ -0.0000812500000000, -0.0002080100000000, 0.0001062900000000 ] - [ 0.0000793000000000, -0.0001301200000000, 0.0001910500000000 ] - [ 0.0001487800000000, -0.0001356300000000, -0.0000833000000000 ] - [ 0.0001751100000000, -0.0001821900000000, -0.0000832300000000 ] - [ 0.0007546500000000, 0.0021753300000000, 0.0014172100000000 ] - [ -0.0002346500000000, -0.0015794900000000, -0.0000744800000000 ] - [ 0.0000000300000000, -0.0004256600000000, -0.0001505400000000 ] - [ 0.0000066600000000, -0.0004414800000000, -0.0000960200000000 ] - [ -0.0007877900000000, 0.0082927400000000, 0.0013699300000000 ] - [ 0.0004695100000000, -0.0004145600000000, 0.0003649600000000 ] - [ -0.0008134400000000, 0.0017421300000000, -0.0004419900000000 ] - [ -0.0002212800000000, -0.0001718900000000, -0.0000691700000000 ] - [ -0.0007012300000000, -0.0055111500000000, -0.0004898800000000 ] - [ -0.0002954300000000, 0.0008806100000000, -0.0004958900000000 ] - [ -0.0002645200000000, -0.0001976800000000, 0.0002899300000000 ] - [ -0.0000297300000000, 0.0010322100000000, 0.0004994200000000 ] - [ -0.0000086400000000, -0.0005717900000000, 0.0006385400000000 ] - [ -0.0002879200000000, -0.0000460100000000, 0.0011602100000000 ] - [ -0.0004860900000000, -0.0002191200000000, 0.0018136400000000 ] - [ 0.0006126400000000, 0.0005706100000000, -0.0014562500000000 ] - [ 0.0000740400000000, -0.0004966600000000, 0.0003395900000000 ] - [ 0.0002813000000000, 0.0005371100000000, 0.0005207700000000 ] - [ -0.0007319100000000, 0.0075991100000000, 0.0087278100000000 ] - [ -0.0007086100000000, 0.0015499500000000, -0.0062778700000000 ] - [ 0.0002586500000000, -0.0000954600000000, -0.0001091200000000 ] - [ 0.0000260800000000, 0.0002553400000000, 0.0002773400000000 ] - [ 0.0000977100000000, -0.0000949400000000, -0.0002660300000000 ] - [ 0.0003347200000000, -0.0000167600000000, 0.0002545200000000 ] - [ -0.0000237800000000, -0.0008044400000000, -0.0006346800000000 ] - [ 0.0001376100000000, 0.0001050600000000, -0.0006084900000000 ] - [ 0.0013246800000000, -0.0007741600000000, -0.0008760700000000 ] - [ -0.0002276900000000, 0.0022795300000000, -0.0009778300000000 ] - [ -0.0004663000000000, -0.0001747100000000, 0.0005339500000000 ] - [ -0.0004980100000000, -0.0000390600000000, 0.0006674100000000 ] - [ -0.0000824800000000, 0.0000537400000000, 0.0000418600000000 ] - [ -0.0001964000000000, 0.0004012300000000, 0.0003306000000000 ] - [ -0.0003874200000000, 0.0002140400000000, 0.0002000700000000 ] - [ -0.0004110600000000, 0.0002859600000000, 0.0000931700000000 ] - [ -0.0030822500000000, -0.0109755900000000, -0.0047774200000000 ] - [ -0.0011174200000000, 0.0067985700000000, -0.0019692800000000 ] - [ 0.0115942000000000, -0.1841186900000000, -0.1396194300000000 ] - [ -0.0002540000000000, 0.0041688800000000, 0.0007786800000000 ] - [ 0.0008451500000000, -0.0013831100000000, -0.0004354200000000 ] - [ -0.0013984700000000, 0.0015127500000000, 0.0008927700000000 ] - [ 0.0002453800000000, -0.0002851600000000, 0.0003555700000000 ] - [ 0.0002048500000000, -0.0000399200000000, 0.0003316800000000 ] - [ 0.0000846000000000, -0.0002463800000000, 0.0003762700000000 ] - [ 0.0001957700000000, 0.0003112300000000, 0.0000313600000000 ] - [ -0.0025598300000000, 0.0003996100000000, 0.0002465100000000 ] - [ 0.0003553900000000, 0.0001595900000000, -0.0003173400000000 ] - [ -0.0009078600000000, 0.0140224200000000, -0.0077370900000000 ] - [ 0.0112956600000000, 0.0279325700000000, 0.0308567400000000 ] - [ 0.0004621800000000, -0.0006644900000000, 0.0006431600000000 ] - [ 0.0001063400000000, 0.0004561200000000, -0.0001744300000000 ] - [ -0.0006644800000000, -0.0093039100000000, 0.0084154600000000 ] - [ 0.0015717600000000, 0.0023421400000000, -0.0010874700000000 ] - [ 0.0000097000000000, -0.0003091900000000, 0.0007742500000000 ] - [ -0.0000405000000000, -0.0001420100000000, 0.0008467500000000 ] - [ 0.0003698600000000, -0.0013309500000000, -0.0007558900000000 ] - [ -0.0010641600000000, 0.0012836900000000, 0.0021551500000000 ] - [ 0.0000510900000000, -0.0010191700000000, 0.0006525400000000 ] - [ -0.0000532300000000, -0.0000223000000000, 0.0000434400000000 ] - [ -0.0003742600000000, -0.0008787700000000, 0.0011005100000000 ] - [ -0.0005603500000000, 0.0007002100000000, -0.0000075700000000 ] - [ -0.0006212400000000, -0.0014743900000000, -0.0008052700000000 ] - [ 0.0008781500000000, 0.0023160500000000, 0.0022730300000000 ] - [ 0.0005164100000000, -0.0005480200000000, -0.0015493000000000 ] - [ -0.0001796600000000, 0.0009578300000000, 0.0002478100000000 ] - [ -0.0001119600000000, -0.0001227700000000, 0.0003284600000000 ] - [ 0.0002436600000000, 0.0003829900000000, 0.0000342100000000 ] - [ -0.0102939600000000, 0.0032732100000000, 0.0017920400000000 ] - [ 0.0014548600000000, 0.0011830200000000, -0.0009213100000000 ] - [ -0.0002980600000000, -0.0000311500000000, -0.0005102700000000 ] - [ 0.0018747300000000, -0.0007717100000000, 0.0011862300000000 ] - [ 0.0005592700000000, -0.0001628800000000, 0.0004635500000000 ] - [ 0.0004283800000000, -0.0001407600000000, 0.0002077400000000 ] - [ 0.0001474800000000, -0.0000003400000000, 0.0000995900000000 ] - [ 0.0001031500000000, -0.0000007200000000, 0.0000932800000000 ] - [ 0.0002340200000000, -0.0000888700000000, 0.0003506400000000 ] - [ 0.0002329800000000, -0.0000495200000000, 0.0004690100000000 ] - [ -0.0007146600000000, -0.0006890800000000, -0.0021396300000000 ] - [ 0.0003742300000000, 0.0003206500000000, -0.0008914400000000 ] - [ -0.0001816800000000, -0.0000217700000000, 0.0004931800000000 ] - [ -0.0002531300000000, 0.0004853200000000, 0.0002932700000000 ]- atom: 85 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009939700000000, -0.0007920200000000, -0.0007818600000000 ] - [ 0.0012817900000000, 0.0010842900000000, 0.0005434400000000 ] - [ -0.0003045400000000, -0.0036360900000000, 0.0004305000000000 ] - [ -0.0003557400000000, 0.0019794100000000, -0.0004968300000000 ] - [ 0.0130388100000000, -0.0569994200000000, -0.0131951200000000 ] - [ 0.0008411200000000, 0.0077778700000000, -0.0059113800000000 ] - [ 0.0002358400000000, -0.0008597400000000, 0.0007901000000000 ] - [ -0.0000530800000000, 0.0012034900000000, 0.0006193700000000 ] - [ 0.0000487500000000, -0.0000485800000000, 0.0005826600000000 ] - [ 0.0000953200000000, -0.0001015300000000, 0.0006989800000000 ] - [ 0.0002805300000000, -0.0024245700000000, -0.0006527300000000 ] - [ 0.0001875700000000, 0.0017544900000000, -0.0010735400000000 ] - [ -0.0005491500000000, -0.0018759100000000, -0.0032207800000000 ] - [ 0.0022055400000000, 0.0054640400000000, 0.0074441100000000 ] - [ -0.0002663400000000, -0.0005391000000000, 0.0001607700000000 ] - [ -0.0002404300000000, 0.0003070700000000, 0.0002378400000000 ] - [ 0.0001331400000000, 0.0003813200000000, -0.0009244300000000 ] - [ -0.0017204200000000, 0.0006273600000000, 0.0016655900000000 ] - [ -0.0004470800000000, -0.0000796900000000, 0.0010940000000000 ] - [ 0.0002502900000000, 0.0000088900000000, 0.0001506600000000 ] - [ 0.0000549800000000, -0.0001239700000000, 0.0005066700000000 ] - [ 0.0002899300000000, 0.0003094700000000, 0.0002249000000000 ] - [ 0.0000650900000000, -0.0001540700000000, 0.0004033600000000 ] - [ -0.0000626700000000, 0.0000770900000000, 0.0003817000000000 ] - [ -0.0079829100000000, -0.0927031100000000, -0.0928102500000000 ] - [ 0.0013680500000000, 0.0120282300000000, -0.0002897900000000 ] - [ -0.0023178900000000, 0.0029212900000000, 0.0069305500000000 ] - [ 0.0020626400000000, -0.0035943000000000, -0.0048756400000000 ] - [ 0.0010951600000000, -0.0017141800000000, 0.0002360200000000 ] - [ -0.0006057600000000, 0.0004461000000000, -0.0004832500000000 ] - [ -0.0000162300000000, -0.0002661400000000, 0.0004931800000000 ] - [ -0.0000632800000000, 0.0000842800000000, 0.0006142400000000 ] - [ -0.0047779300000000, 0.0036355000000000, -0.0049290300000000 ] - [ 0.0016289200000000, 0.0000105800000000, -0.0012416800000000 ] - [ 0.0000290300000000, -0.0002727900000000, 0.0007156400000000 ] - [ -0.0001325900000000, 0.0005297500000000, 0.0010089900000000 ] - [ -0.0003236900000000, -0.0008641000000000, 0.0007951800000000 ] - [ -0.0004038700000000, 0.0008440400000000, 0.0005193000000000 ] - [ 0.0008584500000000, -0.0016783600000000, 0.0006146200000000 ] - [ -0.0001306500000000, 0.0020877100000000, 0.0016791900000000 ] - [ 0.0000081900000000, 0.0005195900000000, 0.0002146900000000 ] - [ -0.0000158700000000, 0.0004295300000000, 0.0000546500000000 ] - [ -0.0000370700000000, 0.0001602200000000, 0.0000947200000000 ] - [ -0.0001289700000000, 0.0001673000000000, 0.0000635300000000 ] - [ -0.0003793500000000, -0.0000955300000000, -0.0002036300000000 ] - [ -0.0005340900000000, -0.0001730500000000, -0.0002874000000000 ] - [ 0.0003085900000000, -0.0001683700000000, 0.0001788800000000 ] - [ 0.0002850100000000, -0.0001217700000000, 0.0001795900000000 ] - [ -0.0007256100000000, -0.0030398800000000, -0.0013019000000000 ] - [ 0.0002389700000000, 0.0006716800000000, 0.0001779800000000 ] - [ -0.0000129300000000, -0.0004771600000000, 0.0000453300000000 ] - [ -0.0000217700000000, -0.0004573400000000, -0.0000103200000000 ] - [ 0.0012997500000000, -0.0079206700000000, -0.0012098500000000 ] - [ -0.0000159300000000, 0.0007158000000000, -0.0002686300000000 ] - [ 0.0007893400000000, -0.0008181000000000, 0.0003342800000000 ] - [ 0.0002056100000000, 0.0010702100000000, -0.0000352300000000 ] - [ -0.0001743100000000, 0.0050235800000000, 0.0002503100000000 ] - [ -0.0004890600000000, -0.0013604200000000, 0.0003195000000000 ] - [ 0.0000984000000000, 0.0008571700000000, 0.0000624200000000 ] - [ -0.0001400100000000, -0.0003781500000000, -0.0001456800000000 ] - [ -0.0001712600000000, 0.0002436200000000, -0.0001986400000000 ] - [ 0.0000982800000000, -0.0002694400000000, -0.0007381700000000 ] - [ 0.0006418400000000, 0.0008825900000000, -0.0021615500000000 ] - [ -0.0004601000000000, 0.0000913000000000, 0.0011095600000000 ] - [ -0.0001481300000000, 0.0002772800000000, -0.0001809200000000 ] - [ -0.0003583300000000, -0.0007537300000000, -0.0003701600000000 ] - [ 0.0005586300000000, -0.0072006900000000, -0.0082291900000000 ] - [ 0.0005430300000000, -0.0012587800000000, 0.0067746000000000 ] - [ 0.0004736000000000, 0.0003118600000000, -0.0005383100000000 ] - [ 0.0007043000000000, -0.0000386000000000, -0.0009239400000000 ] - [ 0.0002034400000000, 0.0000751100000000, 0.0003035800000000 ] - [ -0.0000472600000000, 0.0000269900000000, -0.0001927100000000 ] - [ 0.0002051700000000, 0.0004936000000000, 0.0002132800000000 ] - [ 0.0000461700000000, -0.0004292600000000, 0.0001707100000000 ] - [ -0.0009152300000000, 0.0011719400000000, 0.0008415400000000 ] - [ 0.0006333500000000, -0.0019014700000000, 0.0009514400000000 ] - [ -0.0002796100000000, -0.0000519200000000, 0.0001314300000000 ] - [ -0.0002334100000000, -0.0001736700000000, -0.0000176300000000 ] - [ -0.0002277900000000, 0.0002468600000000, -0.0002554300000000 ] - [ -0.0001119200000000, -0.0001016300000000, -0.0005458400000000 ] - [ -0.0004021600000000, 0.0002668900000000, -0.0003742500000000 ] - [ -0.0003804400000000, 0.0001799200000000, -0.0002857300000000 ] - [ 0.0028552500000000, 0.0106708200000000, 0.0047091700000000 ] - [ 0.0007974800000000, -0.0070940300000000, 0.0017458000000000 ] - [ -0.0097592900000000, 0.1801745700000000, 0.1411586000000000 ] - [ 0.0001396200000000, -0.0039580400000000, -0.0001159200000000 ] - [ -0.0009263300000000, 0.0016007600000000, 0.0005870400000000 ] - [ 0.0013167900000000, -0.0012912700000000, -0.0007367600000000 ] - [ 0.0001659100000000, -0.0001010000000000, -0.0003788200000000 ] - [ 0.0002048400000000, -0.0003453400000000, -0.0003535000000000 ] - [ 0.0001026200000000, 0.0005617700000000, -0.0008001000000000 ] - [ -0.0000083400000000, 0.0000050100000000, -0.0004555500000000 ] - [ 0.0018026100000000, -0.0001786900000000, 0.0004128800000000 ] - [ -0.0010929300000000, 0.0000678100000000, 0.0009705600000000 ] - [ 0.0004594200000000, -0.0142549200000000, 0.0076275800000000 ] - [ -0.0119918300000000, -0.0288982300000000, -0.0314298900000000 ] - [ -0.0001549500000000, 0.0006770700000000, -0.0006023900000000 ] - [ 0.0002021500000000, -0.0004496800000000, 0.0002207000000000 ] - [ 0.0013639700000000, 0.0092425000000000, -0.0089257700000000 ] - [ -0.0008142800000000, -0.0025507200000000, 0.0004232700000000 ] - [ -0.0001262800000000, 0.0000934500000000, -0.0001053500000000 ] - [ -0.0000766500000000, -0.0000733100000000, -0.0001791200000000 ] - [ -0.0002132900000000, 0.0006567100000000, 0.0004012900000000 ] - [ 0.0012470800000000, -0.0019259300000000, -0.0025132700000000 ] - [ -0.0002203700000000, 0.0003675600000000, -0.0002981200000000 ] - [ -0.0000994300000000, -0.0006475300000000, 0.0003138600000000 ] - [ 0.0000791600000000, 0.0008476600000000, -0.0011213300000000 ] - [ 0.0002495000000000, -0.0007051600000000, -0.0000399800000000 ] - [ 0.0003256400000000, 0.0014792800000000, 0.0007583900000000 ] - [ -0.0011646000000000, -0.0023111700000000, -0.0023190000000000 ] - [ 0.0002769000000000, 0.0010046700000000, 0.0017248900000000 ] - [ 0.0009703100000000, -0.0004615900000000, -0.0000813100000000 ] - [ 0.0001885900000000, 0.0003386500000000, -0.0004787100000000 ] - [ -0.0001659900000000, -0.0001663600000000, -0.0001853300000000 ] - [ 0.0105029200000000, -0.0029564800000000, -0.0015383200000000 ] - [ -0.0011554400000000, -0.0008813300000000, 0.0011397500000000 ] - [ 0.0003809500000000, -0.0001984400000000, 0.0003597700000000 ] - [ -0.0018148000000000, 0.0005657900000000, -0.0013500600000000 ] - [ 0.0002336000000000, -0.0003076500000000, -0.0002714300000000 ] - [ 0.0003639700000000, -0.0003292500000000, -0.0000150100000000 ] - [ -0.0000292400000000, 0.0002084300000000, -0.0007522600000000 ] - [ 0.0000151600000000, 0.0002135000000000, -0.0007511800000000 ] - [ 0.0000747200000000, -0.0002118400000000, -0.0001332000000000 ] - [ 0.0000780700000000, -0.0002478000000000, -0.0002498400000000 ] - [ 0.0008323400000000, 0.0004647600000000, 0.0014647100000000 ] - [ -0.0002650300000000, -0.0005259400000000, 0.0002359900000000 ] - [ -0.0002278600000000, 0.0004040400000000, -0.0004620800000000 ] - [ -0.0001564500000000, -0.0001011800000000, -0.0002627900000000 ]- atom: 85 displacement: [ -0.0009337289454915, 0.0000000000000000, 0.0099563120811047 ] forces: - [ -0.0018716600000000, 0.0025620000000000, -0.0018277700000000 ] - [ -0.0014472700000000, -0.0011344500000000, -0.0003094000000000 ] - [ 0.0041493200000000, 0.0013978500000000, -0.0008688900000000 ] - [ 0.0005900000000000, -0.0009209000000000, 0.0008914500000000 ] - [ -0.0007262600000000, 0.0087095000000000, 0.0063908800000000 ] - [ 0.0009368200000000, 0.0010623500000000, 0.0080066000000000 ] - [ -0.0001781400000000, -0.0002738100000000, -0.0022015800000000 ] - [ -0.0003178400000000, 0.0000176100000000, -0.0016883000000000 ] - [ -0.0002157400000000, 0.0003564200000000, -0.0021115200000000 ] - [ -0.0000401500000000, 0.0000885900000000, -0.0018759400000000 ] - [ -0.0059987100000000, 0.0001723100000000, 0.0067876700000000 ] - [ -0.0004487700000000, -0.0005741700000000, 0.0025905700000000 ] - [ 0.0001819400000000, 0.0074304200000000, -0.0007794700000000 ] - [ -0.0014786600000000, -0.0037556600000000, -0.0022718000000000 ] - [ 0.0009426000000000, 0.0006818200000000, -0.0019862900000000 ] - [ 0.0001329200000000, -0.0005327400000000, -0.0015659700000000 ] - [ 0.0005372600000000, 0.0010074300000000, 0.0007290800000000 ] - [ 0.0054413400000000, -0.0059309900000000, -0.0045871600000000 ] - [ 0.0003278700000000, -0.0003220100000000, -0.0019347400000000 ] - [ 0.0005645200000000, 0.0002489400000000, -0.0019685600000000 ] - [ -0.0004112400000000, -0.0002569700000000, -0.0024356700000000 ] - [ -0.0002123400000000, 0.0000086400000000, -0.0015318500000000 ] - [ -0.0000470600000000, 0.0002078900000000, -0.0020511400000000 ] - [ -0.0000159100000000, 0.0001198700000000, -0.0017768400000000 ] - [ 0.0231618200000000, 0.0898765700000000, 0.2742435400000000 ] - [ 0.0002525600000000, -0.0021539000000000, 0.0040432100000000 ] - [ 0.0029508100000000, -0.0026207900000000, -0.0061880400000000 ] - [ -0.0012300800000000, 0.0038017800000000, -0.0053353800000000 ] - [ -0.0011624500000000, -0.0001846700000000, -0.0018637200000000 ] - [ -0.0013726500000000, 0.0014308700000000, 0.0005866900000000 ] - [ -0.0000542400000000, 0.0000380300000000, -0.0026596200000000 ] - [ -0.0000153800000000, -0.0003061100000000, -0.0027171900000000 ] - [ 0.0035276300000000, -0.0028486600000000, 0.0093960700000000 ] - [ -0.0010764500000000, 0.0016941500000000, 0.0042654600000000 ] - [ 0.0004537800000000, 0.0000093100000000, -0.0030054200000000 ] - [ 0.0004746400000000, 0.0000530100000000, -0.0025972700000000 ] - [ -0.0004426800000000, -0.0001689300000000, -0.0026502200000000 ] - [ -0.0007645000000000, 0.0005843000000000, -0.0013567400000000 ] - [ -0.0005953600000000, 0.0024384900000000, -0.0044625900000000 ] - [ 0.0010907200000000, -0.0020482400000000, -0.0032831100000000 ] - [ 0.0000100400000000, 0.0004238600000000, -0.0002696200000000 ] - [ -0.0000148200000000, 0.0004873000000000, -0.0003310600000000 ] - [ -0.0007016100000000, 0.0001198100000000, -0.0005278700000000 ] - [ -0.0007078100000000, 0.0001388900000000, -0.0005099900000000 ] - [ 0.0009822600000000, -0.0003602600000000, 0.0010509300000000 ] - [ 0.0010034100000000, 0.0000025300000000, 0.0008445900000000 ] - [ -0.0002322800000000, -0.0002100200000000, -0.0005416000000000 ] - [ -0.0001108900000000, -0.0001704200000000, -0.0003999500000000 ] - [ 0.0035130700000000, 0.0048626200000000, 0.0012266100000000 ] - [ -0.0004384400000000, -0.0011402600000000, -0.0000122700000000 ] - [ 0.0000729600000000, -0.0005619600000000, -0.0003413700000000 ] - [ 0.0000121300000000, -0.0003956800000000, -0.0002888400000000 ] - [ -0.0149784100000000, 0.0029187900000000, 0.0018643200000000 ] - [ 0.0008177300000000, -0.0001381100000000, 0.0009511400000000 ] - [ -0.0008702300000000, -0.0017641600000000, 0.0000527400000000 ] - [ -0.0001279600000000, 0.0004755700000000, 0.0002059000000000 ] - [ 0.0150581600000000, -0.0017167600000000, 0.0018613800000000 ] - [ -0.0005451100000000, 0.0003950900000000, -0.0011902700000000 ] - [ -0.0000297500000000, 0.0007505900000000, 0.0014883100000000 ] - [ 0.0000219400000000, 0.0006161600000000, 0.0004071600000000 ] - [ 0.0000430800000000, -0.0014903600000000, 0.0028609200000000 ] - [ -0.0002308300000000, -0.0002978700000000, 0.0020387600000000 ] - [ -0.0005249200000000, 0.0002016500000000, 0.0019241800000000 ] - [ -0.0000508200000000, -0.0012086100000000, 0.0019709000000000 ] - [ 0.0005267300000000, -0.0002466600000000, 0.0018574700000000 ] - [ 0.0005882000000000, 0.0006574500000000, 0.0010761500000000 ] - [ 0.0003485500000000, 0.0078300800000000, 0.0074477100000000 ] - [ 0.0005431200000000, -0.0045992300000000, 0.0023817800000000 ] - [ -0.0003956400000000, 0.0000619400000000, 0.0013035700000000 ] - [ -0.0003943400000000, 0.0000466000000000, 0.0011166700000000 ] - [ -0.0001134300000000, -0.0006469200000000, -0.0000166200000000 ] - [ 0.0001253200000000, 0.0006499300000000, 0.0007917000000000 ] - [ 0.0004258100000000, 0.0002764000000000, -0.0001055800000000 ] - [ 0.0000720400000000, -0.0006677900000000, -0.0014057500000000 ] - [ -0.0003824500000000, -0.0008842400000000, -0.0036872800000000 ] - [ 0.0000125500000000, 0.0020754300000000, -0.0026882600000000 ] - [ -0.0008356900000000, -0.0002575100000000, 0.0013870200000000 ] - [ -0.0008950400000000, -0.0000203700000000, 0.0015033100000000 ] - [ -0.0001247500000000, 0.0004726100000000, 0.0011897300000000 ] - [ -0.0001542000000000, 0.0005042600000000, 0.0009905600000000 ] - [ -0.0002774800000000, 0.0005390300000000, 0.0010627000000000 ] - [ -0.0002321300000000, 0.0003549600000000, 0.0006467600000000 ] - [ 0.0185862100000000, -0.0001921700000000, 0.0183572400000000 ] - [ -0.0002223900000000, 0.0023759700000000, -0.0018448000000000 ] - [ -0.0301779900000000, -0.1366231100000000, -0.3435777400000000 ] - [ -0.0005812200000000, 0.0005471200000000, -0.0024412700000000 ] - [ -0.0003607300000000, -0.0020470000000000, 0.0034898600000000 ] - [ -0.0014724500000000, 0.0012030500000000, 0.0006671400000000 ] - [ 0.0002688200000000, -0.0001648900000000, 0.0014587500000000 ] - [ 0.0001962700000000, 0.0000348600000000, 0.0012257400000000 ] - [ 0.0001668300000000, -0.0003408400000000, 0.0015737300000000 ] - [ 0.0002851500000000, -0.0002687600000000, 0.0010927300000000 ] - [ -0.0006376600000000, 0.0017424800000000, -0.0012037500000000 ] - [ 0.0010637400000000, -0.0008635600000000, -0.0012336900000000 ] - [ -0.0007543700000000, 0.0009584800000000, -0.0045209900000000 ] - [ 0.0048396100000000, 0.0137949300000000, 0.0025894100000000 ] - [ 0.0006824800000000, -0.0001575700000000, 0.0009861200000000 ] - [ 0.0008503200000000, -0.0005398700000000, 0.0005962600000000 ] - [ -0.0121361800000000, 0.0127362000000000, 0.0318002900000000 ] - [ 0.0013847800000000, 0.0004823900000000, -0.0016806300000000 ] - [ 0.0001532000000000, -0.0005217900000000, 0.0022195000000000 ] - [ 0.0000883100000000, -0.0005967100000000, 0.0020218100000000 ] - [ -0.0002995100000000, -0.0017212300000000, 0.0008512700000000 ] - [ -0.0000060800000000, 0.0024483200000000, 0.0021796500000000 ] - [ -0.0000513700000000, -0.0007693000000000, 0.0013986200000000 ] - [ 0.0000426200000000, -0.0007886600000000, 0.0007690400000000 ] - [ -0.0009344900000000, -0.0025193600000000, 0.0039729500000000 ] - [ -0.0005228000000000, 0.0003540200000000, 0.0004566100000000 ] - [ 0.0002556200000000, -0.0003864000000000, 0.0015432900000000 ] - [ 0.0007763300000000, 0.0018424800000000, 0.0021212200000000 ] - [ -0.0016964100000000, -0.0024136500000000, -0.0017070600000000 ] - [ -0.0009290300000000, 0.0023854800000000, -0.0015663400000000 ] - [ 0.0002233200000000, 0.0004512200000000, 0.0008992800000000 ] - [ 0.0000751700000000, -0.0000032800000000, 0.0004554000000000 ] - [ -0.0094143500000000, 0.0046811100000000, -0.0011853600000000 ] - [ 0.0002307700000000, 0.0003529100000000, -0.0016862000000000 ] - [ 0.0011930900000000, -0.0014446900000000, 0.0002716100000000 ] - [ 0.0008769900000000, 0.0003196400000000, 0.0007633300000000 ] - [ 0.0006913600000000, -0.0000547800000000, 0.0010146000000000 ] - [ 0.0007441000000000, -0.0001360400000000, 0.0009914700000000 ] - [ 0.0003057800000000, -0.0003254000000000, 0.0013249100000000 ] - [ 0.0002848600000000, -0.0003270700000000, 0.0013228000000000 ] - [ 0.0004158700000000, 0.0000144700000000, 0.0011628100000000 ] - [ 0.0003232700000000, 0.0002865400000000, 0.0012977300000000 ] - [ -0.0003726400000000, -0.0018053800000000, -0.0051904800000000 ] - [ -0.0003178200000000, -0.0006806600000000, -0.0032736200000000 ] - [ -0.0002505400000000, 0.0003377200000000, 0.0015712300000000 ] - [ -0.0002679500000000, 0.0002933000000000, 0.0014398800000000 ]- atom: 85 displacement: [ 0.0009337289454915, 0.0000000000000000, -0.0099563120811047 ] forces: - [ 0.0017476600000000, -0.0024657000000000, 0.0015207300000000 ] - [ 0.0013194600000000, 0.0012519800000000, -0.0000150100000000 ] - [ -0.0040564100000000, -0.0015239800000000, 0.0006825700000000 ] - [ -0.0005162700000000, 0.0008094000000000, -0.0010790300000000 ] - [ 0.0007701000000000, -0.0085823900000000, -0.0063583000000000 ] - [ -0.0008984800000000, -0.0010656100000000, -0.0078446400000000 ] - [ 0.0003051200000000, 0.0003958700000000, 0.0025389400000000 ] - [ 0.0004459100000000, 0.0001056300000000, 0.0020254600000000 ] - [ 0.0002676300000000, -0.0003645300000000, 0.0023022600000000 ] - [ 0.0000917000000000, -0.0000950800000000, 0.0020660100000000 ] - [ 0.0059798200000000, -0.0001836900000000, -0.0070164600000000 ] - [ 0.0003911200000000, 0.0005672700000000, -0.0027813200000000 ] - [ -0.0002660700000000, -0.0073714800000000, 0.0009512000000000 ] - [ 0.0014088300000000, 0.0038860500000000, 0.0024539800000000 ] - [ -0.0010762000000000, -0.0008096300000000, 0.0016648500000000 ] - [ -0.0002608500000000, 0.0004141800000000, 0.0012426300000000 ] - [ -0.0004108600000000, -0.0011278900000000, -0.0004112000000000 ] - [ -0.0053591700000000, 0.0058816900000000, 0.0049611100000000 ] - [ -0.0004036500000000, 0.0001993500000000, 0.0021311100000000 ] - [ -0.0006407000000000, -0.0003698500000000, 0.0021626200000000 ] - [ 0.0004894000000000, 0.0003827300000000, 0.0022575400000000 ] - [ 0.0002884300000000, 0.0001143400000000, 0.0013482900000000 ] - [ -0.0000025500000000, -0.0002020200000000, 0.0018770100000000 ] - [ -0.0000345600000000, -0.0001131300000000, 0.0016007000000000 ] - [ -0.0258365900000000, -0.0979348600000000, -0.2900511400000000 ] - [ -0.0000293900000000, 0.0020407500000000, -0.0038292800000000 ] - [ -0.0021683700000000, 0.0027392800000000, 0.0060724900000000 ] - [ 0.0019930500000000, -0.0036680800000000, 0.0052137300000000 ] - [ 0.0003696000000000, 0.0000851600000000, 0.0020179700000000 ] - [ 0.0005922700000000, -0.0015549200000000, -0.0004541300000000 ] - [ -0.0001443400000000, -0.0002232000000000, 0.0024487200000000 ] - [ -0.0001818100000000, 0.0001249600000000, 0.0025045200000000 ] - [ -0.0037511600000000, 0.0030450500000000, -0.0096597900000000 ] - [ 0.0008857800000000, -0.0015182000000000, -0.0045039200000000 ] - [ -0.0002574300000000, 0.0001722000000000, 0.0032375600000000 ] - [ -0.0002780900000000, 0.0001293100000000, 0.0028294300000000 ] - [ -0.0003420400000000, 0.0002874000000000, 0.0028054300000000 ] - [ -0.0000193900000000, -0.0004719700000000, 0.0015066000000000 ] - [ 0.0013906000000000, -0.0025751400000000, 0.0043486100000000 ] - [ -0.0003100600000000, 0.0019463100000000, 0.0031553900000000 ] - [ 0.0000203600000000, 0.0004397300000000, 0.0003815300000000 ] - [ 0.0000446000000000, 0.0003773300000000, 0.0004430100000000 ] - [ 0.0002010200000000, 0.0001774500000000, 0.0004194300000000 ] - [ 0.0002082700000000, 0.0001584700000000, 0.0004016300000000 ] - [ -0.0014854700000000, 0.0000647700000000, -0.0011648200000000 ] - [ -0.0015117700000000, -0.0003011400000000, -0.0009598700000000 ] - [ 0.0007357700000000, -0.0000870700000000, 0.0006554500000000 ] - [ 0.0006136500000000, -0.0001267600000000, 0.0005125500000000 ] - [ -0.0035083100000000, -0.0057800400000000, -0.0011436400000000 ] - [ 0.0004756200000000, 0.0002843800000000, 0.0001245100000000 ] - [ -0.0001041300000000, -0.0003008400000000, 0.0002328800000000 ] - [ -0.0000421500000000, -0.0004689600000000, 0.0001799400000000 ] - [ 0.0155121400000000, -0.0025753200000000, -0.0015942600000000 ] - [ -0.0003156800000000, 0.0004362200000000, -0.0008407200000000 ] - [ 0.0008407000000000, 0.0026545800000000, -0.0001646700000000 ] - [ 0.0000978400000000, 0.0003882100000000, -0.0003161400000000 ] - [ -0.0158912500000000, 0.0012783500000000, -0.0021328600000000 ] - [ -0.0002820500000000, -0.0008122800000000, 0.0010098000000000 ] - [ -0.0001249300000000, -0.0000452200000000, -0.0011211600000000 ] - [ -0.0001718800000000, 0.0000911800000000, -0.0000323600000000 ] - [ -0.0002596300000000, 0.0011643300000000, -0.0024156300000000 ] - [ 0.0000161900000000, -0.0000351500000000, -0.0015895900000000 ] - [ 0.0006770300000000, 0.0005091200000000, -0.0023080900000000 ] - [ 0.0002052500000000, 0.0019121900000000, -0.0023536000000000 ] - [ -0.0006018300000000, 0.0000448700000000, -0.0017270100000000 ] - [ -0.0006634600000000, -0.0008661600000000, -0.0009397400000000 ] - [ -0.0005286200000000, -0.0074677600000000, -0.0069781100000000 ] - [ -0.0007365400000000, 0.0048985800000000, -0.0019346500000000 ] - [ 0.0010725300000000, 0.0001602500000000, -0.0019232200000000 ] - [ 0.0010701300000000, 0.0001757500000000, -0.0017352100000000 ] - [ 0.0004704500000000, 0.0006848600000000, 0.0000846300000000 ] - [ 0.0002243900000000, -0.0006221300000000, -0.0007275900000000 ] - [ -0.0002081200000000, -0.0006132100000000, -0.0003502000000000 ] - [ 0.0001425700000000, 0.0003408400000000, 0.0009635700000000 ] - [ 0.0007930800000000, 0.0012628300000000, 0.0036786000000000 ] - [ 0.0004017700000000, -0.0017050400000000, 0.0026757400000000 ] - [ 0.0001595400000000, 0.0000351100000000, -0.0007718300000000 ] - [ 0.0002241300000000, -0.0002011100000000, -0.0008935800000000 ] - [ -0.0001742100000000, -0.0001724900000000, -0.0014067700000000 ] - [ -0.0001444500000000, -0.0002045600000000, -0.0012079100000000 ] - [ -0.0005480400000000, -0.0001237700000000, -0.0012479700000000 ] - [ -0.0005956000000000, 0.0000586800000000, -0.0008312600000000 ] - [ -0.0193075200000000, -0.0001125000000000, -0.0189165000000000 ] - [ -0.0000693300000000, -0.0027073500000000, 0.0016454400000000 ] - [ 0.0330157600000000, 0.1450852100000000, 0.3612693900000000 ] - [ 0.0004547600000000, -0.0003595600000000, 0.0030714800000000 ] - [ 0.0002870500000000, 0.0022342400000000, -0.0033150000000000 ] - [ 0.0014019600000000, -0.0009999500000000, -0.0005300600000000 ] - [ 0.0001434700000000, -0.0002090800000000, -0.0014841800000000 ] - [ 0.0002150700000000, -0.0004110800000000, -0.0012486100000000 ] - [ 0.0000464100000000, 0.0006742000000000, -0.0020354400000000 ] - [ -0.0000737900000000, 0.0006011100000000, -0.0015496800000000 ] - [ -0.0000398200000000, -0.0015306300000000, 0.0018236600000000 ] - [ -0.0017451200000000, 0.0010926700000000, 0.0018533900000000 ] - [ 0.0003462900000000, -0.0014248600000000, 0.0046259800000000 ] - [ -0.0053321700000000, -0.0143146100000000, -0.0025326800000000 ] - [ -0.0003276700000000, 0.0001225000000000, -0.0009253300000000 ] - [ -0.0004965700000000, 0.0005062200000000, -0.0005334500000000 ] - [ 0.0132101200000000, -0.0132442800000000, -0.0332501400000000 ] - [ -0.0007271300000000, -0.0007175900000000, 0.0010778500000000 ] - [ -0.0002777600000000, 0.0003254200000000, -0.0016000800000000 ] - [ -0.0002123300000000, 0.0004008600000000, -0.0014024200000000 ] - [ 0.0004475600000000, 0.0010357700000000, -0.0012243700000000 ] - [ 0.0001498600000000, -0.0031744500000000, -0.0025641000000000 ] - [ -0.0000997600000000, 0.0000621100000000, -0.0010259200000000 ] - [ -0.0001923300000000, 0.0000866300000000, -0.0003942600000000 ] - [ 0.0005918500000000, 0.0025749100000000, -0.0040712500000000 ] - [ 0.0001701900000000, -0.0003231900000000, -0.0005216700000000 ] - [ -0.0006031700000000, 0.0003468200000000, -0.0016160800000000 ] - [ -0.0011327400000000, -0.0018797800000000, -0.0021896300000000 ] - [ 0.0025306800000000, 0.0028488300000000, 0.0019135600000000 ] - [ 0.0017629300000000, -0.0019939800000000, 0.0017634900000000 ] - [ -0.0001538600000000, -0.0002496500000000, -0.0010427800000000 ] - [ -0.0000052300000000, 0.0002056800000000, -0.0005979300000000 ] - [ 0.0097221400000000, -0.0043780000000000, 0.0013914100000000 ] - [ 0.0000667100000000, -0.0000550500000000, 0.0019066700000000 ] - [ -0.0011257700000000, 0.0012494700000000, -0.0004090400000000 ] - [ -0.0008034400000000, -0.0005296800000000, -0.0009034500000000 ] - [ 0.0001359200000000, -0.0003598000000000, -0.0008350000000000 ] - [ 0.0000819500000000, -0.0002807200000000, -0.0008124300000000 ] - [ -0.0001823900000000, 0.0005251900000000, -0.0019535500000000 ] - [ -0.0001616900000000, 0.0005264300000000, -0.0019514100000000 ] - [ -0.0001204100000000, -0.0003165300000000, -0.0009541500000000 ] - [ -0.0000276100000000, -0.0005908600000000, -0.0010894800000000 ] - [ 0.0004949300000000, 0.0016159700000000, 0.0045851500000000 ] - [ 0.0004454700000000, 0.0004803000000000, 0.0026623700000000 ] - [ -0.0001611300000000, 0.0000364100000000, -0.0015578400000000 ] - [ -0.0001432700000000, 0.0000795600000000, -0.0014259700000000 ]