# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/e63af384-50f1-44c6-be24-6c17d631e1ea/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 HoP5O14 / Pnma (62) / materials id 14155](https://mdr.nims.go.jp/datasets/6c64bb2f-a95b-42fa-8f40-fcb7f417a363) ## 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: "Pnma" number: 62 Hall_symbol: "-P 2ac 2n"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 8.718955559999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 12.695635630000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.950770329999999 ] # c points: - symbol: O # 1 coordinates: [ 0.828398720000000, 0.629081140000000, 0.101115660000000 ] mass: 15.999400 - symbol: O # 2 coordinates: [ 0.328398720000000, 0.870918860000000, 0.398884340000000 ] mass: 15.999400 - symbol: O # 3 coordinates: [ 0.671601280000000, 0.370918860000000, 0.601115660000000 ] mass: 15.999400 - symbol: O # 4 coordinates: [ 0.171601280000000, 0.129081140000000, 0.898884340000000 ] mass: 15.999400 - symbol: O # 5 coordinates: [ 0.171601280000000, 0.370918860000000, 0.898884340000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.671601280000000, 0.129081140000000, 0.601115660000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.328398720000000, 0.629081140000000, 0.398884340000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.828398720000000, 0.870918860000000, 0.101115660000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.656332080000000, 0.619509210000000, 0.339117020000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.156332080000000, 0.880490790000000, 0.160882980000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.843667920000000, 0.380490790000000, 0.839117020000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.343667920000000, 0.119509210000000, 0.660882980000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.343667920000000, 0.380490790000000, 0.660882980000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.843667920000000, 0.119509210000000, 0.839117020000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.156332080000000, 0.619509210000000, 0.160882980000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.656332080000000, 0.880490790000000, 0.339117020000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.888648370000000, 0.507653540000000, 0.320528810000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.388648370000000, 0.992346460000000, 0.179471190000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.611351630000000, 0.492346460000000, 0.820528810000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.667044010000000, 0.470066370000000, 0.155730080000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.111351630000000, 0.007653540000000, 0.679471190000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.611351630000000, 0.007653540000000, 0.820528810000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.388648370000000, 0.507653540000000, 0.179471190000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.888648370000000, 0.992346460000000, 0.320528810000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.540880410000000, 0.250000000000000, 0.828809220000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.040880410000000, 0.250000000000000, 0.671190780000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.959119590000000, 0.750000000000000, 0.328809220000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.459119590000000, 0.750000000000000, 0.171190780000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.730795150000000, 0.250000000000000, 0.056783360000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.230795150000000, 0.250000000000000, 0.443216640000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.769204850000000, 0.750000000000000, 0.556783360000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.269204850000000, 0.750000000000000, 0.943216640000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.475125630000000, 0.152831100000000, 0.062459540000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.975125630000000, 0.347168900000000, 0.437540460000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.024874370000000, 0.847168900000000, 0.562459540000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.524874370000000, 0.652831100000000, 0.937540460000000 ] mass: 15.999400 - symbol: O # 37 coordinates: [ 0.524874370000000, 0.847168900000000, 0.937540460000000 ] mass: 15.999400 - symbol: O # 38 coordinates: [ 0.024874370000000, 0.652831100000000, 0.562459540000000 ] mass: 15.999400 - symbol: O # 39 coordinates: [ 0.975125630000000, 0.152831100000000, 0.437540460000000 ] mass: 15.999400 - symbol: O # 40 coordinates: [ 0.475125630000000, 0.347168900000000, 0.062459540000000 ] mass: 15.999400 - symbol: O # 41 coordinates: [ 0.506297700000000, 0.136771240000000, 0.347562030000000 ] mass: 15.999400 - symbol: O # 42 coordinates: [ 0.006297700000000, 0.363228760000000, 0.152437970000000 ] mass: 15.999400 - symbol: O # 43 coordinates: [ 0.993702300000000, 0.863228760000000, 0.847562030000000 ] mass: 15.999400 - symbol: O # 44 coordinates: [ 0.493702300000000, 0.636771240000000, 0.652437970000000 ] mass: 15.999400 - symbol: O # 45 coordinates: [ 0.493702300000000, 0.863228760000000, 0.652437970000000 ] mass: 15.999400 - symbol: O # 46 coordinates: [ 0.993702300000000, 0.636771240000000, 0.847562030000000 ] mass: 15.999400 - symbol: O # 47 coordinates: [ 0.006297700000000, 0.136771240000000, 0.152437970000000 ] mass: 15.999400 - symbol: O # 48 coordinates: [ 0.506297700000000, 0.363228760000000, 0.347562030000000 ] mass: 15.999400 - symbol: O # 49 coordinates: [ 0.667044010000000, 0.029933630000000, 0.155730080000000 ] mass: 15.999400 - symbol: O # 50 coordinates: [ 0.167044010000000, 0.470066370000000, 0.344269920000000 ] mass: 15.999400 - symbol: O # 51 coordinates: [ 0.832955990000000, 0.970066370000000, 0.655730080000000 ] mass: 15.999400 - symbol: O # 52 coordinates: [ 0.332955990000000, 0.529933630000000, 0.844269920000000 ] mass: 15.999400 - symbol: O # 53 coordinates: [ 0.332955990000000, 0.970066370000000, 0.844269920000000 ] mass: 15.999400 - symbol: O # 54 coordinates: [ 0.832955990000000, 0.529933630000000, 0.655730080000000 ] mass: 15.999400 - symbol: O # 55 coordinates: [ 0.167044010000000, 0.029933630000000, 0.344269920000000 ] mass: 15.999400 - symbol: O # 56 coordinates: [ 0.111351630000000, 0.492346460000000, 0.679471190000000 ] mass: 15.999400 - symbol: P # 57 coordinates: [ 0.758105780000000, 0.569749980000000, 0.226255520000000 ] mass: 30.973762 - symbol: P # 58 coordinates: [ 0.258105780000000, 0.930250020000000, 0.273744480000000 ] mass: 30.973762 - symbol: P # 59 coordinates: [ 0.741894220000000, 0.430250020000000, 0.726255520000000 ] mass: 30.973762 - symbol: P # 60 coordinates: [ 0.241894220000000, 0.069749980000000, 0.773744480000000 ] mass: 30.973762 - symbol: P # 61 coordinates: [ 0.241894220000000, 0.430250020000000, 0.773744480000000 ] mass: 30.973762 - symbol: P # 62 coordinates: [ 0.741894220000000, 0.069749980000000, 0.726255520000000 ] mass: 30.973762 - symbol: P # 63 coordinates: [ 0.258105780000000, 0.569749980000000, 0.273744480000000 ] mass: 30.973762 - symbol: P # 64 coordinates: [ 0.758105780000000, 0.930250020000000, 0.226255520000000 ] mass: 30.973762 - symbol: P # 65 coordinates: [ 0.509873440000000, 0.417703240000000, 0.202529090000000 ] mass: 30.973762 - symbol: P # 66 coordinates: [ 0.009873440000000, 0.082296760000000, 0.297470910000000 ] mass: 30.973762 - symbol: P # 67 coordinates: [ 0.990126560000000, 0.582296760000000, 0.702529090000000 ] mass: 30.973762 - symbol: P # 68 coordinates: [ 0.490126560000000, 0.917703240000000, 0.797470910000000 ] mass: 30.973762 - symbol: P # 69 coordinates: [ 0.490126560000000, 0.582296760000000, 0.797470910000000 ] mass: 30.973762 - symbol: P # 70 coordinates: [ 0.990126560000000, 0.917703240000000, 0.702529090000000 ] mass: 30.973762 - symbol: P # 71 coordinates: [ 0.009873440000000, 0.417703240000000, 0.297470910000000 ] mass: 30.973762 - symbol: P # 72 coordinates: [ 0.509873440000000, 0.082296760000000, 0.202529090000000 ] mass: 30.973762 - symbol: P # 73 coordinates: [ 0.426359990000000, 0.750000000000000, 0.009020300000000 ] mass: 30.973762 - symbol: P # 74 coordinates: [ 0.926359990000000, 0.750000000000000, 0.490979700000000 ] mass: 30.973762 - symbol: P # 75 coordinates: [ 0.073640010000000, 0.250000000000000, 0.509020300000000 ] mass: 30.973762 - symbol: P # 76 coordinates: [ 0.573640010000000, 0.250000000000000, 0.990979700000000 ] mass: 30.973762 - symbol: Ho # 77 coordinates: [ 0.019790550000000, 0.750000000000000, 0.056619150000000 ] mass: 164.930320 - symbol: Ho # 78 coordinates: [ 0.519790550000000, 0.750000000000000, 0.443380850000000 ] mass: 164.930320 - symbol: Ho # 79 coordinates: [ 0.480209450000000, 0.250000000000000, 0.556619150000000 ] mass: 164.930320 - symbol: Ho # 80 coordinates: [ 0.980209450000000, 0.250000000000000, 0.943380850000000 ] mass: 164.930320 reciprocal_lattice: # without 2pi - [ 0.114692636419402, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.078767225930538, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.111722227599599 ] # c*unit_cell: lattice: - [ 8.718955559999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 12.695635630000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.950770329999999 ] # c points: - symbol: O # 1 coordinates: [ 0.828398720000000, 0.629081140000000, 0.101115660000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.328398720000000, 0.870918860000000, 0.398884340000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.671601280000000, 0.370918860000000, 0.601115660000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.171601280000000, 0.129081140000000, 0.898884340000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.171601280000000, 0.370918860000000, 0.898884340000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.671601280000000, 0.129081140000000, 0.601115660000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.328398720000000, 0.629081140000000, 0.398884340000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.828398720000000, 0.870918860000000, 0.101115660000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.656332080000000, 0.619509210000000, 0.339117020000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.156332080000000, 0.880490790000000, 0.160882980000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.843667920000000, 0.380490790000000, 0.839117020000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.343667920000000, 0.119509210000000, 0.660882980000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.343667920000000, 0.380490790000000, 0.660882980000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.843667920000000, 0.119509210000000, 0.839117020000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.156332080000000, 0.619509210000000, 0.160882980000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.656332080000000, 0.880490790000000, 0.339117020000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.888648370000000, 0.507653540000000, 0.320528810000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.388648370000000, 0.992346460000000, 0.179471190000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.611351630000000, 0.492346460000000, 0.820528810000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.667044010000000, 0.470066370000000, 0.155730080000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.111351630000000, 0.007653540000000, 0.679471190000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.611351630000000, 0.007653540000000, 0.820528810000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.388648370000000, 0.507653540000000, 0.179471190000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.888648370000000, 0.992346460000000, 0.320528810000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.540880410000000, 0.250000000000000, 0.828809220000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.040880410000000, 0.250000000000000, 0.671190780000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.959119590000000, 0.750000000000000, 0.328809220000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.459119590000000, 0.750000000000000, 0.171190780000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.730795150000000, 0.250000000000000, 0.056783360000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.230795150000000, 0.250000000000000, 0.443216640000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.769204850000000, 0.750000000000000, 0.556783360000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.269204850000000, 0.750000000000000, 0.943216640000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.475125630000000, 0.152831100000000, 0.062459540000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.975125630000000, 0.347168900000000, 0.437540460000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.024874370000000, 0.847168900000000, 0.562459540000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.524874370000000, 0.652831100000000, 0.937540460000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.524874370000000, 0.847168900000000, 0.937540460000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.024874370000000, 0.652831100000000, 0.562459540000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.975125630000000, 0.152831100000000, 0.437540460000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.475125630000000, 0.347168900000000, 0.062459540000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.506297700000000, 0.136771240000000, 0.347562030000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.006297700000000, 0.363228760000000, 0.152437970000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.993702300000000, 0.863228760000000, 0.847562030000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.493702300000000, 0.636771240000000, 0.652437970000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.493702300000000, 0.863228760000000, 0.652437970000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.993702300000000, 0.636771240000000, 0.847562030000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.006297700000000, 0.136771240000000, 0.152437970000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.506297700000000, 0.363228760000000, 0.347562030000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.667044010000000, 0.029933630000000, 0.155730080000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.167044010000000, 0.470066370000000, 0.344269920000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.832955990000000, 0.970066370000000, 0.655730080000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.332955990000000, 0.529933630000000, 0.844269920000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.332955990000000, 0.970066370000000, 0.844269920000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.832955990000000, 0.529933630000000, 0.655730080000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.167044010000000, 0.029933630000000, 0.344269920000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.111351630000000, 0.492346460000000, 0.679471190000000 ] mass: 15.999400 reduced_to: 56 - symbol: P # 57 coordinates: [ 0.758105780000000, 0.569749980000000, 0.226255520000000 ] mass: 30.973762 reduced_to: 57 - symbol: P # 58 coordinates: [ 0.258105780000000, 0.930250020000000, 0.273744480000000 ] mass: 30.973762 reduced_to: 58 - symbol: P # 59 coordinates: [ 0.741894220000000, 0.430250020000000, 0.726255520000000 ] mass: 30.973762 reduced_to: 59 - symbol: P # 60 coordinates: [ 0.241894220000000, 0.069749980000000, 0.773744480000000 ] mass: 30.973762 reduced_to: 60 - symbol: P # 61 coordinates: [ 0.241894220000000, 0.430250020000000, 0.773744480000000 ] mass: 30.973762 reduced_to: 61 - symbol: P # 62 coordinates: [ 0.741894220000000, 0.069749980000000, 0.726255520000000 ] mass: 30.973762 reduced_to: 62 - symbol: P # 63 coordinates: [ 0.258105780000000, 0.569749980000000, 0.273744480000000 ] mass: 30.973762 reduced_to: 63 - symbol: P # 64 coordinates: [ 0.758105780000000, 0.930250020000000, 0.226255520000000 ] mass: 30.973762 reduced_to: 64 - symbol: P # 65 coordinates: [ 0.509873440000000, 0.417703240000000, 0.202529090000000 ] mass: 30.973762 reduced_to: 65 - symbol: P # 66 coordinates: [ 0.009873440000000, 0.082296760000000, 0.297470910000000 ] mass: 30.973762 reduced_to: 66 - symbol: P # 67 coordinates: [ 0.990126560000000, 0.582296760000000, 0.702529090000000 ] mass: 30.973762 reduced_to: 67 - symbol: P # 68 coordinates: [ 0.490126560000000, 0.917703240000000, 0.797470910000000 ] mass: 30.973762 reduced_to: 68 - symbol: P # 69 coordinates: [ 0.490126560000000, 0.582296760000000, 0.797470910000000 ] mass: 30.973762 reduced_to: 69 - symbol: P # 70 coordinates: [ 0.990126560000000, 0.917703240000000, 0.702529090000000 ] mass: 30.973762 reduced_to: 70 - symbol: P # 71 coordinates: [ 0.009873440000000, 0.417703240000000, 0.297470910000000 ] mass: 30.973762 reduced_to: 71 - symbol: P # 72 coordinates: [ 0.509873440000000, 0.082296760000000, 0.202529090000000 ] mass: 30.973762 reduced_to: 72 - symbol: P # 73 coordinates: [ 0.426359990000000, 0.750000000000000, 0.009020300000000 ] mass: 30.973762 reduced_to: 73 - symbol: P # 74 coordinates: [ 0.926359990000000, 0.750000000000000, 0.490979700000000 ] mass: 30.973762 reduced_to: 74 - symbol: P # 75 coordinates: [ 0.073640010000000, 0.250000000000000, 0.509020300000000 ] mass: 30.973762 reduced_to: 75 - symbol: P # 76 coordinates: [ 0.573640010000000, 0.250000000000000, 0.990979700000000 ] mass: 30.973762 reduced_to: 76 - symbol: Ho # 77 coordinates: [ 0.019790550000000, 0.750000000000000, 0.056619150000000 ] mass: 164.930320 reduced_to: 77 - symbol: Ho # 78 coordinates: [ 0.519790550000000, 0.750000000000000, 0.443380850000000 ] mass: 164.930320 reduced_to: 78 - symbol: Ho # 79 coordinates: [ 0.480209450000000, 0.250000000000000, 0.556619150000000 ] mass: 164.930320 reduced_to: 79 - symbol: Ho # 80 coordinates: [ 0.980209450000000, 0.250000000000000, 0.943380850000000 ] mass: 164.930320 reduced_to: 80supercell: lattice: - [ 8.718955559999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 12.695635630000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.950770329999999 ] # c points: - symbol: O # 1 coordinates: [ 0.828398720000000, 0.629081140000000, 0.101115660000000 ] mass: 15.999400 reduced_to: 1 - symbol: O # 2 coordinates: [ 0.328398720000000, 0.870918860000000, 0.398884340000000 ] mass: 15.999400 reduced_to: 2 - symbol: O # 3 coordinates: [ 0.671601280000000, 0.370918860000000, 0.601115660000000 ] mass: 15.999400 reduced_to: 3 - symbol: O # 4 coordinates: [ 0.171601280000000, 0.129081140000000, 0.898884340000000 ] mass: 15.999400 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.171601280000000, 0.370918860000000, 0.898884340000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.671601280000000, 0.129081140000000, 0.601115660000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.328398720000000, 0.629081140000000, 0.398884340000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.828398720000000, 0.870918860000000, 0.101115660000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.656332080000000, 0.619509210000000, 0.339117020000000 ] mass: 15.999400 reduced_to: 9 - symbol: O # 10 coordinates: [ 0.156332080000000, 0.880490790000000, 0.160882980000000 ] mass: 15.999400 reduced_to: 10 - symbol: O # 11 coordinates: [ 0.843667920000000, 0.380490790000000, 0.839117020000000 ] mass: 15.999400 reduced_to: 11 - symbol: O # 12 coordinates: [ 0.343667920000000, 0.119509210000000, 0.660882980000000 ] mass: 15.999400 reduced_to: 12 - symbol: O # 13 coordinates: [ 0.343667920000000, 0.380490790000000, 0.660882980000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.843667920000000, 0.119509210000000, 0.839117020000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.156332080000000, 0.619509210000000, 0.160882980000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.656332080000000, 0.880490790000000, 0.339117020000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.888648370000000, 0.507653540000000, 0.320528810000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.388648370000000, 0.992346460000000, 0.179471190000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.611351630000000, 0.492346460000000, 0.820528810000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.667044010000000, 0.470066370000000, 0.155730080000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.111351630000000, 0.007653540000000, 0.679471190000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.611351630000000, 0.007653540000000, 0.820528810000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.388648370000000, 0.507653540000000, 0.179471190000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.888648370000000, 0.992346460000000, 0.320528810000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.540880410000000, 0.250000000000000, 0.828809220000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.040880410000000, 0.250000000000000, 0.671190780000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.959119590000000, 0.750000000000000, 0.328809220000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.459119590000000, 0.750000000000000, 0.171190780000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.730795150000000, 0.250000000000000, 0.056783360000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.230795150000000, 0.250000000000000, 0.443216640000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.769204850000000, 0.750000000000000, 0.556783360000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.269204850000000, 0.750000000000000, 0.943216640000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.475125630000000, 0.152831100000000, 0.062459540000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.975125630000000, 0.347168900000000, 0.437540460000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.024874370000000, 0.847168900000000, 0.562459540000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.524874370000000, 0.652831100000000, 0.937540460000000 ] mass: 15.999400 reduced_to: 36 - symbol: O # 37 coordinates: [ 0.524874370000000, 0.847168900000000, 0.937540460000000 ] mass: 15.999400 reduced_to: 37 - symbol: O # 38 coordinates: [ 0.024874370000000, 0.652831100000000, 0.562459540000000 ] mass: 15.999400 reduced_to: 38 - symbol: O # 39 coordinates: [ 0.975125630000000, 0.152831100000000, 0.437540460000000 ] mass: 15.999400 reduced_to: 39 - symbol: O # 40 coordinates: [ 0.475125630000000, 0.347168900000000, 0.062459540000000 ] mass: 15.999400 reduced_to: 40 - symbol: O # 41 coordinates: [ 0.506297700000000, 0.136771240000000, 0.347562030000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.006297700000000, 0.363228760000000, 0.152437970000000 ] mass: 15.999400 reduced_to: 42 - symbol: O # 43 coordinates: [ 0.993702300000000, 0.863228760000000, 0.847562030000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.493702300000000, 0.636771240000000, 0.652437970000000 ] mass: 15.999400 reduced_to: 44 - symbol: O # 45 coordinates: [ 0.493702300000000, 0.863228760000000, 0.652437970000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.993702300000000, 0.636771240000000, 0.847562030000000 ] mass: 15.999400 reduced_to: 46 - symbol: O # 47 coordinates: [ 0.006297700000000, 0.136771240000000, 0.152437970000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.506297700000000, 0.363228760000000, 0.347562030000000 ] mass: 15.999400 reduced_to: 48 - symbol: O # 49 coordinates: [ 0.667044010000000, 0.029933630000000, 0.155730080000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.167044010000000, 0.470066370000000, 0.344269920000000 ] mass: 15.999400 reduced_to: 50 - symbol: O # 51 coordinates: [ 0.832955990000000, 0.970066370000000, 0.655730080000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.332955990000000, 0.529933630000000, 0.844269920000000 ] mass: 15.999400 reduced_to: 52 - symbol: O # 53 coordinates: [ 0.332955990000000, 0.970066370000000, 0.844269920000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.832955990000000, 0.529933630000000, 0.655730080000000 ] mass: 15.999400 reduced_to: 54 - symbol: O # 55 coordinates: [ 0.167044010000000, 0.029933630000000, 0.344269920000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.111351630000000, 0.492346460000000, 0.679471190000000 ] mass: 15.999400 reduced_to: 56 - symbol: P # 57 coordinates: [ 0.758105780000000, 0.569749980000000, 0.226255520000000 ] mass: 30.973762 reduced_to: 57 - symbol: P # 58 coordinates: [ 0.258105780000000, 0.930250020000000, 0.273744480000000 ] mass: 30.973762 reduced_to: 58 - symbol: P # 59 coordinates: [ 0.741894220000000, 0.430250020000000, 0.726255520000000 ] mass: 30.973762 reduced_to: 59 - symbol: P # 60 coordinates: [ 0.241894220000000, 0.069749980000000, 0.773744480000000 ] mass: 30.973762 reduced_to: 60 - symbol: P # 61 coordinates: [ 0.241894220000000, 0.430250020000000, 0.773744480000000 ] mass: 30.973762 reduced_to: 61 - symbol: P # 62 coordinates: [ 0.741894220000000, 0.069749980000000, 0.726255520000000 ] mass: 30.973762 reduced_to: 62 - symbol: P # 63 coordinates: [ 0.258105780000000, 0.569749980000000, 0.273744480000000 ] mass: 30.973762 reduced_to: 63 - symbol: P # 64 coordinates: [ 0.758105780000000, 0.930250020000000, 0.226255520000000 ] mass: 30.973762 reduced_to: 64 - symbol: P # 65 coordinates: [ 0.509873440000000, 0.417703240000000, 0.202529090000000 ] mass: 30.973762 reduced_to: 65 - symbol: P # 66 coordinates: [ 0.009873440000000, 0.082296760000000, 0.297470910000000 ] mass: 30.973762 reduced_to: 66 - symbol: P # 67 coordinates: [ 0.990126560000000, 0.582296760000000, 0.702529090000000 ] mass: 30.973762 reduced_to: 67 - symbol: P # 68 coordinates: [ 0.490126560000000, 0.917703240000000, 0.797470910000000 ] mass: 30.973762 reduced_to: 68 - symbol: P # 69 coordinates: [ 0.490126560000000, 0.582296760000000, 0.797470910000000 ] mass: 30.973762 reduced_to: 69 - symbol: P # 70 coordinates: [ 0.990126560000000, 0.917703240000000, 0.702529090000000 ] mass: 30.973762 reduced_to: 70 - symbol: P # 71 coordinates: [ 0.009873440000000, 0.417703240000000, 0.297470910000000 ] mass: 30.973762 reduced_to: 71 - symbol: P # 72 coordinates: [ 0.509873440000000, 0.082296760000000, 0.202529090000000 ] mass: 30.973762 reduced_to: 72 - symbol: P # 73 coordinates: [ 0.426359990000000, 0.750000000000000, 0.009020300000000 ] mass: 30.973762 reduced_to: 73 - symbol: P # 74 coordinates: [ 0.926359990000000, 0.750000000000000, 0.490979700000000 ] mass: 30.973762 reduced_to: 74 - symbol: P # 75 coordinates: [ 0.073640010000000, 0.250000000000000, 0.509020300000000 ] mass: 30.973762 reduced_to: 75 - symbol: P # 76 coordinates: [ 0.573640010000000, 0.250000000000000, 0.990979700000000 ] mass: 30.973762 reduced_to: 76 - symbol: Ho # 77 coordinates: [ 0.019790550000000, 0.750000000000000, 0.056619150000000 ] mass: 164.930320 reduced_to: 77 - symbol: Ho # 78 coordinates: [ 0.519790550000000, 0.750000000000000, 0.443380850000000 ] mass: 164.930320 reduced_to: 78 - symbol: Ho # 79 coordinates: [ 0.480209450000000, 0.250000000000000, 0.556619150000000 ] mass: 164.930320 reduced_to: 79 - symbol: Ho # 80 coordinates: [ 0.980209450000000, 0.250000000000000, 0.943380850000000 ] mass: 164.930320 reduced_to: 80displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1645334300000000, -0.1253446000000000, 0.1551030500000000 ] - [ 0.0015355700000000, -0.0004851600000000, 0.0007517800000000 ] - [ -0.0004490700000000, 0.0004081200000000, -0.0000605900000000 ] - [ 0.0002581400000000, 0.0001007900000000, -0.0001391200000000 ] - [ 0.0007357600000000, 0.0000671500000000, -0.0002549900000000 ] - [ -0.0003045500000000, 0.0002957500000000, 0.0001105100000000 ] - [ 0.0032972000000000, -0.0004167000000000, 0.0016602900000000 ] - [ -0.0031632800000000, 0.0025061100000000, 0.0018139000000000 ] - [ 0.0061127700000000, 0.0032265300000000, -0.0240590500000000 ] - [ 0.0034226300000000, 0.0032399800000000, 0.0031309200000000 ] - [ -0.0006800200000000, -0.0005382700000000, 0.0003688700000000 ] - [ 0.0007248400000000, 0.0010731200000000, -0.0006176800000000 ] - [ 0.0009389800000000, -0.0006582100000000, -0.0006132100000000 ] - [ -0.0000162900000000, 0.0010142700000000, 0.0005733200000000 ] - [ 0.0122884500000000, -0.0035241800000000, 0.0054413100000000 ] - [ -0.0014501600000000, -0.0015688800000000, 0.0013490600000000 ] - [ -0.0047869200000000, -0.0085219000000000, 0.0093522300000000 ] - [ 0.0014727000000000, 0.0010349300000000, -0.0003549300000000 ] - [ -0.0006575600000000, 0.0004248100000000, 0.0012352700000000 ] - [ 0.0175524500000000, 0.0234718700000000, -0.0097100500000000 ] - [ 0.0006409000000000, 0.0011892400000000, -0.0004248400000000 ] - [ -0.0004623200000000, 0.0000149600000000, 0.0003265300000000 ] - [ 0.0069020200000000, -0.0036296000000000, -0.0011573800000000 ] - [ 0.0000629000000000, 0.0005268800000000, 0.0006018800000000 ] - [ -0.0002113900000000, 0.0005597100000000, 0.0004502600000000 ] - [ -0.0001108400000000, 0.0000544200000000, 0.0003139100000000 ] - [ -0.0006560200000000, 0.0030631400000000, 0.0073183200000000 ] - [ 0.0028845900000000, -0.0012849800000000, 0.0013655300000000 ] - [ -0.0007464100000000, 0.0010311600000000, 0.0000595500000000 ] - [ 0.0006354400000000, 0.0001417600000000, 0.0004228100000000 ] - [ -0.0029358900000000, -0.0011772500000000, -0.0005404200000000 ] - [ 0.0057156200000000, -0.0006494300000000, 0.0000917100000000 ] - [ 0.0002665900000000, 0.0016677900000000, -0.0010247400000000 ] - [ 0.0004320500000000, -0.0012511100000000, 0.0010466500000000 ] - [ -0.0003790600000000, 0.0004673400000000, 0.0004803400000000 ] - [ 0.0041275100000000, -0.0012282900000000, 0.0025299800000000 ] - [ 0.0004432400000000, -0.0008396500000000, 0.0008246300000000 ] - [ -0.0005580800000000, -0.0001691700000000, -0.0012056600000000 ] - [ 0.0001733400000000, 0.0006701500000000, 0.0006574800000000 ] - [ 0.0014557300000000, 0.0027282700000000, 0.0018136900000000 ] - [ 0.0003411800000000, 0.0007234000000000, -0.0001718800000000 ] - [ 0.0000836700000000, -0.0005961200000000, 0.0004063600000000 ] - [ -0.0008424800000000, 0.0021233700000000, -0.0031241700000000 ] - [ 0.0002768800000000, -0.0000888600000000, 0.0001380800000000 ] - [ -0.0002008200000000, -0.0004963700000000, -0.0000978300000000 ] - [ 0.0014749700000000, -0.0020859900000000, -0.0092868100000000 ] - [ 0.0002254700000000, 0.0003278000000000, 0.0001985500000000 ] - [ 0.0033932500000000, 0.0025457800000000, -0.0032516400000000 ] - [ -0.0012914100000000, 0.0018627500000000, 0.0003498800000000 ] - [ 0.0002291400000000, -0.0020537600000000, 0.0005159300000000 ] - [ -0.0006081900000000, 0.0002803700000000, -0.0000834300000000 ] - [ 0.0020276300000000, 0.0017949400000000, -0.0000073000000000 ] - [ 0.0009136800000000, -0.0009511900000000, -0.0002468200000000 ] - [ -0.0017352100000000, -0.0008640200000000, -0.0004065900000000 ] - [ -0.0004892200000000, 0.0017883400000000, 0.0003515500000000 ] - [ 0.0010356100000000, -0.0017956600000000, -0.0006007800000000 ] - [ 0.1268395300000000, 0.0848616900000000, -0.1333390200000000 ] - [ -0.0023524500000000, -0.0014805800000000, -0.0013535500000000 ] - [ 0.0019125900000000, 0.0003198700000000, -0.0014453400000000 ] - [ -0.0020373800000000, -0.0010047600000000, 0.0004606600000000 ] - [ -0.0034538200000000, 0.0005557300000000, 0.0001201300000000 ] - [ 0.0000984400000000, -0.0013180700000000, -0.0009878900000000 ] - [ -0.0091202400000000, 0.0062906500000000, -0.0040708700000000 ] - [ 0.0036144100000000, -0.0011042900000000, -0.0029459100000000 ] - [ -0.0169041500000000, -0.0040337000000000, 0.0016430000000000 ] - [ 0.0006604000000000, -0.0017551600000000, -0.0005357300000000 ] - [ 0.0015101600000000, 0.0040190200000000, 0.0049571700000000 ] - [ -0.0008211500000000, 0.0008346500000000, -0.0002897900000000 ] - [ -0.0024315700000000, -0.0018598200000000, -0.0019253600000000 ] - [ 0.0001350400000000, -0.0018426900000000, 0.0024060900000000 ] - [ -0.0008483600000000, 0.0036973100000000, -0.0009525500000000 ] - [ 0.0004087800000000, -0.0022702600000000, 0.0007099800000000 ] - [ -0.0062339800000000, 0.0034533900000000, -0.0023717300000000 ] - [ 0.0048299800000000, 0.0008550900000000, -0.0037821400000000 ] - [ -0.0009064500000000, -0.0000340000000000, -0.0005364000000000 ] - [ 0.0005276200000000, -0.0037411800000000, -0.0013223300000000 ] - [ 0.0137961100000000, 0.0092766300000000, -0.0030840800000000 ] - [ -0.0060432600000000, 0.0083592300000000, 0.0036120400000000 ] - [ 0.0002309000000000, -0.0018760400000000, 0.0010058300000000 ] - [ 0.0017765600000000, -0.0004083700000000, 0.0003135600000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1630133600000000, 0.1262491800000000, -0.1577116000000000 ] - [ -0.0018178600000000, 0.0010241100000000, -0.0012230900000000 ] - [ 0.0007409100000000, 0.0001281900000000, 0.0005358200000000 ] - [ 0.0000295700000000, -0.0006318000000000, -0.0003415000000000 ] - [ -0.0004514400000000, 0.0004652400000000, -0.0002192100000000 ] - [ 0.0005924800000000, -0.0008302600000000, 0.0003659800000000 ] - [ -0.0035705400000000, -0.0001295400000000, -0.0021166100000000 ] - [ 0.0028481600000000, -0.0019556800000000, -0.0013134700000000 ] - [ -0.0064708700000000, -0.0021928800000000, 0.0251667000000000 ] - [ -0.0037739800000000, -0.0042424500000000, -0.0038736400000000 ] - [ 0.0010674800000000, -0.0005080200000000, 0.0004213700000000 ] - [ -0.0003404800000000, -0.0000260400000000, -0.0001664800000000 ] - [ -0.0005538100000000, -0.0003899400000000, -0.0001727600000000 ] - [ 0.0003999300000000, 0.0000347100000000, 0.0002080200000000 ] - [ -0.0124618900000000, 0.0045142000000000, -0.0061379400000000 ] - [ 0.0010647300000000, 0.0005234200000000, -0.0005614900000000 ] - [ 0.0051258300000000, 0.0087452900000000, -0.0087842500000000 ] - [ -0.0009815200000000, -0.0010626500000000, -0.0003438100000000 ] - [ 0.0001845400000000, -0.0004712300000000, -0.0005345000000000 ] - [ -0.0184089600000000, -0.0255659400000000, 0.0100885500000000 ] - [ -0.0011127000000000, -0.0011388600000000, -0.0002800600000000 ] - [ -0.0000151500000000, 0.0000280800000000, 0.0003700000000000 ] - [ -0.0063923200000000, 0.0036396700000000, 0.0004603800000000 ] - [ 0.0004203800000000, -0.0005553900000000, 0.0001009300000000 ] - [ -0.0001589700000000, -0.0005583900000000, -0.0008448200000000 ] - [ -0.0002632600000000, -0.0000496600000000, 0.0000727600000000 ] - [ 0.0010020800000000, -0.0030636800000000, -0.0077026400000000 ] - [ -0.0025013000000000, 0.0012857800000000, -0.0009634400000000 ] - [ 0.0006210200000000, -0.0010287400000000, -0.0009810100000000 ] - [ -0.0007727300000000, -0.0001357200000000, 0.0004959100000000 ] - [ 0.0030594400000000, 0.0011731200000000, -0.0003862900000000 ] - [ -0.0055507200000000, 0.0006470100000000, 0.0008244100000000 ] - [ -0.0001403200000000, -0.0011197400000000, 0.0002122300000000 ] - [ -0.0003370300000000, 0.0007648300000000, -0.0002702800000000 ] - [ 0.0002557800000000, -0.0010151200000000, -0.0013060800000000 ] - [ -0.0042804800000000, 0.0017636300000000, -0.0017584000000000 ] - [ -0.0005594600000000, 0.0003032600000000, -0.0000166200000000 ] - [ 0.0004347500000000, 0.0007073700000000, 0.0003779000000000 ] - [ -0.0000505300000000, -0.0001112300000000, 0.0001622900000000 ] - [ -0.0013344900000000, -0.0032697000000000, -0.0026279500000000 ] - [ 0.0003204700000000, -0.0008658500000000, -0.0006525100000000 ] - [ 0.0005581900000000, 0.0007709200000000, 0.0004400700000000 ] - [ 0.0001746800000000, -0.0019521300000000, 0.0022578000000000 ] - [ -0.0009351800000000, -0.0000611500000000, 0.0006863000000000 ] - [ -0.0004594400000000, 0.0006442000000000, 0.0009210800000000 ] - [ -0.0021215600000000, 0.0019185800000000, 0.0083695700000000 ] - [ 0.0004342300000000, -0.0004662800000000, 0.0006241900000000 ] - [ -0.0027335800000000, -0.0023997800000000, 0.0024348600000000 ] - [ 0.0004313400000000, -0.0000747800000000, -0.0000496700000000 ] - [ -0.0011332100000000, 0.0002430800000000, -0.0008050400000000 ] - [ 0.0014544000000000, -0.0020498600000000, 0.0003750400000000 ] - [ -0.0011715800000000, -0.0000195700000000, -0.0002941100000000 ] - [ -0.0000565500000000, -0.0008239300000000, -0.0000545500000000 ] - [ 0.0025870200000000, 0.0026360900000000, 0.0006953100000000 ] - [ -0.0003738600000000, 0.0000074400000000, -0.0006436200000000 ] - [ -0.0015145900000000, 0.0017467800000000, -0.0001072500000000 ] - [ -0.1246920000000000, -0.0869206500000000, 0.1350439000000000 ] - [ 0.0040841500000000, 0.0014397400000000, 0.0027666900000000 ] - [ -0.0036678500000000, -0.0003314500000000, 0.0000130800000000 ] - [ 0.0002847300000000, 0.0010035600000000, 0.0009729600000000 ] - [ 0.0017061600000000, -0.0005594400000000, 0.0013163400000000 ] - [ -0.0018462600000000, 0.0013173600000000, -0.0004493500000000 ] - [ 0.0108595800000000, -0.0061858300000000, 0.0054349000000000 ] - [ -0.0018569500000000, 0.0010779900000000, 0.0014901300000000 ] - [ 0.0175568500000000, 0.0047605300000000, -0.0005921100000000 ] - [ 0.0000199300000000, 0.0009811000000000, -0.0005295900000000 ] - [ -0.0021677500000000, -0.0047399100000000, -0.0038672000000000 ] - [ 0.0001458500000000, -0.0000967600000000, -0.0007638800000000 ] - [ 0.0017448000000000, 0.0011384600000000, 0.0008770700000000 ] - [ -0.0008076800000000, 0.0025734200000000, -0.0013157400000000 ] - [ 0.0017051400000000, -0.0030948600000000, -0.0001326800000000 ] - [ 0.0002627200000000, 0.0015076700000000, 0.0003492600000000 ] - [ 0.0066543200000000, -0.0034526200000000, 0.0017544400000000 ] - [ -0.0043688900000000, -0.0008322300000000, 0.0044293700000000 ] - [ 0.0004694100000000, -0.0000049700000000, -0.0000597800000000 ] - [ -0.0009863800000000, 0.0037307600000000, 0.0019338900000000 ] - [ -0.0148408100000000, -0.0084346200000000, 0.0024034300000000 ] - [ 0.0043163600000000, -0.0083312600000000, -0.0031675600000000 ] - [ 0.0014757300000000, 0.0018637800000000, -0.0014430100000000 ] - [ -0.0000715200000000, 0.0003920700000000, 0.0001126700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.1246613400000000, -0.2030555900000000, 0.1884329700000000 ] - [ 0.0006187600000000, 0.0002916100000000, 0.0005050500000000 ] - [ 0.0002831500000000, 0.0001244000000000, -0.0001983600000000 ] - [ -0.0002239800000000, 0.0010065600000000, 0.0000961400000000 ] - [ -0.0000559900000000, -0.0001387100000000, 0.0004526300000000 ] - [ -0.0004210400000000, 0.0010323200000000, -0.0001027000000000 ] - [ -0.0002773700000000, -0.0024402200000000, -0.0006845900000000 ] - [ -0.0023877700000000, 0.0092165100000000, 0.0035010900000000 ] - [ -0.0026010700000000, -0.0102814000000000, 0.0021623100000000 ] - [ 0.0031088600000000, 0.0033068600000000, 0.0029628900000000 ] - [ 0.0001417200000000, -0.0004330500000000, 0.0013169100000000 ] - [ 0.0007838100000000, 0.0018743000000000, -0.0009426200000000 ] - [ 0.0004627400000000, -0.0009491000000000, -0.0006459700000000 ] - [ 0.0005343700000000, 0.0020682200000000, 0.0009295200000000 ] - [ 0.0026560300000000, -0.0052036900000000, 0.0025485800000000 ] - [ -0.0015318400000000, -0.0001298500000000, 0.0019521600000000 ] - [ -0.0093328200000000, 0.0152692600000000, -0.0204957400000000 ] - [ 0.0014546500000000, 0.0018073800000000, -0.0003358100000000 ] - [ 0.0009511400000000, -0.0016694200000000, 0.0008626000000000 ] - [ 0.0305108000000000, 0.0226137200000000, -0.0129982100000000 ] - [ 0.0009628700000000, 0.0019573600000000, -0.0003767300000000 ] - [ 0.0002157700000000, 0.0011728100000000, 0.0000104400000000 ] - [ 0.0057348000000000, -0.0037805100000000, -0.0012173800000000 ] - [ 0.0018838900000000, 0.0029393500000000, 0.0017540600000000 ] - [ -0.0000829500000000, 0.0009391600000000, 0.0006440000000000 ] - [ -0.0002910600000000, 0.0009166800000000, -0.0004872400000000 ] - [ 0.0026813000000000, 0.0019903200000000, 0.0098251000000000 ] - [ -0.0000816600000000, -0.0008273900000000, 0.0009462300000000 ] - [ -0.0002174000000000, 0.0016927200000000, 0.0002153300000000 ] - [ -0.0004647100000000, 0.0011146600000000, 0.0000900400000000 ] - [ -0.0011607700000000, -0.0008513700000000, 0.0003388600000000 ] - [ 0.0046199300000000, -0.0009061700000000, -0.0004049700000000 ] - [ 0.0004429300000000, 0.0029851200000000, -0.0017157300000000 ] - [ -0.0023363800000000, 0.0048116200000000, -0.0028320100000000 ] - [ -0.0000107000000000, 0.0007893900000000, 0.0009326700000000 ] - [ 0.0003498900000000, -0.0027532300000000, -0.0011657200000000 ] - [ 0.0000154500000000, 0.0003738400000000, -0.0002440600000000 ] - [ 0.0002428300000000, -0.0022927500000000, 0.0005558300000000 ] - [ 0.0005168200000000, 0.0030348600000000, 0.0016851700000000 ] - [ 0.0014768200000000, 0.0038428100000000, 0.0024174600000000 ] - [ 0.0000904400000000, 0.0016283900000000, 0.0003178400000000 ] - [ -0.0016099100000000, 0.0031730100000000, 0.0016580600000000 ] - [ -0.0004899700000000, 0.0021510000000000, -0.0031553600000000 ] - [ -0.0002531100000000, -0.0012548900000000, 0.0004725100000000 ] - [ -0.0003674300000000, 0.0002002100000000, 0.0001603400000000 ] - [ 0.0000946600000000, -0.0041267800000000, -0.0040882600000000 ] - [ 0.0003399200000000, 0.0017691200000000, -0.0002260600000000 ] - [ 0.0035805800000000, 0.0030459000000000, -0.0039919600000000 ] - [ -0.0028032800000000, 0.0039099900000000, 0.0004004700000000 ] - [ -0.0037844400000000, -0.0032130300000000, 0.0000172300000000 ] - [ -0.0006984200000000, 0.0009477000000000, 0.0000355800000000 ] - [ 0.0000164100000000, -0.0005316100000000, -0.0001989300000000 ] - [ 0.0000284800000000, 0.0003061000000000, -0.0004374800000000 ] - [ -0.0011433300000000, -0.0013208500000000, -0.0005683400000000 ] - [ -0.0010365600000000, 0.0029217700000000, 0.0004422600000000 ] - [ 0.0007103400000000, -0.0021298500000000, -0.0007519400000000 ] - [ 0.0885872700000000, 0.1590554500000000, -0.1592048200000000 ] - [ -0.0016381500000000, -0.0030643400000000, -0.0013886500000000 ] - [ -0.0009569200000000, 0.0019904300000000, -0.0015563800000000 ] - [ -0.0016592400000000, -0.0030427700000000, 0.0005485000000000 ] - [ -0.0013423900000000, 0.0021066600000000, 0.0000740700000000 ] - [ -0.0005745800000000, -0.0032811100000000, -0.0007791900000000 ] - [ -0.0012276500000000, 0.0083204200000000, -0.0000685400000000 ] - [ 0.0044315900000000, -0.0069901600000000, -0.0066837900000000 ] - [ -0.0173612900000000, -0.0038790200000000, 0.0023267500000000 ] - [ -0.0000586500000000, -0.0054962700000000, -0.0008782500000000 ] - [ 0.0011945500000000, 0.0048673800000000, 0.0032072900000000 ] - [ -0.0001029300000000, -0.0017099600000000, 0.0006594200000000 ] - [ -0.0012121200000000, 0.0043619000000000, 0.0002402300000000 ] - [ -0.0001463400000000, -0.0029521800000000, 0.0026477800000000 ] - [ 0.0150894700000000, -0.0122794700000000, -0.0002878500000000 ] - [ 0.0015570200000000, -0.0048199100000000, 0.0007091100000000 ] - [ -0.0015207400000000, 0.0019656000000000, -0.0006175200000000 ] - [ 0.0016176300000000, 0.0030636100000000, -0.0059130500000000 ] - [ 0.0007247900000000, -0.0046976000000000, 0.0011975100000000 ] - [ -0.0000246400000000, -0.0055689900000000, -0.0016054300000000 ] - [ 0.0054332200000000, 0.0161982100000000, -0.0027565300000000 ] - [ -0.0002716700000000, 0.0038987400000000, -0.0002726900000000 ] - [ 0.0006738600000000, -0.0031973000000000, 0.0012919900000000 ] - [ 0.0016030600000000, -0.0037848900000000, -0.0012661200000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.1269525000000000, 0.2036003700000000, -0.1937852200000000 ] - [ -0.0008910500000000, 0.0002338600000000, -0.0009747900000000 ] - [ 0.0000045000000000, 0.0004161800000000, 0.0006795600000000 ] - [ 0.0005137100000000, -0.0015419200000000, -0.0005809000000000 ] - [ 0.0003444000000000, 0.0006762100000000, -0.0009319700000000 ] - [ 0.0007088000000000, -0.0015703400000000, 0.0005838500000000 ] - [ 0.0000118600000000, 0.0019086200000000, 0.0002090500000000 ] - [ 0.0020737100000000, -0.0085443700000000, -0.0029841300000000 ] - [ 0.0023987200000000, 0.0114200200000000, -0.0016368500000000 ] - [ -0.0034608200000000, -0.0043211500000000, -0.0037088200000000 ] - [ 0.0002412000000000, -0.0006113300000000, -0.0005337600000000 ] - [ -0.0004008500000000, -0.0008302600000000, 0.0001617300000000 ] - [ -0.0000791500000000, -0.0000940900000000, -0.0001347700000000 ] - [ -0.0001549700000000, -0.0010229900000000, -0.0001524600000000 ] - [ -0.0030589300000000, 0.0062324900000000, -0.0033180000000000 ] - [ 0.0011304100000000, -0.0009345800000000, -0.0011489000000000 ] - [ 0.0098576200000000, -0.0152322100000000, 0.0215235300000000 ] - [ -0.0009712800000000, -0.0018474500000000, -0.0003644300000000 ] - [ -0.0014356500000000, 0.0016362200000000, -0.0001570800000000 ] - [ -0.0318400600000000, -0.0247950300000000, 0.0134946800000000 ] - [ -0.0014365300000000, -0.0019108500000000, -0.0003303800000000 ] - [ -0.0006978300000000, -0.0011361100000000, 0.0006887600000000 ] - [ -0.0052811300000000, 0.0038458500000000, 0.0005236500000000 ] - [ -0.0013991500000000, -0.0029700200000000, -0.0010372700000000 ] - [ -0.0002880200000000, -0.0009395000000000, -0.0010404900000000 ] - [ -0.0000811500000000, -0.0009156500000000, 0.0008795100000000 ] - [ -0.0022891400000000, -0.0019989600000000, -0.0101505600000000 ] - [ 0.0004685100000000, 0.0008132000000000, -0.0005354900000000 ] - [ 0.0000910400000000, -0.0016944100000000, -0.0011450500000000 ] - [ 0.0003362900000000, -0.0011126100000000, 0.0008358700000000 ] - [ 0.0012635500000000, 0.0008357800000000, -0.0012791000000000 ] - [ -0.0044265400000000, 0.0008963900000000, 0.0013261700000000 ] - [ -0.0003225500000000, -0.0024443600000000, 0.0009030500000000 ] - [ 0.0024476300000000, -0.0053381300000000, 0.0036317400000000 ] - [ -0.0001148300000000, -0.0013371500000000, -0.0017560200000000 ] - [ -0.0004452600000000, 0.0032798700000000, 0.0019863200000000 ] - [ -0.0001318500000000, -0.0009191300000000, 0.0010603100000000 ] - [ -0.0003670600000000, 0.0028341500000000, -0.0013778600000000 ] - [ -0.0003974500000000, -0.0024878700000000, -0.0008669200000000 ] - [ -0.0013699500000000, -0.0043993500000000, -0.0032442700000000 ] - [ 0.0005686300000000, -0.0017802100000000, -0.0011403200000000 ] - [ 0.0022696400000000, -0.0030130400000000, -0.0008241500000000 ] - [ -0.0001731900000000, -0.0019833700000000, 0.0023032100000000 ] - [ -0.0004019100000000, 0.0011070300000000, 0.0003399400000000 ] - [ -0.0002916900000000, -0.0000557200000000, 0.0006543800000000 ] - [ -0.0007535300000000, 0.0039439100000000, 0.0032341400000000 ] - [ 0.0003201800000000, -0.0019183000000000, 0.0010512800000000 ] - [ -0.0029382400000000, -0.0029050700000000, 0.0031943900000000 ] - [ 0.0019336200000000, -0.0021190700000000, -0.0001004300000000 ] - [ 0.0029289200000000, 0.0014347900000000, -0.0003082500000000 ] - [ 0.0015450800000000, -0.0027246700000000, 0.0002533800000000 ] - [ 0.0008485600000000, 0.0023235900000000, -0.0000962200000000 ] - [ 0.0008328900000000, -0.0020906900000000, 0.0001407300000000 ] - [ 0.0019906900000000, 0.0031000700000000, 0.0008548200000000 ] - [ 0.0001831200000000, -0.0011349000000000, -0.0007305300000000 ] - [ -0.0011866200000000, 0.0020817700000000, 0.0000429400000000 ] - [ -0.0899125000000000, -0.1603864000000000, 0.1634544200000000 ] - [ 0.0033649100000000, 0.0030433700000000, 0.0027975400000000 ] - [ -0.0007819100000000, -0.0020239600000000, 0.0001256800000000 ] - [ -0.0000950300000000, 0.0030576600000000, 0.0008851700000000 ] - [ -0.0004152300000000, -0.0021321600000000, 0.0013577100000000 ] - [ -0.0011701400000000, 0.0032954900000000, -0.0006558300000000 ] - [ 0.0029672800000000, -0.0083243100000000, 0.0014809800000000 ] - [ -0.0026412200000000, 0.0069545800000000, 0.0051816700000000 ] - [ 0.0180432000000000, 0.0045819600000000, -0.0012786800000000 ] - [ 0.0007278100000000, 0.0047308900000000, -0.0001889200000000 ] - [ -0.0018512000000000, -0.0056004400000000, -0.0021140100000000 ] - [ -0.0005724200000000, 0.0024648600000000, -0.0017111100000000 ] - [ 0.0005271700000000, -0.0051256700000000, -0.0012913600000000 ] - [ -0.0005256300000000, 0.0036943600000000, -0.0015538000000000 ] - [ -0.0143954700000000, 0.0130031200000000, -0.0007745300000000 ] - [ -0.0008771100000000, 0.0040677200000000, 0.0003510300000000 ] - [ 0.0019309200000000, -0.0019355300000000, -0.0000194700000000 ] - [ -0.0011198600000000, -0.0030417500000000, 0.0065465500000000 ] - [ -0.0011726500000000, 0.0046797200000000, -0.0018025000000000 ] - [ -0.0004318000000000, 0.0055709100000000, 0.0022223100000000 ] - [ -0.0064086000000000, -0.0157072100000000, 0.0020887800000000 ] - [ -0.0014933900000000, -0.0037785100000000, 0.0007482900000000 ] - [ 0.0010269900000000, 0.0031875300000000, -0.0017327900000000 ] - [ 0.0000964700000000, 0.0037782700000000, 0.0017012400000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.1604982900000000, 0.1960228300000000, -0.3381560400000000 ] - [ -0.0011375700000000, 0.0010087300000000, -0.0012444800000000 ] - [ 0.0004458700000000, 0.0007029400000000, 0.0015792100000000 ] - [ 0.0002516100000000, -0.0006045000000000, -0.0002444200000000 ] - [ 0.0001315700000000, 0.0009579000000000, -0.0005322600000000 ] - [ 0.0002774100000000, -0.0006107200000000, 0.0004532500000000 ] - [ -0.0020455500000000, 0.0001796100000000, -0.0011035000000000 ] - [ 0.0014132800000000, -0.0029838500000000, -0.0024665300000000 ] - [ -0.0173774200000000, -0.0041572900000000, 0.0152743000000000 ] - [ -0.0023964700000000, -0.0031507600000000, -0.0033506500000000 ] - [ 0.0002659100000000, 0.0006698300000000, 0.0010038300000000 ] - [ 0.0000427100000000, 0.0000974500000000, -0.0001006100000000 ] - [ -0.0001715200000000, 0.0000811500000000, 0.0001912600000000 ] - [ 0.0000914400000000, 0.0001622000000000, 0.0003495500000000 ] - [ -0.0023559000000000, 0.0031664800000000, -0.0040786000000000 ] - [ 0.0006359700000000, 0.0005754000000000, -0.0010261400000000 ] - [ 0.0107840300000000, -0.0235899500000000, 0.0117391600000000 ] - [ -0.0002604500000000, -0.0005579900000000, -0.0005838700000000 ] - [ 0.0001153500000000, 0.0009501200000000, 0.0017546300000000 ] - [ -0.0033690700000000, -0.0027623800000000, -0.0037411400000000 ] - [ -0.0005051500000000, -0.0004775400000000, 0.0000945700000000 ] - [ -0.0004572500000000, -0.0003937200000000, 0.0006728800000000 ] - [ -0.0009333500000000, 0.0005369200000000, -0.0008909800000000 ] - [ -0.0001930600000000, -0.0008614700000000, -0.0004970200000000 ] - [ -0.0001798000000000, -0.0001005200000000, -0.0005014300000000 ] - [ -0.0001419100000000, -0.0003386500000000, 0.0011760600000000 ] - [ 0.0037781600000000, 0.0052419700000000, 0.0056914400000000 ] - [ -0.0004469900000000, 0.0004426700000000, -0.0023263700000000 ] - [ 0.0000151900000000, -0.0003451700000000, -0.0008529100000000 ] - [ 0.0006531300000000, -0.0006045000000000, 0.0008119600000000 ] - [ 0.0011919600000000, 0.0009124500000000, 0.0015381400000000 ] - [ -0.0017780600000000, -0.0002512400000000, 0.0002348000000000 ] - [ 0.0000149400000000, -0.0003562300000000, -0.0001912700000000 ] - [ 0.0025773100000000, -0.0052365900000000, 0.0032499700000000 ] - [ 0.0006297000000000, 0.0011201000000000, 0.0019390500000000 ] - [ 0.0030445200000000, 0.0002649000000000, 0.0021396900000000 ] - [ -0.0000544900000000, -0.0012606900000000, 0.0008631100000000 ] - [ 0.0008200900000000, -0.0010819400000000, 0.0041083800000000 ] - [ -0.0000321800000000, -0.0010604500000000, -0.0000914400000000 ] - [ -0.0002399100000000, -0.0015553500000000, -0.0014797800000000 ] - [ 0.0004011000000000, -0.0005721800000000, -0.0007048900000000 ] - [ 0.0015080500000000, -0.0023687600000000, -0.0024747200000000 ] - [ -0.0003705800000000, -0.0015287700000000, 0.0019287500000000 ] - [ -0.0006045400000000, -0.0005240500000000, 0.0030378500000000 ] - [ -0.0004191700000000, 0.0004518400000000, 0.0015107800000000 ] - [ -0.0066653900000000, 0.0016340800000000, 0.0126437800000000 ] - [ 0.0003452900000000, -0.0006252500000000, 0.0003623500000000 ] - [ -0.0000316800000000, -0.0006713600000000, -0.0003726800000000 ] - [ 0.0002945300000000, 0.0001552600000000, -0.0002711800000000 ] - [ 0.0025214100000000, 0.0000821900000000, -0.0006235600000000 ] - [ 0.0006947100000000, -0.0012595300000000, 0.0005993100000000 ] - [ 0.0009024100000000, 0.0017824300000000, 0.0003182200000000 ] - [ 0.0006075100000000, -0.0013967500000000, 0.0001654900000000 ] - [ 0.0014137400000000, 0.0021665000000000, 0.0021592100000000 ] - [ -0.0001757700000000, 0.0000567400000000, -0.0006658700000000 ] - [ -0.0012287600000000, 0.0020932900000000, 0.0009089700000000 ] - [ -0.1461573000000000, -0.1716040100000000, 0.2993270800000000 ] - [ 0.0022321500000000, 0.0007245400000000, 0.0028615800000000 ] - [ -0.0013104300000000, -0.0024301000000000, -0.0042429500000000 ] - [ -0.0007572700000000, 0.0010377100000000, 0.0005038800000000 ] - [ 0.0000932400000000, -0.0020987300000000, 0.0005182500000000 ] - [ -0.0008707400000000, 0.0008518500000000, -0.0010251600000000 ] - [ 0.0022685500000000, -0.0033394400000000, 0.0045592200000000 ] - [ -0.0009053200000000, 0.0012381200000000, 0.0034054000000000 ] - [ 0.0045841400000000, 0.0033720300000000, 0.0013840400000000 ] - [ 0.0001704600000000, 0.0013385900000000, -0.0000375500000000 ] - [ -0.0011350100000000, -0.0045812300000000, -0.0101369400000000 ] - [ -0.0004967200000000, 0.0015562000000000, -0.0022668200000000 ] - [ -0.0023686600000000, -0.0016898800000000, -0.0052228900000000 ] - [ -0.0002428100000000, 0.0010926200000000, -0.0027249700000000 ] - [ -0.0134985800000000, 0.0128107500000000, 0.0034842000000000 ] - [ 0.0001025500000000, 0.0007100500000000, 0.0008004100000000 ] - [ -0.0001454600000000, 0.0019590500000000, 0.0031771200000000 ] - [ -0.0019546000000000, -0.0003068900000000, -0.0061704600000000 ] - [ -0.0015160900000000, 0.0029858400000000, -0.0021412500000000 ] - [ -0.0005107500000000, 0.0012182600000000, 0.0012076900000000 ] - [ 0.0034436700000000, 0.0027131200000000, 0.0060044200000000 ] - [ 0.0043160600000000, -0.0086119900000000, -0.0034163200000000 ] - [ 0.0007633500000000, 0.0006888700000000, -0.0012055000000000 ] - [ 0.0011004200000000, 0.0001368200000000, 0.0014299000000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.1524344100000000, -0.1863253300000000, 0.3275025100000000 ] - [ 0.0008432800000000, -0.0004636100000000, 0.0007544500000000 ] - [ -0.0001587400000000, -0.0001677600000000, -0.0010908100000000 ] - [ 0.0000397500000000, 0.0000637000000000, -0.0002454400000000 ] - [ 0.0001585000000000, -0.0004185300000000, 0.0000475700000000 ] - [ 0.0000130000000000, 0.0000681500000000, 0.0000345200000000 ] - [ 0.0017375100000000, -0.0007210000000000, 0.0006039500000000 ] - [ -0.0017079400000000, 0.0035088500000000, 0.0029612400000000 ] - [ 0.0165244600000000, 0.0051001100000000, -0.0141365600000000 ] - [ 0.0020257700000000, 0.0021191000000000, 0.0025898200000000 ] - [ 0.0001180500000000, -0.0017206900000000, -0.0002180500000000 ] - [ 0.0003360200000000, 0.0009443900000000, -0.0006746400000000 ] - [ 0.0005512800000000, -0.0011272300000000, -0.0009688300000000 ] - [ 0.0002844300000000, 0.0008795700000000, 0.0004251000000000 ] - [ 0.0019352500000000, -0.0021157800000000, 0.0032847700000000 ] - [ -0.0010087400000000, -0.0016154400000000, 0.0017963400000000 ] - [ -0.0101400500000000, 0.0231680700000000, -0.0108150000000000 ] - [ 0.0007446400000000, 0.0005196300000000, -0.0001149100000000 ] - [ -0.0006045000000000, -0.0009931900000000, -0.0010572100000000 ] - [ 0.0026483100000000, 0.0011055100000000, 0.0039240000000000 ] - [ 0.0000248100000000, 0.0005166800000000, -0.0007933500000000 ] - [ -0.0000217200000000, 0.0004351400000000, 0.0000245400000000 ] - [ 0.0014311900000000, -0.0005054100000000, 0.0001840600000000 ] - [ 0.0006700900000000, 0.0008176800000000, 0.0011927800000000 ] - [ -0.0001883700000000, 0.0001005800000000, 0.0001147500000000 ] - [ -0.0002245600000000, 0.0003342700000000, -0.0007788900000000 ] - [ -0.0033698100000000, -0.0051937400000000, -0.0060965100000000 ] - [ 0.0008192400000000, -0.0004429300000000, 0.0027102600000000 ] - [ -0.0001516300000000, 0.0003475500000000, -0.0000732700000000 ] - [ -0.0007776500000000, 0.0006013000000000, 0.0001160900000000 ] - [ -0.0010474600000000, -0.0009039400000000, -0.0024675200000000 ] - [ 0.0019156100000000, 0.0002501800000000, 0.0006935300000000 ] - [ 0.0001157400000000, 0.0008981500000000, -0.0006230300000000 ] - [ -0.0024275600000000, 0.0046593800000000, -0.0024170100000000 ] - [ -0.0007560900000000, -0.0016655500000000, -0.0027661000000000 ] - [ -0.0031878600000000, 0.0002795300000000, -0.0013148500000000 ] - [ -0.0000736900000000, 0.0007188300000000, -0.0000442200000000 ] - [ -0.0009466000000000, 0.0016324400000000, -0.0049347200000000 ] - [ 0.0001594200000000, 0.0015934100000000, 0.0009058300000000 ] - [ 0.0003733300000000, 0.0010260100000000, 0.0006737700000000 ] - [ 0.0002601800000000, 0.0004188100000000, -0.0001223000000000 ] - [ -0.0008413600000000, 0.0025076700000000, 0.0032800700000000 ] - [ -0.0002877400000000, 0.0016790700000000, -0.0027558200000000 ] - [ -0.0000595000000000, 0.0003717500000000, -0.0021986100000000 ] - [ -0.0002418800000000, -0.0002944500000000, -0.0006781700000000 ] - [ 0.0061091100000000, -0.0017593500000000, -0.0135777600000000 ] - [ 0.0003140900000000, 0.0004712300000000, 0.0004642200000000 ] - [ 0.0007083600000000, 0.0008361000000000, -0.0004774900000000 ] - [ -0.0011478900000000, 0.0016206500000000, 0.0005683700000000 ] - [ -0.0033519300000000, -0.0018514800000000, 0.0003198000000000 ] - [ 0.0001586400000000, -0.0005189600000000, -0.0003013900000000 ] - [ -0.0000491600000000, -0.0000038200000000, -0.0006136600000000 ] - [ 0.0002488900000000, -0.0003807800000000, -0.0004636200000000 ] - [ -0.0005494800000000, -0.0003829100000000, -0.0018542100000000 ] - [ -0.0006805600000000, 0.0017231800000000, 0.0003677900000000 ] - [ 0.0007480800000000, -0.0021334100000000, -0.0016044300000000 ] - [ 0.1396698100000000, 0.1617662800000000, -0.2899911200000000 ] - [ -0.0004837100000000, -0.0007449800000000, -0.0014228900000000 ] - [ -0.0004393300000000, 0.0024177600000000, 0.0028054300000000 ] - [ -0.0009919600000000, -0.0010200700000000, 0.0009300500000000 ] - [ -0.0018433500000000, 0.0020812100000000, 0.0009119700000000 ] - [ -0.0008801300000000, -0.0008353300000000, -0.0004104600000000 ] - [ -0.0005077700000000, 0.0033416900000000, -0.0030757000000000 ] - [ 0.0026471600000000, -0.0012410800000000, -0.0048273400000000 ] - [ -0.0039889400000000, -0.0026296100000000, -0.0003085800000000 ] - [ 0.0005074300000000, -0.0020847500000000, -0.0010206100000000 ] - [ 0.0004600800000000, 0.0038176300000000, 0.0111681000000000 ] - [ -0.0001775300000000, -0.0008093400000000, 0.0012002800000000 ] - [ 0.0016985600000000, 0.0009418400000000, 0.0041448400000000 ] - [ -0.0004313000000000, -0.0003397500000000, 0.0037893500000000 ] - [ 0.0140842500000000, -0.0120076300000000, -0.0044959800000000 ] - [ 0.0005675200000000, -0.0014637200000000, 0.0002629400000000 ] - [ 0.0005854100000000, -0.0019492200000000, -0.0037940800000000 ] - [ 0.0023869900000000, 0.0002931200000000, 0.0068166700000000 ] - [ 0.0010553300000000, -0.0029727100000000, 0.0015278900000000 ] - [ 0.0000625200000000, -0.0012324500000000, -0.0006082600000000 ] - [ -0.0051111700000000, -0.0026673200000000, -0.0064795000000000 ] - [ -0.0059925100000000, 0.0085513400000000, 0.0038362100000000 ] - [ 0.0009379800000000, -0.0006926000000000, 0.0007710200000000 ] - [ 0.0006045000000000, -0.0001317400000000, -0.0009920200000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0060996200000000, -0.0027805500000000, -0.0168532500000000 ] - [ 0.0034388100000000, -0.0030043200000000, 0.0019682800000000 ] - [ -0.0007267500000000, 0.0002195700000000, 0.0001598500000000 ] - [ 0.0006802900000000, -0.0008590900000000, -0.0003808700000000 ] - [ 0.0008949600000000, 0.0005385300000000, -0.0005953800000000 ] - [ -0.0000598700000000, -0.0006123300000000, 0.0003300700000000 ] - [ 0.0121480100000000, 0.0025825100000000, 0.0019157500000000 ] - [ -0.0014059800000000, 0.0015983500000000, 0.0010570400000000 ] - [ -0.2434673100000000, 0.1509095800000000, 0.2066565400000000 ] - [ 0.0017960000000000, 0.0001485000000000, 0.0007322300000000 ] - [ -0.0003520800000000, -0.0007978700000000, 0.0000857500000000 ] - [ 0.0003949000000000, 0.0000229700000000, -0.0002509100000000 ] - [ 0.0007482000000000, -0.0002440400000000, -0.0005395400000000 ] - [ -0.0003612000000000, -0.0000292100000000, 0.0001591700000000 ] - [ 0.0037614200000000, 0.0008719500000000, 0.0015879200000000 ] - [ -0.0031778700000000, -0.0030328200000000, 0.0023480400000000 ] - [ 0.0308016800000000, -0.0292911700000000, -0.0059291400000000 ] - [ -0.0000042800000000, -0.0010403200000000, 0.0000634300000000 ] - [ -0.0020123500000000, 0.0016029400000000, -0.0000300400000000 ] - [ -0.0116064300000000, -0.0000652800000000, 0.0021747200000000 ] - [ 0.0002387100000000, 0.0002482600000000, -0.0003098600000000 ] - [ -0.0014256000000000, -0.0014606300000000, 0.0002354100000000 ] - [ 0.0022165000000000, 0.0035584000000000, 0.0013078300000000 ] - [ -0.0005243000000000, -0.0005642100000000, 0.0004795200000000 ] - [ -0.0003616400000000, -0.0001550100000000, -0.0002412400000000 ] - [ 0.0000580000000000, -0.0005762000000000, 0.0008122300000000 ] - [ 0.0031023900000000, 0.0038601800000000, 0.0024993400000000 ] - [ 0.0048764400000000, -0.0047612700000000, 0.0079609400000000 ] - [ -0.0006948800000000, -0.0002887500000000, -0.0005535900000000 ] - [ 0.0010070800000000, -0.0005651100000000, 0.0006163900000000 ] - [ -0.0032219100000000, 0.0026847300000000, 0.0022751300000000 ] - [ 0.0023463600000000, 0.0004235700000000, 0.0017610700000000 ] - [ -0.0002025100000000, -0.0003797200000000, -0.0000201600000000 ] - [ 0.0024174300000000, -0.0043956500000000, 0.0032208400000000 ] - [ 0.0001632900000000, 0.0008480200000000, 0.0009141100000000 ] - [ -0.0008394800000000, 0.0014805000000000, 0.0007523500000000 ] - [ -0.0004384300000000, -0.0011445800000000, 0.0013639100000000 ] - [ -0.0000930000000000, 0.0006914900000000, -0.0001330200000000 ] - [ 0.0000927700000000, -0.0010265300000000, -0.0001109100000000 ] - [ -0.0009375500000000, -0.0005470300000000, -0.0001262300000000 ] - [ 0.0002740500000000, -0.0004301600000000, -0.0005422600000000 ] - [ 0.0026267700000000, -0.0038997000000000, -0.0021881700000000 ] - [ -0.0002525600000000, 0.0006114900000000, -0.0006280400000000 ] - [ 0.0001893600000000, 0.0018131800000000, -0.0038176400000000 ] - [ -0.0003475000000000, -0.0027071300000000, -0.0032426400000000 ] - [ 0.0007268600000000, -0.0002256300000000, -0.0021004700000000 ] - [ 0.0004731000000000, -0.0008876400000000, 0.0007217400000000 ] - [ -0.0004180300000000, 0.0013124300000000, 0.0002951200000000 ] - [ -0.0007499100000000, 0.0004799300000000, 0.0005318600000000 ] - [ 0.0069507300000000, 0.0023114100000000, 0.0003388500000000 ] - [ -0.0000883300000000, -0.0006099000000000, 0.0001699200000000 ] - [ 0.0017108200000000, 0.0024315700000000, -0.0003646600000000 ] - [ 0.0015274700000000, -0.0022111000000000, -0.0003421000000000 ] - [ -0.0002563600000000, 0.0003097800000000, 0.0006985200000000 ] - [ 0.0008574500000000, -0.0004746700000000, 0.0000324300000000 ] - [ 0.0008913800000000, -0.0007186100000000, -0.0002482500000000 ] - [ 0.1961101200000000, -0.1035577700000000, -0.1789262900000000 ] - [ -0.0019408100000000, 0.0025615000000000, -0.0015319100000000 ] - [ 0.0018892200000000, 0.0001823200000000, -0.0009867000000000 ] - [ -0.0021477300000000, 0.0014039400000000, 0.0003828800000000 ] - [ -0.0032436500000000, -0.0009318200000000, 0.0003394400000000 ] - [ 0.0006284100000000, 0.0009457700000000, -0.0011260200000000 ] - [ -0.0110611300000000, -0.0075355000000000, -0.0045462100000000 ] - [ 0.0042986600000000, 0.0003107000000000, -0.0029462900000000 ] - [ 0.0061940700000000, -0.0050353800000000, -0.0041636500000000 ] - [ -0.0005537300000000, 0.0012151800000000, -0.0004772300000000 ] - [ -0.0011349500000000, 0.0005197400000000, 0.0014080100000000 ] - [ -0.0005576300000000, 0.0028720000000000, 0.0010535600000000 ] - [ 0.0003646700000000, -0.0042241900000000, 0.0028860500000000 ] - [ -0.0002931200000000, -0.0005872600000000, 0.0005477000000000 ] - [ -0.0138082700000000, 0.0123848500000000, -0.0020753100000000 ] - [ 0.0008123500000000, 0.0011818000000000, 0.0002923800000000 ] - [ -0.0002799400000000, -0.0010752600000000, -0.0070634800000000 ] - [ 0.0013227300000000, -0.0030725900000000, -0.0064114300000000 ] - [ -0.0019699800000000, 0.0032628300000000, -0.0015339300000000 ] - [ 0.0005091200000000, 0.0006820400000000, 0.0003559300000000 ] - [ -0.0086520200000000, -0.0063799400000000, 0.0015730600000000 ] - [ 0.0124078200000000, -0.0090736600000000, -0.0053459500000000 ] - [ 0.0006282900000000, 0.0002322300000000, 0.0000908700000000 ] - [ 0.0009927700000000, 0.0019449000000000, 0.0015265800000000 ]- atom: 9 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0064767900000000, 0.0022224700000000, 0.0170574600000000 ] - [ -0.0037530100000000, 0.0035654400000000, -0.0024660200000000 ] - [ 0.0010160700000000, 0.0003200700000000, 0.0003200200000000 ] - [ -0.0003880100000000, 0.0003223700000000, -0.0001020500000000 ] - [ -0.0006021000000000, -0.0000026500000000, 0.0001155400000000 ] - [ 0.0003512800000000, 0.0000740500000000, 0.0001507400000000 ] - [ -0.0125970600000000, -0.0031327300000000, -0.0023896100000000 ] - [ 0.0011129900000000, -0.0010642100000000, -0.0005747800000000 ] - [ 0.2393232600000000, -0.1454341100000000, -0.1984693400000000 ] - [ -0.0021794400000000, -0.0011910900000000, -0.0015180600000000 ] - [ 0.0007307700000000, -0.0002461200000000, 0.0006998200000000 ] - [ -0.0000129500000000, 0.0010210800000000, -0.0005279600000000 ] - [ -0.0003634200000000, -0.0008019500000000, -0.0002407000000000 ] - [ 0.0007389200000000, 0.0010719000000000, 0.0006190400000000 ] - [ -0.0041459000000000, 0.0001751500000000, -0.0023857400000000 ] - [ 0.0028118400000000, 0.0019830600000000, -0.0015798000000000 ] - [ -0.0298270100000000, 0.0287878600000000, 0.0065116400000000 ] - [ 0.0004906600000000, 0.0010105500000000, -0.0007661400000000 ] - [ 0.0015401900000000, -0.0016500800000000, 0.0007369700000000 ] - [ 0.0107543500000000, -0.0014242800000000, -0.0017118800000000 ] - [ -0.0007159600000000, -0.0002091200000000, -0.0003883700000000 ] - [ 0.0009562500000000, 0.0015096600000000, 0.0004643300000000 ] - [ -0.0017375200000000, -0.0035805900000000, -0.0020545300000000 ] - [ 0.0009994000000000, 0.0005244000000000, 0.0002151400000000 ] - [ -0.0000065800000000, 0.0001584400000000, -0.0001409900000000 ] - [ -0.0004266700000000, 0.0005718500000000, -0.0004163800000000 ] - [ -0.0027037400000000, -0.0038215600000000, -0.0028936100000000 ] - [ -0.0045271200000000, 0.0048127100000000, -0.0076334900000000 ] - [ 0.0005588300000000, 0.0002995700000000, -0.0003621000000000 ] - [ -0.0011279200000000, 0.0005617400000000, 0.0003060300000000 ] - [ 0.0033368700000000, -0.0026872300000000, -0.0032103200000000 ] - [ -0.0022173500000000, -0.0004260000000000, -0.0008426100000000 ] - [ 0.0003307700000000, 0.0009318400000000, -0.0007941200000000 ] - [ -0.0022759900000000, 0.0038175500000000, -0.0023865700000000 ] - [ -0.0002890700000000, -0.0013916500000000, -0.0017247100000000 ] - [ 0.0007219800000000, -0.0009441900000000, 0.0000658500000000 ] - [ 0.0003194800000000, 0.0006016300000000, -0.0005495700000000 ] - [ -0.0000332600000000, -0.0001479300000000, -0.0006721400000000 ] - [ 0.0000297000000000, 0.0015622600000000, 0.0009231300000000 ] - [ 0.0010843100000000, 0.0000299000000000, -0.0006705500000000 ] - [ 0.0003887900000000, 0.0002809400000000, -0.0002873100000000 ] - [ -0.0019540200000000, 0.0040132500000000, 0.0029780200000000 ] - [ -0.0004078200000000, -0.0004608600000000, -0.0002000900000000 ] - [ -0.0008516500000000, -0.0019766600000000, 0.0046782900000000 ] - [ -0.0003125200000000, 0.0028831000000000, 0.0041055500000000 ] - [ -0.0013908400000000, 0.0000746600000000, 0.0012781700000000 ] - [ 0.0001862200000000, 0.0007340900000000, 0.0001048000000000 ] - [ 0.0011047800000000, -0.0011539300000000, -0.0011477600000000 ] - [ -0.0001055000000000, 0.0013006100000000, -0.0002334600000000 ] - [ -0.0077685800000000, -0.0040923200000000, -0.0006397000000000 ] - [ 0.0009430500000000, -0.0011689700000000, 0.0001285800000000 ] - [ -0.0008521300000000, -0.0006527300000000, 0.0000685800000000 ] - [ -0.0006747400000000, 0.0004383500000000, 0.0000457600000000 ] - [ 0.0011094700000000, 0.0014688200000000, -0.0003978300000000 ] - [ -0.0017179200000000, 0.0022599200000000, -0.0003348200000000 ] - [ -0.0013718000000000, 0.0006825100000000, -0.0004475900000000 ] - [ -0.1905853900000000, 0.0988187900000000, 0.1699535200000000 ] - [ 0.0036979800000000, -0.0025945000000000, 0.0029857800000000 ] - [ -0.0036339900000000, -0.0001979400000000, -0.0004484400000000 ] - [ 0.0004014000000000, -0.0013953900000000, 0.0010519200000000 ] - [ 0.0014917800000000, 0.0009184200000000, 0.0010928100000000 ] - [ -0.0023830200000000, -0.0009394500000000, -0.0003075800000000 ] - [ 0.0127908700000000, 0.0075714800000000, 0.0060396500000000 ] - [ -0.0025441200000000, -0.0003163000000000, 0.0015152000000000 ] - [ -0.0057496900000000, 0.0057471400000000, 0.0052857300000000 ] - [ 0.0012329600000000, -0.0019620900000000, -0.0005790400000000 ] - [ 0.0004775100000000, -0.0012669900000000, -0.0003610200000000 ] - [ -0.0001153800000000, -0.0021369300000000, -0.0021311600000000 ] - [ -0.0010511000000000, 0.0034979500000000, -0.0039708000000000 ] - [ -0.0003746100000000, 0.0013381000000000, 0.0005100300000000 ] - [ 0.0144579700000000, -0.0116210600000000, 0.0010176200000000 ] - [ -0.0001460200000000, -0.0019439700000000, 0.0007722600000000 ] - [ 0.0007197800000000, 0.0010990800000000, 0.0064496400000000 ] - [ -0.0008205400000000, 0.0030802300000000, 0.0070215800000000 ] - [ 0.0015057200000000, -0.0032470700000000, 0.0009117700000000 ] - [ -0.0009617400000000, -0.0007177300000000, 0.0002389900000000 ] - [ 0.0069782700000000, 0.0064001200000000, -0.0020068100000000 ] - [ -0.0143052600000000, 0.0096450800000000, 0.0061533400000000 ] - [ 0.0010670100000000, -0.0002460300000000, -0.0005238000000000 ] - [ 0.0007237500000000, -0.0019417600000000, -0.0010839300000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0024588700000000, -0.0110960200000000, -0.0042826700000000 ] - [ -0.0039118500000000, 0.0041034600000000, -0.0028939700000000 ] - [ 0.0001319500000000, 0.0003594700000000, -0.0009529700000000 ] - [ -0.0004068500000000, 0.0010847400000000, 0.0001804200000000 ] - [ 0.0000100300000000, -0.0001580000000000, 0.0003633300000000 ] - [ -0.0003454100000000, 0.0012768900000000, -0.0001159100000000 ] - [ -0.0041819400000000, -0.0060082900000000, -0.0029004800000000 ] - [ 0.0009095700000000, 0.0006603000000000, -0.0008611200000000 ] - [ 0.1469321600000000, -0.1828724700000000, -0.1617419100000000 ] - [ -0.0008636900000000, -0.0000776700000000, -0.0012609300000000 ] - [ -0.0000884000000000, -0.0007120600000000, 0.0007868000000000 ] - [ 0.0006855100000000, 0.0021183100000000, -0.0009524800000000 ] - [ 0.0004624600000000, -0.0009922100000000, -0.0007597300000000 ] - [ 0.0007376500000000, 0.0021635000000000, 0.0011336300000000 ] - [ 0.0001507600000000, -0.0026795100000000, 0.0000372200000000 ] - [ 0.0023417800000000, 0.0057398500000000, -0.0022422000000000 ] - [ -0.0281828300000000, 0.0162704600000000, 0.0060208300000000 ] - [ 0.0012973900000000, 0.0023491100000000, -0.0009582100000000 ] - [ 0.0013362900000000, -0.0024894300000000, 0.0010751100000000 ] - [ 0.0029034200000000, 0.0246241900000000, 0.0259269100000000 ] - [ 0.0004760200000000, 0.0014308000000000, 0.0000026800000000 ] - [ 0.0010235800000000, 0.0022070000000000, 0.0005086100000000 ] - [ 0.0069628600000000, -0.0038071600000000, -0.0012384100000000 ] - [ 0.0021788600000000, 0.0024361900000000, 0.0003480400000000 ] - [ -0.0000216700000000, 0.0010841300000000, 0.0008141300000000 ] - [ -0.0002497500000000, 0.0008661100000000, -0.0004087800000000 ] - [ 0.0037637100000000, -0.0000560200000000, -0.0005132000000000 ] - [ -0.0054206800000000, 0.0021972400000000, -0.0071847500000000 ] - [ -0.0003395500000000, 0.0021158900000000, 0.0004691600000000 ] - [ -0.0002184500000000, 0.0010996900000000, 0.0000747500000000 ] - [ 0.0081349400000000, 0.0038448900000000, 0.0066739200000000 ] - [ -0.0011397400000000, -0.0008603100000000, -0.0009268600000000 ] - [ 0.0006034500000000, 0.0033474000000000, -0.0018613700000000 ] - [ -0.0016178600000000, 0.0033160400000000, -0.0020845200000000 ] - [ 0.0013644900000000, 0.0011526700000000, 0.0005655400000000 ] - [ 0.0007642900000000, -0.0024374200000000, -0.0006763700000000 ] - [ 0.0000087400000000, 0.0001687300000000, -0.0000418300000000 ] - [ 0.0013361100000000, -0.0030039300000000, 0.0011190800000000 ] - [ 0.0004438700000000, 0.0027320100000000, 0.0015477100000000 ] - [ 0.0019889400000000, 0.0045867600000000, 0.0026476200000000 ] - [ 0.0002103900000000, 0.0019341100000000, 0.0001787100000000 ] - [ -0.0013208600000000, 0.0032785100000000, 0.0023566000000000 ] - [ -0.0001994700000000, 0.0003274800000000, -0.0001155100000000 ] - [ -0.0007359600000000, -0.0034709800000000, 0.0036785400000000 ] - [ -0.0005346700000000, 0.0032700300000000, 0.0047356000000000 ] - [ -0.0005184800000000, -0.0013655500000000, -0.0006783600000000 ] - [ 0.0002048500000000, 0.0016922200000000, -0.0004121100000000 ] - [ 0.0033374100000000, 0.0037252200000000, -0.0025740500000000 ] - [ -0.0016248800000000, 0.0037615500000000, -0.0007926400000000 ] - [ -0.0053735300000000, -0.0031037000000000, -0.0008805600000000 ] - [ -0.0000190000000000, 0.0007156800000000, 0.0005663900000000 ] - [ -0.0005503400000000, -0.0010278300000000, 0.0003155100000000 ] - [ -0.0008031100000000, 0.0010676000000000, 0.0000938100000000 ] - [ -0.0009337500000000, -0.0010694400000000, -0.0003359700000000 ] - [ -0.0018160600000000, 0.0031826600000000, -0.0002996300000000 ] - [ 0.0002111400000000, -0.0014086300000000, -0.0003097700000000 ] - [ -0.0963451400000000, 0.1263683200000000, 0.1153686600000000 ] - [ 0.0022564000000000, -0.0042493700000000, 0.0031182600000000 ] - [ -0.0007971700000000, 0.0023149600000000, 0.0002856500000000 ] - [ -0.0007396200000000, -0.0034334600000000, 0.0007196000000000 ] - [ -0.0008761300000000, 0.0021790500000000, 0.0004998700000000 ] - [ -0.0014965500000000, -0.0038114900000000, -0.0007071300000000 ] - [ 0.0006243800000000, 0.0110337700000000, 0.0045069400000000 ] - [ -0.0029121700000000, -0.0060655800000000, 0.0032774900000000 ] - [ -0.0230796100000000, -0.0100612800000000, 0.0015488200000000 ] - [ 0.0005736000000000, -0.0048968900000000, -0.0004905700000000 ] - [ 0.0008792600000000, 0.0043377700000000, 0.0000065500000000 ] - [ 0.0001656300000000, -0.0030859300000000, -0.0029176500000000 ] - [ -0.0010216600000000, 0.0053646300000000, -0.0030800000000000 ] - [ -0.0006893700000000, -0.0023647300000000, -0.0008141600000000 ] - [ 0.0097053100000000, -0.0106101200000000, 0.0008767900000000 ] - [ 0.0010819700000000, -0.0058860100000000, 0.0010659400000000 ] - [ 0.0001369400000000, 0.0032626200000000, 0.0056547500000000 ] - [ -0.0083451400000000, 0.0026748000000000, -0.0004813500000000 ] - [ 0.0004244400000000, -0.0043416100000000, 0.0009531700000000 ] - [ -0.0001873300000000, -0.0065102800000000, -0.0021865700000000 ] - [ -0.0006727800000000, 0.0035405200000000, 0.0005802300000000 ] - [ -0.0126966200000000, 0.0240577800000000, 0.0109007500000000 ] - [ 0.0003351300000000, -0.0040210200000000, 0.0016849300000000 ] - [ 0.0017234900000000, -0.0033907100000000, -0.0013344100000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0029565600000000, 0.0106098000000000, 0.0049596000000000 ] - [ 0.0035711200000000, -0.0035244500000000, 0.0023906500000000 ] - [ 0.0001636900000000, 0.0001818000000000, 0.0014257600000000 ] - [ 0.0006947900000000, -0.0016177700000000, -0.0006538200000000 ] - [ 0.0002774500000000, 0.0006966000000000, -0.0008325300000000 ] - [ 0.0006382500000000, -0.0018129800000000, 0.0005888500000000 ] - [ 0.0038592100000000, 0.0054321400000000, 0.0023973200000000 ] - [ -0.0011813400000000, -0.0001443900000000, 0.0013149000000000 ] - [ -0.1493752200000000, 0.1832242000000000, 0.1652764300000000 ] - [ 0.0004641000000000, -0.0009752000000000, 0.0004618500000000 ] - [ 0.0004745900000000, -0.0003240300000000, -0.0000010400000000 ] - [ -0.0003058900000000, -0.0010763500000000, 0.0001700400000000 ] - [ -0.0000857300000000, -0.0000455400000000, -0.0000205200000000 ] - [ -0.0003548000000000, -0.0011216400000000, -0.0003522000000000 ] - [ -0.0005619000000000, 0.0037232600000000, -0.0008382500000000 ] - [ -0.0026862200000000, -0.0066850100000000, 0.0029888200000000 ] - [ 0.0289082600000000, -0.0162177500000000, -0.0053722700000000 ] - [ -0.0008162100000000, -0.0023742500000000, 0.0002544300000000 ] - [ -0.0018069100000000, 0.0024495000000000, -0.0003712100000000 ] - [ -0.0037304100000000, -0.0267481000000000, -0.0261870900000000 ] - [ -0.0009593400000000, -0.0013999300000000, -0.0006988300000000 ] - [ -0.0014939300000000, -0.0021629700000000, 0.0001917400000000 ] - [ -0.0064833600000000, 0.0038430800000000, 0.0005295300000000 ] - [ -0.0016845900000000, -0.0024594400000000, 0.0003442700000000 ] - [ -0.0003508600000000, -0.0010822900000000, -0.0012028200000000 ] - [ -0.0001249100000000, -0.0008636800000000, 0.0007967400000000 ] - [ -0.0033736500000000, 0.0000320200000000, 0.0000939600000000 ] - [ 0.0057410400000000, -0.0021888800000000, 0.0075028300000000 ] - [ 0.0002122700000000, -0.0021140000000000, -0.0013786900000000 ] - [ 0.0000848400000000, -0.0010961700000000, 0.0008330600000000 ] - [ -0.0079031900000000, -0.0038140500000000, -0.0074835600000000 ] - [ 0.0012528500000000, 0.0008542800000000, 0.0018300200000000 ] - [ -0.0004798200000000, -0.0027965800000000, 0.0010538600000000 ] - [ 0.0017290900000000, -0.0038412200000000, 0.0028736800000000 ] - [ -0.0014776400000000, -0.0017005100000000, -0.0013795100000000 ] - [ -0.0008765100000000, 0.0029751700000000, 0.0014892100000000 ] - [ -0.0001304100000000, -0.0007212900000000, 0.0008561200000000 ] - [ -0.0014478200000000, 0.0035348100000000, -0.0019138400000000 ] - [ -0.0003232100000000, -0.0021791200000000, -0.0007359200000000 ] - [ -0.0018751500000000, -0.0051332800000000, -0.0034517600000000 ] - [ 0.0004510200000000, -0.0020764900000000, -0.0010130800000000 ] - [ 0.0019726400000000, -0.0031216600000000, -0.0015182400000000 ] - [ -0.0004613200000000, -0.0001896200000000, -0.0007127500000000 ] - [ 0.0000717800000000, 0.0032964800000000, -0.0028019400000000 ] - [ -0.0001279000000000, -0.0030904400000000, -0.0038511800000000 ] - [ -0.0001575900000000, 0.0012213700000000, -0.0001268300000000 ] - [ 0.0004566000000000, -0.0018332400000000, 0.0012432800000000 ] - [ -0.0026788400000000, -0.0035840600000000, 0.0017334300000000 ] - [ 0.0007667900000000, -0.0019681500000000, 0.0010842300000000 ] - [ 0.0045186600000000, 0.0013119700000000, 0.0005767200000000 ] - [ 0.0008795500000000, -0.0024993200000000, -0.0002608300000000 ] - [ 0.0014019200000000, 0.0028064900000000, -0.0006141200000000 ] - [ 0.0016530600000000, -0.0028411300000000, -0.0003931100000000 ] - [ 0.0017985100000000, 0.0028604300000000, 0.0006384700000000 ] - [ 0.0009478100000000, -0.0013905900000000, -0.0000079300000000 ] - [ -0.0007027600000000, 0.0013873800000000, -0.0003849900000000 ] - [ 0.1008293500000000, -0.1263263600000000, -0.1198856000000000 ] - [ -0.0004772900000000, 0.0042178700000000, -0.0016464900000000 ] - [ -0.0009680200000000, -0.0023440700000000, -0.0017102500000000 ] - [ -0.0009998600000000, 0.0034351000000000, 0.0007137900000000 ] - [ -0.0008575100000000, -0.0021957200000000, 0.0009363500000000 ] - [ -0.0002640600000000, 0.0038124300000000, -0.0007263400000000 ] - [ 0.0011460300000000, -0.0110008700000000, -0.0030259300000000 ] - [ 0.0045975500000000, 0.0060296500000000, -0.0046440600000000 ] - [ 0.0237718400000000, 0.0107790200000000, -0.0005067200000000 ] - [ 0.0001011500000000, 0.0041344400000000, -0.0005669100000000 ] - [ -0.0015414200000000, -0.0050899900000000, 0.0010201200000000 ] - [ -0.0008362100000000, 0.0038154700000000, 0.0018229300000000 ] - [ 0.0003402400000000, -0.0060895900000000, 0.0019781200000000 ] - [ 0.0000127200000000, 0.0031147100000000, 0.0018585800000000 ] - [ -0.0089562700000000, 0.0113093300000000, -0.0019257000000000 ] - [ -0.0004051900000000, 0.0051189900000000, -0.0000028700000000 ] - [ 0.0003133400000000, -0.0032302500000000, -0.0062610900000000 ] - [ 0.0087679100000000, -0.0026255000000000, 0.0011683500000000 ] - [ -0.0008776700000000, 0.0043187800000000, -0.0015675800000000 ] - [ -0.0002750700000000, 0.0064993100000000, 0.0028053500000000 ] - [ -0.0009339000000000, -0.0034278100000000, -0.0010323500000000 ] - [ 0.0101468100000000, -0.0232596200000000, -0.0097849300000000 ] - [ 0.0013691300000000, 0.0040053200000000, -0.0021251700000000 ] - [ -0.0000195000000000, 0.0033741800000000, 0.0017674900000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0244904400000000, 0.0016245500000000, 0.0147750100000000 ] - [ -0.0036578700000000, 0.0036180700000000, -0.0032219600000000 ] - [ 0.0001705100000000, -0.0006558800000000, 0.0008533700000000 ] - [ -0.0000816700000000, 0.0002797000000000, 0.0000416900000000 ] - [ -0.0000778000000000, 0.0000144000000000, 0.0003394200000000 ] - [ -0.0000384400000000, 0.0002671700000000, 0.0002063000000000 ] - [ -0.0059445200000000, -0.0032134900000000, -0.0039354100000000 ] - [ 0.0008078600000000, -0.0012771200000000, -0.0011646300000000 ] - [ 0.1978421700000000, -0.1598643300000000, -0.2817952000000000 ] - [ -0.0013146800000000, -0.0013834600000000, -0.0021191900000000 ] - [ 0.0005006300000000, -0.0009221600000000, 0.0018213000000000 ] - [ 0.0003299600000000, 0.0010835600000000, -0.0004682600000000 ] - [ 0.0000423300000000, -0.0008954000000000, -0.0002107600000000 ] - [ 0.0004214800000000, 0.0012662700000000, 0.0009160000000000 ] - [ -0.0021742600000000, 0.0000837500000000, -0.0025748800000000 ] - [ 0.0017753000000000, 0.0020861300000000, -0.0024245300000000 ] - [ -0.0007988300000000, 0.0011280800000000, -0.0054922200000000 ] - [ 0.0007435200000000, 0.0009543100000000, -0.0009967400000000 ] - [ 0.0003998700000000, -0.0010678900000000, 0.0021332100000000 ] - [ 0.0039025500000000, 0.0242256600000000, 0.0076071100000000 ] - [ 0.0001163200000000, 0.0006420300000000, 0.0000713800000000 ] - [ 0.0002421300000000, 0.0009140400000000, 0.0008216800000000 ] - [ 0.0046542300000000, -0.0019745600000000, -0.0023465300000000 ] - [ 0.0007124700000000, 0.0005334200000000, -0.0001343900000000 ] - [ -0.0001096100000000, 0.0004362600000000, 0.0008240600000000 ] - [ -0.0001923400000000, 0.0002494300000000, 0.0000333700000000 ] - [ 0.0018563900000000, -0.0003523800000000, -0.0040945500000000 ] - [ 0.0030722100000000, -0.0031565000000000, 0.0005602400000000 ] - [ -0.0003042500000000, 0.0013354900000000, 0.0003093600000000 ] - [ -0.0001179200000000, 0.0003294200000000, 0.0002674400000000 ] - [ 0.0100522600000000, 0.0085983000000000, 0.0062335800000000 ] - [ -0.0005338800000000, -0.0002267200000000, 0.0010875900000000 ] - [ 0.0003797400000000, 0.0017367800000000, -0.0010493500000000 ] - [ -0.0004747900000000, 0.0009910400000000, -0.0006462000000000 ] - [ 0.0020866800000000, 0.0013006700000000, 0.0001951500000000 ] - [ 0.0007598900000000, 0.0001613700000000, 0.0028452300000000 ] - [ -0.0003674400000000, -0.0011326100000000, 0.0017691200000000 ] - [ 0.0015152400000000, -0.0013633300000000, 0.0012584400000000 ] - [ 0.0001281600000000, 0.0010070700000000, 0.0006775700000000 ] - [ 0.0018262600000000, 0.0030265900000000, 0.0012676100000000 ] - [ 0.0003560400000000, 0.0005432000000000, -0.0004865800000000 ] - [ -0.0002827400000000, 0.0004460100000000, -0.0000377400000000 ] - [ -0.0001334400000000, -0.0003977000000000, 0.0009354900000000 ] - [ -0.0022554200000000, -0.0019257100000000, 0.0070469600000000 ] - [ -0.0005487200000000, 0.0022889100000000, 0.0038332900000000 ] - [ -0.0008959500000000, 0.0004638900000000, 0.0032994000000000 ] - [ 0.0001851500000000, 0.0005408900000000, 0.0000042300000000 ] - [ 0.0022038100000000, 0.0013673500000000, -0.0038642700000000 ] - [ -0.0005409400000000, 0.0017712900000000, -0.0004798100000000 ] - [ -0.0016028000000000, -0.0018299900000000, -0.0009873700000000 ] - [ 0.0002963300000000, 0.0000431500000000, 0.0006520100000000 ] - [ -0.0002728400000000, -0.0001937000000000, 0.0009519600000000 ] - [ -0.0000777100000000, -0.0001783800000000, 0.0003386300000000 ] - [ 0.0014363600000000, 0.0000013200000000, 0.0021064400000000 ] - [ -0.0012944300000000, 0.0019177400000000, -0.0005872100000000 ] - [ 0.0002374300000000, -0.0003457400000000, 0.0003312200000000 ] - [ -0.1667877800000000, 0.1164354400000000, 0.2424343100000000 ] - [ 0.0020763800000000, -0.0017362000000000, 0.0041230500000000 ] - [ -0.0011926400000000, 0.0022723500000000, -0.0042919300000000 ] - [ -0.0008176000000000, -0.0013268000000000, 0.0004268300000000 ] - [ -0.0003269900000000, 0.0010864500000000, -0.0001776700000000 ] - [ -0.0010484500000000, -0.0017455400000000, -0.0011296700000000 ] - [ 0.0023735000000000, 0.0049091900000000, 0.0083262700000000 ] - [ -0.0013303400000000, -0.0008309400000000, 0.0029852800000000 ] - [ -0.0176119400000000, -0.0058424100000000, 0.0080439500000000 ] - [ 0.0007807700000000, -0.0017081100000000, -0.0001740900000000 ] - [ -0.0024158600000000, -0.0001558400000000, -0.0047780900000000 ] - [ -0.0002011700000000, -0.0007483800000000, -0.0038764200000000 ] - [ -0.0010716800000000, 0.0025479700000000, -0.0086260600000000 ] - [ -0.0008493000000000, -0.0013889300000000, -0.0020284800000000 ] - [ 0.0040694000000000, -0.0029094300000000, 0.0003916100000000 ] - [ 0.0003338300000000, -0.0025041000000000, 0.0012094500000000 ] - [ 0.0000093900000000, 0.0016075700000000, -0.0022021000000000 ] - [ -0.0111849600000000, -0.0007906800000000, 0.0048363100000000 ] - [ -0.0000630400000000, -0.0012285200000000, 0.0001695400000000 ] - [ -0.0001834500000000, -0.0037703000000000, -0.0018329100000000 ] - [ 0.0067497200000000, 0.0088432500000000, -0.0007715600000000 ] - [ -0.0043566900000000, 0.0061073200000000, 0.0097339200000000 ] - [ 0.0010896700000000, -0.0006974900000000, 0.0006200600000000 ] - [ 0.0014896600000000, -0.0013461400000000, -0.0007087000000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0247339000000000, -0.0021719300000000, -0.0146432600000000 ] - [ 0.0033436800000000, -0.0030576800000000, 0.0027260300000000 ] - [ 0.0001207200000000, 0.0011896900000000, -0.0003766200000000 ] - [ 0.0003726300000000, -0.0008174100000000, -0.0005225000000000 ] - [ 0.0003653500000000, 0.0005203100000000, -0.0008138900000000 ] - [ 0.0003311100000000, -0.0008087700000000, 0.0002740200000000 ] - [ 0.0056323500000000, 0.0026576000000000, 0.0034381900000000 ] - [ -0.0011049200000000, 0.0018212500000000, 0.0016517300000000 ] - [ -0.2073217800000000, 0.1672165900000000, 0.2895745000000000 ] - [ 0.0009370600000000, 0.0003468200000000, 0.0013429700000000 ] - [ -0.0001138800000000, -0.0001278400000000, -0.0010353500000000 ] - [ 0.0000498000000000, -0.0000436500000000, -0.0003103600000000 ] - [ 0.0003385000000000, -0.0001492200000000, -0.0005708800000000 ] - [ -0.0000411400000000, -0.0002253600000000, -0.0001389200000000 ] - [ 0.0018006200000000, 0.0009495500000000, 0.0018020400000000 ] - [ -0.0021495000000000, -0.0031353300000000, 0.0031957900000000 ] - [ 0.0010347000000000, -0.0008886500000000, 0.0062653800000000 ] - [ -0.0002609200000000, -0.0009876900000000, 0.0002970000000000 ] - [ -0.0008769900000000, 0.0010262700000000, -0.0014344300000000 ] - [ -0.0047523100000000, -0.0264445400000000, -0.0074005200000000 ] - [ -0.0005926400000000, -0.0006024500000000, -0.0007690400000000 ] - [ -0.0007162600000000, -0.0008724300000000, -0.0001234000000000 ] - [ -0.0041783900000000, 0.0020189100000000, 0.0016553000000000 ] - [ -0.0002331800000000, -0.0005677100000000, 0.0008307200000000 ] - [ -0.0002625500000000, -0.0004381100000000, -0.0012144700000000 ] - [ -0.0001803100000000, -0.0002486700000000, 0.0003527500000000 ] - [ -0.0015076300000000, 0.0003318900000000, 0.0036844700000000 ] - [ -0.0026911700000000, 0.0031559100000000, -0.0001375500000000 ] - [ 0.0001764900000000, -0.0013394300000000, -0.0012279100000000 ] - [ -0.0000180400000000, -0.0003266800000000, 0.0006496900000000 ] - [ -0.0098252600000000, -0.0084728600000000, -0.0070614200000000 ] - [ 0.0006755300000000, 0.0002305700000000, -0.0001553000000000 ] - [ -0.0002553100000000, -0.0011951800000000, 0.0002433000000000 ] - [ 0.0005863200000000, -0.0015074500000000, 0.0014333600000000 ] - [ -0.0021942500000000, -0.0018394800000000, -0.0010110500000000 ] - [ -0.0008856600000000, 0.0003913600000000, -0.0020218200000000 ] - [ 0.0002421700000000, 0.0005828500000000, -0.0009448400000000 ] - [ -0.0016334600000000, 0.0019082000000000, -0.0020770700000000 ] - [ -0.0000064300000000, -0.0004575900000000, 0.0001351500000000 ] - [ -0.0017136700000000, -0.0035774100000000, -0.0020819300000000 ] - [ 0.0003061000000000, -0.0006889700000000, -0.0003425800000000 ] - [ 0.0009328600000000, -0.0002746500000000, 0.0008890900000000 ] - [ -0.0005266200000000, 0.0005465100000000, -0.0017679400000000 ] - [ 0.0015712500000000, 0.0017820500000000, -0.0061732500000000 ] - [ -0.0001119900000000, -0.0021356600000000, -0.0029881900000000 ] - [ 0.0002370900000000, -0.0006078800000000, -0.0041340700000000 ] - [ 0.0004760600000000, -0.0006825800000000, 0.0008233200000000 ] - [ -0.0015504800000000, -0.0012245900000000, 0.0030478500000000 ] - [ -0.0003140900000000, 0.0000063000000000, 0.0007826300000000 ] - [ 0.0007073000000000, 0.0000390300000000, 0.0006843200000000 ] - [ 0.0005561800000000, -0.0018170300000000, -0.0003504000000000 ] - [ 0.0011237300000000, 0.0019671400000000, -0.0012508000000000 ] - [ 0.0009322900000000, -0.0015966200000000, -0.0006380500000000 ] - [ -0.0005668300000000, 0.0017728500000000, -0.0017953100000000 ] - [ 0.0004328600000000, -0.0001321400000000, 0.0002839300000000 ] - [ -0.0007140400000000, 0.0003065800000000, -0.0010319800000000 ] - [ 0.1775195700000000, -0.1228497800000000, -0.2506855400000000 ] - [ -0.0003235500000000, 0.0017163600000000, -0.0026763900000000 ] - [ -0.0005595400000000, -0.0022730000000000, 0.0028642300000000 ] - [ -0.0009299400000000, 0.0013340600000000, 0.0010061200000000 ] - [ -0.0014172500000000, -0.0010911900000000, 0.0016129300000000 ] - [ -0.0007030200000000, 0.0017518000000000, -0.0003057600000000 ] - [ -0.0006198000000000, -0.0048602300000000, -0.0068896400000000 ] - [ 0.0030832400000000, 0.0008267200000000, -0.0044271800000000 ] - [ 0.0183484000000000, 0.0065603000000000, -0.0070316700000000 ] - [ -0.0001033300000000, 0.0009532800000000, -0.0008844200000000 ] - [ 0.0017350900000000, -0.0005875600000000, 0.0058495500000000 ] - [ -0.0004711900000000, 0.0014905200000000, 0.0028029200000000 ] - [ 0.0004007700000000, -0.0032822300000000, 0.0075544100000000 ] - [ 0.0001746600000000, 0.0021281200000000, 0.0030855200000000 ] - [ -0.0033248400000000, 0.0035746900000000, -0.0014423500000000 ] - [ 0.0003354800000000, 0.0017561000000000, -0.0001526800000000 ] - [ 0.0004540300000000, -0.0016154100000000, 0.0015374300000000 ] - [ 0.0116272600000000, 0.0008116500000000, -0.0041459400000000 ] - [ -0.0003841100000000, 0.0012076000000000, -0.0007737800000000 ] - [ -0.0002759800000000, 0.0037753000000000, 0.0024490400000000 ] - [ -0.0084846300000000, -0.0088782800000000, 0.0003234400000000 ] - [ 0.0023751500000000, -0.0057966700000000, -0.0092688300000000 ] - [ 0.0006169400000000, 0.0006971100000000, -0.0010549900000000 ] - [ 0.0002096000000000, 0.0013461200000000, 0.0011350700000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0050172500000000, -0.0099261400000000, 0.0107347700000000 ] - [ 0.0010784200000000, -0.0009390200000000, 0.0002617200000000 ] - [ -0.0002717700000000, 0.0014611800000000, -0.0001215300000000 ] - [ 0.0010220200000000, -0.0014674300000000, -0.0005029900000000 ] - [ 0.0014164800000000, 0.0012135000000000, -0.0012211700000000 ] - [ -0.0000753200000000, -0.0007267700000000, 0.0004565300000000 ] - [ 0.0065117200000000, 0.0052587900000000, 0.0009511800000000 ] - [ -0.0003228200000000, -0.0013766100000000, -0.0001957300000000 ] - [ 0.0298114800000000, -0.0277290100000000, -0.0005067800000000 ] - [ -0.0004395800000000, -0.0015752200000000, -0.0008919800000000 ] - [ -0.0015811200000000, 0.0010501100000000, -0.0002468100000000 ] - [ 0.0006666600000000, -0.0001994500000000, -0.0000348800000000 ] - [ 0.0013201000000000, -0.0000654400000000, 0.0000892000000000 ] - [ -0.0009992200000000, -0.0007382300000000, -0.0000906100000000 ] - [ 0.0017876800000000, 0.0072717700000000, -0.0048286300000000 ] - [ -0.0009494200000000, -0.0024468200000000, 0.0008595700000000 ] - [ -0.3147829100000000, 0.2222641900000000, -0.0676346100000000 ] - [ 0.0003942900000000, -0.0005841600000000, -0.0004407500000000 ] - [ -0.0006739900000000, 0.0009584100000000, 0.0013228900000000 ] - [ 0.0405931300000000, 0.0119291800000000, 0.0187094400000000 ] - [ -0.0007521500000000, -0.0011996800000000, -0.0003657600000000 ] - [ -0.0009861200000000, -0.0010908400000000, 0.0004905900000000 ] - [ 0.0131459300000000, -0.0028178500000000, -0.0050170600000000 ] - [ -0.0018469300000000, -0.0026719000000000, -0.0002078900000000 ] - [ -0.0003303500000000, 0.0004445100000000, 0.0004848700000000 ] - [ 0.0003048900000000, -0.0016344300000000, 0.0033640800000000 ] - [ -0.0017628400000000, -0.0004428500000000, -0.0011620100000000 ] - [ 0.0022922700000000, -0.0009548100000000, 0.0015984800000000 ] - [ -0.0020665400000000, 0.0007876400000000, -0.0002147000000000 ] - [ 0.0034838900000000, -0.0021656100000000, 0.0015441600000000 ] - [ -0.0020352400000000, -0.0010033100000000, -0.0016308800000000 ] - [ 0.0009047400000000, 0.0002798400000000, 0.0006773400000000 ] - [ 0.0000016800000000, 0.0008262600000000, -0.0005575200000000 ] - [ 0.0082055000000000, -0.0259781800000000, 0.0131806100000000 ] - [ -0.0007977400000000, -0.0011717100000000, -0.0011826300000000 ] - [ 0.0009394800000000, 0.0004616900000000, 0.0012332300000000 ] - [ 0.0000108500000000, -0.0012827200000000, 0.0011147300000000 ] - [ -0.0013242900000000, 0.0026066900000000, 0.0002651400000000 ] - [ -0.0002530300000000, -0.0049761400000000, -0.0014604900000000 ] - [ 0.0024189400000000, 0.0049665900000000, 0.0018825400000000 ] - [ 0.0006040700000000, -0.0003680300000000, -0.0009367900000000 ] - [ 0.0004528300000000, -0.0148635200000000, -0.0089826400000000 ] - [ -0.0004335400000000, -0.0006395100000000, 0.0000260000000000 ] - [ 0.0005992100000000, 0.0005872300000000, -0.0003314000000000 ] - [ -0.0001314800000000, -0.0010865200000000, -0.0006193900000000 ] - [ -0.0014600200000000, 0.0009434100000000, 0.0012760800000000 ] - [ 0.0001771300000000, -0.0025632800000000, 0.0007046900000000 ] - [ 0.0045422100000000, 0.0027584600000000, -0.0034694900000000 ] - [ -0.0002198600000000, -0.0000408400000000, 0.0001717600000000 ] - [ 0.0501633700000000, -0.0013698400000000, -0.0034251700000000 ] - [ 0.0006273300000000, -0.0018372100000000, 0.0000878300000000 ] - [ 0.0025814800000000, 0.0030280200000000, 0.0000732900000000 ] - [ 0.0013652000000000, -0.0022382500000000, -0.0000757600000000 ] - [ -0.0009130600000000, 0.0015274800000000, -0.0003272900000000 ] - [ 0.0011193900000000, -0.0013650300000000, -0.0004343700000000 ] - [ -0.0011838400000000, 0.0018656800000000, 0.0007248300000000 ] - [ 0.0858020500000000, -0.0457915900000000, 0.0425241900000000 ] - [ -0.0003232900000000, 0.0026812900000000, 0.0011050000000000 ] - [ 0.0018732100000000, -0.0027476100000000, -0.0010150800000000 ] - [ -0.0017348300000000, 0.0026222600000000, 0.0006956800000000 ] - [ -0.0032853400000000, -0.0029682500000000, -0.0002461600000000 ] - [ 0.0002852900000000, 0.0018584300000000, -0.0007486400000000 ] - [ -0.0212123400000000, -0.0239130400000000, 0.0130739500000000 ] - [ 0.0026364800000000, 0.0037614300000000, -0.0000889000000000 ] - [ -0.0268968000000000, -0.0097564100000000, 0.0083351400000000 ] - [ 0.0001130000000000, 0.0053600400000000, 0.0004593500000000 ] - [ 0.0029901200000000, -0.0035243300000000, -0.0022771400000000 ] - [ -0.0009962500000000, 0.0025967600000000, -0.0004860700000000 ] - [ -0.0031723600000000, -0.0026068800000000, -0.0012079700000000 ] - [ 0.0000598900000000, 0.0026422600000000, 0.0003660300000000 ] - [ 0.1293146600000000, -0.1035161500000000, -0.0199336100000000 ] - [ -0.0000959300000000, 0.0004973100000000, 0.0011840500000000 ] - [ -0.0018061100000000, 0.0010195400000000, -0.0019365400000000 ] - [ 0.0050400200000000, -0.0001040400000000, 0.0028846600000000 ] - [ -0.0068479700000000, 0.0116178600000000, -0.0067941300000000 ] - [ 0.0019780200000000, -0.0037561200000000, -0.0016035100000000 ] - [ 0.0065145200000000, 0.0019887300000000, -0.0003145500000000 ] - [ -0.0087965600000000, 0.0079246200000000, 0.0054309900000000 ] - [ -0.0021185700000000, -0.0006306900000000, 0.0001024200000000 ] - [ 0.0037471700000000, 0.0037902800000000, 0.0053230300000000 ]- atom: 17 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0048902300000000, 0.0092612800000000, -0.0101928300000000 ] - [ -0.0013778900000000, 0.0014851400000000, -0.0007330200000000 ] - [ 0.0005725800000000, -0.0009217000000000, 0.0005902100000000 ] - [ -0.0007298400000000, 0.0009301400000000, 0.0000365700000000 ] - [ -0.0011325700000000, -0.0006811700000000, 0.0007656700000000 ] - [ 0.0003734800000000, 0.0001828500000000, 0.0000121200000000 ] - [ -0.0067851700000000, -0.0057553400000000, -0.0014037900000000 ] - [ 0.0000312200000000, 0.0019043800000000, 0.0006579500000000 ] - [ -0.0308117200000000, 0.0293613900000000, 0.0013283400000000 ] - [ 0.0000575300000000, 0.0005395300000000, 0.0001096700000000 ] - [ 0.0019681300000000, -0.0020851100000000, 0.0010322000000000 ] - [ -0.0002912200000000, 0.0012288000000000, -0.0007444000000000 ] - [ -0.0009442600000000, -0.0009716900000000, -0.0008640000000000 ] - [ 0.0013803800000000, 0.0017718600000000, 0.0008709500000000 ] - [ -0.0021631100000000, -0.0061751600000000, 0.0040022300000000 ] - [ 0.0005777300000000, 0.0014184500000000, -0.0000843700000000 ] - [ 0.3148476400000000, -0.2190650700000000, 0.0734701000000000 ] - [ 0.0000847700000000, 0.0005562200000000, -0.0002525200000000 ] - [ 0.0001998000000000, -0.0009830900000000, -0.0006321700000000 ] - [ -0.0420225300000000, -0.0138786400000000, -0.0189575700000000 ] - [ 0.0002696300000000, 0.0012225900000000, -0.0003277200000000 ] - [ 0.0005081900000000, 0.0011163700000000, 0.0002021000000000 ] - [ -0.0126438400000000, 0.0028543500000000, 0.0043026600000000 ] - [ 0.0023284600000000, 0.0026460900000000, 0.0008964100000000 ] - [ -0.0000410200000000, -0.0004489800000000, -0.0008767600000000 ] - [ -0.0006777700000000, 0.0016344600000000, -0.0029700900000000 ] - [ 0.0021348400000000, 0.0004237500000000, 0.0007636000000000 ] - [ -0.0019095300000000, 0.0009565100000000, -0.0012150300000000 ] - [ 0.0019493200000000, -0.0007943500000000, -0.0006837400000000 ] - [ -0.0036257600000000, 0.0021664400000000, -0.0006483500000000 ] - [ 0.0021741000000000, 0.0010036500000000, 0.0007357600000000 ] - [ -0.0007759200000000, -0.0002760700000000, 0.0002180300000000 ] - [ 0.0001202000000000, -0.0002918000000000, -0.0002327800000000 ] - [ -0.0082031400000000, 0.0253221500000000, -0.0123762900000000 ] - [ 0.0006793900000000, 0.0006237500000000, 0.0003813800000000 ] - [ -0.0010517300000000, 0.0000895800000000, -0.0004292900000000 ] - [ -0.0001278000000000, 0.0007367000000000, -0.0003150500000000 ] - [ 0.0012004900000000, -0.0020623100000000, -0.0010658300000000 ] - [ 0.0003703000000000, 0.0055028300000000, 0.0022518300000000 ] - [ -0.0023097800000000, -0.0055659300000000, -0.0027067700000000 ] - [ 0.0000622200000000, 0.0002203400000000, 0.0000919100000000 ] - [ 0.0000671300000000, 0.0149255600000000, 0.0097800400000000 ] - [ -0.0002313200000000, 0.0007790600000000, -0.0008677600000000 ] - [ -0.0012630800000000, -0.0007283600000000, 0.0011850800000000 ] - [ -0.0005333900000000, 0.0012325400000000, 0.0014679500000000 ] - [ 0.0007866900000000, -0.0010815400000000, -0.0021142500000000 ] - [ 0.0004898900000000, 0.0024272100000000, 0.0001337900000000 ] - [ -0.0038798000000000, -0.0026399000000000, 0.0026440200000000 ] - [ -0.0006351200000000, 0.0018215100000000, 0.0001351800000000 ] - [ -0.0498373200000000, -0.0006518700000000, 0.0032214800000000 ] - [ 0.0002347300000000, 0.0000490500000000, 0.0002200000000000 ] - [ -0.0017190600000000, -0.0012393800000000, -0.0003825100000000 ] - [ -0.0005038600000000, 0.0004531300000000, -0.0002314800000000 ] - [ 0.0017844800000000, 0.0002642500000000, 0.0006153800000000 ] - [ -0.0019820700000000, 0.0031512500000000, 0.0001238200000000 ] - [ 0.0006911500000000, -0.0018809800000000, -0.0014137600000000 ] - [ -0.0883652500000000, 0.0496284000000000, -0.0477412900000000 ] - [ 0.0020813900000000, -0.0026941200000000, 0.0003340700000000 ] - [ -0.0036426100000000, 0.0027199000000000, -0.0004048100000000 ] - [ -0.0000075900000000, -0.0026102300000000, 0.0007357400000000 ] - [ 0.0015515400000000, 0.0029594300000000, 0.0016709400000000 ] - [ -0.0020394400000000, -0.0018448500000000, -0.0006876900000000 ] - [ 0.0229173300000000, 0.0237408600000000, -0.0115638000000000 ] - [ -0.0009017600000000, -0.0037631000000000, -0.0013330600000000 ] - [ 0.0276432600000000, 0.0105752300000000, -0.0073161900000000 ] - [ 0.0005616300000000, -0.0061035600000000, -0.0015036800000000 ] - [ -0.0036367700000000, 0.0027676000000000, 0.0033336000000000 ] - [ 0.0003247000000000, -0.0018544700000000, -0.0005763900000000 ] - [ 0.0024929000000000, 0.0018581000000000, 0.0001435200000000 ] - [ -0.0007316300000000, -0.0018934300000000, 0.0006879700000000 ] - [ -0.1239257800000000, 0.0975005400000000, 0.0179246900000000 ] - [ 0.0007644900000000, -0.0012306100000000, -0.0001279200000000 ] - [ 0.0022615500000000, -0.0010226000000000, 0.0013191400000000 ] - [ -0.0045886700000000, 0.0001183500000000, -0.0022442400000000 ] - [ 0.0063730300000000, -0.0116409300000000, 0.0061726700000000 ] - [ -0.0024561000000000, 0.0037857000000000, 0.0022387600000000 ] - [ -0.0081550800000000, -0.0019667400000000, -0.0001272000000000 ] - [ 0.0070863700000000, -0.0079549800000000, -0.0049978800000000 ] - [ 0.0038232400000000, 0.0006444100000000, -0.0005565200000000 ] - [ -0.0020558200000000, -0.0038036100000000, -0.0049047100000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0088397700000000, 0.0150130800000000, -0.0233331000000000 ] - [ -0.0011946100000000, 0.0020889600000000, -0.0007867500000000 ] - [ 0.0005912500000000, -0.0013816500000000, -0.0007246200000000 ] - [ -0.0010146500000000, 0.0016635000000000, 0.0002491700000000 ] - [ -0.0016197300000000, -0.0018350600000000, 0.0018640100000000 ] - [ 0.0001504800000000, 0.0008846700000000, -0.0001669300000000 ] - [ -0.0037760300000000, -0.0040791700000000, -0.0007710500000000 ] - [ -0.0006917200000000, 0.0032132500000000, 0.0010871100000000 ] - [ -0.0294390500000000, 0.0168210300000000, 0.0014138400000000 ] - [ 0.0008419200000000, 0.0018358300000000, 0.0005824000000000 ] - [ 0.0018063400000000, -0.0029839900000000, 0.0014368600000000 ] - [ -0.0000397200000000, 0.0019326000000000, -0.0010100000000000 ] - [ -0.0005098100000000, -0.0019144100000000, -0.0007148800000000 ] - [ 0.0016657000000000, 0.0027000100000000, 0.0012814100000000 ] - [ 0.0033908500000000, -0.0033023900000000, 0.0016026500000000 ] - [ 0.0003578000000000, 0.0019223700000000, -0.0001636700000000 ] - [ 0.2182081400000000, -0.2711007100000000, 0.0358716400000000 ] - [ 0.0008090500000000, 0.0016405900000000, -0.0003994600000000 ] - [ 0.0007355400000000, -0.0023456800000000, -0.0003793900000000 ] - [ -0.0007568200000000, -0.0123196300000000, 0.0023432300000000 ] - [ 0.0009770700000000, 0.0024341600000000, -0.0001555100000000 ] - [ 0.0008680800000000, 0.0018949500000000, 0.0001153100000000 ] - [ -0.0025624400000000, -0.0019372600000000, 0.0007960100000000 ] - [ 0.0028882000000000, 0.0039445100000000, 0.0010729000000000 ] - [ 0.0001445200000000, -0.0000691500000000, -0.0002045000000000 ] - [ -0.0009251800000000, 0.0024782700000000, -0.0040881600000000 ] - [ 0.0013958200000000, 0.0048239500000000, 0.0024847900000000 ] - [ -0.0012622600000000, 0.0010856400000000, -0.0011345000000000 ] - [ 0.0019566500000000, 0.0001688200000000, -0.0000302100000000 ] - [ -0.0055236500000000, 0.0027699100000000, -0.0006053800000000 ] - [ 0.0007225600000000, 0.0011169400000000, 0.0011357700000000 ] - [ 0.0002051700000000, 0.0001323500000000, -0.0001460900000000 ] - [ 0.0003855200000000, 0.0011952600000000, -0.0009022800000000 ] - [ -0.0232246100000000, 0.0380169600000000, -0.0210591400000000 ] - [ 0.0009009300000000, 0.0023389400000000, 0.0018327700000000 ] - [ -0.0010004400000000, -0.0007550000000000, -0.0008832000000000 ] - [ 0.0000836300000000, 0.0013382800000000, -0.0007183100000000 ] - [ 0.0012134900000000, -0.0008905300000000, 0.0027040700000000 ] - [ 0.0004716000000000, 0.0068873900000000, 0.0028834400000000 ] - [ -0.0005854700000000, -0.0022604900000000, -0.0014194400000000 ] - [ 0.0000377600000000, 0.0009947900000000, 0.0003393700000000 ] - [ -0.0158164100000000, 0.0160647400000000, 0.0153926600000000 ] - [ -0.0002904300000000, 0.0016625100000000, -0.0012472800000000 ] - [ -0.0009897200000000, -0.0012799100000000, 0.0014888200000000 ] - [ -0.0005749100000000, 0.0015746800000000, 0.0015415300000000 ] - [ 0.0007077200000000, -0.0019903400000000, -0.0024177700000000 ] - [ 0.0004617100000000, 0.0032251700000000, -0.0001716400000000 ] - [ -0.0008580500000000, -0.0019100600000000, 0.0011247100000000 ] - [ -0.0013279800000000, 0.0029938600000000, 0.0000578800000000 ] - [ -0.0175058200000000, -0.0127383500000000, 0.0025206500000000 ] - [ -0.0004975600000000, 0.0012496800000000, 0.0003566800000000 ] - [ -0.0016040600000000, -0.0020029900000000, -0.0003286700000000 ] - [ -0.0007818000000000, 0.0012064700000000, -0.0002923900000000 ] - [ -0.0003043800000000, -0.0021768600000000, 0.0006938600000000 ] - [ -0.0024876200000000, 0.0042575300000000, 0.0002736600000000 ] - [ 0.0016369300000000, -0.0037094800000000, -0.0005973300000000 ] - [ -0.0383414800000000, 0.0671918500000000, -0.0330175400000000 ] - [ 0.0012702000000000, -0.0049572200000000, 0.0000785400000000 ] - [ -0.0024499600000000, 0.0060793300000000, 0.0003093300000000 ] - [ -0.0003115000000000, -0.0044141800000000, 0.0005078200000000 ] - [ 0.0006075100000000, 0.0056598600000000, 0.0002345700000000 ] - [ -0.0019659200000000, -0.0038111000000000, -0.0008549600000000 ] - [ 0.0071312400000000, 0.0169102800000000, -0.0056921900000000 ] - [ -0.0001361300000000, -0.0062633700000000, -0.0017734000000000 ] - [ 0.0070984700000000, 0.0057908400000000, -0.0003842500000000 ] - [ 0.0007570500000000, -0.0088014200000000, -0.0016991000000000 ] - [ -0.0017878900000000, 0.0070330900000000, 0.0009666900000000 ] - [ 0.0003425800000000, -0.0032926200000000, -0.0004388000000000 ] - [ 0.0016368100000000, 0.0041010400000000, -0.0000462700000000 ] - [ -0.0003889600000000, -0.0044621100000000, 0.0003196400000000 ] - [ -0.0941904100000000, 0.1474729300000000, 0.0263766300000000 ] - [ 0.0009220800000000, -0.0035458200000000, 0.0001158400000000 ] - [ 0.0009865000000000, -0.0013002500000000, 0.0017719100000000 ] - [ -0.0021649100000000, -0.0031499300000000, -0.0066123200000000 ] - [ 0.0085863200000000, -0.0175029400000000, 0.0078421700000000 ] - [ -0.0023743100000000, 0.0007445200000000, 0.0005631300000000 ] - [ -0.0093401700000000, -0.0067703200000000, 0.0023931900000000 ] - [ 0.0054143600000000, -0.0075161200000000, -0.0044208800000000 ] - [ 0.0031599900000000, -0.0001702200000000, 0.0003604100000000 ] - [ -0.0020711800000000, -0.0056146400000000, -0.0065956900000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0084400200000000, -0.0154853700000000, 0.0234062700000000 ] - [ 0.0009088900000000, -0.0015582500000000, 0.0003045400000000 ] - [ -0.0003070900000000, 0.0019282500000000, 0.0012078100000000 ] - [ 0.0013121000000000, -0.0022107400000000, -0.0007339100000000 ] - [ 0.0019203300000000, 0.0023817900000000, -0.0023515800000000 ] - [ 0.0001368900000000, -0.0014295400000000, 0.0006525800000000 ] - [ 0.0035004700000000, 0.0035471700000000, 0.0002872700000000 ] - [ 0.0003987000000000, -0.0026875200000000, -0.0006070200000000 ] - [ 0.0286215900000000, -0.0156586500000000, -0.0005953100000000 ] - [ -0.0012208600000000, -0.0028882300000000, -0.0013649300000000 ] - [ -0.0014354400000000, 0.0019492000000000, -0.0006535900000000 ] - [ 0.0004238600000000, -0.0008968800000000, 0.0002344400000000 ] - [ 0.0008981700000000, 0.0008769500000000, -0.0000643000000000 ] - [ -0.0012964000000000, -0.0016681700000000, -0.0005047400000000 ] - [ -0.0037617100000000, 0.0043543000000000, -0.0023985100000000 ] - [ -0.0007439600000000, -0.0029754800000000, 0.0009444800000000 ] - [ -0.2230978800000000, 0.2765612700000000, -0.0323278900000000 ] - [ -0.0003295900000000, -0.0016844500000000, -0.0002997500000000 ] - [ -0.0012190300000000, 0.0023137200000000, 0.0010872100000000 ] - [ 0.0002615300000000, 0.0106603600000000, -0.0019156600000000 ] - [ -0.0014564000000000, -0.0024022900000000, -0.0005421100000000 ] - [ -0.0013501800000000, -0.0018632800000000, 0.0005835200000000 ] - [ 0.0031106000000000, 0.0019537300000000, -0.0015172000000000 ] - [ -0.0024268400000000, -0.0040034500000000, -0.0003829500000000 ] - [ -0.0005179100000000, 0.0000733500000000, -0.0001801300000000 ] - [ 0.0005624500000000, -0.0025106900000000, 0.0045463700000000 ] - [ -0.0010181200000000, -0.0047582100000000, -0.0028760400000000 ] - [ 0.0016424900000000, -0.0010946100000000, 0.0015344100000000 ] - [ -0.0021048200000000, -0.0001618400000000, -0.0008916000000000 ] - [ 0.0054659100000000, -0.0027977300000000, 0.0015285900000000 ] - [ -0.0006021500000000, -0.0011247600000000, -0.0020644300000000 ] - [ -0.0000719900000000, -0.0001340400000000, 0.0010748400000000 ] - [ -0.0002626200000000, -0.0006447400000000, 0.0000899900000000 ] - [ 0.0238249500000000, -0.0393848000000000, 0.0223978700000000 ] - [ -0.0010239600000000, -0.0028878300000000, -0.0026457600000000 ] - [ 0.0008825700000000, 0.0012977600000000, 0.0017031200000000 ] - [ -0.0002076000000000, -0.0018923000000000, 0.0015389100000000 ] - [ -0.0013285000000000, 0.0014339700000000, -0.0035041700000000 ] - [ -0.0003536600000000, -0.0064153300000000, -0.0020946800000000 ] - [ 0.0007237200000000, 0.0017751900000000, 0.0006349000000000 ] - [ 0.0006259100000000, -0.0011470100000000, -0.0011726100000000 ] - [ 0.0168084300000000, -0.0161644200000000, -0.0149582400000000 ] - [ -0.0003719200000000, -0.0015194000000000, 0.0004240000000000 ] - [ 0.0003285700000000, 0.0011331600000000, -0.0006578100000000 ] - [ -0.0000878100000000, -0.0014311600000000, -0.0007160100000000 ] - [ -0.0013747500000000, 0.0018444800000000, 0.0015949200000000 ] - [ 0.0001998400000000, -0.0033837800000000, 0.0009932200000000 ] - [ 0.0015405200000000, 0.0020886000000000, -0.0019838900000000 ] - [ 0.0004717300000000, -0.0012198000000000, 0.0002400700000000 ] - [ 0.0167235500000000, 0.0111304300000000, -0.0028527400000000 ] - [ 0.0013506300000000, -0.0030354500000000, -0.0000572000000000 ] - [ 0.0024717400000000, 0.0037972800000000, 0.0000325900000000 ] - [ 0.0016429900000000, -0.0029960000000000, -0.0000057000000000 ] - [ 0.0011614200000000, 0.0039644200000000, -0.0004065300000000 ] - [ 0.0016467900000000, -0.0024988300000000, -0.0005783800000000 ] - [ -0.0021214600000000, 0.0036863400000000, -0.0000982400000000 ] - [ 0.0375944300000000, -0.0661255400000000, 0.0299224800000000 ] - [ 0.0004691000000000, 0.0049626200000000, 0.0013630000000000 ] - [ 0.0007176300000000, -0.0061249200000000, -0.0017478800000000 ] - [ -0.0014481100000000, 0.0044463400000000, 0.0009236600000000 ] - [ -0.0023750200000000, -0.0057021500000000, 0.0011948800000000 ] - [ 0.0002243200000000, 0.0038366200000000, -0.0005841100000000 ] - [ -0.0054203200000000, -0.0169167500000000, 0.0071575400000000 ] - [ 0.0018993400000000, 0.0062688700000000, 0.0003500200000000 ] - [ -0.0066183300000000, -0.0051561000000000, 0.0015268100000000 ] - [ -0.0000917300000000, 0.0080993300000000, 0.0006666600000000 ] - [ 0.0011338300000000, -0.0077997600000000, 0.0001000500000000 ] - [ -0.0010198000000000, 0.0040548200000000, -0.0006265300000000 ] - [ -0.0023245400000000, -0.0048559500000000, -0.0010247200000000 ] - [ -0.0002817200000000, 0.0052258900000000, 0.0007391100000000 ] - [ 0.1021141200000000, -0.1526177800000000, -0.0285942800000000 ] - [ -0.0002504900000000, 0.0027991900000000, 0.0009545300000000 ] - [ -0.0005395000000000, 0.0013152900000000, -0.0023991500000000 ] - [ 0.0026308700000000, 0.0031736200000000, 0.0072113200000000 ] - [ -0.0091154600000000, 0.0176331100000000, -0.0085006800000000 ] - [ 0.0019458500000000, -0.0007896900000000, 0.0000298400000000 ] - [ 0.0076562200000000, 0.0067970200000000, -0.0028390900000000 ] - [ -0.0071330200000000, 0.0075464200000000, 0.0048785600000000 ] - [ -0.0014769200000000, 0.0001551400000000, -0.0007967300000000 ] - [ 0.0037945700000000, 0.0056376900000000, 0.0070564200000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0088515400000000, -0.0210265300000000, 0.0113299500000000 ] - [ -0.0001433200000000, 0.0002847900000000, -0.0004777900000000 ] - [ -0.0007380400000000, -0.0002454100000000, 0.0016506100000000 ] - [ 0.0000732200000000, -0.0002421200000000, 0.0002006200000000 ] - [ -0.0001038000000000, -0.0001325500000000, 0.0010197700000000 ] - [ 0.0001697500000000, -0.0006071600000000, 0.0005670700000000 ] - [ 0.0006519400000000, 0.0005910700000000, -0.0007833200000000 ] - [ 0.0001009100000000, -0.0011197800000000, -0.0005973300000000 ] - [ -0.0064674400000000, 0.0062379300000000, -0.0054529600000000 ] - [ -0.0005979200000000, -0.0011224300000000, -0.0010316700000000 ] - [ 0.0005743300000000, -0.0012512400000000, 0.0021785400000000 ] - [ 0.0002240600000000, 0.0001714100000000, 0.0000306000000000 ] - [ 0.0002838200000000, -0.0004853200000000, 0.0002919600000000 ] - [ 0.0003022400000000, 0.0006824500000000, 0.0008626500000000 ] - [ -0.0018614300000000, 0.0013940400000000, -0.0023816600000000 ] - [ -0.0000549700000000, -0.0005199700000000, -0.0000936200000000 ] - [ -0.0686176200000000, 0.0328500300000000, -0.1383391100000000 ] - [ 0.0003284600000000, -0.0000700800000000, -0.0005490000000000 ] - [ -0.0012142400000000, 0.0007086200000000, 0.0015639600000000 ] - [ 0.0234232500000000, 0.0047453000000000, 0.0028562700000000 ] - [ -0.0002508900000000, -0.0001664900000000, -0.0000820900000000 ] - [ -0.0003776400000000, -0.0002091800000000, 0.0005886900000000 ] - [ 0.0048752400000000, -0.0011314500000000, -0.0027062500000000 ] - [ -0.0003145700000000, -0.0007435400000000, -0.0004847200000000 ] - [ -0.0001673100000000, 0.0000463800000000, 0.0007114000000000 ] - [ 0.0002095900000000, -0.0011379300000000, 0.0026791000000000 ] - [ -0.0000623700000000, 0.0008721900000000, -0.0018701600000000 ] - [ 0.0004057700000000, -0.0000856400000000, -0.0001852800000000 ] - [ -0.0000074500000000, 0.0004851300000000, -0.0000813600000000 ] - [ 0.0028901400000000, -0.0013595500000000, 0.0005439300000000 ] - [ -0.0004903700000000, 0.0005302300000000, -0.0007122800000000 ] - [ -0.0001444500000000, -0.0000496600000000, 0.0006340700000000 ] - [ 0.0001776700000000, 0.0007680300000000, -0.0006077200000000 ] - [ 0.0143629000000000, -0.0286956700000000, 0.0091861900000000 ] - [ -0.0000087500000000, 0.0003759700000000, -0.0001608700000000 ] - [ 0.0005700600000000, 0.0005573700000000, 0.0012797700000000 ] - [ -0.0000200700000000, -0.0007062300000000, 0.0007515000000000 ] - [ 0.0003167900000000, 0.0029547800000000, 0.0021162200000000 ] - [ -0.0001404300000000, -0.0035039000000000, -0.0012943600000000 ] - [ 0.0009161300000000, 0.0019512600000000, 0.0003844700000000 ] - [ 0.0004544600000000, -0.0002835700000000, -0.0008843200000000 ] - [ -0.0101821000000000, 0.0164862900000000, 0.0007812100000000 ] - [ -0.0003681300000000, -0.0003003600000000, 0.0003424600000000 ] - [ -0.0003886700000000, 0.0000581200000000, 0.0009421200000000 ] - [ -0.0003404500000000, 0.0000865800000000, 0.0006477600000000 ] - [ -0.0004645300000000, 0.0010471800000000, 0.0024089900000000 ] - [ 0.0003808400000000, 0.0008227500000000, -0.0006303300000000 ] - [ 0.0012606700000000, 0.0011840700000000, -0.0025119200000000 ] - [ -0.0002033600000000, 0.0006460200000000, -0.0000766800000000 ] - [ 0.0160763400000000, -0.0000630500000000, -0.0070786200000000 ] - [ 0.0004085600000000, -0.0009388300000000, 0.0003820000000000 ] - [ 0.0009328600000000, 0.0013838000000000, 0.0003877900000000 ] - [ 0.0006008900000000, -0.0011979800000000, 0.0000562300000000 ] - [ 0.0000504900000000, 0.0009176500000000, 0.0051002000000000 ] - [ -0.0000563700000000, 0.0002670000000000, -0.0006801700000000 ] - [ 0.0008386900000000, -0.0002780200000000, 0.0010261400000000 ] - [ 0.0508513500000000, -0.0386307800000000, 0.0794496400000000 ] - [ 0.0008664100000000, 0.0005025500000000, 0.0014635200000000 ] - [ 0.0011942300000000, 0.0013280000000000, -0.0056790000000000 ] - [ -0.0009979400000000, 0.0005850700000000, -0.0000309800000000 ] - [ -0.0019541400000000, 0.0004778900000000, -0.0017697300000000 ] - [ -0.0007851400000000, 0.0004132700000000, -0.0014729200000000 ] - [ -0.0033819900000000, -0.0057500800000000, 0.0068057400000000 ] - [ 0.0006722800000000, 0.0010500800000000, 0.0008442900000000 ] - [ -0.0089151300000000, -0.0041637500000000, 0.0066538400000000 ] - [ 0.0000997200000000, 0.0011947900000000, 0.0028603500000000 ] - [ -0.0025236000000000, -0.0022856400000000, -0.0056380000000000 ] - [ -0.0005069100000000, 0.0009610900000000, -0.0011987700000000 ] - [ -0.0006722700000000, -0.0016633700000000, -0.0024140600000000 ] - [ -0.0001752800000000, 0.0004739700000000, -0.0005700300000000 ] - [ -0.0215681700000000, 0.0289619800000000, 0.0450564300000000 ] - [ 0.0001610200000000, -0.0003733800000000, 0.0013415300000000 ] - [ -0.0004432900000000, 0.0007559200000000, -0.0002547200000000 ] - [ 0.0012190500000000, -0.0039147800000000, 0.0014470700000000 ] - [ -0.0052770200000000, 0.0081359100000000, -0.0045724400000000 ] - [ 0.0001442300000000, -0.0016121000000000, -0.0012147800000000 ] - [ 0.0050835200000000, 0.0041508900000000, -0.0008415100000000 ] - [ -0.0009172400000000, -0.0005371200000000, 0.0006423800000000 ] - [ 0.0005547500000000, 0.0005359500000000, -0.0002685600000000 ] - [ 0.0003466200000000, -0.0020291700000000, -0.0043879600000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0092824300000000, 0.0209966700000000, -0.0112324100000000 ] - [ -0.0001500100000000, 0.0002588900000000, -0.0000040700000000 ] - [ 0.0010265800000000, 0.0007749200000000, -0.0011667500000000 ] - [ 0.0002154100000000, -0.0002920800000000, -0.0006817800000000 ] - [ 0.0003869100000000, 0.0006633500000000, -0.0014885300000000 ] - [ 0.0001227900000000, 0.0000670700000000, -0.0000862200000000 ] - [ -0.0009609100000000, -0.0011487600000000, 0.0002988200000000 ] - [ -0.0003971100000000, 0.0016745700000000, 0.0010866400000000 ] - [ 0.0059664500000000, -0.0051519600000000, 0.0063075700000000 ] - [ 0.0002262700000000, 0.0000903400000000, 0.0002613600000000 ] - [ -0.0001843900000000, 0.0001941200000000, -0.0013880500000000 ] - [ 0.0001524800000000, 0.0008707300000000, -0.0008093900000000 ] - [ 0.0000925600000000, -0.0005608900000000, -0.0010726400000000 ] - [ 0.0000801300000000, 0.0003634200000000, -0.0000828100000000 ] - [ 0.0014951000000000, -0.0003694200000000, 0.0016192300000000 ] - [ -0.0003256600000000, -0.0005155900000000, 0.0008728200000000 ] - [ 0.0724772700000000, -0.0353886900000000, 0.1390157900000000 ] - [ 0.0001485000000000, 0.0000313000000000, -0.0001512200000000 ] - [ 0.0007335200000000, -0.0007532000000000, -0.0008629900000000 ] - [ -0.0246482300000000, -0.0066570700000000, -0.0026208800000000 ] - [ -0.0002204500000000, 0.0002156000000000, -0.0006189200000000 ] - [ -0.0000956200000000, 0.0002548800000000, 0.0001103100000000 ] - [ -0.0044376900000000, 0.0011809200000000, 0.0020192400000000 ] - [ 0.0007969300000000, 0.0007138200000000, 0.0011863400000000 ] - [ -0.0002009700000000, -0.0000485700000000, -0.0010974000000000 ] - [ -0.0005792600000000, 0.0011405400000000, -0.0022916900000000 ] - [ 0.0004384200000000, -0.0008681000000000, 0.0014869100000000 ] - [ -0.0000387200000000, 0.0000872400000000, 0.0005722300000000 ] - [ -0.0001190400000000, -0.0004872900000000, -0.0008416700000000 ] - [ -0.0030248200000000, 0.0013650300000000, 0.0003744200000000 ] - [ 0.0006220100000000, -0.0005263800000000, -0.0002101500000000 ] - [ 0.0002835200000000, 0.0000507300000000, 0.0002912200000000 ] - [ -0.0000544700000000, -0.0002255100000000, -0.0002063200000000 ] - [ -0.0142139300000000, 0.0279550500000000, -0.0083443200000000 ] - [ -0.0001082700000000, -0.0009111400000000, -0.0006523600000000 ] - [ -0.0006952300000000, -0.0000137900000000, -0.0004641100000000 ] - [ -0.0001014200000000, 0.0001665300000000, 0.0000645000000000 ] - [ -0.0004187800000000, -0.0023881400000000, -0.0029031100000000 ] - [ 0.0002595100000000, 0.0040494100000000, 0.0021138800000000 ] - [ -0.0008011700000000, -0.0025128600000000, -0.0012101200000000 ] - [ 0.0002077400000000, 0.0001399500000000, 0.0000604600000000 ] - [ 0.0109336700000000, -0.0165236100000000, 0.0000103600000000 ] - [ -0.0002936500000000, 0.0004504600000000, -0.0011713200000000 ] - [ -0.0002777600000000, -0.0002014700000000, -0.0001161000000000 ] - [ -0.0003235300000000, 0.0000598800000000, 0.0001769600000000 ] - [ -0.0001921200000000, -0.0011937100000000, -0.0032388400000000 ] - [ 0.0002820800000000, -0.0009550900000000, 0.0014505100000000 ] - [ -0.0006101000000000, -0.0010491100000000, 0.0016943800000000 ] - [ -0.0006510800000000, 0.0011386900000000, 0.0003730400000000 ] - [ -0.0169751200000000, -0.0017061500000000, 0.0067386500000000 ] - [ 0.0004372800000000, -0.0008350500000000, -0.0000869200000000 ] - [ -0.0000877800000000, 0.0003901000000000, -0.0006837500000000 ] - [ 0.0002481000000000, -0.0005763500000000, -0.0003520000000000 ] - [ 0.0007936700000000, 0.0008645600000000, -0.0047230700000000 ] - [ -0.0007980700000000, 0.0015207400000000, 0.0003852600000000 ] - [ -0.0013074100000000, 0.0002255300000000, -0.0017301400000000 ] - [ -0.0512880200000000, 0.0403583900000000, -0.0813292700000000 ] - [ 0.0008833900000000, -0.0005279500000000, -0.0000311100000000 ] - [ -0.0029434400000000, -0.0013201100000000, 0.0042413900000000 ] - [ -0.0007505200000000, -0.0005827600000000, 0.0014636900000000 ] - [ 0.0002084800000000, -0.0004739000000000, 0.0032017600000000 ] - [ -0.0009684600000000, -0.0004086300000000, 0.0000343100000000 ] - [ 0.0051975300000000, 0.0058534500000000, -0.0054167800000000 ] - [ 0.0010768300000000, -0.0010826600000000, -0.0022882700000000 ] - [ 0.0096395700000000, 0.0049346200000000, -0.0056086700000000 ] - [ 0.0005724200000000, -0.0019630700000000, -0.0039167900000000 ] - [ 0.0018331900000000, 0.0015572500000000, 0.0067069100000000 ] - [ -0.0001645700000000, -0.0002243400000000, 0.0001387500000000 ] - [ 0.0000090800000000, 0.0009258500000000, 0.0013586300000000 ] - [ -0.0004980000000000, 0.0002591900000000, 0.0016324300000000 ] - [ 0.0215551000000000, -0.0274098900000000, -0.0453238700000000 ] - [ 0.0005147300000000, -0.0003781900000000, -0.0002807500000000 ] - [ 0.0009027200000000, -0.0007593500000000, -0.0003592100000000 ] - [ -0.0007668500000000, 0.0039062400000000, -0.0008441800000000 ] - [ 0.0048519900000000, -0.0082073900000000, 0.0039914300000000 ] - [ -0.0006067200000000, 0.0016193500000000, 0.0018299200000000 ] - [ -0.0068400800000000, -0.0041765400000000, 0.0004053500000000 ] - [ -0.0007716700000000, 0.0005316400000000, -0.0002088800000000 ] - [ 0.0011599600000000, -0.0005360200000000, -0.0001709400000000 ] - [ 0.0013416400000000, 0.0020097300000000, 0.0047932600000000 ]- atom: 20 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0178443300000000, 0.0310894200000000, -0.0028065800000000 ] - [ -0.0001991100000000, 0.0008711300000000, -0.0004873100000000 ] - [ -0.0020109300000000, -0.0012908900000000, -0.0007402700000000 ] - [ 0.0006319600000000, 0.0001280000000000, -0.0000623300000000 ] - [ 0.0017422200000000, -0.0001442400000000, 0.0002333600000000 ] - [ -0.0008811300000000, 0.0008463800000000, -0.0000288400000000 ] - [ 0.0005447900000000, -0.0035933300000000, -0.0031514900000000 ] - [ -0.0010099500000000, 0.0026302200000000, 0.0009607900000000 ] - [ -0.0113754400000000, 0.0036602900000000, 0.0045851000000000 ] - [ 0.0010990800000000, 0.0008574600000000, 0.0004740500000000 ] - [ -0.0004942200000000, -0.0018811900000000, -0.0006092800000000 ] - [ 0.0012867100000000, 0.0017411800000000, -0.0008938200000000 ] - [ 0.0014701500000000, -0.0014919800000000, -0.0010901500000000 ] - [ -0.0003287700000000, 0.0009628600000000, 0.0005173500000000 ] - [ 0.0071328500000000, -0.0043879200000000, 0.0007549100000000 ] - [ -0.0005125900000000, 0.0006629000000000, 0.0002818700000000 ] - [ 0.0417756100000000, -0.0003887600000000, 0.0246513300000000 ] - [ 0.0017847600000000, 0.0020383800000000, -0.0007149400000000 ] - [ -0.0015854800000000, -0.0007417200000000, 0.0007284600000000 ] - [ -0.3382738300000000, -0.1832428900000000, 0.0098709900000000 ] - [ 0.0006924000000000, 0.0012222900000000, -0.0001719600000000 ] - [ -0.0000443000000000, 0.0009336600000000, 0.0003594300000000 ] - [ 0.0496115100000000, -0.0169242300000000, -0.0167458600000000 ] - [ 0.0004429100000000, 0.0008741100000000, 0.0005692300000000 ] - [ -0.0017545500000000, 0.0018722200000000, 0.0029913200000000 ] - [ 0.0005289300000000, -0.0005162400000000, 0.0006820500000000 ] - [ 0.0009838900000000, 0.0013409300000000, 0.0014265600000000 ] - [ -0.0005869100000000, -0.0003365800000000, 0.0000104500000000 ] - [ -0.0055408400000000, 0.0004958000000000, -0.0004976200000000 ] - [ 0.0028964600000000, -0.0000182900000000, 0.0000951000000000 ] - [ -0.0000807200000000, 0.0006389400000000, 0.0001186800000000 ] - [ 0.0011059700000000, -0.0002554700000000, 0.0002951200000000 ] - [ -0.0006500200000000, 0.0057054300000000, -0.0021664200000000 ] - [ 0.0031816500000000, -0.0049502600000000, 0.0036942800000000 ] - [ 0.0003466500000000, 0.0011236700000000, 0.0006463300000000 ] - [ -0.0005555100000000, -0.0008490300000000, 0.0003417000000000 ] - [ -0.0000494600000000, 0.0002402000000000, 0.0001418600000000 ] - [ 0.0002865400000000, 0.0002269900000000, 0.0002572400000000 ] - [ 0.0005400600000000, -0.0000469200000000, 0.0005036500000000 ] - [ 0.0122171100000000, 0.0296570200000000, 0.0126601800000000 ] - [ 0.0001482500000000, 0.0020833500000000, -0.0002267600000000 ] - [ 0.0048065000000000, -0.0041882600000000, -0.0012815500000000 ] - [ -0.0003313600000000, 0.0010712900000000, -0.0011011300000000 ] - [ -0.0008906400000000, -0.0007117700000000, 0.0009376500000000 ] - [ -0.0004274800000000, 0.0007038100000000, 0.0009064400000000 ] - [ 0.0005352900000000, -0.0007899600000000, -0.0018610000000000 ] - [ 0.0003371500000000, -0.0000686700000000, 0.0001582900000000 ] - [ 0.0065321600000000, 0.0098715000000000, -0.0117189200000000 ] - [ -0.0024720000000000, 0.0034116300000000, -0.0001217200000000 ] - [ 0.0131983600000000, 0.0018998700000000, -0.0028573800000000 ] - [ -0.0003975400000000, 0.0003783400000000, 0.0002299900000000 ] - [ 0.0001131200000000, -0.0001928300000000, 0.0006909300000000 ] - [ 0.0002089200000000, -0.0000934900000000, -0.0001745900000000 ] - [ -0.0005562300000000, -0.0005689600000000, 0.0008371700000000 ] - [ -0.0001503200000000, 0.0013884500000000, -0.0000909500000000 ] - [ 0.0019039000000000, -0.0020438800000000, 0.0001630000000000 ] - [ 0.0591742700000000, 0.0429468900000000, 0.0138648600000000 ] - [ -0.0010505700000000, -0.0019610100000000, 0.0009344600000000 ] - [ 0.0028311700000000, 0.0029944500000000, -0.0003039800000000 ] - [ -0.0022333700000000, -0.0018024200000000, 0.0006539000000000 ] - [ -0.0043035000000000, 0.0024070600000000, -0.0009897300000000 ] - [ 0.0002959100000000, -0.0022683400000000, -0.0006322500000000 ] - [ -0.0203748400000000, 0.0138842200000000, 0.0168427200000000 ] - [ 0.0025849000000000, -0.0039384200000000, -0.0012623100000000 ] - [ 0.1768511500000000, 0.0769688300000000, -0.0448656500000000 ] - [ -0.0001802200000000, -0.0011827500000000, -0.0003559800000000 ] - [ -0.0017794800000000, 0.0020903700000000, 0.0009402100000000 ] - [ -0.0002109000000000, -0.0014221100000000, -0.0006101400000000 ] - [ 0.0017092600000000, 0.0021273400000000, -0.0014222000000000 ] - [ -0.0001855900000000, -0.0020118000000000, 0.0006449100000000 ] - [ -0.0240708200000000, 0.0194946500000000, -0.0013124100000000 ] - [ 0.0015679500000000, -0.0057673400000000, 0.0018360400000000 ] - [ 0.0003414700000000, 0.0007825300000000, -0.0005297900000000 ] - [ -0.0004149600000000, -0.0021882600000000, -0.0022443800000000 ] - [ -0.0041379900000000, 0.0031468800000000, -0.0016602000000000 ] - [ 0.0138168800000000, -0.0160636000000000, -0.0078272400000000 ] - [ -0.0099856300000000, -0.0051933900000000, 0.0008476300000000 ] - [ 0.0034092900000000, -0.0020152500000000, -0.0011983500000000 ] - [ 0.0004096800000000, -0.0040801700000000, 0.0049342500000000 ] - [ 0.0011650600000000, 0.0021416700000000, 0.0015416100000000 ]- atom: 20 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0181085300000000, -0.0312577300000000, 0.0032097900000000 ] - [ -0.0000805100000000, -0.0003448100000000, 0.0000183800000000 ] - [ 0.0023104900000000, 0.0018409000000000, 0.0012231000000000 ] - [ -0.0003380500000000, -0.0006753800000000, -0.0004207200000000 ] - [ -0.0014578700000000, 0.0006855500000000, -0.0007175000000000 ] - [ 0.0011808800000000, -0.0013975800000000, 0.0005070700000000 ] - [ -0.0008144500000000, 0.0031187900000000, 0.0027235100000000 ] - [ 0.0007166900000000, -0.0021028700000000, -0.0004811200000000 ] - [ 0.0109778000000000, -0.0029725400000000, -0.0040688900000000 ] - [ -0.0014800700000000, -0.0019036900000000, -0.0012513900000000 ] - [ 0.0008753200000000, 0.0008466200000000, 0.0013933300000000 ] - [ -0.0009128600000000, -0.0007138900000000, 0.0001184800000000 ] - [ -0.0010913600000000, 0.0004571600000000, 0.0003101100000000 ] - [ 0.0007068300000000, 0.0000673500000000, 0.0002561000000000 ] - [ -0.0075906500000000, 0.0055053400000000, -0.0015548500000000 ] - [ 0.0001275200000000, -0.0017254700000000, 0.0005066800000000 ] - [ -0.0408384900000000, 0.0006260300000000, -0.0234182100000000 ] - [ -0.0013151900000000, -0.0020933300000000, 0.0000228600000000 ] - [ 0.0011103100000000, 0.0007177100000000, -0.0000100700000000 ] - [ 0.3479765500000000, 0.1854082400000000, -0.0147303600000000 ] - [ -0.0011782100000000, -0.0011991900000000, -0.0005293300000000 ] - [ -0.0004393900000000, -0.0009104900000000, 0.0003360100000000 ] - [ -0.0503877500000000, 0.0173122300000000, 0.0163034700000000 ] - [ 0.0000308200000000, -0.0009217600000000, 0.0001264500000000 ] - [ 0.0014000800000000, -0.0018941900000000, -0.0034197100000000 ] - [ -0.0009013900000000, 0.0005120800000000, -0.0002893200000000 ] - [ -0.0006327000000000, -0.0013504700000000, -0.0018272900000000 ] - [ 0.0009778500000000, 0.0003368000000000, 0.0003893300000000 ] - [ 0.0054561900000000, -0.0004789500000000, -0.0004092600000000 ] - [ -0.0030273500000000, 0.0000138400000000, 0.0008242600000000 ] - [ 0.0001842900000000, -0.0006581100000000, -0.0010607100000000 ] - [ -0.0009613200000000, 0.0002596100000000, 0.0006274600000000 ] - [ 0.0007805700000000, -0.0052275800000000, 0.0013821400000000 ] - [ -0.0030646900000000, 0.0043961100000000, -0.0028825700000000 ] - [ -0.0004776000000000, -0.0016787100000000, -0.0014661900000000 ] - [ 0.0004454200000000, 0.0013950300000000, 0.0004739100000000 ] - [ -0.0000715600000000, -0.0007903400000000, 0.0006706700000000 ] - [ -0.0004169000000000, 0.0003315800000000, -0.0010698800000000 ] - [ -0.0004192500000000, 0.0005766500000000, 0.0003002300000000 ] - [ -0.0124769400000000, -0.0309079300000000, -0.0138398700000000 ] - [ 0.0005156600000000, -0.0022473800000000, -0.0006042500000000 ] - [ -0.0041286800000000, 0.0043247700000000, 0.0021157400000000 ] - [ -0.0003299000000000, -0.0009272600000000, 0.0002686500000000 ] - [ 0.0002404900000000, 0.0005741400000000, -0.0001146900000000 ] - [ -0.0002319600000000, -0.0005661100000000, -0.0000874600000000 ] - [ -0.0012036500000000, 0.0006488300000000, 0.0010352500000000 ] - [ 0.0003251800000000, -0.0000901500000000, 0.0006781400000000 ] - [ -0.0058705800000000, -0.0098463900000000, 0.0110675600000000 ] - [ 0.0016323400000000, -0.0016539800000000, 0.0004275500000000 ] - [ -0.0141171600000000, -0.0037053300000000, 0.0025948700000000 ] - [ 0.0012579400000000, -0.0021712700000000, 0.0000674900000000 ] - [ 0.0007621500000000, 0.0019958700000000, -0.0010002200000000 ] - [ 0.0006565000000000, -0.0016992000000000, -0.0001275200000000 ] - [ 0.0014157500000000, 0.0023633100000000, -0.0005385400000000 ] - [ -0.0007017000000000, 0.0003820300000000, -0.0002100400000000 ] - [ -0.0023985400000000, 0.0020278800000000, -0.0008635100000000 ] - [ -0.0560981900000000, -0.0401455700000000, -0.0140996600000000 ] - [ 0.0028064800000000, 0.0019688900000000, 0.0004908400000000 ] - [ -0.0045771600000000, -0.0030451800000000, -0.0011365500000000 ] - [ 0.0004911500000000, 0.0018408900000000, 0.0007822300000000 ] - [ 0.0025664300000000, -0.0024483100000000, 0.0024424000000000 ] - [ -0.0020485500000000, 0.0023066800000000, -0.0008012600000000 ] - [ 0.0222782000000000, -0.0140554300000000, -0.0155677700000000 ] - [ -0.0008328000000000, 0.0039643200000000, -0.0001799100000000 ] - [ -0.1869238700000000, -0.0827853000000000, 0.0495901300000000 ] - [ 0.0008560000000000, 0.0004577400000000, -0.0007063800000000 ] - [ 0.0011271100000000, -0.0028643700000000, 0.0001167000000000 ] - [ -0.0004651000000000, 0.0021914500000000, -0.0004446500000000 ] - [ -0.0024197800000000, -0.0029044800000000, 0.0003700400000000 ] - [ -0.0004836000000000, 0.0027827800000000, 0.0004208100000000 ] - [ 0.0248034900000000, -0.0187354400000000, 0.0002712100000000 ] - [ -0.0009065200000000, 0.0050678900000000, -0.0007957700000000 ] - [ 0.0000978800000000, -0.0007805700000000, -0.0000902300000000 ] - [ 0.0009291400000000, 0.0021952400000000, 0.0028787300000000 ] - [ 0.0036862900000000, -0.0031333400000000, 0.0010426300000000 ] - [ -0.0144417500000000, 0.0162390200000000, 0.0085270400000000 ] - [ 0.0083406400000000, 0.0052112400000000, -0.0012932100000000 ] - [ -0.0052244800000000, 0.0020993400000000, 0.0016773100000000 ] - [ 0.0012955000000000, 0.0040919500000000, -0.0053822800000000 ] - [ 0.0005451500000000, -0.0021318400000000, -0.0010974900000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0246472500000000, 0.0237199600000000, -0.0017536600000000 ] - [ -0.0010412100000000, 0.0023026800000000, -0.0010836000000000 ] - [ -0.0016081400000000, -0.0019441500000000, -0.0010310400000000 ] - [ 0.0002087600000000, 0.0009296400000000, 0.0002616500000000 ] - [ 0.0010523300000000, -0.0011590500000000, 0.0006502300000000 ] - [ -0.0010205100000000, 0.0015670100000000, -0.0001254900000000 ] - [ -0.0013011100000000, -0.0026112400000000, -0.0012297200000000 ] - [ -0.0011188500000000, 0.0032918700000000, 0.0009843900000000 ] - [ 0.0004974300000000, 0.0264287500000000, 0.0260445900000000 ] - [ 0.0011844000000000, 0.0017723300000000, 0.0006435800000000 ] - [ -0.0003892800000000, -0.0024874700000000, 0.0012775900000000 ] - [ 0.0015148100000000, 0.0024761000000000, -0.0010982500000000 ] - [ 0.0017322900000000, -0.0024374000000000, -0.0014696900000000 ] - [ -0.0000910300000000, 0.0021270000000000, 0.0013159900000000 ] - [ 0.0030437600000000, -0.0017137700000000, 0.0005566700000000 ] - [ 0.0002252200000000, 0.0023517500000000, -0.0004987500000000 ] - [ 0.0131640500000000, -0.0115210200000000, 0.0060825000000000 ] - [ 0.0024995700000000, 0.0033577900000000, -0.0009790000000000 ] - [ 0.0003955800000000, -0.0030954400000000, 0.0003336200000000 ] - [ -0.1858979000000000, -0.2605834800000000, -0.0523583600000000 ] - [ 0.0011135800000000, 0.0021287400000000, -0.0000410800000000 ] - [ 0.0007105300000000, 0.0021689600000000, 0.0002977500000000 ] - [ 0.0000654200000000, -0.0119830200000000, -0.0012483100000000 ] - [ 0.0011735100000000, 0.0020881700000000, 0.0005992400000000 ] - [ -0.0007861400000000, 0.0019754400000000, 0.0041765700000000 ] - [ 0.0003194700000000, -0.0001564200000000, 0.0003604300000000 ] - [ 0.0016482100000000, 0.0016597500000000, 0.0017146600000000 ] - [ -0.0009818000000000, 0.0008534400000000, -0.0010765800000000 ] - [ -0.0034494300000000, 0.0063186500000000, 0.0033070000000000 ] - [ 0.0025436700000000, 0.0004003300000000, -0.0000853700000000 ] - [ 0.0020068900000000, 0.0019107400000000, 0.0016145800000000 ] - [ 0.0006874900000000, 0.0001280900000000, -0.0002001500000000 ] - [ 0.0005309000000000, 0.0069224100000000, -0.0031201700000000 ] - [ 0.0013559100000000, -0.0035650200000000, 0.0021380000000000 ] - [ 0.0009327400000000, 0.0020138000000000, 0.0012449600000000 ] - [ -0.0009486300000000, -0.0005828200000000, -0.0014349100000000 ] - [ 0.0002424800000000, 0.0014929400000000, -0.0006815600000000 ] - [ 0.0005663100000000, -0.0010713000000000, 0.0006420200000000 ] - [ 0.0005617400000000, 0.0010948200000000, 0.0008940700000000 ] - [ 0.0218461300000000, 0.0275763700000000, 0.0145596200000000 ] - [ 0.0002733800000000, 0.0027110500000000, -0.0001728500000000 ] - [ 0.0003767400000000, -0.0030914700000000, -0.0018188600000000 ] - [ -0.0003875100000000, 0.0016387100000000, -0.0013907700000000 ] - [ -0.0008757100000000, -0.0017550400000000, 0.0018510200000000 ] - [ -0.0004937100000000, 0.0016761000000000, 0.0016467200000000 ] - [ 0.0003265400000000, -0.0015075500000000, -0.0024182000000000 ] - [ 0.0000909600000000, 0.0010328700000000, -0.0004083100000000 ] - [ 0.0196411700000000, 0.0070549100000000, -0.0180204400000000 ] - [ -0.0029628400000000, 0.0048285600000000, -0.0004789100000000 ] - [ 0.0024054900000000, -0.0027359500000000, -0.0001885800000000 ] - [ -0.0008533400000000, 0.0014959000000000, 0.0004235900000000 ] - [ -0.0006715100000000, -0.0018006800000000, 0.0001135700000000 ] - [ -0.0003797500000000, 0.0009939100000000, -0.0002017000000000 ] - [ -0.0010419500000000, -0.0020896800000000, 0.0008501900000000 ] - [ -0.0009324100000000, 0.0026943500000000, -0.0000915400000000 ] - [ 0.0019032400000000, -0.0029271200000000, 0.0001455500000000 ] - [ 0.0471608800000000, 0.1284893100000000, 0.0428723200000000 ] - [ -0.0008599700000000, -0.0045996400000000, 0.0013671900000000 ] - [ 0.0010571200000000, 0.0063607600000000, -0.0013992300000000 ] - [ -0.0021805800000000, -0.0037042700000000, 0.0004957200000000 ] - [ -0.0034958300000000, 0.0051517700000000, -0.0005700700000000 ] - [ -0.0001890400000000, -0.0045669700000000, -0.0010232600000000 ] - [ -0.0050804200000000, 0.0064725700000000, 0.0031821500000000 ] - [ 0.0018196100000000, -0.0066996800000000, -0.0005162500000000 ] - [ 0.0598649100000000, 0.0781468200000000, -0.0195849600000000 ] - [ 0.0002737900000000, -0.0037697100000000, 0.0000366100000000 ] - [ -0.0009607300000000, 0.0044433400000000, 0.0011836300000000 ] - [ -0.0001319000000000, -0.0037760800000000, -0.0007060300000000 ] - [ 0.0007936000000000, 0.0060256800000000, -0.0003977200000000 ] - [ -0.0000654000000000, -0.0039305500000000, 0.0003471400000000 ] - [ -0.0067744100000000, 0.0133885100000000, 0.0014663900000000 ] - [ 0.0013262900000000, -0.0086773000000000, 0.0024977800000000 ] - [ 0.0005368400000000, -0.0014492500000000, 0.0015446300000000 ] - [ -0.0038133800000000, -0.0020532500000000, -0.0031322700000000 ] - [ -0.0031799900000000, 0.0011278900000000, -0.0007568500000000 ] - [ 0.0075959500000000, -0.0178193100000000, -0.0098471000000000 ] - [ -0.0088201000000000, -0.0070350900000000, 0.0021256300000000 ] - [ 0.0072553800000000, -0.0086480500000000, -0.0041693500000000 ] - [ 0.0000652300000000, -0.0052851400000000, 0.0055343400000000 ] - [ 0.0035469400000000, 0.0000428200000000, -0.0005749600000000 ]- atom: 20 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0243853100000000, -0.0236873400000000, 0.0021060900000000 ] - [ 0.0007468700000000, -0.0017564700000000, 0.0005947200000000 ] - [ 0.0018905400000000, 0.0024762100000000, 0.0015110200000000 ] - [ 0.0000818900000000, -0.0014663800000000, -0.0007479000000000 ] - [ -0.0007611800000000, 0.0016962500000000, -0.0011284600000000 ] - [ 0.0013076000000000, -0.0021040300000000, 0.0006067500000000 ] - [ 0.0010023800000000, 0.0020363600000000, 0.0007156100000000 ] - [ 0.0008252300000000, -0.0027398000000000, -0.0004933700000000 ] - [ -0.0008697200000000, -0.0249386700000000, -0.0246184800000000 ] - [ -0.0015571600000000, -0.0028101200000000, -0.0014167600000000 ] - [ 0.0007712500000000, 0.0014350900000000, -0.0004894300000000 ] - [ -0.0011308800000000, -0.0014281900000000, 0.0003150600000000 ] - [ -0.0013484200000000, 0.0013900300000000, 0.0006859600000000 ] - [ 0.0004709600000000, -0.0010815100000000, -0.0005381100000000 ] - [ -0.0033681600000000, 0.0027075200000000, -0.0013229000000000 ] - [ -0.0006058500000000, -0.0033868700000000, 0.0012772300000000 ] - [ -0.0126399700000000, 0.0114545800000000, -0.0053188900000000 ] - [ -0.0020155600000000, -0.0033951100000000, 0.0002773300000000 ] - [ -0.0008782800000000, 0.0030460500000000, 0.0003875400000000 ] - [ 0.1827037700000000, 0.2531147300000000, 0.0480708900000000 ] - [ -0.0015873400000000, -0.0020798800000000, -0.0006618000000000 ] - [ -0.0011875300000000, -0.0021220000000000, 0.0004023200000000 ] - [ 0.0007819100000000, 0.0118767900000000, 0.0003967400000000 ] - [ -0.0006889200000000, -0.0021226400000000, 0.0001041700000000 ] - [ 0.0004140000000000, -0.0019728400000000, -0.0045782000000000 ] - [ -0.0006870300000000, 0.0001552100000000, 0.0000310400000000 ] - [ -0.0012718800000000, -0.0016585800000000, -0.0021113500000000 ] - [ 0.0013449200000000, -0.0008564400000000, 0.0014635000000000 ] - [ 0.0033264700000000, -0.0063903800000000, -0.0042695100000000 ] - [ -0.0026598000000000, -0.0003969800000000, 0.0010043500000000 ] - [ -0.0018711600000000, -0.0019006300000000, -0.0025314200000000 ] - [ -0.0005522400000000, -0.0001303800000000, 0.0011258100000000 ] - [ -0.0004090700000000, -0.0063808000000000, 0.0023088100000000 ] - [ -0.0012185900000000, 0.0030212300000000, -0.0013231800000000 ] - [ -0.0010519600000000, -0.0025472500000000, -0.0020585500000000 ] - [ 0.0008142100000000, 0.0011216200000000, 0.0022378000000000 ] - [ -0.0003678800000000, -0.0020320000000000, 0.0014973500000000 ] - [ -0.0006853800000000, 0.0016069900000000, -0.0014567200000000 ] - [ -0.0004342100000000, -0.0005515700000000, -0.0000747800000000 ] - [ -0.0222191000000000, -0.0283731900000000, -0.0156419900000000 ] - [ 0.0003868200000000, -0.0028491900000000, -0.0006471200000000 ] - [ 0.0002945400000000, 0.0032340700000000, 0.0026340900000000 ] - [ -0.0002731800000000, -0.0014826900000000, 0.0005597700000000 ] - [ 0.0002089500000000, 0.0015974800000000, -0.0010144200000000 ] - [ -0.0001692600000000, -0.0015198800000000, -0.0008171700000000 ] - [ -0.0009824600000000, 0.0013506900000000, 0.0015786100000000 ] - [ 0.0005708800000000, -0.0011816900000000, 0.0012323900000000 ] - [ -0.0191754300000000, -0.0068777300000000, 0.0174404800000000 ] - [ 0.0021021400000000, -0.0030409600000000, 0.0007737200000000 ] - [ -0.0031953700000000, 0.0009724200000000, -0.0001272200000000 ] - [ 0.0017021100000000, -0.0032696400000000, -0.0001303100000000 ] - [ 0.0015244000000000, 0.0035766400000000, -0.0004007500000000 ] - [ 0.0012337200000000, -0.0027696200000000, -0.0000939300000000 ] - [ 0.0018955900000000, 0.0038620300000000, -0.0005529200000000 ] - [ 0.0000767000000000, -0.0009094300000000, -0.0002026000000000 ] - [ -0.0023732800000000, 0.0028750100000000, -0.0008484800000000 ] - [ -0.0407524000000000, -0.1227601900000000, -0.0408480400000000 ] - [ 0.0026052500000000, 0.0045696800000000, 0.0000687000000000 ] - [ -0.0027904500000000, -0.0063674400000000, -0.0000430200000000 ] - [ 0.0004287700000000, 0.0037129800000000, 0.0009401600000000 ] - [ 0.0017375000000000, -0.0051656100000000, 0.0019990200000000 ] - [ -0.0015583400000000, 0.0045746000000000, -0.0004113100000000 ] - [ 0.0066979200000000, -0.0063031800000000, -0.0016157300000000 ] - [ -0.0000695000000000, 0.0066592100000000, -0.0009222500000000 ] - [ -0.0617256400000000, -0.0778776700000000, 0.0213527600000000 ] - [ 0.0003983500000000, 0.0030083200000000, -0.0011006200000000 ] - [ 0.0002792300000000, -0.0051722800000000, -0.0001111400000000 ] - [ -0.0005406500000000, 0.0045150200000000, -0.0003587300000000 ] - [ -0.0014642300000000, -0.0067395800000000, -0.0006760600000000 ] - [ -0.0006090900000000, 0.0046665700000000, 0.0007164200000000 ] - [ 0.0073672900000000, -0.0126206200000000, -0.0025317100000000 ] - [ -0.0006468900000000, 0.0079113200000000, -0.0014437600000000 ] - [ -0.0000785400000000, 0.0014580600000000, -0.0021540900000000 ] - [ 0.0042439900000000, 0.0020463600000000, 0.0037335300000000 ] - [ 0.0027176700000000, -0.0011324300000000, 0.0001510600000000 ] - [ -0.0080483700000000, 0.0177871200000000, 0.0104425400000000 ] - [ 0.0070629500000000, 0.0070118100000000, -0.0025642000000000 ] - [ -0.0089016100000000, 0.0086087600000000, 0.0045845200000000 ] - [ 0.0016363700000000, 0.0052621300000000, -0.0059373000000000 ] - [ -0.0018458200000000, -0.0000490600000000, 0.0010068500000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0100081500000000, -0.0134573300000000, -0.0036264800000000 ] - [ -0.0006432100000000, 0.0008609100000000, -0.0007573900000000 ] - [ 0.0006939700000000, 0.0009808000000000, 0.0022456400000000 ] - [ 0.0000492300000000, 0.0000146500000000, 0.0000733600000000 ] - [ 0.0002866400000000, 0.0002199400000000, 0.0002283100000000 ] - [ 0.0003743000000000, -0.0003845800000000, 0.0006909000000000 ] - [ -0.0008050600000000, -0.0004369800000000, -0.0007150800000000 ] - [ 0.0000547300000000, 0.0000243600000000, -0.0001782300000000 ] - [ 0.0017271200000000, 0.0268111900000000, 0.0079817100000000 ] - [ -0.0003753100000000, -0.0006657700000000, -0.0008219700000000 ] - [ -0.0003490500000000, -0.0000391200000000, 0.0023396900000000 ] - [ -0.0000024800000000, 0.0002741400000000, 0.0001027100000000 ] - [ -0.0000237800000000, -0.0000567400000000, 0.0007128600000000 ] - [ 0.0001708600000000, 0.0009316600000000, 0.0008875500000000 ] - [ -0.0006759700000000, 0.0012459600000000, -0.0012232400000000 ] - [ 0.0001906400000000, 0.0004202800000000, -0.0002442600000000 ] - [ 0.0192395500000000, 0.0021693600000000, 0.0031317200000000 ] - [ 0.0005207200000000, 0.0004074900000000, -0.0008818400000000 ] - [ 0.0002199500000000, -0.0005629700000000, 0.0052186000000000 ] - [ 0.0113769700000000, -0.0516760900000000, -0.1258523500000000 ] - [ -0.0001636800000000, 0.0001610300000000, -0.0001443100000000 ] - [ -0.0001764700000000, 0.0002242100000000, 0.0005824600000000 ] - [ 0.0036168900000000, -0.0026759200000000, -0.0072925000000000 ] - [ 0.0002606100000000, 0.0000730800000000, 0.0001230100000000 ] - [ -0.0002056800000000, 0.0008421700000000, 0.0018372100000000 ] - [ -0.0004732800000000, -0.0000009100000000, 0.0010752400000000 ] - [ 0.0006974100000000, 0.0002922200000000, -0.0008116600000000 ] - [ -0.0001201300000000, -0.0000301200000000, -0.0011845600000000 ] - [ -0.0011228500000000, 0.0028557800000000, 0.0001272700000000 ] - [ -0.0008321100000000, -0.0005095200000000, 0.0010085900000000 ] - [ 0.0012087400000000, 0.0007583000000000, 0.0005645600000000 ] - [ 0.0002766000000000, -0.0002880700000000, 0.0001164700000000 ] - [ 0.0003587700000000, 0.0032518600000000, -0.0019381000000000 ] - [ 0.0005186600000000, -0.0014636600000000, 0.0010000800000000 ] - [ 0.0002825800000000, 0.0001752500000000, -0.0000803400000000 ] - [ 0.0012317400000000, -0.0016407900000000, 0.0009289800000000 ] - [ -0.0000409200000000, -0.0007302300000000, 0.0005081800000000 ] - [ 0.0001520600000000, -0.0001265500000000, 0.0004320300000000 ] - [ -0.0001887100000000, -0.0001899400000000, 0.0001702600000000 ] - [ 0.0137185300000000, 0.0188054800000000, 0.0021369200000000 ] - [ 0.0004414900000000, -0.0009383200000000, -0.0014140300000000 ] - [ 0.0000913600000000, -0.0012828200000000, -0.0016489100000000 ] - [ -0.0002894800000000, -0.0000278500000000, -0.0000860500000000 ] - [ -0.0001903300000000, -0.0011732400000000, 0.0022948700000000 ] - [ -0.0003705400000000, 0.0004511100000000, 0.0011412800000000 ] - [ -0.0004853000000000, -0.0001252100000000, 0.0001950700000000 ] - [ 0.0001950600000000, 0.0001094800000000, -0.0000422400000000 ] - [ -0.0138301500000000, -0.0128894100000000, 0.0026263100000000 ] - [ -0.0007041800000000, 0.0015134100000000, -0.0004505600000000 ] - [ 0.0023140500000000, -0.0008538100000000, -0.0008722100000000 ] - [ 0.0003463700000000, -0.0006112500000000, 0.0003856700000000 ] - [ 0.0012725600000000, 0.0011455200000000, 0.0004538300000000 ] - [ 0.0004057500000000, -0.0008342100000000, 0.0000600700000000 ] - [ -0.0002541400000000, 0.0001891400000000, 0.0011711900000000 ] - [ -0.0004884400000000, 0.0009420900000000, -0.0003508900000000 ] - [ -0.0000145300000000, -0.0001978500000000, 0.0001869300000000 ] - [ 0.0268734500000000, 0.0527020100000000, 0.0650575900000000 ] - [ 0.0009094600000000, -0.0003791500000000, 0.0014721600000000 ] - [ 0.0007091000000000, -0.0008899300000000, -0.0060958100000000 ] - [ -0.0008448200000000, -0.0002503000000000, 0.0000224200000000 ] - [ -0.0014527500000000, -0.0005009600000000, -0.0011131000000000 ] - [ -0.0009245400000000, -0.0005748000000000, -0.0015827700000000 ] - [ 0.0002190100000000, -0.0009931700000000, 0.0022857900000000 ] - [ 0.0004375100000000, -0.0007843400000000, 0.0005189200000000 ] - [ -0.0551316400000000, -0.0230744100000000, 0.0586373400000000 ] - [ 0.0003938500000000, -0.0003026200000000, 0.0002368200000000 ] - [ -0.0000303500000000, 0.0003994600000000, -0.0012863200000000 ] - [ -0.0004380900000000, 0.0002294100000000, -0.0013453100000000 ] - [ -0.0032572800000000, 0.0023584700000000, -0.0040705600000000 ] - [ -0.0003304100000000, -0.0000796600000000, -0.0001657200000000 ] - [ -0.0040854700000000, 0.0084856400000000, 0.0025792400000000 ] - [ 0.0004970500000000, -0.0016054800000000, 0.0035853900000000 ] - [ -0.0008476100000000, 0.0021605100000000, 0.0016537500000000 ] - [ -0.0018458400000000, -0.0008353300000000, -0.0001794300000000 ] - [ 0.0002189300000000, 0.0008949500000000, -0.0014963700000000 ] - [ 0.0027135700000000, -0.0079833000000000, -0.0035410800000000 ] - [ 0.0008420800000000, 0.0012096200000000, 0.0002028500000000 ] - [ 0.0030663800000000, -0.0041479700000000, -0.0022072000000000 ] - [ 0.0003762700000000, 0.0025943500000000, -0.0054462700000000 ] - [ 0.0024721700000000, -0.0009145900000000, 0.0001553400000000 ]- atom: 20 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0097869500000000, 0.0130366900000000, 0.0040443500000000 ] - [ 0.0003489300000000, -0.0003173300000000, 0.0002713200000000 ] - [ -0.0004044400000000, -0.0004464600000000, -0.0017646100000000 ] - [ 0.0002434400000000, -0.0005564800000000, -0.0005593200000000 ] - [ 0.0000034900000000, 0.0003184800000000, -0.0007079500000000 ] - [ -0.0000821200000000, -0.0001595700000000, -0.0002068500000000 ] - [ 0.0005120500000000, -0.0001112800000000, 0.0002220900000000 ] - [ -0.0003481800000000, 0.0005201800000000, 0.0006654000000000 ] - [ -0.0021505800000000, -0.0253061200000000, -0.0070265800000000 ] - [ -0.0000012600000000, -0.0003733900000000, 0.0000467700000000 ] - [ 0.0007381300000000, -0.0010114700000000, -0.0015618000000000 ] - [ 0.0003799600000000, 0.0007636000000000, -0.0008792400000000 ] - [ 0.0004029500000000, -0.0009860900000000, -0.0014933700000000 ] - [ 0.0002051000000000, 0.0001065500000000, -0.0001132700000000 ] - [ 0.0003093500000000, -0.0002149700000000, 0.0004463700000000 ] - [ -0.0005690800000000, -0.0014564900000000, 0.0010200300000000 ] - [ -0.0184285100000000, -0.0020918200000000, -0.0023488800000000 ] - [ -0.0000410200000000, -0.0004428500000000, 0.0001865400000000 ] - [ -0.0007154400000000, 0.0005357600000000, -0.0046086100000000 ] - [ -0.0131373100000000, 0.0486919600000000, 0.1274294100000000 ] - [ -0.0003154200000000, -0.0001252900000000, -0.0005508900000000 ] - [ -0.0003021000000000, -0.0001878600000000, 0.0001097600000000 ] - [ -0.0030346700000000, 0.0026955000000000, 0.0065259400000000 ] - [ 0.0002189200000000, -0.0001071600000000, 0.0005694400000000 ] - [ -0.0001648300000000, -0.0008410100000000, -0.0022248800000000 ] - [ 0.0001031000000000, -0.0000015400000000, -0.0006830400000000 ] - [ -0.0003259000000000, -0.0002921100000000, 0.0004162800000000 ] - [ 0.0004870000000000, 0.0000320300000000, 0.0015736500000000 ] - [ 0.0009894100000000, -0.0028640800000000, -0.0010482300000000 ] - [ 0.0007013800000000, 0.0005091400000000, -0.0000858800000000 ] - [ -0.0010792100000000, -0.0007590000000000, -0.0014900600000000 ] - [ -0.0001445700000000, 0.0002900500000000, 0.0008093800000000 ] - [ -0.0002339600000000, -0.0027066700000000, 0.0011325800000000 ] - [ -0.0003883000000000, 0.0009188500000000, -0.0001943100000000 ] - [ -0.0004074900000000, -0.0007174200000000, -0.0007278800000000 ] - [ -0.0013676800000000, 0.0021989100000000, -0.0001290800000000 ] - [ -0.0000841400000000, 0.0001893700000000, 0.0002984000000000 ] - [ -0.0002749700000000, 0.0006717800000000, -0.0012385700000000 ] - [ 0.0003133200000000, 0.0007299400000000, 0.0006375400000000 ] - [ -0.0137429600000000, -0.0194866800000000, -0.0030282300000000 ] - [ 0.0002202600000000, 0.0007861300000000, 0.0005847400000000 ] - [ 0.0005708200000000, 0.0014260300000000, 0.0024702100000000 ] - [ -0.0003713200000000, 0.0001770100000000, -0.0007409500000000 ] - [ -0.0004750300000000, 0.0010303000000000, -0.0014686100000000 ] - [ -0.0002913300000000, -0.0003004900000000, -0.0003144300000000 ] - [ -0.0001760000000000, -0.0000219000000000, -0.0010222300000000 ] - [ 0.0004655400000000, -0.0002594700000000, 0.0008673500000000 ] - [ 0.0142722700000000, 0.0127826800000000, -0.0033256600000000 ] - [ -0.0001553100000000, 0.0002646700000000, 0.0007542900000000 ] - [ -0.0031383700000000, -0.0009189800000000, 0.0005615300000000 ] - [ 0.0005090900000000, -0.0011662700000000, -0.0000818000000000 ] - [ -0.0004184600000000, 0.0006317800000000, -0.0007574700000000 ] - [ 0.0004525900000000, -0.0009431100000000, -0.0003649900000000 ] - [ 0.0011206100000000, 0.0015930300000000, -0.0008654800000000 ] - [ -0.0003693800000000, 0.0008348200000000, 0.0000448900000000 ] - [ -0.0004653400000000, 0.0001634800000000, -0.0008824400000000 ] - [ -0.0243284000000000, -0.0516648200000000, -0.0669812600000000 ] - [ 0.0008403800000000, 0.0003643300000000, -0.0000370800000000 ] - [ -0.0024710800000000, 0.0008843900000000, 0.0046621200000000 ] - [ -0.0009045500000000, 0.0002632200000000, 0.0014105300000000 ] - [ -0.0002960800000000, 0.0004912200000000, 0.0025454600000000 ] - [ -0.0008266400000000, 0.0005867600000000, 0.0001462400000000 ] - [ 0.0014875700000000, 0.0010508300000000, -0.0008032700000000 ] - [ 0.0013092200000000, 0.0007677700000000, -0.0019519200000000 ] - [ 0.0558611600000000, 0.0237475400000000, -0.0584260900000000 ] - [ 0.0002781200000000, -0.0004484700000000, -0.0012948900000000 ] - [ -0.0006465600000000, -0.0011525800000000, 0.0023426000000000 ] - [ -0.0002350000000000, 0.0005176600000000, 0.0002859200000000 ] - [ 0.0025984300000000, -0.0031142800000000, 0.0030167700000000 ] - [ -0.0003428800000000, 0.0008307200000000, 0.0012228600000000 ] - [ 0.0047244700000000, -0.0077024100000000, -0.0036374800000000 ] - [ 0.0001772500000000, 0.0008524200000000, -0.0025226000000000 ] - [ 0.0013098900000000, -0.0021659300000000, -0.0022710200000000 ] - [ 0.0023024800000000, 0.0008340900000000, 0.0007921300000000 ] - [ -0.0006772600000000, -0.0008932700000000, 0.0008835300000000 ] - [ -0.0031594500000000, 0.0079585800000000, 0.0041440300000000 ] - [ -0.0025458800000000, -0.0012009300000000, -0.0006451500000000 ] - [ -0.0047641400000000, 0.0041448700000000, 0.0026397800000000 ] - [ 0.0013284100000000, -0.0025967500000000, 0.0050060400000000 ] - [ -0.0007694400000000, 0.0009197200000000, 0.0002800800000000 ]- atom: 25 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001741400000000, -0.0001697700000000, 0.0002531400000000 ] - [ -0.0000690500000000, 0.0003776900000000, -0.0002918000000000 ] - [ -0.0006887300000000, 0.0027639300000000, -0.0033389200000000 ] - [ 0.0028340600000000, -0.0000013900000000, -0.0008793000000000 ] - [ 0.0028340600000000, 0.0000013900000000, -0.0008793000000000 ] - [ -0.0006887300000000, -0.0027639300000000, -0.0033389200000000 ] - [ -0.0000690500000000, -0.0003776900000000, -0.0002918000000000 ] - [ -0.0001741400000000, 0.0001697700000000, 0.0002531400000000 ] - [ -0.0003665900000000, 0.0006845500000000, 0.0004624200000000 ] - [ 0.0000569600000000, -0.0004578000000000, -0.0003792700000000 ] - [ 0.0031151700000000, 0.0030724200000000, -0.0012961800000000 ] - [ 0.0048716900000000, 0.0060710000000000, 0.0024680400000000 ] - [ 0.0048716900000000, -0.0060710000000000, 0.0024680400000000 ] - [ 0.0031151700000000, -0.0030724200000000, -0.0012961800000000 ] - [ 0.0000569600000000, 0.0004578000000000, -0.0003792700000000 ] - [ -0.0003665900000000, -0.0006845500000000, 0.0004624200000000 ] - [ 0.0000896800000000, 0.0003527500000000, 0.0003664600000000 ] - [ 0.0007349100000000, 0.0007322300000000, -0.0007500900000000 ] - [ -0.0021896300000000, 0.0011858100000000, 0.0006034200000000 ] - [ -0.0020109500000000, -0.0014970900000000, 0.0001237100000000 ] - [ 0.0018616700000000, 0.0014701100000000, -0.0001304200000000 ] - [ -0.0021896300000000, -0.0011858100000000, 0.0006034200000000 ] - [ 0.0007349100000000, -0.0007322300000000, -0.0007500900000000 ] - [ 0.0000896800000000, -0.0003527500000000, 0.0003664600000000 ] - [ -0.0767258600000000, 0.0000000000000000, -0.0942569900000000 ] - [ 0.0010807900000000, 0.0000000000000000, -0.0000771500000000 ] - [ 0.0002461300000000, 0.0000000000000000, -0.0001912700000000 ] - [ 0.0001210200000000, 0.0000000000000000, 0.0001618200000000 ] - [ 0.0042718900000000, 0.0000000000000000, 0.0232041900000000 ] - [ 0.0012627100000000, 0.0000000000000000, 0.0007957400000000 ] - [ 0.0000773700000000, 0.0000000000000000, -0.0005129500000000 ] - [ 0.0000874800000000, 0.0000000000000000, 0.0004105900000000 ] - [ -0.0057173100000000, 0.0074114800000000, -0.0128055500000000 ] - [ 0.0006329700000000, -0.0004642000000000, 0.0008247400000000 ] - [ 0.0002136900000000, -0.0002116100000000, -0.0003759300000000 ] - [ -0.0003197100000000, 0.0002753300000000, 0.0004183400000000 ] - [ -0.0003197100000000, -0.0002753300000000, 0.0004183400000000 ] - [ 0.0002136900000000, 0.0002116100000000, -0.0003759300000000 ] - [ 0.0006329700000000, 0.0004642000000000, 0.0008247400000000 ] - [ -0.0057173100000000, -0.0074114800000000, -0.0128055500000000 ] - [ -0.0004357700000000, 0.0003386900000000, -0.0011331600000000 ] - [ 0.0014215600000000, 0.0009842400000000, 0.0012879700000000 ] - [ 0.0000500400000000, 0.0000773200000000, -0.0004336300000000 ] - [ -0.0007163900000000, -0.0000909600000000, 0.0004479300000000 ] - [ -0.0007163900000000, 0.0000909600000000, 0.0004479300000000 ] - [ 0.0000500400000000, -0.0000773200000000, -0.0004336300000000 ] - [ 0.0014215600000000, -0.0009842400000000, 0.0012879700000000 ] - [ -0.0004357700000000, -0.0003386900000000, -0.0011331600000000 ] - [ -0.0020109500000000, 0.0014970900000000, 0.0001237100000000 ] - [ 0.0002922100000000, -0.0003849700000000, 0.0001405600000000 ] - [ 0.0012320500000000, -0.0023530900000000, -0.0003677600000000 ] - [ -0.0003533600000000, -0.0002690600000000, -0.0004474100000000 ] - [ -0.0003533600000000, 0.0002690600000000, -0.0004474100000000 ] - [ 0.0012320500000000, 0.0023530900000000, -0.0003677600000000 ] - [ 0.0002922100000000, 0.0003849700000000, 0.0001405600000000 ] - [ 0.0018616700000000, -0.0014701100000000, -0.0001304200000000 ] - [ 0.0012053900000000, -0.0004486600000000, -0.0006342500000000 ] - [ 0.0000092500000000, -0.0001109800000000, 0.0010640800000000 ] - [ 0.0015855800000000, -0.0058846200000000, 0.0023091300000000 ] - [ -0.0056661900000000, -0.0048984900000000, 0.0025569200000000 ] - [ -0.0056661900000000, 0.0048984900000000, 0.0025569200000000 ] - [ 0.0015855800000000, 0.0058846200000000, 0.0023091300000000 ] - [ 0.0000092500000000, 0.0001109800000000, 0.0010640800000000 ] - [ 0.0012053900000000, 0.0004486600000000, -0.0006342500000000 ] - [ 0.0028297600000000, 0.0015774200000000, 0.0013384600000000 ] - [ -0.0007605500000000, 0.0007892700000000, -0.0020339700000000 ] - [ -0.0024572100000000, -0.0004140300000000, 0.0006075600000000 ] - [ 0.0019334900000000, 0.0000568100000000, -0.0006564500000000 ] - [ 0.0019334900000000, -0.0000568100000000, -0.0006564500000000 ] - [ -0.0024572100000000, 0.0004140300000000, 0.0006075600000000 ] - [ -0.0007605500000000, -0.0007892700000000, -0.0020339700000000 ] - [ 0.0028297600000000, -0.0015774200000000, 0.0013384600000000 ] - [ 0.0003291700000000, 0.0000000000000000, -0.0002073600000000 ] - [ 0.0000695800000000, 0.0000000000000000, 0.0003245300000000 ] - [ -0.0026653800000000, 0.0000000000000000, -0.0008056400000000 ] - [ 0.0707593600000000, 0.0000000000000000, 0.0950215700000000 ] - [ -0.0012119700000000, 0.0000000000000000, -0.0002522500000000 ] - [ -0.0004656900000000, 0.0000000000000000, 0.0001174900000000 ] - [ 0.0068898900000000, 0.0000000000000000, -0.0045046200000000 ] - [ -0.0102156700000000, 0.0000000000000000, 0.0021346900000000 ]- atom: 25 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001199100000000, -0.0003740900000000, 0.0002410600000000 ] - [ -0.0002197400000000, 0.0001670200000000, -0.0002046000000000 ] - [ 0.0009682400000000, -0.0022065800000000, 0.0038057900000000 ] - [ -0.0025518600000000, -0.0005509900000000, 0.0003901800000000 ] - [ -0.0025518600000000, 0.0005509900000000, 0.0003901800000000 ] - [ 0.0009682400000000, 0.0022065800000000, 0.0038057900000000 ] - [ -0.0002197400000000, -0.0001670200000000, -0.0002046000000000 ] - [ -0.0001199100000000, 0.0003740900000000, 0.0002410600000000 ] - [ -0.0000146400000000, 0.0003589100000000, 0.0003110100000000 ] - [ -0.0004304100000000, -0.0005855600000000, -0.0003935800000000 ] - [ -0.0026867500000000, -0.0040687400000000, 0.0020701600000000 ] - [ -0.0045270900000000, -0.0050876100000000, -0.0032971600000000 ] - [ -0.0045270900000000, 0.0050876100000000, -0.0032971600000000 ] - [ -0.0026867500000000, 0.0040687400000000, 0.0020701600000000 ] - [ -0.0004304100000000, 0.0005855600000000, -0.0003935800000000 ] - [ -0.0000146400000000, -0.0003589100000000, 0.0003110100000000 ] - [ 0.0003840500000000, -0.0003085200000000, 0.0003335900000000 ] - [ -0.0002416300000000, -0.0007545500000000, 0.0000374300000000 ] - [ 0.0017050700000000, -0.0012288300000000, 0.0001032200000000 ] - [ 0.0011414200000000, -0.0002961700000000, 0.0001643900000000 ] - [ -0.0023451800000000, -0.0014356300000000, -0.0005753700000000 ] - [ 0.0017050700000000, 0.0012288300000000, 0.0001032200000000 ] - [ -0.0002416300000000, 0.0007545500000000, 0.0000374300000000 ] - [ 0.0003840500000000, 0.0003085200000000, 0.0003335900000000 ] - [ 0.0773411900000000, 0.0000000000000000, 0.0948508300000000 ] - [ -0.0014481500000000, 0.0000000000000000, 0.0004628000000000 ] - [ 0.0001207600000000, 0.0000000000000000, -0.0002030900000000 ] - [ 0.0002465200000000, 0.0000000000000000, 0.0002295400000000 ] - [ -0.0042299300000000, 0.0000000000000000, -0.0237249700000000 ] - [ -0.0013953600000000, 0.0000000000000000, 0.0001377900000000 ] - [ 0.0000525500000000, 0.0000000000000000, -0.0004288600000000 ] - [ 0.0000477700000000, 0.0000000000000000, 0.0005315900000000 ] - [ 0.0058341000000000, -0.0068140100000000, 0.0118640900000000 ] - [ -0.0005135100000000, -0.0000715400000000, -0.0000118300000000 ] - [ -0.0003341300000000, -0.0003314500000000, -0.0004442000000000 ] - [ 0.0001994000000000, 0.0002672900000000, 0.0004030200000000 ] - [ 0.0001994000000000, -0.0002672900000000, 0.0004030200000000 ] - [ -0.0003341300000000, 0.0003314500000000, -0.0004442000000000 ] - [ -0.0005135100000000, 0.0000715400000000, -0.0000118300000000 ] - [ 0.0058341000000000, 0.0068140100000000, 0.0118640900000000 ] - [ 0.0010936500000000, -0.0004883600000000, 0.0002836900000000 ] - [ -0.0007592300000000, -0.0008342900000000, -0.0004626200000000 ] - [ -0.0007126800000000, 0.0000660400000000, -0.0003872300000000 ] - [ 0.0000542000000000, -0.0000546100000000, 0.0003752400000000 ] - [ 0.0000542000000000, 0.0000546100000000, 0.0003752400000000 ] - [ -0.0007126800000000, -0.0000660400000000, -0.0003872300000000 ] - [ -0.0007592300000000, 0.0008342900000000, -0.0004626200000000 ] - [ 0.0010936500000000, 0.0004883600000000, 0.0002836900000000 ] - [ 0.0011414200000000, 0.0002961700000000, 0.0001643900000000 ] - [ -0.0011395800000000, -0.0013912100000000, -0.0004364200000000 ] - [ -0.0003823800000000, 0.0005680400000000, 0.0006574800000000 ] - [ 0.0012142900000000, 0.0020574000000000, 0.0001572600000000 ] - [ 0.0012142900000000, -0.0020574000000000, 0.0001572600000000 ] - [ -0.0003823800000000, -0.0005680400000000, 0.0006574800000000 ] - [ -0.0011395800000000, 0.0013912100000000, -0.0004364200000000 ] - [ -0.0023451800000000, 0.0014356300000000, -0.0005753700000000 ] - [ 0.0005540200000000, 0.0004764600000000, -0.0007963400000000 ] - [ 0.0017229200000000, 0.0000864200000000, 0.0003818600000000 ] - [ -0.0033046600000000, 0.0058533200000000, -0.0037253700000000 ] - [ 0.0039205800000000, 0.0049438100000000, -0.0011250100000000 ] - [ 0.0039205800000000, -0.0049438100000000, -0.0011250100000000 ] - [ -0.0033046600000000, -0.0058533200000000, -0.0037253700000000 ] - [ 0.0017229200000000, -0.0000864200000000, 0.0003818600000000 ] - [ 0.0005540200000000, -0.0004764600000000, -0.0007963400000000 ] - [ -0.0021149600000000, -0.0007577000000000, -0.0001989800000000 ] - [ 0.0014312700000000, -0.0015294400000000, 0.0009705600000000 ] - [ 0.0017847100000000, -0.0003460800000000, 0.0004586900000000 ] - [ -0.0026163700000000, 0.0006935700000000, -0.0004104500000000 ] - [ -0.0026163700000000, -0.0006935700000000, -0.0004104500000000 ] - [ 0.0017847100000000, 0.0003460800000000, 0.0004586900000000 ] - [ 0.0014312700000000, 0.0015294400000000, 0.0009705600000000 ] - [ -0.0021149600000000, 0.0007577000000000, -0.0001989800000000 ] - [ 0.0001188400000000, 0.0000000000000000, -0.0004024100000000 ] - [ 0.0003820400000000, 0.0000000000000000, 0.0002857400000000 ] - [ 0.0022196600000000, 0.0000000000000000, 0.0002111600000000 ] - [ -0.0724501400000000, 0.0000000000000000, -0.0955287900000000 ] - [ -0.0004899000000000, 0.0000000000000000, -0.0001835700000000 ] - [ -0.0012329100000000, 0.0000000000000000, 0.0003162700000000 ] - [ -0.0051753800000000, 0.0000000000000000, 0.0040862700000000 ] - [ 0.0119060300000000, 0.0000000000000000, -0.0017193300000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004127800000000, 0.0006671800000000, 0.0001397400000000 ] - [ -0.0001999100000000, 0.0011880100000000, -0.0005769800000000 ] - [ 0.0032241900000000, 0.0022709300000000, -0.0050164200000000 ] - [ 0.0014317800000000, -0.0010871800000000, -0.0006799600000000 ] - [ -0.0011410800000000, -0.0005550500000000, 0.0002080400000000 ] - [ -0.0029009300000000, 0.0017159300000000, 0.0054184000000000 ] - [ -0.0000938900000000, 0.0006439100000000, 0.0000956600000000 ] - [ -0.0007072700000000, 0.0012109100000000, 0.0003418300000000 ] - [ -0.0003469000000000, 0.0016020500000000, 0.0008256700000000 ] - [ 0.0003871700000000, 0.0003472600000000, -0.0001384400000000 ] - [ 0.0040566600000000, -0.0005662800000000, 0.0007390100000000 ] - [ 0.0049509000000000, 0.0027059500000000, 0.0027443400000000 ] - [ -0.0046216900000000, 0.0016800800000000, -0.0035691300000000 ] - [ -0.0036287600000000, 0.0004759700000000, 0.0000507200000000 ] - [ -0.0007630500000000, 0.0013833900000000, -0.0006384300000000 ] - [ -0.0000316600000000, 0.0005655900000000, -0.0000493300000000 ] - [ 0.0006880700000000, -0.0000568600000000, 0.0003929300000000 ] - [ 0.0018776300000000, 0.0024788000000000, -0.0014906400000000 ] - [ -0.0006722900000000, 0.0048213400000000, -0.0005276900000000 ] - [ 0.0014488800000000, 0.0010766200000000, 0.0009924500000000 ] - [ 0.0007164100000000, 0.0011097900000000, -0.0002631600000000 ] - [ 0.0001956000000000, 0.0047640700000000, 0.0012134400000000 ] - [ -0.0013902300000000, 0.0025073800000000, 0.0007903500000000 ] - [ -0.0002060000000000, -0.0000864300000000, 0.0003000500000000 ] - [ 0.0001212900000000, -0.0590555600000000, 0.0010023600000000 ] - [ -0.0001853500000000, -0.0012632100000000, 0.0001924300000000 ] - [ 0.0001861900000000, 0.0006583500000000, -0.0001938500000000 ] - [ 0.0001859600000000, 0.0009383900000000, 0.0001929900000000 ] - [ -0.0000497100000000, -0.0107540500000000, -0.0004811400000000 ] - [ -0.0000682000000000, -0.0010329000000000, 0.0004565800000000 ] - [ 0.0000668400000000, 0.0007762900000000, -0.0004597500000000 ] - [ 0.0000675700000000, 0.0009127900000000, 0.0004598300000000 ] - [ 0.0018461400000000, 0.0079372100000000, -0.0257392200000000 ] - [ 0.0004953500000000, -0.0013481900000000, 0.0008477700000000 ] - [ 0.0001475800000000, 0.0012046900000000, 0.0004531100000000 ] - [ -0.0007278800000000, 0.0026206300000000, 0.0017065100000000 ] - [ 0.0005999900000000, 0.0020717000000000, -0.0008903200000000 ] - [ -0.0002678800000000, 0.0017467400000000, -0.0012619300000000 ] - [ -0.0003733900000000, -0.0008088700000000, -0.0000475000000000 ] - [ -0.0018309000000000, 0.0073970200000000, 0.0251285200000000 ] - [ -0.0000879900000000, -0.0006281400000000, -0.0040696500000000 ] - [ 0.0001219100000000, -0.0005781900000000, 0.0002527900000000 ] - [ -0.0005127600000000, 0.0011280800000000, -0.0009190600000000 ] - [ -0.0006632100000000, 0.0016048000000000, -0.0005077600000000 ] - [ -0.0000049500000000, 0.0017535900000000, 0.0013391100000000 ] - [ -0.0001482400000000, 0.0009733500000000, 0.0000807000000000 ] - [ 0.0005342500000000, -0.0007277500000000, 0.0005793700000000 ] - [ 0.0007548000000000, -0.0004742200000000, 0.0032343600000000 ] - [ -0.0023150600000000, 0.0028712800000000, -0.0006942900000000 ] - [ -0.0009454600000000, -0.0010483600000000, -0.0001539800000000 ] - [ -0.0009159500000000, 0.0007670400000000, 0.0004407100000000 ] - [ 0.0000900000000000, 0.0017429500000000, -0.0001834500000000 ] - [ 0.0007619600000000, -0.0000334800000000, -0.0001189600000000 ] - [ 0.0017808000000000, 0.0025501100000000, -0.0001400300000000 ] - [ 0.0000841500000000, 0.0007356300000000, -0.0001518900000000 ] - [ -0.0011963400000000, 0.0010750100000000, -0.0004334300000000 ] - [ -0.0002607200000000, -0.0021580900000000, -0.0014600100000000 ] - [ -0.0010137600000000, -0.0018257200000000, 0.0017048500000000 ] - [ -0.0067616700000000, -0.0047565700000000, 0.0020103000000000 ] - [ -0.0048623000000000, -0.0016554700000000, 0.0018035900000000 ] - [ 0.0031228900000000, -0.0016587200000000, -0.0003775100000000 ] - [ 0.0049583700000000, -0.0047206700000000, -0.0034059300000000 ] - [ 0.0027596200000000, -0.0018037900000000, -0.0002689400000000 ] - [ 0.0020129300000000, -0.0021862400000000, 0.0000290300000000 ] - [ -0.0030313300000000, -0.0065081900000000, -0.0053300300000000 ] - [ 0.0002116600000000, 0.0007297700000000, -0.0005558300000000 ] - [ -0.0012875000000000, -0.0029732000000000, 0.0008207200000000 ] - [ -0.0025532800000000, -0.0051441100000000, -0.0005540400000000 ] - [ 0.0019149400000000, -0.0059126600000000, -0.0005062600000000 ] - [ 0.0006101500000000, -0.0022243400000000, 0.0002396400000000 ] - [ 0.0004634500000000, 0.0014838900000000, -0.0004895400000000 ] - [ 0.0036965600000000, -0.0072885500000000, 0.0064307400000000 ] - [ 0.0002310500000000, -0.0037458700000000, -0.0003117600000000 ] - [ 0.0002280900000000, -0.0024863500000000, 0.0003093100000000 ] - [ -0.0002262400000000, 0.0027176300000000, -0.0003048600000000 ] - [ -0.0004797500000000, 0.0462647600000000, -0.0009923700000000 ] - [ -0.0008516500000000, -0.0027151500000000, -0.0002241100000000 ] - [ -0.0008525800000000, -0.0032191300000000, 0.0002251400000000 ] - [ 0.0008634100000000, 0.0111239800000000, -0.0002181100000000 ] - [ 0.0008697200000000, 0.0060867100000000, 0.0002025900000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0005029700000000, 0.0005747200000000, -0.0000701100000000 ] - [ -0.0002658800000000, -0.0004167200000000, 0.0007380700000000 ] - [ -0.0072975600000000, -0.0096353500000000, 0.0060975600000000 ] - [ 0.0013075900000000, -0.0010036000000000, -0.0027471900000000 ] - [ 0.0013075900000000, 0.0010036000000000, -0.0027471900000000 ] - [ -0.0072975600000000, 0.0096353500000000, 0.0060975600000000 ] - [ -0.0002658800000000, 0.0004167200000000, 0.0007380700000000 ] - [ 0.0005029700000000, -0.0005747200000000, -0.0000701100000000 ] - [ -0.0002436000000000, 0.0015319800000000, 0.0014088400000000 ] - [ -0.0008085300000000, -0.0011259200000000, -0.0005505800000000 ] - [ -0.0025257700000000, -0.0002382800000000, -0.0034775300000000 ] - [ 0.0079400200000000, 0.0078116000000000, -0.0000277900000000 ] - [ 0.0079400200000000, -0.0078116000000000, -0.0000277900000000 ] - [ -0.0025257700000000, 0.0002382800000000, -0.0034775300000000 ] - [ -0.0008085300000000, 0.0011259200000000, -0.0005505800000000 ] - [ -0.0002436000000000, -0.0015319800000000, 0.0014088400000000 ] - [ 0.0009211200000000, 0.0000121200000000, 0.0012503900000000 ] - [ -0.0029367000000000, -0.0043559600000000, 0.0021393600000000 ] - [ 0.0007241900000000, -0.0027198900000000, -0.0013167200000000 ] - [ 0.0027892900000000, 0.0034948900000000, 0.0021747300000000 ] - [ 0.0011574800000000, 0.0013516300000000, -0.0007265300000000 ] - [ 0.0007241900000000, 0.0027198900000000, -0.0013167200000000 ] - [ -0.0029367000000000, 0.0043559600000000, 0.0021393600000000 ] - [ 0.0009211200000000, -0.0000121200000000, 0.0012503900000000 ] - [ -0.0981402100000000, 0.0000000000000000, -0.5791742500000000 ] - [ 0.0000779800000000, 0.0000000000000000, 0.0004751000000000 ] - [ 0.0001793000000000, 0.0000000000000000, 0.0005265600000000 ] - [ 0.0001517800000000, 0.0000000000000000, -0.0004327500000000 ] - [ 0.0107015600000000, 0.0000000000000000, 0.0118578600000000 ] - [ 0.0023863300000000, 0.0000000000000000, 0.0019832200000000 ] - [ 0.0003346800000000, 0.0000000000000000, 0.0000483800000000 ] - [ 0.0002205700000000, 0.0000000000000000, 0.0000012900000000 ] - [ -0.0014404400000000, -0.0213417000000000, 0.0317521700000000 ] - [ 0.0004390100000000, -0.0013367100000000, 0.0020729600000000 ] - [ -0.0000637900000000, 0.0004333100000000, 0.0002919600000000 ] - [ 0.0001104600000000, -0.0004625500000000, -0.0005601900000000 ] - [ 0.0001104600000000, 0.0004625500000000, -0.0005601900000000 ] - [ -0.0000637900000000, -0.0004333100000000, 0.0002919600000000 ] - [ 0.0004390100000000, 0.0013367100000000, 0.0020729600000000 ] - [ -0.0014404400000000, 0.0213417000000000, 0.0317521700000000 ] - [ 0.0003032000000000, 0.0014215400000000, 0.0081953700000000 ] - [ 0.0012391800000000, 0.0008860100000000, 0.0014835200000000 ] - [ -0.0005082500000000, 0.0008114200000000, -0.0012453200000000 ] - [ -0.0001868500000000, -0.0007519800000000, 0.0007470700000000 ] - [ -0.0001868500000000, 0.0007519800000000, 0.0007470700000000 ] - [ -0.0005082500000000, -0.0008114200000000, -0.0012453200000000 ] - [ 0.0012391800000000, -0.0008860100000000, 0.0014835200000000 ] - [ 0.0003032000000000, -0.0014215400000000, 0.0081953700000000 ] - [ 0.0027892900000000, -0.0034948900000000, 0.0021747300000000 ] - [ -0.0009130400000000, -0.0010541900000000, 0.0007293000000000 ] - [ -0.0011974700000000, 0.0010191000000000, -0.0004608400000000 ] - [ 0.0002414700000000, -0.0003727500000000, -0.0015192000000000 ] - [ 0.0002414700000000, 0.0003727500000000, -0.0015192000000000 ] - [ -0.0011974700000000, -0.0010191000000000, -0.0004608400000000 ] - [ -0.0009130400000000, 0.0010541900000000, 0.0007293000000000 ] - [ 0.0011574800000000, -0.0013516300000000, -0.0007265300000000 ] - [ -0.0012949000000000, -0.0033245100000000, -0.0024625700000000 ] - [ 0.0038635600000000, 0.0019199100000000, -0.0014700100000000 ] - [ 0.0067470200000000, 0.0091879800000000, 0.0063666600000000 ] - [ -0.0060449100000000, -0.0037765500000000, 0.0077855000000000 ] - [ -0.0060449100000000, 0.0037765500000000, 0.0077855000000000 ] - [ 0.0067470200000000, -0.0091879800000000, 0.0063666600000000 ] - [ 0.0038635600000000, -0.0019199100000000, -0.0014700100000000 ] - [ -0.0012949000000000, 0.0033245100000000, -0.0024625700000000 ] - [ -0.0034886200000000, -0.0130637400000000, -0.0148073100000000 ] - [ 0.0002199900000000, -0.0007262900000000, -0.0040331000000000 ] - [ 0.0004957700000000, 0.0014154200000000, 0.0005194700000000 ] - [ -0.0010482400000000, -0.0022667700000000, 0.0006958000000000 ] - [ -0.0010482400000000, 0.0022667700000000, 0.0006958000000000 ] - [ 0.0004957700000000, -0.0014154200000000, 0.0005194700000000 ] - [ 0.0002199900000000, 0.0007262900000000, -0.0040331000000000 ] - [ -0.0034886200000000, 0.0130637400000000, -0.0148073100000000 ] - [ -0.0000859300000000, 0.0000000000000000, 0.0012064100000000 ] - [ -0.0002646900000000, 0.0000000000000000, -0.0011480100000000 ] - [ -0.0023259000000000, 0.0000000000000000, -0.0025014300000000 ] - [ 0.0994466700000000, 0.0000000000000000, 0.4942709600000000 ] - [ -0.0010246800000000, 0.0000000000000000, 0.0011657800000000 ] - [ -0.0010196300000000, 0.0000000000000000, -0.0013877200000000 ] - [ -0.0025848100000000, 0.0000000000000000, -0.0125107200000000 ] - [ -0.0055285800000000, 0.0000000000000000, 0.0076718200000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0007940100000000, -0.0011116200000000, 0.0005447300000000 ] - [ -0.0000251300000000, 0.0009507200000000, -0.0012137100000000 ] - [ 0.0077243000000000, 0.0103379800000000, -0.0056900900000000 ] - [ -0.0010214500000000, 0.0004817200000000, 0.0022900500000000 ] - [ -0.0010214500000000, -0.0004817200000000, 0.0022900500000000 ] - [ 0.0077243000000000, -0.0103379800000000, -0.0056900900000000 ] - [ -0.0000251300000000, -0.0009507200000000, -0.0012137100000000 ] - [ -0.0007940100000000, 0.0011116200000000, 0.0005447300000000 ] - [ -0.0001377600000000, -0.0004872500000000, -0.0006291900000000 ] - [ 0.0004265100000000, 0.0000821600000000, -0.0002311100000000 ] - [ 0.0028612500000000, -0.0008465400000000, 0.0042997300000000 ] - [ -0.0076577900000000, -0.0068746200000000, -0.0007216900000000 ] - [ -0.0076577900000000, 0.0068746200000000, -0.0007216900000000 ] - [ 0.0028612500000000, 0.0008465400000000, 0.0042997300000000 ] - [ 0.0004265100000000, -0.0000821600000000, -0.0002311100000000 ] - [ -0.0001377600000000, 0.0004872500000000, -0.0006291900000000 ] - [ -0.0004410300000000, 0.0000234500000000, -0.0005554800000000 ] - [ 0.0034007200000000, 0.0042927900000000, -0.0028353200000000 ] - [ -0.0011962800000000, 0.0026480900000000, 0.0020381100000000 ] - [ -0.0036290700000000, -0.0052671800000000, -0.0018827600000000 ] - [ -0.0016528500000000, -0.0013240800000000, 0.0000338300000000 ] - [ -0.0011962800000000, -0.0026480900000000, 0.0020381100000000 ] - [ 0.0034007200000000, -0.0042927900000000, -0.0028353200000000 ] - [ -0.0004410300000000, -0.0000234500000000, -0.0005554800000000 ] - [ 0.0911397200000000, 0.0000000000000000, 0.5491006100000000 ] - [ -0.0004623400000000, 0.0000000000000000, -0.0000651700000000 ] - [ 0.0001916100000000, 0.0000000000000000, -0.0009173900000000 ] - [ 0.0002207500000000, 0.0000000000000000, 0.0008159700000000 ] - [ -0.0107468800000000, 0.0000000000000000, -0.0127928900000000 ] - [ -0.0025613900000000, 0.0000000000000000, -0.0010647000000000 ] - [ -0.0002082900000000, 0.0000000000000000, -0.0009674400000000 ] - [ -0.0000867400000000, 0.0000000000000000, 0.0009169400000000 ] - [ 0.0015178100000000, 0.0216340500000000, -0.0321911800000000 ] - [ -0.0003256000000000, 0.0008011300000000, -0.0012716500000000 ] - [ -0.0000557500000000, -0.0009765600000000, -0.0010999200000000 ] - [ -0.0002274600000000, 0.0010018400000000, 0.0013634100000000 ] - [ -0.0002274600000000, -0.0010018400000000, 0.0013634100000000 ] - [ -0.0000557500000000, 0.0009765600000000, -0.0010999200000000 ] - [ -0.0003256000000000, -0.0008011300000000, -0.0012716500000000 ] - [ 0.0015178100000000, -0.0216340500000000, -0.0321911800000000 ] - [ 0.0003731500000000, -0.0015976900000000, -0.0090580200000000 ] - [ -0.0005819800000000, -0.0007486800000000, -0.0006677800000000 ] - [ -0.0001554700000000, -0.0006685400000000, 0.0004170200000000 ] - [ -0.0004731400000000, 0.0006027300000000, 0.0000918100000000 ] - [ -0.0004731400000000, -0.0006027300000000, 0.0000918100000000 ] - [ -0.0001554700000000, 0.0006685400000000, 0.0004170200000000 ] - [ -0.0005819800000000, 0.0007486800000000, -0.0006677800000000 ] - [ 0.0003731500000000, 0.0015976900000000, -0.0090580200000000 ] - [ -0.0036290700000000, 0.0052671800000000, -0.0018827600000000 ] - [ 0.0000524800000000, -0.0007286800000000, -0.0010332400000000 ] - [ 0.0020579200000000, -0.0028035500000000, 0.0007781400000000 ] - [ 0.0006230300000000, 0.0021645400000000, 0.0012297100000000 ] - [ 0.0006230300000000, -0.0021645400000000, 0.0012297100000000 ] - [ 0.0020579200000000, 0.0028035500000000, 0.0007781400000000 ] - [ 0.0000524800000000, 0.0007286800000000, -0.0010332400000000 ] - [ -0.0016528500000000, 0.0013240800000000, 0.0000338300000000 ] - [ 0.0030405800000000, 0.0033365600000000, 0.0010331700000000 ] - [ -0.0021025300000000, -0.0019260500000000, 0.0029009300000000 ] - [ -0.0085098500000000, -0.0091648400000000, -0.0079796600000000 ] - [ 0.0043155300000000, 0.0037904200000000, -0.0064371500000000 ] - [ 0.0043155300000000, -0.0037904200000000, -0.0064371500000000 ] - [ -0.0085098500000000, 0.0091648400000000, -0.0079796600000000 ] - [ -0.0021025300000000, 0.0019260500000000, 0.0029009300000000 ] - [ 0.0030405800000000, -0.0033365600000000, 0.0010331700000000 ] - [ 0.0041267300000000, 0.0138163800000000, 0.0159035700000000 ] - [ 0.0004577100000000, -0.0000230800000000, 0.0029957300000000 ] - [ -0.0011609900000000, -0.0021548700000000, 0.0005353600000000 ] - [ 0.0003445800000000, 0.0029881300000000, -0.0017613900000000 ] - [ 0.0003445800000000, -0.0029881300000000, -0.0017613900000000 ] - [ -0.0011609900000000, 0.0021548700000000, 0.0005353600000000 ] - [ 0.0004577100000000, 0.0000230800000000, 0.0029957300000000 ] - [ 0.0041267300000000, -0.0138163800000000, 0.0159035700000000 ] - [ 0.0005351700000000, 0.0000000000000000, -0.0018126500000000 ] - [ 0.0007214500000000, 0.0000000000000000, 0.0017588600000000 ] - [ 0.0019070700000000, 0.0000000000000000, 0.0018672900000000 ] - [ -0.0930206500000000, 0.0000000000000000, -0.4635498800000000 ] - [ -0.0006794500000000, 0.0000000000000000, -0.0016034900000000 ] - [ -0.0006864700000000, 0.0000000000000000, 0.0018207000000000 ] - [ 0.0040903500000000, 0.0000000000000000, 0.0113212700000000 ] - [ 0.0072978200000000, 0.0000000000000000, -0.0072199500000000 ]- atom: 29 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0008331000000000, -0.0004280100000000, 0.0003252300000000 ] - [ 0.0005620800000000, 0.0006686000000000, -0.0009561200000000 ] - [ -0.0028590100000000, -0.0009480600000000, -0.0008768500000000 ] - [ 0.0058048900000000, -0.0048260400000000, -0.0021046100000000 ] - [ 0.0058048900000000, 0.0048260400000000, -0.0021046100000000 ] - [ -0.0028590100000000, 0.0009480600000000, -0.0008768500000000 ] - [ 0.0005620800000000, -0.0006686000000000, -0.0009561200000000 ] - [ -0.0008331000000000, 0.0004280100000000, 0.0003252300000000 ] - [ -0.0008212300000000, 0.0002439500000000, 0.0001470000000000 ] - [ 0.0008769300000000, -0.0003738300000000, -0.0003412800000000 ] - [ -0.0031286900000000, 0.0074972700000000, -0.0095472300000000 ] - [ 0.0024882100000000, 0.0017286600000000, -0.0010026700000000 ] - [ 0.0024882100000000, -0.0017286600000000, -0.0010026700000000 ] - [ -0.0031286900000000, -0.0074972700000000, -0.0095472300000000 ] - [ 0.0008769300000000, 0.0003738300000000, -0.0003412800000000 ] - [ -0.0008212300000000, -0.0002439500000000, 0.0001470000000000 ] - [ -0.0017788700000000, 0.0020560600000000, 0.0004092600000000 ] - [ 0.0038004800000000, 0.0054733800000000, -0.0033046100000000 ] - [ -0.0023407600000000, 0.0006390200000000, 0.0009101900000000 ] - [ -0.0059227900000000, -0.0043064500000000, -0.0009170600000000 ] - [ 0.0005981600000000, -0.0001243400000000, -0.0005706300000000 ] - [ -0.0023407600000000, -0.0006390200000000, 0.0009101900000000 ] - [ 0.0038004800000000, -0.0054733800000000, -0.0033046100000000 ] - [ -0.0017788700000000, -0.0020560600000000, 0.0004092600000000 ] - [ 0.0041345200000000, 0.0000000000000000, 0.0105438900000000 ] - [ 0.0011468200000000, 0.0000000000000000, -0.0022959100000000 ] - [ 0.0001949000000000, 0.0000000000000000, -0.0004658800000000 ] - [ 0.0002055600000000, 0.0000000000000000, 0.0003476300000000 ] - [ -0.4642273100000000, 0.0000000000000000, -0.1418710600000000 ] - [ 0.0023914200000000, 0.0000000000000000, -0.0000731900000000 ] - [ -0.0002807700000000, 0.0000000000000000, -0.0006783100000000 ] - [ 0.0003352400000000, 0.0000000000000000, 0.0005855600000000 ] - [ 0.0230420100000000, 0.0220509100000000, -0.0071711700000000 ] - [ 0.0006486700000000, 0.0000196700000000, 0.0013259300000000 ] - [ 0.0000145500000000, -0.0006438400000000, -0.0006903000000000 ] - [ -0.0000487900000000, 0.0003265400000000, 0.0006998100000000 ] - [ -0.0000487900000000, -0.0003265400000000, 0.0006998100000000 ] - [ 0.0000145500000000, 0.0006438400000000, -0.0006903000000000 ] - [ 0.0006486700000000, -0.0000196700000000, 0.0013259300000000 ] - [ 0.0230420100000000, -0.0220509100000000, -0.0071711700000000 ] - [ -0.0005564900000000, 0.0010248600000000, -0.0046534700000000 ] - [ 0.0055201000000000, 0.0057710000000000, 0.0063212200000000 ] - [ -0.0001544400000000, -0.0003097500000000, -0.0002034100000000 ] - [ -0.0003810600000000, -0.0000099000000000, 0.0003535900000000 ] - [ -0.0003810600000000, 0.0000099000000000, 0.0003535900000000 ] - [ -0.0001544400000000, 0.0003097500000000, -0.0002034100000000 ] - [ 0.0055201000000000, -0.0057710000000000, 0.0063212200000000 ] - [ -0.0005564900000000, -0.0010248600000000, -0.0046534700000000 ] - [ -0.0059227900000000, 0.0043064500000000, -0.0009170600000000 ] - [ 0.0025430600000000, 0.0017200100000000, 0.0006243800000000 ] - [ 0.0002903400000000, -0.0028262600000000, -0.0009950200000000 ] - [ 0.0014703300000000, 0.0015189700000000, 0.0000583200000000 ] - [ 0.0014703300000000, -0.0015189700000000, 0.0000583200000000 ] - [ 0.0002903400000000, 0.0028262600000000, -0.0009950200000000 ] - [ 0.0025430600000000, -0.0017200100000000, 0.0006243800000000 ] - [ 0.0005981600000000, 0.0001243400000000, -0.0005706300000000 ] - [ 0.0044710400000000, 0.0005529400000000, 0.0006817700000000 ] - [ -0.0045665400000000, -0.0005788300000000, 0.0033900600000000 ] - [ 0.0082098900000000, -0.0022308200000000, 0.0037422000000000 ] - [ -0.0058801700000000, 0.0004984900000000, 0.0027802600000000 ] - [ -0.0058801700000000, -0.0004984900000000, 0.0027802600000000 ] - [ 0.0082098900000000, 0.0022308200000000, 0.0037422000000000 ] - [ -0.0045665400000000, 0.0005788300000000, 0.0033900600000000 ] - [ 0.0044710400000000, -0.0005529400000000, 0.0006817700000000 ] - [ 0.0090356600000000, 0.0180437900000000, 0.0189766200000000 ] - [ -0.0011577700000000, 0.0052682100000000, -0.0069849400000000 ] - [ -0.0014868400000000, -0.0018240900000000, 0.0006438900000000 ] - [ -0.0001842600000000, -0.0000413700000000, -0.0012198600000000 ] - [ -0.0001842600000000, 0.0000413700000000, -0.0012198600000000 ] - [ -0.0014868400000000, 0.0018240900000000, 0.0006438900000000 ] - [ -0.0011577700000000, -0.0052682100000000, -0.0069849400000000 ] - [ 0.0090356600000000, -0.0180437900000000, 0.0189766200000000 ] - [ 0.0000164000000000, 0.0000000000000000, -0.0008048400000000 ] - [ 0.0005984600000000, 0.0000000000000000, 0.0008295700000000 ] - [ -0.0033484700000000, 0.0000000000000000, 0.0006758200000000 ] - [ 0.3853272200000000, 0.0000000000000000, 0.1369995300000000 ] - [ -0.0012705700000000, 0.0000000000000000, -0.0008151500000000 ] - [ -0.0002811100000000, 0.0000000000000000, 0.0006385300000000 ] - [ -0.0000577600000000, 0.0000000000000000, -0.0030043300000000 ] - [ 0.0005643200000000, 0.0000000000000000, -0.0003128300000000 ]- atom: 29 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005330300000000, -0.0001169700000000, 0.0001595900000000 ] - [ -0.0008475200000000, -0.0001331200000000, 0.0004744900000000 ] - [ 0.0031403800000000, 0.0014791200000000, 0.0013631900000000 ] - [ -0.0054568500000000, 0.0042186200000000, 0.0015896500000000 ] - [ -0.0054568500000000, -0.0042186200000000, 0.0015896500000000 ] - [ 0.0031403800000000, -0.0014791200000000, 0.0013631900000000 ] - [ -0.0008475200000000, 0.0001331200000000, 0.0004744900000000 ] - [ 0.0005330300000000, 0.0001169700000000, 0.0001595900000000 ] - [ 0.0004383900000000, 0.0007899800000000, 0.0006228300000000 ] - [ -0.0012527800000000, -0.0006727700000000, -0.0004369900000000 ] - [ 0.0034254500000000, -0.0085302100000000, 0.0103235900000000 ] - [ -0.0020819800000000, -0.0006735200000000, 0.0002123900000000 ] - [ -0.0020819800000000, 0.0006735200000000, 0.0002123900000000 ] - [ 0.0034254500000000, 0.0085302100000000, 0.0103235900000000 ] - [ -0.0012527800000000, 0.0006727700000000, -0.0004369900000000 ] - [ 0.0004383900000000, -0.0007899800000000, 0.0006228300000000 ] - [ 0.0022370200000000, -0.0020005900000000, 0.0002899000000000 ] - [ -0.0033118200000000, -0.0055233800000000, 0.0026195600000000 ] - [ 0.0018663600000000, -0.0006866100000000, -0.0002095800000000 ] - [ 0.0050733000000000, 0.0024802000000000, 0.0011987700000000 ] - [ -0.0010829200000000, 0.0001524300000000, -0.0001372700000000 ] - [ 0.0018663600000000, 0.0006866100000000, -0.0002095800000000 ] - [ -0.0033118200000000, 0.0055233800000000, 0.0026195600000000 ] - [ 0.0022370200000000, 0.0020005900000000, 0.0002899000000000 ] - [ -0.0043687900000000, 0.0000000000000000, -0.0109048200000000 ] - [ -0.0015131600000000, 0.0000000000000000, 0.0026537400000000 ] - [ 0.0001732700000000, 0.0000000000000000, 0.0000755500000000 ] - [ 0.0001672000000000, 0.0000000000000000, 0.0000396500000000 ] - [ 0.4861270900000000, 0.0000000000000000, 0.1531314500000000 ] - [ -0.0025072900000000, 0.0000000000000000, 0.0009973300000000 ] - [ 0.0004093700000000, 0.0000000000000000, -0.0002481900000000 ] - [ -0.0001972600000000, 0.0000000000000000, 0.0003409900000000 ] - [ -0.0233168900000000, -0.0218724500000000, 0.0063558600000000 ] - [ -0.0005289900000000, -0.0005565000000000, -0.0005087100000000 ] - [ -0.0001378300000000, 0.0001007700000000, -0.0001232800000000 ] - [ -0.0000693800000000, 0.0002149800000000, 0.0001127500000000 ] - [ -0.0000693800000000, -0.0002149800000000, 0.0001127500000000 ] - [ -0.0001378300000000, -0.0001007700000000, -0.0001232800000000 ] - [ -0.0005289900000000, 0.0005565000000000, -0.0005087100000000 ] - [ -0.0233168900000000, 0.0218724500000000, 0.0063558600000000 ] - [ 0.0012425800000000, -0.0011579500000000, 0.0038350900000000 ] - [ -0.0047882500000000, -0.0055437500000000, -0.0054264800000000 ] - [ -0.0005085500000000, 0.0004575100000000, -0.0006223000000000 ] - [ -0.0002754000000000, -0.0001394100000000, 0.0004717200000000 ] - [ -0.0002754000000000, 0.0001394100000000, 0.0004717200000000 ] - [ -0.0005085500000000, -0.0004575100000000, -0.0006223000000000 ] - [ -0.0047882500000000, 0.0055437500000000, -0.0054264800000000 ] - [ 0.0012425800000000, 0.0011579500000000, 0.0038350900000000 ] - [ 0.0050733000000000, -0.0024802000000000, 0.0011987700000000 ] - [ -0.0033808500000000, -0.0034773000000000, -0.0009109700000000 ] - [ 0.0005599100000000, 0.0010504500000000, 0.0012950000000000 ] - [ -0.0005925900000000, 0.0002778300000000, -0.0003644400000000 ] - [ -0.0005925900000000, -0.0002778300000000, -0.0003644400000000 ] - [ 0.0005599100000000, -0.0010504500000000, 0.0012950000000000 ] - [ -0.0033808500000000, 0.0034773000000000, -0.0009109700000000 ] - [ -0.0010829200000000, -0.0001524300000000, -0.0001372700000000 ] - [ -0.0026758700000000, -0.0005113400000000, -0.0020934700000000 ] - [ 0.0063017500000000, 0.0005742500000000, -0.0019509200000000 ] - [ -0.0099433200000000, 0.0022510800000000, -0.0052051000000000 ] - [ 0.0040917200000000, -0.0004594000000000, -0.0012914000000000 ] - [ 0.0040917200000000, 0.0004594000000000, -0.0012914000000000 ] - [ -0.0099433200000000, -0.0022510800000000, -0.0052051000000000 ] - [ 0.0063017500000000, -0.0005742500000000, -0.0019509200000000 ] - [ -0.0026758700000000, 0.0005113400000000, -0.0020934700000000 ] - [ -0.0085109600000000, -0.0172635500000000, -0.0179876500000000 ] - [ 0.0018507500000000, -0.0059821800000000, 0.0058784100000000 ] - [ 0.0008306400000000, 0.0010697300000000, 0.0004150000000000 ] - [ -0.0005134900000000, 0.0007813700000000, 0.0001620200000000 ] - [ -0.0005134900000000, -0.0007813700000000, 0.0001620200000000 ] - [ 0.0008306400000000, -0.0010697300000000, 0.0004150000000000 ] - [ 0.0018507500000000, 0.0059821800000000, 0.0058784100000000 ] - [ -0.0085109600000000, 0.0172635500000000, -0.0179876500000000 ] - [ 0.0004321200000000, 0.0000000000000000, 0.0001938100000000 ] - [ -0.0001380800000000, 0.0000000000000000, -0.0002183300000000 ] - [ 0.0028860000000000, 0.0000000000000000, -0.0012745900000000 ] - [ -0.4082801900000000, 0.0000000000000000, -0.1479215800000000 ] - [ -0.0004245000000000, 0.0000000000000000, 0.0003769900000000 ] - [ -0.0014291100000000, 0.0000000000000000, -0.0001988800000000 ] - [ 0.0017315800000000, 0.0000000000000000, 0.0025346800000000 ] - [ 0.0023016800000000, 0.0000000000000000, 0.0001996500000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008882800000000, 0.0014269800000000, -0.0001077300000000 ] - [ -0.0002855800000000, 0.0013839400000000, -0.0008429800000000 ] - [ -0.0010352500000000, -0.0005806900000000, -0.0006668700000000 ] - [ 0.0007961800000000, -0.0011698600000000, 0.0000111300000000 ] - [ -0.0005026800000000, -0.0006350700000000, -0.0004890500000000 ] - [ 0.0013173400000000, -0.0011105700000000, 0.0011491800000000 ] - [ -0.0000064000000000, 0.0008435900000000, 0.0003628400000000 ] - [ -0.0011745600000000, 0.0019614300000000, 0.0005863400000000 ] - [ -0.0004864200000000, 0.0026428700000000, 0.0017334400000000 ] - [ 0.0003755500000000, 0.0005780800000000, -0.0000598500000000 ] - [ 0.0028984200000000, 0.0033186600000000, -0.0081870000000000 ] - [ -0.0002307700000000, -0.0003317000000000, -0.0001595000000000 ] - [ 0.0006204700000000, -0.0013840300000000, -0.0006179700000000 ] - [ -0.0024761800000000, 0.0043380600000000, 0.0088798600000000 ] - [ -0.0007531700000000, 0.0016186800000000, -0.0007174400000000 ] - [ 0.0001042800000000, 0.0015894300000000, -0.0009428600000000 ] - [ 0.0010356300000000, 0.0001809500000000, 0.0008349400000000 ] - [ 0.0024055300000000, 0.0027657700000000, -0.0017140400000000 ] - [ -0.0012445900000000, 0.0011007900000000, -0.0001807900000000 ] - [ 0.0000435800000000, 0.0055166300000000, 0.0030321000000000 ] - [ -0.0005153800000000, 0.0001561600000000, -0.0002993100000000 ] - [ 0.0007633500000000, 0.0011438700000000, 0.0008760500000000 ] - [ -0.0019261400000000, 0.0027993300000000, 0.0010125400000000 ] - [ -0.0005480100000000, 0.0001477900000000, -0.0001357400000000 ] - [ -0.0001579900000000, -0.0107548000000000, -0.0002054900000000 ] - [ -0.0001848300000000, -0.0010335200000000, 0.0001967300000000 ] - [ 0.0001857700000000, 0.0007765300000000, -0.0001945300000000 ] - [ 0.0001845200000000, 0.0009129400000000, 0.0001942200000000 ] - [ -0.0010801200000000, -0.0601676000000000, -0.0010159300000000 ] - [ -0.0000642900000000, -0.0008432000000000, 0.0004623600000000 ] - [ 0.0000660800000000, 0.0007574200000000, -0.0004608200000000 ] - [ 0.0000663900000000, 0.0006496400000000, 0.0004610500000000 ] - [ 0.0206468700000000, 0.0040940000000000, -0.0041325900000000 ] - [ 0.0005218200000000, -0.0017524200000000, 0.0016036000000000 ] - [ 0.0000527400000000, 0.0008191200000000, 0.0001756100000000 ] - [ -0.0005181500000000, 0.0016548300000000, 0.0009645300000000 ] - [ 0.0003898000000000, 0.0011151700000000, -0.0001532500000000 ] - [ -0.0001779500000000, 0.0013568100000000, -0.0009863200000000 ] - [ -0.0003939500000000, -0.0012105100000000, -0.0007901700000000 ] - [ -0.0207862300000000, 0.0035800800000000, 0.0033541700000000 ] - [ 0.0009902000000000, -0.0009269700000000, -0.0034338300000000 ] - [ 0.0028553400000000, 0.0003726700000000, 0.0019036400000000 ] - [ -0.0005727900000000, 0.0007830800000000, -0.0006141100000000 ] - [ -0.0004694400000000, 0.0007851200000000, -0.0000006200000000 ] - [ -0.0001950400000000, 0.0009343200000000, 0.0008335800000000 ] - [ -0.0000902800000000, 0.0006333700000000, -0.0002206900000000 ] - [ -0.0021744900000000, 0.0002249700000000, -0.0010672600000000 ] - [ -0.0003332500000000, -0.0007835800000000, 0.0026070700000000 ] - [ -0.0009281500000000, 0.0071916900000000, -0.0026917200000000 ] - [ -0.0004445200000000, -0.0004908400000000, 0.0003594900000000 ] - [ -0.0002232300000000, 0.0010152500000000, 0.0009064700000000 ] - [ 0.0001707700000000, 0.0010158500000000, -0.0004394300000000 ] - [ 0.0006849900000000, -0.0007582200000000, 0.0001399100000000 ] - [ 0.0010780200000000, 0.0027954900000000, -0.0006085100000000 ] - [ -0.0004110300000000, 0.0012873500000000, -0.0006571200000000 ] - [ 0.0000394900000000, 0.0001136500000000, -0.0003980300000000 ] - [ -0.0020874100000000, -0.0051945100000000, -0.0027323300000000 ] - [ -0.0009444600000000, -0.0025636600000000, 0.0019062000000000 ] - [ 0.0025086600000000, -0.0021452200000000, 0.0035361400000000 ] - [ -0.0007576700000000, 0.0006348800000000, -0.0002668800000000 ] - [ -0.0010026600000000, 0.0006321300000000, 0.0017047900000000 ] - [ -0.0042430400000000, -0.0021450900000000, -0.0049668000000000 ] - [ 0.0026919100000000, -0.0025461000000000, -0.0004725300000000 ] - [ 0.0038081600000000, -0.0051928000000000, 0.0012861500000000 ] - [ 0.0028476000000000, -0.0070314800000000, -0.0098945300000000 ] - [ 0.0009360400000000, 0.0000647300000000, 0.0021119300000000 ] - [ -0.0017081000000000, -0.0022063100000000, 0.0007323900000000 ] - [ -0.0012720300000000, -0.0019324300000000, -0.0008420700000000 ] - [ 0.0006030500000000, -0.0026746100000000, -0.0002149100000000 ] - [ 0.0010312200000000, -0.0014628800000000, 0.0003256300000000 ] - [ -0.0002673800000000, 0.0008198800000000, -0.0031703400000000 ] - [ -0.0021293800000000, -0.0077962400000000, 0.0109655200000000 ] - [ 0.0002279000000000, -0.0027075300000000, -0.0003039500000000 ] - [ 0.0002259700000000, -0.0022058300000000, 0.0003032500000000 ] - [ -0.0002298500000000, 0.0030395900000000, -0.0003076100000000 ] - [ 0.0009944700000000, 0.0522244700000000, 0.0008580300000000 ] - [ -0.0008531600000000, -0.0031774000000000, -0.0002154400000000 ] - [ -0.0008483600000000, -0.0033805400000000, 0.0002148800000000 ] - [ 0.0008499400000000, 0.0041461700000000, -0.0002431300000000 ] - [ 0.0008280600000000, 0.0103520400000000, 0.0002362800000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003752800000000, 0.0004044000000000, -0.0001528800000000 ] - [ -0.0001071600000000, -0.0000962300000000, 0.0001101300000000 ] - [ 0.0002251700000000, -0.0005292300000000, 0.0022371700000000 ] - [ -0.0002213000000000, 0.0005891300000000, -0.0004614800000000 ] - [ -0.0002213000000000, -0.0005891300000000, -0.0004614800000000 ] - [ 0.0002251700000000, 0.0005292300000000, 0.0022371700000000 ] - [ -0.0001071600000000, 0.0000962300000000, 0.0001101300000000 ] - [ 0.0003752800000000, -0.0004044000000000, -0.0001528800000000 ] - [ -0.0002972300000000, 0.0014509800000000, 0.0011617300000000 ] - [ -0.0003530900000000, -0.0009047000000000, -0.0005846000000000 ] - [ -0.0025169500000000, -0.0075574600000000, 0.0070155500000000 ] - [ 0.0014981700000000, 0.0019000300000000, 0.0002271000000000 ] - [ 0.0014981700000000, -0.0019000300000000, 0.0002271000000000 ] - [ -0.0025169500000000, 0.0075574600000000, 0.0070155500000000 ] - [ -0.0003530900000000, 0.0009047000000000, -0.0005846000000000 ] - [ -0.0002972300000000, -0.0014509800000000, 0.0011617300000000 ] - [ 0.0004799400000000, 0.0004505500000000, 0.0007277400000000 ] - [ -0.0008443500000000, -0.0010772400000000, -0.0002740100000000 ] - [ 0.0009349600000000, -0.0016180200000000, 0.0001025200000000 ] - [ -0.0004802200000000, 0.0029079200000000, 0.0007331500000000 ] - [ -0.0000178200000000, 0.0006292700000000, -0.0001794800000000 ] - [ 0.0009349600000000, 0.0016180200000000, 0.0001025200000000 ] - [ -0.0008443500000000, 0.0010772400000000, -0.0002740100000000 ] - [ 0.0004799400000000, -0.0004505500000000, 0.0007277400000000 ] - [ 0.0230261600000000, 0.0000000000000000, 0.0119525800000000 ] - [ -0.0005119300000000, 0.0000000000000000, 0.0017149700000000 ] - [ 0.0002238800000000, 0.0000000000000000, 0.0003169600000000 ] - [ 0.0001217300000000, 0.0000000000000000, -0.0002687700000000 ] - [ -0.1461107100000000, 0.0000000000000000, -0.1322679100000000 ] - [ 0.0004673200000000, 0.0000000000000000, 0.0014676000000000 ] - [ 0.0002803600000000, 0.0000000000000000, -0.0000392000000000 ] - [ 0.0001913100000000, 0.0000000000000000, 0.0001439900000000 ] - [ -0.0086031900000000, -0.0044305800000000, -0.0090217900000000 ] - [ 0.0006324800000000, -0.0007634800000000, 0.0016760700000000 ] - [ -0.0000933800000000, 0.0002329200000000, 0.0001276300000000 ] - [ 0.0000566100000000, -0.0002374300000000, -0.0002000900000000 ] - [ 0.0000566100000000, 0.0002374300000000, -0.0002000900000000 ] - [ -0.0000933800000000, -0.0002329200000000, 0.0001276300000000 ] - [ 0.0006324800000000, 0.0007634800000000, 0.0016760700000000 ] - [ -0.0086031900000000, 0.0044305800000000, -0.0090217900000000 ] - [ -0.0014883800000000, -0.0009527100000000, 0.0011276400000000 ] - [ 0.0028247300000000, 0.0014334200000000, 0.0007834800000000 ] - [ -0.0004680600000000, 0.0005712400000000, -0.0008577900000000 ] - [ -0.0002194700000000, -0.0005820400000000, 0.0008295600000000 ] - [ -0.0002194700000000, 0.0005820400000000, 0.0008295600000000 ] - [ -0.0004680600000000, -0.0005712400000000, -0.0008577900000000 ] - [ 0.0028247300000000, -0.0014334200000000, 0.0007834800000000 ] - [ -0.0014883800000000, 0.0009527100000000, 0.0011276400000000 ] - [ -0.0004802200000000, -0.0029079200000000, 0.0007331500000000 ] - [ -0.0000616200000000, -0.0003416300000000, 0.0003935500000000 ] - [ -0.0001596100000000, 0.0011817800000000, 0.0011760100000000 ] - [ 0.0002646400000000, 0.0002265800000000, -0.0004963100000000 ] - [ 0.0002646400000000, -0.0002265800000000, -0.0004963100000000 ] - [ -0.0001596100000000, -0.0011817800000000, 0.0011760100000000 ] - [ -0.0000616200000000, 0.0003416300000000, 0.0003935500000000 ] - [ -0.0000178200000000, -0.0006292700000000, -0.0001794800000000 ] - [ -0.0007027100000000, -0.0030236900000000, -0.0015718400000000 ] - [ 0.0014023500000000, 0.0012573900000000, 0.0003122800000000 ] - [ -0.0031788000000000, 0.0051496600000000, -0.0046174800000000 ] - [ -0.0019544700000000, -0.0017704800000000, 0.0015282200000000 ] - [ -0.0019544700000000, 0.0017704800000000, 0.0015282200000000 ] - [ -0.0031788000000000, -0.0051496600000000, -0.0046174800000000 ] - [ 0.0014023500000000, -0.0012573900000000, 0.0003122800000000 ] - [ -0.0007027100000000, 0.0030236900000000, -0.0015718400000000 ] - [ 0.0057427200000000, -0.0054098000000000, -0.0003365900000000 ] - [ -0.0009263300000000, 0.0010078500000000, -0.0032955400000000 ] - [ 0.0007935100000000, 0.0013349700000000, 0.0003038500000000 ] - [ -0.0009472600000000, -0.0014388000000000, -0.0001277600000000 ] - [ -0.0009472600000000, 0.0014388000000000, -0.0001277600000000 ] - [ 0.0007935100000000, -0.0013349700000000, 0.0003038500000000 ] - [ -0.0009263300000000, -0.0010078500000000, -0.0032955400000000 ] - [ 0.0057427200000000, 0.0054098000000000, -0.0003365900000000 ] - [ 0.0000038000000000, 0.0000000000000000, 0.0006897100000000 ] - [ -0.0001542000000000, 0.0000000000000000, -0.0008265700000000 ] - [ -0.0014336500000000, 0.0000000000000000, -0.0034984100000000 ] - [ 0.1468508400000000, 0.0000000000000000, 0.1231692500000000 ] - [ -0.0011548000000000, 0.0000000000000000, 0.0008041500000000 ] - [ -0.0006984500000000, 0.0000000000000000, -0.0009111100000000 ] - [ 0.0000882100000000, 0.0000000000000000, -0.0109635200000000 ] - [ -0.0043681400000000, 0.0000000000000000, 0.0117248000000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0006665100000000, -0.0009434700000000, 0.0006303400000000 ] - [ -0.0001822500000000, 0.0006372100000000, -0.0005907600000000 ] - [ 0.0000713900000000, 0.0010746300000000, -0.0017616100000000 ] - [ 0.0005139800000000, -0.0011295900000000, -0.0000096600000000 ] - [ 0.0005139800000000, 0.0011295900000000, -0.0000096600000000 ] - [ 0.0000713900000000, -0.0010746300000000, -0.0017616100000000 ] - [ -0.0001822500000000, -0.0006372100000000, -0.0005907600000000 ] - [ -0.0006665100000000, 0.0009434700000000, 0.0006303400000000 ] - [ -0.0000872100000000, -0.0004091200000000, -0.0003795300000000 ] - [ -0.0000247000000000, -0.0001352100000000, -0.0001964800000000 ] - [ 0.0029511600000000, 0.0066117500000000, -0.0062855700000000 ] - [ -0.0011237100000000, -0.0008691300000000, -0.0010085900000000 ] - [ -0.0011237100000000, 0.0008691300000000, -0.0010085900000000 ] - [ 0.0029511600000000, -0.0066117500000000, -0.0062855700000000 ] - [ -0.0000247000000000, 0.0001352100000000, -0.0001964800000000 ] - [ -0.0000872100000000, 0.0004091200000000, -0.0003795300000000 ] - [ -0.0000019400000000, -0.0004145500000000, -0.0000328300000000 ] - [ 0.0013341600000000, 0.0010615100000000, -0.0004416400000000 ] - [ -0.0014176100000000, 0.0015870200000000, 0.0006001200000000 ] - [ -0.0003906500000000, -0.0046732800000000, -0.0004476800000000 ] - [ -0.0004623400000000, -0.0005968500000000, -0.0005191600000000 ] - [ -0.0014176100000000, -0.0015870200000000, 0.0006001200000000 ] - [ 0.0013341600000000, -0.0010615100000000, -0.0004416400000000 ] - [ -0.0000019400000000, 0.0004145500000000, -0.0000328300000000 ] - [ -0.0239127700000000, 0.0000000000000000, -0.0127123100000000 ] - [ 0.0001389900000000, 0.0000000000000000, -0.0013259400000000 ] - [ 0.0001503000000000, 0.0000000000000000, -0.0007101500000000 ] - [ 0.0002517700000000, 0.0000000000000000, 0.0006578300000000 ] - [ 0.1486708700000000, 0.0000000000000000, 0.1310404400000000 ] - [ -0.0005967400000000, 0.0000000000000000, -0.0005552500000000 ] - [ -0.0001545300000000, 0.0000000000000000, -0.0008770700000000 ] - [ -0.0000591800000000, 0.0000000000000000, 0.0007731100000000 ] - [ 0.0088095500000000, 0.0050224900000000, 0.0081494500000000 ] - [ -0.0005081000000000, 0.0002240800000000, -0.0008703000000000 ] - [ -0.0000261800000000, -0.0007763100000000, -0.0009377100000000 ] - [ -0.0001793200000000, 0.0007820800000000, 0.0010107400000000 ] - [ -0.0001793200000000, -0.0007820800000000, 0.0010107400000000 ] - [ -0.0000261800000000, 0.0007763100000000, -0.0009377100000000 ] - [ -0.0005081000000000, -0.0002240800000000, -0.0008703000000000 ] - [ 0.0088095500000000, -0.0050224900000000, 0.0081494500000000 ] - [ 0.0021257800000000, 0.0007847700000000, -0.0019733000000000 ] - [ -0.0021544200000000, -0.0012799100000000, 0.0000442000000000 ] - [ -0.0001921000000000, -0.0004225500000000, 0.0000248200000000 ] - [ -0.0004428000000000, 0.0004334200000000, 0.0000046500000000 ] - [ -0.0004428000000000, -0.0004334200000000, 0.0000046500000000 ] - [ -0.0001921000000000, 0.0004225500000000, 0.0000248200000000 ] - [ -0.0021544200000000, 0.0012799100000000, 0.0000442000000000 ] - [ 0.0021257800000000, -0.0007847700000000, -0.0019733000000000 ] - [ -0.0003906500000000, 0.0046732800000000, -0.0004476800000000 ] - [ -0.0007888200000000, -0.0014358900000000, -0.0006947000000000 ] - [ 0.0010176900000000, -0.0029699000000000, -0.0008797100000000 ] - [ 0.0005944500000000, 0.0015586200000000, 0.0001991900000000 ] - [ 0.0005944500000000, -0.0015586200000000, 0.0001991900000000 ] - [ 0.0010176900000000, 0.0029699000000000, -0.0008797100000000 ] - [ -0.0007888200000000, 0.0014358900000000, -0.0006947000000000 ] - [ -0.0004623400000000, 0.0005968500000000, -0.0005191600000000 ] - [ 0.0024532300000000, 0.0030411700000000, 0.0001401600000000 ] - [ 0.0003331900000000, -0.0012773700000000, 0.0011309600000000 ] - [ 0.0014287500000000, -0.0051763700000000, 0.0031751700000000 ] - [ 0.0002105300000000, 0.0017953100000000, -0.0001076600000000 ] - [ 0.0002105300000000, -0.0017953100000000, -0.0001076600000000 ] - [ 0.0014287500000000, 0.0051763700000000, 0.0031751700000000 ] - [ 0.0003331900000000, 0.0012773700000000, 0.0011309600000000 ] - [ 0.0024532300000000, -0.0030411700000000, 0.0001401600000000 ] - [ -0.0049945200000000, 0.0061814300000000, 0.0015246200000000 ] - [ 0.0015896500000000, -0.0017470800000000, 0.0022412100000000 ] - [ -0.0014676700000000, -0.0020854000000000, 0.0007550700000000 ] - [ 0.0002754700000000, 0.0021854400000000, -0.0009357300000000 ] - [ 0.0002754700000000, -0.0021854400000000, -0.0009357300000000 ] - [ -0.0014676700000000, 0.0020854000000000, 0.0007550700000000 ] - [ 0.0015896500000000, 0.0017470800000000, 0.0022412100000000 ] - [ -0.0049945200000000, -0.0061814300000000, 0.0015246200000000 ] - [ 0.0004545300000000, 0.0000000000000000, -0.0013057300000000 ] - [ 0.0006134000000000, 0.0000000000000000, 0.0014419600000000 ] - [ 0.0009759900000000, 0.0000000000000000, 0.0028852100000000 ] - [ -0.1500974800000000, 0.0000000000000000, -0.1218071800000000 ] - [ -0.0005506400000000, 0.0000000000000000, -0.0012403400000000 ] - [ -0.0010033500000000, 0.0000000000000000, 0.0013476100000000 ] - [ 0.0016218700000000, 0.0000000000000000, 0.0105534700000000 ] - [ 0.0063007300000000, 0.0000000000000000, -0.0112817600000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000562800000000, 0.0001137800000000, 0.0001995900000000 ] - [ 0.0002373200000000, 0.0026644500000000, -0.0027500400000000 ] - [ -0.0001724600000000, 0.0003214600000000, -0.0004434100000000 ] - [ 0.0043325900000000, -0.0006758900000000, 0.0028426800000000 ] - [ 0.0006516000000000, 0.0003486600000000, -0.0002452900000000 ] - [ -0.0003524900000000, -0.0005775000000000, -0.0006399100000000 ] - [ -0.0000364400000000, 0.0001873100000000, -0.0001553100000000 ] - [ 0.0012467200000000, -0.0011518000000000, -0.0000546800000000 ] - [ -0.0004537300000000, 0.0010652300000000, 0.0007020400000000 ] - [ 0.0021629900000000, 0.0011552500000000, 0.0001489800000000 ] - [ 0.0004111800000000, 0.0009040600000000, -0.0017625700000000 ] - [ -0.0005944300000000, -0.0003023600000000, 0.0004368400000000 ] - [ -0.0001929000000000, -0.0004511200000000, -0.0006893700000000 ] - [ 0.0001480900000000, -0.0008803300000000, -0.0012028700000000 ] - [ -0.0001522300000000, 0.0009044300000000, -0.0004495500000000 ] - [ -0.0011980700000000, -0.0024532700000000, 0.0021572600000000 ] - [ 0.0001780700000000, 0.0003460200000000, 0.0004651700000000 ] - [ 0.0084446400000000, 0.0234030600000000, -0.0146163600000000 ] - [ -0.0009790700000000, 0.0009443100000000, 0.0002983000000000 ] - [ -0.0011451400000000, -0.0004144000000000, 0.0004509600000000 ] - [ 0.0007590700000000, 0.0009616100000000, 0.0002824600000000 ] - [ -0.0015025200000000, -0.0012520000000000, -0.0000199500000000 ] - [ -0.0000764100000000, 0.0004353300000000, -0.0001466100000000 ] - [ 0.0025968900000000, 0.0006333100000000, 0.0012062300000000 ] - [ -0.0059738500000000, 0.0018465100000000, -0.0017397200000000 ] - [ 0.0003912800000000, -0.0004347100000000, -0.0001916900000000 ] - [ 0.0004577800000000, 0.0002088800000000, -0.0001897500000000 ] - [ -0.0000758000000000, 0.0006644500000000, 0.0003607800000000 ] - [ 0.0234568100000000, 0.0209929000000000, -0.0092083700000000 ] - [ 0.0005251700000000, -0.0004587600000000, -0.0000995900000000 ] - [ 0.0001439900000000, 0.0001162900000000, -0.0004379600000000 ] - [ 0.0000797800000000, 0.0004545300000000, 0.0005899200000000 ] - [ -0.1452320000000000, -0.0493433900000000, -0.0053231500000000 ] - [ 0.0005025000000000, -0.0007729700000000, 0.0009808100000000 ] - [ 0.0003186900000000, 0.0001411100000000, -0.0002456000000000 ] - [ -0.0003565500000000, 0.0010872700000000, 0.0009294700000000 ] - [ -0.0003323900000000, 0.0002398300000000, 0.0004186200000000 ] - [ -0.0000193800000000, 0.0007335000000000, -0.0006634400000000 ] - [ 0.0005585300000000, -0.0001949000000000, 0.0002608200000000 ] - [ -0.0060940500000000, -0.0056618100000000, -0.0000723100000000 ] - [ -0.0099953600000000, -0.0011632800000000, -0.0057271200000000 ] - [ 0.0015833900000000, 0.0007565200000000, 0.0015394200000000 ] - [ 0.0000034600000000, 0.0002750400000000, -0.0004884600000000 ] - [ -0.0004358800000000, 0.0003893000000000, 0.0002122900000000 ] - [ -0.0008875700000000, 0.0002765200000000, 0.0005502400000000 ] - [ -0.0001806700000000, 0.0003007600000000, -0.0002259400000000 ] - [ 0.0022522900000000, -0.0008751600000000, 0.0011001200000000 ] - [ -0.0002136700000000, -0.0004225600000000, -0.0000372500000000 ] - [ 0.0120025900000000, -0.0213119700000000, 0.0139591900000000 ] - [ 0.0000540100000000, -0.0003870200000000, 0.0001015800000000 ] - [ 0.0007767900000000, -0.0015147800000000, -0.0000645800000000 ] - [ 0.0004399400000000, 0.0011953600000000, -0.0001299900000000 ] - [ -0.0000709500000000, -0.0000107600000000, 0.0011461900000000 ] - [ 0.0008439400000000, 0.0018840200000000, -0.0001945200000000 ] - [ 0.0027002600000000, -0.0004038000000000, -0.0006039200000000 ] - [ -0.0001678900000000, 0.0001262700000000, -0.0003081800000000 ] - [ 0.0007382900000000, -0.0012877500000000, -0.0011130300000000 ] - [ -0.0092015700000000, -0.0041468700000000, 0.0062478800000000 ] - [ 0.0001345400000000, -0.0020745600000000, 0.0010659900000000 ] - [ -0.0012442000000000, -0.0008430000000000, -0.0035330800000000 ] - [ -0.0006133800000000, -0.0001908300000000, 0.0005728700000000 ] - [ 0.0003455700000000, 0.0019322800000000, 0.0007613600000000 ] - [ 0.0007599200000000, -0.0008940800000000, 0.0006653500000000 ] - [ -0.0029016600000000, 0.0049095500000000, -0.0036963400000000 ] - [ 0.0022993200000000, 0.0000703300000000, -0.0004303200000000 ] - [ -0.0040551000000000, 0.0002656300000000, -0.0010876800000000 ] - [ -0.0011017400000000, -0.0013364600000000, 0.0006323600000000 ] - [ 0.0024101600000000, -0.0002747700000000, -0.0014545300000000 ] - [ 0.0002343300000000, -0.0018317200000000, -0.0006518700000000 ] - [ -0.0018226200000000, -0.0001176400000000, 0.0005840300000000 ] - [ -0.0004122500000000, -0.0003194800000000, -0.0021977500000000 ] - [ 0.0498334200000000, -0.0287385800000000, 0.0422871500000000 ] - [ 0.0006089200000000, -0.0015812400000000, -0.0009374400000000 ] - [ -0.0001378600000000, -0.0007329500000000, 0.0003122200000000 ] - [ -0.0015224900000000, 0.0010544900000000, -0.0000555200000000 ] - [ 0.0830674900000000, 0.0582155400000000, -0.0261029800000000 ] - [ -0.0023788700000000, -0.0011941500000000, -0.0005590200000000 ] - [ 0.0007911400000000, -0.0012328200000000, 0.0003023000000000 ] - [ 0.0018842500000000, 0.0023389300000000, 0.0028079400000000 ] - [ -0.0091403100000000, 0.0030473400000000, 0.0033676100000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0003486900000000, -0.0006497800000000, 0.0002909600000000 ] - [ -0.0005289300000000, -0.0021176100000000, 0.0022622500000000 ] - [ 0.0004582300000000, 0.0002144000000000, 0.0009294800000000 ] - [ -0.0040769400000000, 0.0001183600000000, -0.0033776600000000 ] - [ -0.0003536800000000, 0.0001978300000000, -0.0002500600000000 ] - [ 0.0006361100000000, 0.0000304300000000, 0.0011144200000000 ] - [ -0.0002563400000000, -0.0007248200000000, -0.0003371200000000 ] - [ -0.0015410200000000, 0.0016971000000000, 0.0005492400000000 ] - [ 0.0000751600000000, -0.0000128300000000, 0.0000732100000000 ] - [ -0.0025315000000000, -0.0021918200000000, -0.0009174300000000 ] - [ -0.0000383800000000, -0.0019438300000000, 0.0025258400000000 ] - [ 0.0009707500000000, 0.0013397200000000, -0.0012149800000000 ] - [ 0.0005709100000000, -0.0005969300000000, -0.0000885500000000 ] - [ 0.0002114400000000, 0.0019068800000000, 0.0019549100000000 ] - [ -0.0002194400000000, 0.0001430600000000, -0.0003214000000000 ] - [ 0.0008195200000000, 0.0014100600000000, -0.0013766200000000 ] - [ 0.0002984300000000, -0.0003022600000000, 0.0002302000000000 ] - [ -0.0079623700000000, -0.0236393000000000, 0.0139645300000000 ] - [ 0.0004953000000000, -0.0009792600000000, 0.0003963600000000 ] - [ 0.0002841600000000, -0.0013559200000000, -0.0001420600000000 ] - [ -0.0012362600000000, -0.0009252200000000, -0.0009806100000000 ] - [ 0.0010187900000000, 0.0012884700000000, 0.0007149300000000 ] - [ 0.0005517300000000, -0.0003916000000000, -0.0005443500000000 ] - [ -0.0021304100000000, -0.0006759700000000, -0.0005144200000000 ] - [ 0.0055787000000000, -0.0018319900000000, 0.0012197900000000 ] - [ -0.0007547300000000, 0.0004305300000000, 0.0005727500000000 ] - [ -0.0000922100000000, -0.0002042500000000, -0.0001973900000000 ] - [ 0.0004413100000000, -0.0006597600000000, 0.0000224800000000 ] - [ -0.0229083300000000, -0.0204462300000000, 0.0082140100000000 ] - [ -0.0006544100000000, 0.0004531700000000, 0.0010316900000000 ] - [ -0.0000084600000000, -0.0001126100000000, -0.0004960500000000 ] - [ 0.0000611800000000, -0.0004498000000000, 0.0003460300000000 ] - [ 0.1450519800000000, 0.0470752700000000, 0.0065550300000000 ] - [ -0.0003721500000000, 0.0002232800000000, -0.0001669900000000 ] - [ -0.0004436700000000, -0.0006838200000000, -0.0005666300000000 ] - [ 0.0002273100000000, -0.0005341900000000, -0.0001132300000000 ] - [ 0.0002070100000000, -0.0007810900000000, 0.0003946000000000 ] - [ -0.0001071400000000, -0.0001828300000000, -0.0001492600000000 ] - [ -0.0004332900000000, 0.0007314700000000, 0.0005504300000000 ] - [ 0.0061828800000000, 0.0051125000000000, -0.0006985900000000 ] - [ 0.0106497300000000, 0.0010783100000000, 0.0048309100000000 ] - [ -0.0009149600000000, -0.0005989300000000, -0.0007052900000000 ] - [ -0.0006659100000000, -0.0001227400000000, -0.0003372200000000 ] - [ -0.0002270600000000, -0.0005353400000000, 0.0006119100000000 ] - [ 0.0002261200000000, -0.0001227500000000, 0.0002716900000000 ] - [ -0.0004811600000000, -0.0004484400000000, -0.0005994900000000 ] - [ -0.0015891700000000, 0.0007091800000000, -0.0002648500000000 ] - [ 0.0008739900000000, 0.0005670700000000, -0.0007792400000000 ] - [ -0.0126954600000000, 0.0227542700000000, -0.0135002800000000 ] - [ -0.0009051600000000, -0.0013838900000000, -0.0004017300000000 ] - [ 0.0000728900000000, -0.0002624200000000, 0.0003641800000000 ] - [ 0.0004200200000000, 0.0005867700000000, -0.0001741000000000 ] - [ 0.0009320300000000, -0.0017742800000000, -0.0014537300000000 ] - [ 0.0000185700000000, -0.0001001000000000, 0.0004963400000000 ] - [ -0.0035454100000000, 0.0021705300000000, 0.0003000600000000 ] - [ -0.0003106700000000, -0.0001620700000000, -0.0003887500000000 ] - [ 0.0010115500000000, 0.0012879200000000, -0.0003246300000000 ] - [ 0.0109061900000000, 0.0041003300000000, -0.0047922300000000 ] - [ -0.0018748300000000, 0.0020512800000000, -0.0024844100000000 ] - [ -0.0005170000000000, 0.0008635900000000, 0.0049728800000000 ] - [ -0.0011430900000000, 0.0001707800000000, 0.0008709900000000 ] - [ -0.0020770900000000, -0.0019111600000000, -0.0021794100000000 ] - [ 0.0009892600000000, 0.0008977100000000, 0.0007682900000000 ] - [ 0.0046683500000000, -0.0049848600000000, 0.0022738800000000 ] - [ -0.0016154400000000, 0.0006765900000000, 0.0014882100000000 ] - [ 0.0047292800000000, -0.0009910200000000, 0.0000100000000000 ] - [ 0.0004261500000000, 0.0005783700000000, 0.0004293600000000 ] - [ -0.0030900900000000, 0.0010204100000000, 0.0003917900000000 ] - [ -0.0009071500000000, 0.0010736100000000, -0.0004077500000000 ] - [ 0.0011522300000000, 0.0008688600000000, 0.0004768300000000 ] - [ 0.0010830400000000, 0.0010606700000000, 0.0011179500000000 ] - [ -0.0500691400000000, 0.0283931100000000, -0.0419820700000000 ] - [ -0.0001571400000000, 0.0015708700000000, 0.0003238100000000 ] - [ 0.0005917800000000, 0.0007258600000000, 0.0003015900000000 ] - [ 0.0010661400000000, -0.0010455700000000, -0.0005540300000000 ] - [ -0.0829626000000000, -0.0558249400000000, 0.0254130900000000 ] - [ 0.0006744700000000, 0.0011817600000000, 0.0001152700000000 ] - [ -0.0024923300000000, 0.0012201600000000, 0.0001394900000000 ] - [ -0.0001896500000000, -0.0022897100000000, -0.0032022000000000 ] - [ 0.0107961900000000, -0.0030285700000000, -0.0028968400000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012539800000000, 0.0024474300000000, -0.0003905200000000 ] - [ 0.0008640700000000, 0.0053323000000000, -0.0051646900000000 ] - [ 0.0008844000000000, 0.0013301600000000, -0.0011563300000000 ] - [ 0.0016523900000000, -0.0032878300000000, -0.0002284400000000 ] - [ -0.0004308500000000, 0.0009161100000000, -0.0012314600000000 ] - [ 0.0005774000000000, -0.0028344100000000, -0.0011311000000000 ] - [ 0.0002470800000000, 0.0024943000000000, 0.0010942400000000 ] - [ -0.0031462000000000, 0.0043889200000000, 0.0015272100000000 ] - [ -0.0008490300000000, 0.0036010500000000, 0.0018616200000000 ] - [ 0.0039055000000000, 0.0030492600000000, 0.0008551600000000 ] - [ 0.0013111400000000, 0.0008968300000000, -0.0011723000000000 ] - [ -0.0010198000000000, -0.0021830400000000, -0.0002781000000000 ] - [ -0.0006790800000000, -0.0000826200000000, -0.0012517500000000 ] - [ -0.0002350600000000, -0.0027475100000000, -0.0012527500000000 ] - [ -0.0014900400000000, 0.0029811300000000, -0.0011247000000000 ] - [ 0.0000944800000000, 0.0043361800000000, -0.0029081200000000 ] - [ 0.0008060900000000, 0.0009387400000000, 0.0008480900000000 ] - [ 0.0257118900000000, 0.0383062100000000, -0.0284114900000000 ] - [ -0.0011384100000000, 0.0025903600000000, -0.0002970300000000 ] - [ 0.0050665000000000, 0.0057839400000000, 0.0031398600000000 ] - [ -0.0004261400000000, -0.0009978100000000, -0.0006358700000000 ] - [ -0.0025712500000000, -0.0011325000000000, 0.0030157800000000 ] - [ -0.0050200800000000, 0.0066985800000000, 0.0034482600000000 ] - [ -0.0050127600000000, -0.0020400600000000, -0.0018715000000000 ] - [ 0.0070026600000000, 0.0076981100000000, -0.0218777000000000 ] - [ 0.0000132800000000, -0.0010802500000000, -0.0008742200000000 ] - [ 0.0002437000000000, 0.0014757700000000, -0.0009017600000000 ] - [ 0.0001810800000000, 0.0023457000000000, 0.0009276400000000 ] - [ 0.0220024600000000, 0.0038024100000000, -0.0051935300000000 ] - [ -0.0003460100000000, -0.0014843300000000, -0.0000325400000000 ] - [ -0.0003096400000000, 0.0010878200000000, -0.0009663600000000 ] - [ 0.0000081400000000, 0.0013850200000000, 0.0009710000000000 ] - [ -0.0510606600000000, -0.3067669400000000, 0.1970528700000000 ] - [ 0.0005620200000000, -0.0017452400000000, 0.0013921500000000 ] - [ 0.0003541100000000, 0.0003850300000000, -0.0004881000000000 ] - [ -0.0008728600000000, 0.0034371600000000, 0.0020934200000000 ] - [ 0.0004528400000000, 0.0014155300000000, 0.0007332600000000 ] - [ -0.0005195400000000, 0.0024145900000000, -0.0017199400000000 ] - [ -0.0004056700000000, -0.0033699800000000, -0.0017016700000000 ] - [ 0.0054757400000000, 0.0502003600000000, 0.0105626200000000 ] - [ -0.0019588600000000, -0.0100521300000000, -0.0074652200000000 ] - [ 0.0010247400000000, 0.0004445200000000, 0.0016667100000000 ] - [ -0.0003217300000000, 0.0001177200000000, 0.0001006100000000 ] - [ -0.0003426600000000, 0.0018804700000000, -0.0006412600000000 ] - [ -0.0005670100000000, 0.0005591000000000, 0.0004124200000000 ] - [ -0.0001140100000000, 0.0014369000000000, 0.0003235100000000 ] - [ 0.0010685200000000, -0.0035373400000000, 0.0027301200000000 ] - [ 0.0003308100000000, -0.0005071600000000, 0.0046645400000000 ] - [ -0.0305137500000000, 0.0287916700000000, -0.0188832600000000 ] - [ -0.0007434500000000, -0.0000700600000000, 0.0003140100000000 ] - [ 0.0004732700000000, -0.0022251200000000, -0.0002543400000000 ] - [ 0.0009435400000000, 0.0026510100000000, -0.0006104300000000 ] - [ 0.0015457900000000, -0.0017416100000000, 0.0017701700000000 ] - [ 0.0018314000000000, 0.0031673300000000, -0.0002989000000000 ] - [ 0.0042397900000000, -0.0023962400000000, -0.0013308700000000 ] - [ -0.0012541000000000, 0.0015956200000000, -0.0007863000000000 ] - [ -0.0016902700000000, -0.0073215000000000, -0.0025492100000000 ] - [ -0.0190630800000000, -0.0085975700000000, 0.0111024700000000 ] - [ -0.0025929700000000, -0.0048351600000000, 0.0015452500000000 ] - [ -0.0016936900000000, 0.0052820700000000, -0.0008940100000000 ] - [ 0.0009130300000000, -0.0027306600000000, 0.0026407000000000 ] - [ 0.0008972300000000, 0.0067792300000000, -0.0003332700000000 ] - [ 0.0049332000000000, -0.0057608900000000, -0.0016612400000000 ] - [ 0.0104533400000000, -0.0147212400000000, 0.0051790200000000 ] - [ -0.0036037900000000, -0.0149304600000000, -0.0228009400000000 ] - [ -0.0007054000000000, 0.0084920500000000, -0.0015652600000000 ] - [ -0.0011931500000000, -0.0042308600000000, 0.0008281700000000 ] - [ 0.0001511800000000, -0.0003915800000000, -0.0027176800000000 ] - [ 0.0000683000000000, -0.0061529600000000, -0.0001158400000000 ] - [ -0.0007292800000000, 0.0011452200000000, 0.0005904000000000 ] - [ 0.0001440800000000, 0.0001818700000000, -0.0028152600000000 ] - [ -0.0163076000000000, 0.1013969400000000, -0.0906021800000000 ] - [ 0.0005245000000000, -0.0058122500000000, -0.0021359500000000 ] - [ 0.0007328700000000, -0.0032464000000000, 0.0016673400000000 ] - [ 0.0001951200000000, 0.0042173900000000, 0.0012746500000000 ] - [ 0.0544284900000000, 0.0998436900000000, -0.0364333500000000 ] - [ -0.0009993700000000, -0.0066030900000000, -0.0017177800000000 ] - [ -0.0000888600000000, -0.0075091400000000, 0.0018436600000000 ] - [ 0.0027818800000000, 0.0080651900000000, 0.0084555900000000 ] - [ -0.0063359200000000, 0.0053389900000000, 0.0022420300000000 ]- atom: 33 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0015377000000000, -0.0029747700000000, 0.0008613800000000 ] - [ -0.0011552900000000, -0.0048179600000000, 0.0047319100000000 ] - [ -0.0005972500000000, -0.0008055500000000, 0.0016216200000000 ] - [ -0.0013417500000000, 0.0027490200000000, -0.0002360900000000 ] - [ 0.0007122400000000, -0.0003861400000000, 0.0007561700000000 ] - [ -0.0003013100000000, 0.0022964200000000, 0.0015759700000000 ] - [ -0.0005384300000000, -0.0030212700000000, -0.0015573100000000 ] - [ 0.0028499900000000, -0.0038535700000000, -0.0010556000000000 ] - [ 0.0004632900000000, -0.0025464300000000, -0.0010701300000000 ] - [ -0.0043075700000000, -0.0040995300000000, -0.0016411800000000 ] - [ -0.0009249900000000, -0.0019570700000000, 0.0019723100000000 ] - [ 0.0014086300000000, 0.0032220400000000, -0.0005136000000000 ] - [ 0.0010696800000000, -0.0009738900000000, 0.0004580800000000 ] - [ 0.0006088700000000, 0.0037835300000000, 0.0020238500000000 ] - [ 0.0010989400000000, -0.0019323100000000, 0.0003397800000000 ] - [ -0.0004827200000000, -0.0053750100000000, 0.0036948200000000 ] - [ -0.0003136800000000, -0.0009102400000000, -0.0001448300000000 ] - [ -0.0255979100000000, -0.0390820200000000, 0.0282468700000000 ] - [ 0.0006651700000000, -0.0026319200000000, 0.0009911200000000 ] - [ -0.0058686300000000, -0.0075282800000000, -0.0028138900000000 ] - [ -0.0000468500000000, 0.0010414200000000, -0.0000618800000000 ] - [ 0.0021049500000000, 0.0011783000000000, -0.0023306500000000 ] - [ 0.0054578600000000, -0.0066132900000000, -0.0041061600000000 ] - [ 0.0055183000000000, 0.0020083200000000, 0.0025891900000000 ] - [ -0.0072283600000000, -0.0076393400000000, 0.0210943000000000 ] - [ -0.0003828400000000, 0.0010733300000000, 0.0012620200000000 ] - [ 0.0001272800000000, -0.0014725200000000, 0.0005132600000000 ] - [ 0.0001919900000000, -0.0023437500000000, -0.0005424300000000 ] - [ -0.0219135600000000, -0.0038750600000000, 0.0042759200000000 ] - [ 0.0002321000000000, 0.0014739300000000, 0.0009395900000000 ] - [ 0.0004357100000000, -0.0010847000000000, 0.0000558100000000 ] - [ 0.0001207000000000, -0.0013818200000000, -0.0000610600000000 ] - [ 0.0453943500000000, 0.3043661100000000, -0.1995925200000000 ] - [ -0.0004376100000000, 0.0011871600000000, -0.0005804400000000 ] - [ -0.0004704700000000, -0.0009231100000000, -0.0003154600000000 ] - [ 0.0007525900000000, -0.0028865200000000, -0.0012865000000000 ] - [ -0.0005685700000000, -0.0019514000000000, 0.0000659200000000 ] - [ 0.0004012800000000, -0.0018671600000000, 0.0009131000000000 ] - [ 0.0005216500000000, 0.0039163500000000, 0.0025121300000000 ] - [ -0.0053014300000000, -0.0494351600000000, -0.0112870700000000 ] - [ 0.0026039500000000, 0.0100364600000000, 0.0063414500000000 ] - [ -0.0003667500000000, -0.0003101000000000, -0.0008400700000000 ] - [ -0.0003417800000000, 0.0000320900000000, -0.0009360800000000 ] - [ -0.0003192900000000, -0.0020219400000000, 0.0014713800000000 ] - [ -0.0000942100000000, -0.0004063400000000, 0.0004196900000000 ] - [ -0.0005488800000000, -0.0015835000000000, -0.0011580800000000 ] - [ -0.0004049600000000, 0.0033941300000000, -0.0019038500000000 ] - [ 0.0003327900000000, 0.0006273100000000, -0.0054412800000000 ] - [ 0.0300434900000000, -0.0271515200000000, 0.0194185100000000 ] - [ -0.0001232100000000, -0.0017239300000000, -0.0006102600000000 ] - [ 0.0003711900000000, 0.0004493500000000, 0.0005528600000000 ] - [ -0.0000892000000000, -0.0008667200000000, 0.0003042200000000 ] - [ -0.0006963900000000, -0.0000407900000000, -0.0020786400000000 ] - [ -0.0009733600000000, -0.0013880000000000, 0.0005993100000000 ] - [ -0.0051131900000000, 0.0041962400000000, 0.0010409100000000 ] - [ 0.0007726100000000, -0.0016311800000000, 0.0000848600000000 ] - [ 0.0034189800000000, 0.0073105600000000, 0.0011005400000000 ] - [ 0.0208390700000000, 0.0085650300000000, -0.0096899000000000 ] - [ 0.0008284600000000, 0.0048310000000000, -0.0029694900000000 ] - [ -0.0000702500000000, -0.0052865700000000, 0.0023196500000000 ] - [ -0.0026561600000000, 0.0027190000000000, -0.0011850600000000 ] - [ -0.0026338200000000, -0.0067794100000000, -0.0010883600000000 ] - [ -0.0031524300000000, 0.0057597900000000, 0.0030756900000000 ] - [ -0.0086643600000000, 0.0146939500000000, -0.0065965100000000 ] - [ 0.0042238900000000, 0.0155934600000000, 0.0236307400000000 ] - [ 0.0013780400000000, -0.0092579500000000, 0.0005092300000000 ] - [ 0.0005248200000000, 0.0034853200000000, 0.0002347100000000 ] - [ -0.0008272100000000, 0.0011064100000000, 0.0016655700000000 ] - [ -0.0007450600000000, 0.0054015600000000, -0.0009346100000000 ] - [ 0.0000604800000000, -0.0004174300000000, 0.0004703100000000 ] - [ 0.0005320100000000, 0.0005853700000000, 0.0017524300000000 ] - [ 0.0181053400000000, -0.1046367800000000, 0.0966914500000000 ] - [ -0.0000694500000000, 0.0057994200000000, 0.0015298100000000 ] - [ -0.0002771800000000, 0.0032359800000000, -0.0010571200000000 ] - [ -0.0006647400000000, -0.0042083500000000, -0.0018890300000000 ] - [ -0.0506662900000000, -0.0948218000000000, 0.0336220800000000 ] - [ -0.0006993800000000, 0.0065880100000000, 0.0012837000000000 ] - [ -0.0016204600000000, 0.0074895700000000, -0.0014110400000000 ] - [ -0.0010883000000000, -0.0079721900000000, -0.0088237700000000 ] - [ 0.0080525100000000, -0.0053216700000000, -0.0018042200000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0007664800000000, -0.0015881800000000, 0.0004565500000000 ] - [ -0.0008066000000000, -0.0029764000000000, 0.0026159100000000 ] - [ -0.0007440600000000, -0.0010699300000000, 0.0025970900000000 ] - [ 0.0022721300000000, 0.0013096700000000, 0.0015001400000000 ] - [ 0.0005613200000000, -0.0003855500000000, 0.0002248800000000 ] - [ 0.0009454900000000, 0.0006901300000000, 0.0047741600000000 ] - [ -0.0003926400000000, -0.0015548200000000, -0.0007420100000000 ] - [ 0.0020844600000000, -0.0025664800000000, -0.0008409400000000 ] - [ 0.0001950500000000, -0.0009366700000000, -0.0002617200000000 ] - [ -0.0030199500000000, -0.0030200600000000, -0.0014336100000000 ] - [ -0.0011248700000000, -0.0015143700000000, 0.0010142600000000 ] - [ 0.0005323800000000, 0.0016061600000000, 0.0020575400000000 ] - [ 0.0011450300000000, -0.0009687200000000, 0.0009757000000000 ] - [ -0.0000698700000000, 0.0020516600000000, 0.0020716500000000 ] - [ 0.0003271500000000, -0.0006197800000000, -0.0001154900000000 ] - [ 0.0000843600000000, -0.0035806100000000, 0.0020650700000000 ] - [ 0.0000834200000000, -0.0004797500000000, 0.0001470200000000 ] - [ -0.0126496100000000, -0.0220024200000000, 0.0084654800000000 ] - [ 0.0005386700000000, -0.0022641600000000, 0.0006021900000000 ] - [ -0.0022181200000000, -0.0036216300000000, -0.0013946400000000 ] - [ 0.0005854700000000, 0.0013130000000000, 0.0005233600000000 ] - [ -0.0009033300000000, 0.0031089200000000, 0.0028493900000000 ] - [ 0.0021194900000000, -0.0024898000000000, -0.0020694600000000 ] - [ 0.0025429600000000, 0.0010127400000000, 0.0011457300000000 ] - [ -0.0124298200000000, -0.0251991700000000, 0.0314628000000000 ] - [ -0.0006048200000000, 0.0004491200000000, 0.0018737200000000 ] - [ 0.0001474700000000, -0.0008599000000000, 0.0005082300000000 ] - [ 0.0001905400000000, -0.0013044100000000, -0.0007755700000000 ] - [ -0.0069737100000000, -0.0038165000000000, -0.0089797700000000 ] - [ -0.0009934500000000, 0.0012022900000000, 0.0017409000000000 ] - [ 0.0003495200000000, -0.0005815200000000, 0.0000706000000000 ] - [ 0.0003601300000000, -0.0005599000000000, -0.0001429800000000 ] - [ -0.0073984300000000, 0.2019741700000000, -0.2849414600000000 ] - [ -0.0005142200000000, 0.0007166300000000, -0.0000675400000000 ] - [ -0.0002231100000000, -0.0001900900000000, 0.0000684700000000 ] - [ 0.0004614400000000, -0.0014197700000000, -0.0007531800000000 ] - [ -0.0000512700000000, 0.0000548500000000, -0.0006107200000000 ] - [ 0.0001971800000000, -0.0010445000000000, 0.0005239000000000 ] - [ 0.0002069400000000, 0.0023891100000000, 0.0017727400000000 ] - [ 0.0003789400000000, -0.0113575000000000, -0.0136188300000000 ] - [ 0.0050491100000000, -0.0088300000000000, 0.0350504000000000 ] - [ -0.0002603300000000, -0.0003168900000000, -0.0006806100000000 ] - [ -0.0002760900000000, 0.0003800800000000, -0.0008865000000000 ] - [ -0.0002451400000000, -0.0012855000000000, 0.0012128500000000 ] - [ -0.0000899800000000, 0.0008424900000000, 0.0016456700000000 ] - [ -0.0004878500000000, -0.0010353600000000, -0.0009647800000000 ] - [ -0.0002045200000000, 0.0020876000000000, -0.0015212600000000 ] - [ 0.0004270500000000, 0.0018356600000000, -0.0031545800000000 ] - [ 0.0128481200000000, -0.0142400800000000, 0.0026768300000000 ] - [ -0.0005319400000000, -0.0013743400000000, -0.0003886100000000 ] - [ -0.0002316500000000, 0.0001628800000000, 0.0009893900000000 ] - [ 0.0001652400000000, -0.0002027700000000, -0.0000435800000000 ] - [ 0.0003609000000000, 0.0009474600000000, 0.0003746700000000 ] - [ -0.0006281800000000, -0.0007705100000000, 0.0004787800000000 ] - [ -0.0037429500000000, 0.0026270100000000, 0.0004458300000000 ] - [ 0.0004682400000000, -0.0011487300000000, -0.0000067500000000 ] - [ 0.0017322500000000, 0.0032882000000000, 0.0000859100000000 ] - [ 0.0139930300000000, 0.0067127100000000, -0.0058400500000000 ] - [ 0.0017684100000000, 0.0051303600000000, -0.0025283100000000 ] - [ -0.0025965400000000, -0.0035557600000000, -0.0029484800000000 ] - [ -0.0025218500000000, 0.0025181500000000, -0.0001592800000000 ] - [ 0.0012088700000000, -0.0026122900000000, -0.0059300700000000 ] - [ -0.0004530600000000, 0.0024381700000000, 0.0015995500000000 ] - [ -0.0062453600000000, 0.0088772400000000, -0.0047431400000000 ] - [ 0.0010815700000000, 0.0046516900000000, 0.0103786900000000 ] - [ 0.0016316800000000, -0.0054959000000000, 0.0005639700000000 ] - [ 0.0003656700000000, 0.0021526400000000, 0.0002281200000000 ] - [ -0.0011793500000000, -0.0041285000000000, -0.0009017400000000 ] - [ -0.0010903500000000, 0.0033967600000000, -0.0005948000000000 ] - [ -0.0002531600000000, -0.0011987900000000, 0.0001774500000000 ] - [ 0.0006598500000000, 0.0005308800000000, 0.0011017300000000 ] - [ 0.0324041500000000, -0.0969247600000000, 0.1868147100000000 ] - [ -0.0004244600000000, 0.0023137400000000, 0.0019699600000000 ] - [ -0.0002397800000000, 0.0016832900000000, -0.0010991600000000 ] - [ 0.0006672800000000, -0.0025606500000000, -0.0028646900000000 ] - [ -0.0190532200000000, -0.0220669400000000, 0.0534701000000000 ] - [ -0.0009067500000000, 0.0037741400000000, 0.0013510400000000 ] - [ -0.0013139100000000, 0.0044453100000000, -0.0016358900000000 ] - [ -0.0005040400000000, -0.0110310700000000, -0.0193337000000000 ] - [ 0.0042238500000000, -0.0019234200000000, 0.0002507600000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0004624800000000, 0.0010266600000000, 0.0000411000000000 ] - [ 0.0005051800000000, 0.0034814700000000, -0.0030658900000000 ] - [ 0.0010485600000000, 0.0016179400000000, -0.0020911100000000 ] - [ -0.0020086700000000, -0.0018324900000000, -0.0019718400000000 ] - [ -0.0002722900000000, 0.0009183300000000, -0.0007006800000000 ] - [ -0.0006315300000000, -0.0012326700000000, -0.0042523300000000 ] - [ 0.0000957300000000, 0.0009930900000000, 0.0002391700000000 ] - [ -0.0023643700000000, 0.0030904900000000, 0.0013290800000000 ] - [ -0.0005657500000000, 0.0019606000000000, 0.0010227700000000 ] - [ 0.0026011500000000, 0.0019459400000000, 0.0006508500000000 ] - [ 0.0014987300000000, 0.0004439600000000, -0.0002003300000000 ] - [ -0.0001682600000000, -0.0005608000000000, -0.0028032700000000 ] - [ -0.0007826200000000, -0.0000589300000000, -0.0017303300000000 ] - [ 0.0004546000000000, -0.0009839800000000, -0.0012700400000000 ] - [ -0.0006918200000000, 0.0016458400000000, -0.0006508700000000 ] - [ -0.0004482900000000, 0.0025255300000000, -0.0012897300000000 ] - [ 0.0003922800000000, 0.0005105000000000, 0.0005430300000000 ] - [ 0.0128941100000000, 0.0214471800000000, -0.0090613200000000 ] - [ -0.0010091100000000, 0.0022099200000000, 0.0001037200000000 ] - [ 0.0013330000000000, 0.0017990600000000, 0.0016717100000000 ] - [ -0.0010607300000000, -0.0012666700000000, -0.0012140600000000 ] - [ 0.0004445300000000, -0.0030920100000000, -0.0021744000000000 ] - [ -0.0016071200000000, 0.0024855100000000, 0.0013423900000000 ] - [ -0.0020618600000000, -0.0010437600000000, -0.0004514400000000 ] - [ 0.0122402900000000, 0.0256777300000000, -0.0324801100000000 ] - [ 0.0002311600000000, -0.0004435000000000, -0.0014694600000000 ] - [ 0.0002184400000000, 0.0008518100000000, -0.0008929500000000 ] - [ 0.0001781300000000, 0.0012882500000000, 0.0011545500000000 ] - [ 0.0065433700000000, 0.0036759100000000, 0.0081838900000000 ] - [ 0.0008373200000000, -0.0011880700000000, -0.0008021400000000 ] - [ -0.0002128600000000, 0.0005757400000000, -0.0010010100000000 ] - [ -0.0002208200000000, 0.0005522900000000, 0.0010728400000000 ] - [ 0.0045416100000000, -0.1946945000000000, 0.2754806400000000 ] - [ 0.0006288200000000, -0.0012425300000000, 0.0008654600000000 ] - [ 0.0000992600000000, -0.0003565500000000, -0.0008835000000000 ] - [ -0.0005786800000000, 0.0019446000000000, 0.0015564700000000 ] - [ -0.0000734000000000, -0.0006066500000000, 0.0014240000000000 ] - [ -0.0003155900000000, 0.0015734100000000, -0.0013282200000000 ] - [ -0.0000867600000000, -0.0018286400000000, -0.0009498900000000 ] - [ -0.0002506300000000, 0.0105023700000000, 0.0127675600000000 ] - [ -0.0042111100000000, 0.0084938400000000, -0.0346699000000000 ] - [ 0.0009109600000000, 0.0004530900000000, 0.0014875000000000 ] - [ -0.0003868300000000, -0.0002327400000000, 0.0000559400000000 ] - [ -0.0004189800000000, 0.0011260300000000, -0.0003738700000000 ] - [ -0.0005738800000000, -0.0006976300000000, -0.0008129100000000 ] - [ -0.0001774300000000, 0.0008764200000000, 0.0001292600000000 ] - [ 0.0008569100000000, -0.0022080800000000, 0.0023230700000000 ] - [ 0.0002390300000000, -0.0016650600000000, 0.0022723300000000 ] - [ -0.0136426800000000, 0.0159663900000000, -0.0024938200000000 ] - [ -0.0003237500000000, -0.0004111800000000, 0.0000820900000000 ] - [ 0.0010885700000000, -0.0019364500000000, -0.0006832300000000 ] - [ 0.0006878000000000, 0.0019749600000000, -0.0002511800000000 ] - [ 0.0004863400000000, -0.0027268100000000, -0.0006787900000000 ] - [ 0.0014790600000000, 0.0025324200000000, -0.0001699500000000 ] - [ 0.0028410600000000, -0.0008259500000000, -0.0007416000000000 ] - [ -0.0009445600000000, 0.0011038100000000, -0.0006859400000000 ] - [ 0.0000342000000000, -0.0032215600000000, -0.0015051100000000 ] - [ -0.0120865800000000, -0.0066652300000000, 0.0071832100000000 ] - [ -0.0035347700000000, -0.0051173800000000, 0.0010602300000000 ] - [ 0.0008673800000000, 0.0035461100000000, 0.0043487200000000 ] - [ 0.0007736200000000, -0.0025224500000000, 0.0015653500000000 ] - [ -0.0029925000000000, 0.0026038300000000, 0.0044579300000000 ] - [ 0.0021800500000000, -0.0023849800000000, -0.0001490000000000 ] - [ 0.0079569000000000, -0.0088612400000000, 0.0032839700000000 ] - [ -0.0003900500000000, -0.0037924900000000, -0.0091192100000000 ] - [ -0.0009276300000000, 0.0046934100000000, -0.0015944600000000 ] - [ -0.0010279100000000, -0.0028775900000000, 0.0008309400000000 ] - [ 0.0005138300000000, 0.0048751300000000, -0.0001662400000000 ] - [ 0.0004113700000000, -0.0041088000000000, -0.0004696600000000 ] - [ -0.0004203100000000, 0.0019460200000000, 0.0008806100000000 ] - [ 0.0000178500000000, 0.0002237500000000, -0.0021251000000000 ] - [ -0.0295756900000000, 0.0886818700000000, -0.1772701500000000 ] - [ 0.0008720600000000, -0.0022768700000000, -0.0025634200000000 ] - [ 0.0006907700000000, -0.0016613000000000, 0.0017022000000000 ] - [ -0.0010995700000000, 0.0025298900000000, 0.0022374600000000 ] - [ 0.0193792800000000, 0.0236098300000000, -0.0532745500000000 ] - [ -0.0007864600000000, -0.0037309000000000, -0.0017797300000000 ] - [ -0.0003995600000000, -0.0043936100000000, 0.0020638000000000 ] - [ 0.0022157700000000, 0.0108882500000000, 0.0187589600000000 ] - [ -0.0024201500000000, 0.0018808600000000, 0.0001399300000000 ]- atom: 41 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001326200000000, -0.0005053100000000, 0.0003054400000000 ] - [ -0.0003793500000000, 0.0022091000000000, -0.0014128800000000 ] - [ -0.0003660400000000, 0.0001080200000000, 0.0002780600000000 ] - [ 0.0007519000000000, -0.0003433200000000, -0.0005067700000000 ] - [ 0.0002732600000000, 0.0002289100000000, -0.0003216300000000 ] - [ 0.0019440700000000, -0.0006925500000000, 0.0066542900000000 ] - [ -0.0002473900000000, -0.0002567100000000, -0.0002508700000000 ] - [ 0.0029225200000000, -0.0029932700000000, -0.0001367300000000 ] - [ -0.0002527700000000, 0.0004049400000000, 0.0004201300000000 ] - [ 0.0021033700000000, 0.0011268300000000, 0.0002114900000000 ] - [ 0.0002730500000000, -0.0003945900000000, 0.0002007800000000 ] - [ 0.0007145700000000, 0.0009249900000000, -0.0023007900000000 ] - [ 0.0001794100000000, -0.0007291300000000, -0.0006139800000000 ] - [ 0.0012527000000000, 0.0007022400000000, 0.0009605300000000 ] - [ -0.0000496900000000, 0.0003985300000000, -0.0002492900000000 ] - [ -0.0009579600000000, -0.0035337900000000, 0.0022731700000000 ] - [ 0.0005123200000000, -0.0002740400000000, 0.0004748800000000 ] - [ 0.0004462700000000, 0.0162204000000000, 0.0101619200000000 ] - [ -0.0003437700000000, 0.0000224800000000, 0.0003910000000000 ] - [ -0.0006130300000000, -0.0009516600000000, 0.0002574400000000 ] - [ 0.0006912700000000, 0.0006780900000000, -0.0004065000000000 ] - [ -0.0013667100000000, -0.0010245700000000, 0.0004896300000000 ] - [ 0.0000869900000000, 0.0001487100000000, -0.0004011500000000 ] - [ 0.0044496800000000, 0.0011775500000000, 0.0012843000000000 ] - [ -0.0009560800000000, -0.0004298200000000, -0.0002254600000000 ] - [ 0.0009025200000000, 0.0002047200000000, -0.0007084300000000 ] - [ 0.0005697600000000, -0.0001816400000000, -0.0000214400000000 ] - [ -0.0001975000000000, 0.0003302000000000, 0.0003396300000000 ] - [ -0.0009697200000000, 0.0006593300000000, -0.0022710700000000 ] - [ 0.0050682900000000, -0.0024924900000000, -0.0020156700000000 ] - [ 0.0002395000000000, -0.0002405200000000, -0.0003203700000000 ] - [ 0.0000109300000000, 0.0001386200000000, 0.0005705900000000 ] - [ -0.0102754900000000, -0.0020040700000000, 0.0042440000000000 ] - [ 0.0013070200000000, -0.0009647300000000, 0.0009870900000000 ] - [ 0.0002769300000000, -0.0002611400000000, -0.0004613500000000 ] - [ -0.0001635700000000, 0.0002852700000000, 0.0004924400000000 ] - [ -0.0006150200000000, -0.0005078800000000, 0.0006474600000000 ] - [ 0.0000925900000000, 0.0000553600000000, -0.0002490900000000 ] - [ 0.0019809100000000, 0.0010088100000000, 0.0009381800000000 ] - [ -0.0004845000000000, -0.0002785100000000, -0.0003146200000000 ] - [ -0.0492850000000000, 0.0075791600000000, 0.0081230200000000 ] - [ 0.0006011400000000, 0.0000856600000000, 0.0006274000000000 ] - [ 0.0000935500000000, 0.0000830800000000, -0.0005394700000000 ] - [ -0.0003899500000000, -0.0001409200000000, 0.0004924500000000 ] - [ -0.0007946700000000, -0.0000315400000000, 0.0003170200000000 ] - [ -0.0002788300000000, -0.0001836900000000, -0.0004670800000000 ] - [ 0.0020385700000000, 0.0000295200000000, 0.0007115800000000 ] - [ -0.0010474200000000, 0.0000425500000000, -0.0003336600000000 ] - [ 0.0058286500000000, -0.0186248900000000, -0.0140252600000000 ] - [ -0.0004187300000000, -0.0011315100000000, -0.0000111800000000 ] - [ 0.0012956300000000, -0.0015478700000000, 0.0003015600000000 ] - [ 0.0003301200000000, 0.0007327300000000, -0.0001851400000000 ] - [ -0.0001369500000000, -0.0003517000000000, -0.0000019200000000 ] - [ 0.0004286300000000, 0.0008379500000000, 0.0001063100000000 ] - [ 0.0040322800000000, 0.0008383500000000, 0.0000887200000000 ] - [ -0.0000403400000000, -0.0002609600000000, -0.0003604000000000 ] - [ 0.0007826400000000, 0.0003229300000000, -0.0009069800000000 ] - [ -0.0070743700000000, -0.0072399600000000, 0.0047605300000000 ] - [ -0.0007548300000000, -0.0000518400000000, -0.0005309200000000 ] - [ -0.0021027800000000, -0.0011409000000000, 0.0015145900000000 ] - [ -0.0010377700000000, 0.0004907400000000, 0.0010065100000000 ] - [ -0.0015995600000000, 0.0016955800000000, -0.0017767300000000 ] - [ 0.0009685200000000, 0.0001655900000000, 0.0005190000000000 ] - [ -0.0077063500000000, 0.0112122600000000, -0.0076377800000000 ] - [ 0.0010793600000000, 0.0002639800000000, 0.0005746400000000 ] - [ -0.0080288500000000, -0.0008532100000000, -0.0015185100000000 ] - [ -0.0005517600000000, -0.0000262800000000, 0.0005449000000000 ] - [ 0.0018488000000000, 0.0008734600000000, -0.0004669100000000 ] - [ -0.0001080600000000, -0.0002802000000000, -0.0005457000000000 ] - [ -0.0020296100000000, 0.0002152700000000, 0.0007192400000000 ] - [ -0.0002450100000000, 0.0009705900000000, -0.0011558200000000 ] - [ 0.0519987500000000, -0.0029827100000000, -0.0094544000000000 ] - [ 0.0008061900000000, -0.0002646500000000, -0.0009769500000000 ] - [ -0.0003783300000000, 0.0003035500000000, -0.0000065600000000 ] - [ -0.0047906100000000, -0.0008080900000000, 0.0002233300000000 ] - [ 0.0036407000000000, 0.0016818900000000, 0.0017552000000000 ] - [ -0.0028320400000000, 0.0002967200000000, -0.0003834800000000 ] - [ 0.0011400600000000, 0.0004404800000000, -0.0000121500000000 ] - [ 0.0068313600000000, -0.0006770200000000, -0.0010165100000000 ] - [ -0.0007917600000000, -0.0005374400000000, 0.0005331800000000 ]- atom: 41 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001572900000000, -0.0000286600000000, 0.0001683100000000 ] - [ 0.0000917000000000, -0.0016694300000000, 0.0009308100000000 ] - [ 0.0006545100000000, 0.0004251100000000, 0.0001992400000000 ] - [ -0.0004558100000000, -0.0001949300000000, 0.0000336700000000 ] - [ 0.0000190200000000, 0.0003057600000000, -0.0001497700000000 ] - [ -0.0016485000000000, 0.0001555600000000, -0.0061158200000000 ] - [ -0.0000417800000000, -0.0002776500000000, -0.0002246100000000 ] - [ -0.0032076300000000, 0.0035252700000000, 0.0006073300000000 ] - [ -0.0001315700000000, 0.0006423900000000, 0.0003631900000000 ] - [ -0.0024700600000000, -0.0021632300000000, -0.0009976100000000 ] - [ 0.0001107000000000, -0.0006529000000000, 0.0005867300000000 ] - [ -0.0003325500000000, 0.0001142600000000, 0.0015317400000000 ] - [ 0.0002083000000000, -0.0003192600000000, -0.0001710900000000 ] - [ -0.0008712800000000, 0.0003383500000000, -0.0001790900000000 ] - [ -0.0003305700000000, 0.0006478300000000, -0.0005343500000000 ] - [ 0.0005714300000000, 0.0024847600000000, -0.0014873600000000 ] - [ -0.0000364600000000, 0.0003129400000000, 0.0002253700000000 ] - [ 0.0000532300000000, -0.0164010100000000, -0.0109520300000000 ] - [ -0.0001341100000000, -0.0000586800000000, 0.0003136700000000 ] - [ -0.0002433500000000, -0.0008388600000000, 0.0000368100000000 ] - [ -0.0011646000000000, -0.0006417700000000, -0.0002944100000000 ] - [ 0.0008871500000000, 0.0010582500000000, 0.0002156000000000 ] - [ 0.0003940300000000, -0.0001153800000000, -0.0003016600000000 ] - [ -0.0039789000000000, -0.0012209700000000, -0.0005880700000000 ] - [ 0.0005760400000000, 0.0004132800000000, -0.0001523500000000 ] - [ -0.0012763100000000, -0.0002074100000000, 0.0011099700000000 ] - [ -0.0001964400000000, 0.0001833400000000, -0.0003716100000000 ] - [ 0.0005692700000000, -0.0003275500000000, 0.0000497600000000 ] - [ 0.0008261300000000, -0.0006628000000000, 0.0013423500000000 ] - [ -0.0052450600000000, 0.0025377000000000, 0.0029652400000000 ] - [ -0.0001123100000000, 0.0002421800000000, -0.0005962500000000 ] - [ 0.0001202500000000, -0.0001357100000000, 0.0003473800000000 ] - [ 0.0103671400000000, 0.0025625100000000, -0.0050133300000000 ] - [ -0.0011944200000000, 0.0004258000000000, -0.0001859700000000 ] - [ -0.0003894200000000, -0.0002831300000000, -0.0003476500000000 ] - [ 0.0000481200000000, 0.0002632800000000, 0.0003164600000000 ] - [ 0.0005012000000000, -0.0000365400000000, 0.0001613000000000 ] - [ -0.0002053200000000, 0.0004917100000000, -0.0005580300000000 ] - [ -0.0018629900000000, -0.0004634600000000, -0.0001263100000000 ] - [ 0.0006014400000000, -0.0002830500000000, -0.0005022500000000 ] - [ 0.0499714400000000, -0.0088087900000000, -0.0113384700000000 ] - [ 0.0000636000000000, 0.0000579200000000, 0.0002006500000000 ] - [ -0.0007553900000000, 0.0000606100000000, -0.0002902400000000 ] - [ -0.0002737400000000, 0.0000001500000000, 0.0003401200000000 ] - [ 0.0001307800000000, 0.0001769000000000, 0.0005147600000000 ] - [ -0.0003841900000000, 0.0000417100000000, -0.0003652000000000 ] - [ -0.0013740700000000, -0.0001729500000000, 0.0001126400000000 ] - [ 0.0017123800000000, 0.0000913400000000, -0.0005015200000000 ] - [ -0.0065734500000000, 0.0201919600000000, 0.0140773400000000 ] - [ -0.0004285800000000, -0.0006524100000000, -0.0002838800000000 ] - [ -0.0004466900000000, -0.0002386000000000, -0.0000064400000000 ] - [ 0.0005238600000000, 0.0010578000000000, -0.0001083000000000 ] - [ 0.0009920600000000, -0.0014373700000000, -0.0002875200000000 ] - [ 0.0004271500000000, 0.0009515500000000, 0.0001886700000000 ] - [ -0.0049017700000000, 0.0009217400000000, -0.0003934400000000 ] - [ -0.0004353400000000, 0.0002271600000000, -0.0003418800000000 ] - [ 0.0009697700000000, -0.0003065200000000, -0.0005266700000000 ] - [ 0.0087785600000000, 0.0072242900000000, -0.0032743300000000 ] - [ -0.0009888000000000, 0.0000349600000000, -0.0009059100000000 ] - [ 0.0003494500000000, 0.0011610900000000, -0.0000905200000000 ] - [ -0.0007141000000000, -0.0005090700000000, 0.0004289300000000 ] - [ -0.0001410900000000, -0.0016802000000000, 0.0003390700000000 ] - [ 0.0007785600000000, -0.0001514400000000, 0.0009192500000000 ] - [ 0.0094535000000000, -0.0112115700000000, 0.0062092400000000 ] - [ -0.0004030700000000, 0.0004834000000000, 0.0004982800000000 ] - [ 0.0087011900000000, 0.0001135400000000, 0.0004589700000000 ] - [ -0.0001194600000000, -0.0007166500000000, 0.0005185900000000 ] - [ -0.0025187300000000, -0.0001359600000000, -0.0006023600000000 ] - [ -0.0005646600000000, -0.0004606400000000, -0.0005180100000000 ] - [ 0.0013578700000000, 0.0005287600000000, 0.0003413800000000 ] - [ 0.0009174800000000, -0.0002384300000000, 0.0000957500000000 ] - [ -0.0514882900000000, 0.0036556600000000, 0.0131552900000000 ] - [ -0.0003528900000000, 0.0002616300000000, 0.0003630100000000 ] - [ 0.0008318300000000, -0.0003022100000000, 0.0006205200000000 ] - [ 0.0043412200000000, 0.0008042900000000, -0.0008436900000000 ] - [ -0.0040275800000000, -0.0016024600000000, -0.0011536300000000 ] - [ 0.0011259800000000, -0.0003022400000000, -0.0000566800000000 ] - [ -0.0028413700000000, -0.0004407500000000, 0.0004503000000000 ] - [ -0.0051019600000000, 0.0006320800000000, 0.0004929700000000 ] - [ 0.0024956500000000, 0.0005418600000000, -0.0000923300000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006533500000000, 0.0014350800000000, -0.0002532500000000 ] - [ 0.0005388100000000, 0.0033640000000000, -0.0026791900000000 ] - [ 0.0021882600000000, 0.0023428500000000, 0.0018556600000000 ] - [ 0.0001620100000000, -0.0014507200000000, 0.0002094800000000 ] - [ -0.0004292700000000, 0.0003953000000000, 0.0001347300000000 ] - [ 0.0021521900000000, -0.0043172100000000, 0.0019422800000000 ] - [ 0.0002552600000000, 0.0015735300000000, 0.0003053900000000 ] - [ -0.0026237700000000, 0.0032543700000000, 0.0009966700000000 ] - [ -0.0005462600000000, 0.0025298800000000, 0.0010064800000000 ] - [ 0.0037604200000000, 0.0026750900000000, -0.0000288900000000 ] - [ 0.0007266200000000, -0.0002679400000000, 0.0008682500000000 ] - [ -0.0017124500000000, -0.0028703800000000, 0.0014735800000000 ] - [ -0.0026148400000000, 0.0026691400000000, 0.0018310500000000 ] - [ 0.0003367300000000, -0.0007711400000000, 0.0009274800000000 ] - [ -0.0010012800000000, 0.0022864400000000, -0.0010014600000000 ] - [ -0.0014147700000000, 0.0031344600000000, -0.0009133000000000 ] - [ -0.0000550800000000, 0.0010951400000000, 0.0001334300000000 ] - [ 0.0149851300000000, 0.0159820700000000, 0.0159604000000000 ] - [ -0.0009503900000000, 0.0015665800000000, 0.0007242300000000 ] - [ 0.0017435900000000, 0.0018915500000000, -0.0007196900000000 ] - [ -0.0008972600000000, -0.0011773200000000, -0.0004771700000000 ] - [ -0.0012535700000000, -0.0018881100000000, 0.0014730000000000 ] - [ -0.0022627800000000, 0.0033340800000000, -0.0012433600000000 ] - [ -0.0024651700000000, -0.0020244500000000, -0.0007705700000000 ] - [ 0.0002268200000000, -0.0005715500000000, 0.0013490900000000 ] - [ -0.0010941000000000, -0.0006548300000000, 0.0010153600000000 ] - [ 0.0001892600000000, 0.0010537800000000, -0.0009393300000000 ] - [ 0.0002022300000000, 0.0016808200000000, 0.0008730900000000 ] - [ 0.0010001700000000, -0.0008679800000000, -0.0013347300000000 ] - [ -0.0057468300000000, 0.0002995100000000, 0.0018270100000000 ] - [ -0.0003128600000000, 0.0007099200000000, -0.0009660500000000 ] - [ 0.0000077400000000, 0.0008606200000000, 0.0009776700000000 ] - [ -0.0010858300000000, -0.0098080300000000, -0.0089094600000000 ] - [ -0.0006138800000000, 0.0001019700000000, 0.0000231800000000 ] - [ 0.0001366400000000, -0.0002266000000000, -0.0007154200000000 ] - [ -0.0005276700000000, 0.0022291600000000, 0.0016188300000000 ] - [ 0.0001386000000000, 0.0002128900000000, 0.0011770500000000 ] - [ -0.0004396300000000, 0.0017875200000000, -0.0013694600000000 ] - [ -0.0007325700000000, -0.0031986700000000, -0.0017445300000000 ] - [ 0.0005644800000000, -0.0008700600000000, -0.0021770800000000 ] - [ 0.0085194500000000, -0.1795340900000000, -0.2320027500000000 ] - [ 0.0003167200000000, 0.0000944400000000, 0.0002391200000000 ] - [ -0.0003203200000000, -0.0001964700000000, 0.0002577200000000 ] - [ -0.0002607700000000, 0.0011655000000000, -0.0001135700000000 ] - [ -0.0004352500000000, -0.0000545400000000, -0.0000785800000000 ] - [ -0.0002188800000000, 0.0010461300000000, 0.0002816300000000 ] - [ 0.0004320000000000, -0.0022644000000000, 0.0011731600000000 ] - [ 0.0003572000000000, 0.0126568100000000, -0.0043948800000000 ] - [ -0.0102152000000000, 0.0078948800000000, 0.0128729200000000 ] - [ -0.0004138600000000, 0.0002189700000000, -0.0003339900000000 ] - [ 0.0011414800000000, -0.0023173500000000, 0.0000956800000000 ] - [ 0.0010611500000000, 0.0024877700000000, 0.0002298500000000 ] - [ 0.0010685300000000, -0.0025637800000000, 0.0009569800000000 ] - [ 0.0014274000000000, 0.0024492700000000, 0.0002522200000000 ] - [ 0.0038330900000000, -0.0022701000000000, -0.0014990000000000 ] - [ -0.0014016300000000, 0.0014801900000000, -0.0003329800000000 ] - [ -0.0002785800000000, -0.0043580400000000, -0.0010545400000000 ] - [ -0.0149898800000000, -0.0086568000000000, 0.0113876500000000 ] - [ -0.0020761300000000, -0.0028504900000000, -0.0026343000000000 ] - [ 0.0001008100000000, 0.0039653900000000, -0.0011601000000000 ] - [ 0.0010106800000000, -0.0025236800000000, -0.0010555500000000 ] - [ -0.0012752000000000, 0.0041522200000000, -0.0026852000000000 ] - [ 0.0027081700000000, -0.0043278300000000, -0.0000801600000000 ] - [ 0.0108055900000000, -0.0092809500000000, 0.0041488400000000 ] - [ 0.0000037200000000, -0.0063886100000000, 0.0097203200000000 ] - [ -0.0010478200000000, 0.0071364200000000, 0.0005660300000000 ] - [ -0.0006526900000000, -0.0032125900000000, 0.0005380700000000 ] - [ -0.0001608000000000, 0.0023061300000000, -0.0014455900000000 ] - [ -0.0006008700000000, -0.0037956100000000, -0.0008307500000000 ] - [ -0.0006062600000000, 0.0017562100000000, 0.0003790900000000 ] - [ 0.0004284000000000, -0.0011133100000000, 0.0001769200000000 ] - [ -0.0038043200000000, 0.1593971200000000, 0.1920440200000000 ] - [ 0.0005708200000000, -0.0036233800000000, -0.0021648400000000 ] - [ 0.0008669500000000, -0.0019894000000000, 0.0016967200000000 ] - [ 0.0037362800000000, 0.0028539000000000, -0.0003919900000000 ] - [ -0.0009977500000000, 0.0022944400000000, 0.0019941400000000 ] - [ -0.0010033100000000, -0.0046205800000000, -0.0016690200000000 ] - [ -0.0005783800000000, -0.0055942600000000, 0.0018630000000000 ] - [ 0.0015546400000000, 0.0083018700000000, 0.0011186300000000 ] - [ 0.0002067200000000, 0.0023778100000000, -0.0005253700000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0009431500000000, -0.0019697300000000, 0.0007319900000000 ] - [ -0.0008344000000000, -0.0028270800000000, 0.0022026000000000 ] - [ -0.0018821100000000, -0.0017947000000000, -0.0013602600000000 ] - [ 0.0001341800000000, 0.0009163000000000, -0.0006785300000000 ] - [ 0.0007163300000000, 0.0001361000000000, -0.0006045900000000 ] - [ -0.0018493800000000, 0.0037581000000000, -0.0014587200000000 ] - [ -0.0005468800000000, -0.0021099100000000, -0.0007858900000000 ] - [ 0.0023185600000000, -0.0027017200000000, -0.0005177200000000 ] - [ 0.0001670600000000, -0.0014822700000000, -0.0002283900000000 ] - [ -0.0041530500000000, -0.0037257200000000, -0.0007488600000000 ] - [ -0.0003437600000000, -0.0007831100000000, -0.0000762400000000 ] - [ 0.0020796000000000, 0.0038941200000000, -0.0022353100000000 ] - [ 0.0029758500000000, -0.0036909400000000, -0.0025934000000000 ] - [ 0.0000414100000000, 0.0018126000000000, -0.0001415700000000 ] - [ 0.0006215300000000, -0.0012417600000000, 0.0002234000000000 ] - [ 0.0010516300000000, -0.0041761000000000, 0.0016772400000000 ] - [ 0.0005342100000000, -0.0010562000000000, 0.0005632100000000 ] - [ -0.0148083100000000, -0.0162382500000000, -0.0170555900000000 ] - [ 0.0004717000000000, -0.0016059900000000, -0.0000200600000000 ] - [ -0.0025911100000000, -0.0036711500000000, 0.0010051400000000 ] - [ 0.0004201000000000, 0.0012191600000000, -0.0002203900000000 ] - [ 0.0007736800000000, 0.0019296500000000, -0.0007644700000000 ] - [ 0.0027287800000000, -0.0032858300000000, 0.0005283500000000 ] - [ 0.0029348000000000, 0.0019856500000000, 0.0014652300000000 ] - [ -0.0006037000000000, 0.0005310200000000, -0.0016692400000000 ] - [ 0.0007206600000000, 0.0006506800000000, -0.0006208500000000 ] - [ 0.0001812200000000, -0.0010502500000000, 0.0005479300000000 ] - [ 0.0001691100000000, -0.0016786700000000, -0.0004879200000000 ] - [ -0.0011667100000000, 0.0008411100000000, 0.0004206400000000 ] - [ 0.0055802400000000, -0.0002996300000000, -0.0009049600000000 ] - [ 0.0004441500000000, -0.0007075100000000, 0.0000458100000000 ] - [ 0.0001265000000000, -0.0008581000000000, -0.0000565400000000 ] - [ 0.0011515700000000, 0.0102822700000000, 0.0084102600000000 ] - [ 0.0007332400000000, -0.0006464400000000, 0.0007836000000000 ] - [ -0.0002565000000000, -0.0003154000000000, -0.0000974100000000 ] - [ 0.0004061600000000, -0.0016783600000000, -0.0008048600000000 ] - [ -0.0002559300000000, -0.0007555400000000, -0.0003652500000000 ] - [ 0.0003189800000000, -0.0012382800000000, 0.0005562800000000 ] - [ 0.0008475100000000, 0.0037343600000000, 0.0025506800000000 ] - [ -0.0004357800000000, 0.0002713700000000, 0.0013339700000000 ] - [ -0.0078688500000000, 0.1796358800000000, 0.2366633300000000 ] - [ 0.0003453200000000, 0.0000417800000000, 0.0005826700000000 ] - [ -0.0003425800000000, 0.0003396900000000, -0.0010847800000000 ] - [ -0.0004030900000000, -0.0013043000000000, 0.0009438400000000 ] - [ -0.0002277100000000, 0.0001999500000000, 0.0009085500000000 ] - [ -0.0004443500000000, -0.0011858100000000, -0.0011080200000000 ] - [ 0.0002304700000000, 0.0021228900000000, -0.0003493700000000 ] - [ 0.0003082500000000, -0.0122967000000000, 0.0035280300000000 ] - [ 0.0094973000000000, -0.0060373200000000, -0.0127951500000000 ] - [ -0.0004408500000000, -0.0019995200000000, 0.0000343200000000 ] - [ -0.0002903300000000, 0.0005362000000000, 0.0002043900000000 ] - [ -0.0002063000000000, -0.0007026400000000, -0.0005246400000000 ] - [ -0.0002136500000000, 0.0007846400000000, -0.0012500500000000 ] - [ -0.0005689500000000, -0.0006657800000000, 0.0000495000000000 ] - [ -0.0046894800000000, 0.0040581200000000, 0.0012031900000000 ] - [ 0.0009205700000000, -0.0015167700000000, -0.0003652000000000 ] - [ 0.0020208200000000, 0.0043663200000000, -0.0003772300000000 ] - [ 0.0167891700000000, 0.0086517100000000, -0.0099933400000000 ] - [ 0.0003205600000000, 0.0028334300000000, 0.0011789800000000 ] - [ -0.0018461800000000, -0.0039520400000000, 0.0025667100000000 ] - [ -0.0027504100000000, 0.0025067600000000, 0.0024743500000000 ] - [ -0.0004714500000000, -0.0041313400000000, 0.0012262600000000 ] - [ -0.0009486300000000, 0.0043348000000000, 0.0015127400000000 ] - [ -0.0090452700000000, 0.0092338400000000, -0.0055437800000000 ] - [ 0.0006737200000000, 0.0071512400000000, -0.0085570700000000 ] - [ 0.0017242600000000, -0.0078756300000000, -0.0016135300000000 ] - [ -0.0000205300000000, 0.0024632700000000, 0.0005220800000000 ] - [ -0.0005157800000000, -0.0015721100000000, 0.0003799400000000 ] - [ -0.0000744500000000, 0.0030480200000000, -0.0002310700000000 ] - [ -0.0000666800000000, -0.0010135600000000, 0.0006790200000000 ] - [ 0.0002465800000000, 0.0018622100000000, -0.0012274300000000 ] - [ 0.0046575200000000, -0.1606826100000000, -0.1966212000000000 ] - [ -0.0001161200000000, 0.0036182400000000, 0.0015553500000000 ] - [ -0.0004095700000000, 0.0019847500000000, -0.0010820300000000 ] - [ -0.0041871900000000, -0.0028441300000000, -0.0002191700000000 ] - [ 0.0006458800000000, -0.0020726700000000, -0.0014509900000000 ] - [ -0.0006938600000000, 0.0046105000000000, 0.0012297900000000 ] - [ -0.0011292300000000, 0.0055880500000000, -0.0014279900000000 ] - [ 0.0001056300000000, -0.0081301700000000, -0.0011209000000000 ] - [ 0.0015074400000000, -0.0023630600000000, 0.0009505900000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000935300000000, 0.0004664400000000, -0.0000459600000000 ] - [ -0.0001297600000000, 0.0015232400000000, -0.0031318400000000 ] - [ 0.0028600600000000, 0.0030135000000000, 0.0025965900000000 ] - [ -0.0001342700000000, -0.0003357300000000, 0.0023829200000000 ] - [ -0.0003673100000000, 0.0000185900000000, 0.0008568600000000 ] - [ 0.0090565800000000, -0.0039482700000000, 0.0134420200000000 ] - [ 0.0000668800000000, 0.0003756200000000, -0.0002959900000000 ] - [ -0.0030013800000000, 0.0038715600000000, 0.0003053000000000 ] - [ -0.0003113300000000, 0.0011173800000000, 0.0003163100000000 ] - [ 0.0024162600000000, 0.0014377400000000, -0.0008429200000000 ] - [ 0.0004001600000000, -0.0008175100000000, 0.0017470100000000 ] - [ -0.0040975400000000, -0.0027503000000000, 0.0062600400000000 ] - [ -0.0035217000000000, 0.0038081000000000, 0.0030404200000000 ] - [ 0.0018770000000000, 0.0002345800000000, 0.0041156100000000 ] - [ -0.0004899500000000, 0.0013480700000000, -0.0007968300000000 ] - [ 0.0005334300000000, 0.0016592300000000, -0.0030722300000000 ] - [ -0.0002823700000000, 0.0007806100000000, -0.0001253500000000 ] - [ 0.0096449800000000, 0.0151380000000000, 0.0001089100000000 ] - [ -0.0006833400000000, 0.0008187700000000, 0.0011092700000000 ] - [ -0.0002344800000000, -0.0006492500000000, -0.0008504100000000 ] - [ -0.0009970700000000, -0.0010573100000000, 0.0001788200000000 ] - [ -0.0019319600000000, -0.0019935700000000, 0.0031786100000000 ] - [ -0.0000558600000000, 0.0006104300000000, -0.0013876400000000 ] - [ -0.0028319700000000, -0.0015812000000000, -0.0017546200000000 ] - [ -0.0008824400000000, -0.0036425100000000, 0.0084323100000000 ] - [ -0.0010619000000000, -0.0001664000000000, 0.0012675200000000 ] - [ 0.0002089900000000, 0.0005063200000000, -0.0010348600000000 ] - [ 0.0002225200000000, 0.0009315700000000, 0.0005298300000000 ] - [ -0.0042945900000000, -0.0030201400000000, 0.0011069200000000 ] - [ -0.0059595300000000, 0.0014825100000000, 0.0008184200000000 ] - [ -0.0001476300000000, 0.0002005000000000, -0.0009082900000000 ] - [ 0.0000077900000000, 0.0004208700000000, 0.0008813400000000 ] - [ -0.0052355500000000, -0.0066177800000000, 0.0340381700000000 ] - [ -0.0010682800000000, 0.0009887400000000, -0.0006808400000000 ] - [ 0.0000193200000000, -0.0007836100000000, -0.0008834600000000 ] - [ -0.0002599100000000, 0.0013308500000000, 0.0012091800000000 ] - [ 0.0000826500000000, -0.0002688600000000, 0.0016441200000000 ] - [ -0.0002450500000000, 0.0010136800000000, -0.0009605400000000 ] - [ -0.0006316500000000, -0.0020695000000000, -0.0015277700000000 ] - [ 0.0004272100000000, -0.0053081800000000, -0.0031150600000000 ] - [ 0.0097983800000000, -0.2277541400000000, -0.4737250700000000 ] - [ 0.0001173200000000, -0.0000920500000000, -0.0002411900000000 ] - [ -0.0002049900000000, -0.0005908000000000, 0.0006174600000000 ] - [ -0.0002543200000000, 0.0004525900000000, 0.0002814300000000 ] - [ -0.0004300200000000, -0.0004136100000000, 0.0009430400000000 ] - [ -0.0002785800000000, 0.0006175400000000, 0.0002084700000000 ] - [ 0.0000308800000000, -0.0008519900000000, -0.0000798200000000 ] - [ 0.0004160700000000, 0.0040365600000000, -0.0053142000000000 ] - [ -0.0117989800000000, 0.0185732300000000, 0.0031659700000000 ] - [ -0.0001632600000000, -0.0000674000000000, -0.0006026300000000 ] - [ 0.0018735900000000, -0.0028956900000000, 0.0007530200000000 ] - [ 0.0009243400000000, 0.0021305900000000, 0.0005858500000000 ] - [ 0.0009553500000000, -0.0023330100000000, 0.0017419400000000 ] - [ 0.0011163300000000, 0.0018726900000000, 0.0004748300000000 ] - [ 0.0012932000000000, -0.0013411600000000, -0.0022092300000000 ] - [ -0.0012838800000000, 0.0011136300000000, -0.0001130100000000 ] - [ 0.0010086100000000, -0.0013175200000000, -0.0001529300000000 ] - [ -0.0096986000000000, -0.0048494700000000, 0.0127107900000000 ] - [ -0.0018505200000000, -0.0017089900000000, -0.0042449300000000 ] - [ 0.0016783100000000, 0.0035370400000000, -0.0061056400000000 ] - [ 0.0009668900000000, -0.0018526200000000, -0.0025452700000000 ] - [ -0.0028239300000000, 0.0062174300000000, -0.0088992400000000 ] - [ 0.0009223100000000, -0.0017178800000000, 0.0011340000000000 ] - [ 0.0097583300000000, -0.0111626000000000, 0.0103256900000000 ] - [ 0.0006526700000000, 0.0010913900000000, 0.0083211300000000 ] - [ 0.0008476300000000, 0.0039823000000000, 0.0026772200000000 ] - [ -0.0003989200000000, -0.0020261600000000, 0.0003072300000000 ] - [ -0.0002294200000000, 0.0016320000000000, -0.0037602900000000 ] - [ -0.0008354400000000, -0.0021615500000000, -0.0011854700000000 ] - [ -0.0012404500000000, 0.0023799000000000, -0.0000844900000000 ] - [ 0.0004258900000000, -0.0011862100000000, 0.0015395600000000 ] - [ -0.0091640900000000, 0.1902324800000000, 0.4056361500000000 ] - [ 0.0003590500000000, -0.0019708100000000, -0.0016646000000000 ] - [ 0.0006582300000000, -0.0004900700000000, 0.0016608300000000 ] - [ 0.0042586400000000, 0.0008366700000000, -0.0007155000000000 ] - [ 0.0114507100000000, 0.0233034900000000, -0.0104354300000000 ] - [ -0.0004265000000000, -0.0027005300000000, -0.0015106900000000 ] - [ -0.0008910500000000, -0.0016146900000000, 0.0016550200000000 ] - [ 0.0012310200000000, 0.0004547900000000, 0.0029704900000000 ] - [ 0.0021686900000000, 0.0005478600000000, -0.0022724600000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0003835400000000, -0.0009972300000000, 0.0005340900000000 ] - [ -0.0001613900000000, -0.0009554600000000, 0.0026272400000000 ] - [ -0.0025228400000000, -0.0024332700000000, -0.0020898900000000 ] - [ 0.0004112800000000, -0.0002144000000000, -0.0028559700000000 ] - [ 0.0006507100000000, 0.0005240700000000, -0.0013336900000000 ] - [ -0.0086009400000000, 0.0033621800000000, -0.0127786900000000 ] - [ -0.0003568600000000, -0.0009061600000000, -0.0001919200000000 ] - [ 0.0026900300000000, -0.0033108600000000, 0.0001960800000000 ] - [ -0.0000691000000000, -0.0000601300000000, 0.0004611000000000 ] - [ -0.0027667700000000, -0.0024536000000000, 0.0000803400000000 ] - [ -0.0000134600000000, -0.0002272600000000, -0.0009568200000000 ] - [ 0.0044098400000000, 0.0037368800000000, -0.0069594500000000 ] - [ 0.0038392300000000, -0.0047862800000000, -0.0037815000000000 ] - [ -0.0014864800000000, 0.0007953000000000, -0.0033179300000000 ] - [ 0.0001129000000000, -0.0002941700000000, 0.0000210400000000 ] - [ -0.0009226600000000, -0.0026641000000000, 0.0038418900000000 ] - [ 0.0007576300000000, -0.0007313500000000, 0.0008174400000000 ] - [ -0.0091075300000000, -0.0152085900000000, -0.0006586900000000 ] - [ 0.0001970800000000, -0.0008433600000000, -0.0004056000000000 ] - [ -0.0006148000000000, -0.0011127400000000, 0.0011544500000000 ] - [ 0.0005040600000000, 0.0010801200000000, -0.0008784300000000 ] - [ 0.0014440700000000, 0.0020099200000000, -0.0024711000000000 ] - [ 0.0005254300000000, -0.0005543500000000, 0.0006957400000000 ] - [ 0.0032927100000000, 0.0015277800000000, 0.0024481800000000 ] - [ 0.0005393800000000, 0.0036633500000000, -0.0088187200000000 ] - [ 0.0006918600000000, 0.0001602200000000, -0.0008878700000000 ] - [ 0.0001569800000000, -0.0004954100000000, 0.0006398900000000 ] - [ 0.0001447900000000, -0.0009180500000000, -0.0001372600000000 ] - [ 0.0041908400000000, 0.0030225200000000, -0.0020026400000000 ] - [ 0.0057800300000000, -0.0014869800000000, 0.0000850800000000 ] - [ 0.0002778200000000, -0.0001935600000000, -0.0000284900000000 ] - [ 0.0001294200000000, -0.0004139700000000, 0.0000571300000000 ] - [ 0.0053373900000000, 0.0072008800000000, -0.0356846500000000 ] - [ 0.0011891600000000, -0.0015263200000000, 0.0014893300000000 ] - [ -0.0001439900000000, 0.0002393000000000, 0.0000576200000000 ] - [ 0.0001272500000000, -0.0007695600000000, -0.0003782900000000 ] - [ -0.0002085000000000, -0.0002763200000000, -0.0008136600000000 ] - [ 0.0001157100000000, -0.0004561800000000, 0.0001342100000000 ] - [ 0.0007461200000000, 0.0025771000000000, 0.0023221300000000 ] - [ -0.0003021800000000, 0.0047899600000000, 0.0023135000000000 ] - [ -0.0096872700000000, 0.2411645900000000, 0.4941176000000000 ] - [ 0.0005437100000000, 0.0002413000000000, 0.0010677800000000 ] - [ -0.0004557100000000, 0.0007364900000000, -0.0014343400000000 ] - [ -0.0004072300000000, -0.0005889200000000, 0.0005389600000000 ] - [ -0.0002318000000000, 0.0005580100000000, -0.0001265900000000 ] - [ -0.0003810500000000, -0.0007579200000000, -0.0010275100000000 ] - [ 0.0006308500000000, 0.0006811500000000, 0.0009184600000000 ] - [ 0.0002479800000000, -0.0038948200000000, 0.0044513200000000 ] - [ 0.0109826500000000, -0.0168989300000000, -0.0027756600000000 ] - [ -0.0006887700000000, -0.0016992200000000, 0.0003003000000000 ] - [ -0.0010111400000000, 0.0011017700000000, -0.0004562200000000 ] - [ -0.0000616100000000, -0.0003341000000000, -0.0008775700000000 ] - [ -0.0000909700000000, 0.0005326500000000, -0.0020289800000000 ] - [ -0.0002454000000000, -0.0000774300000000, -0.0001715700000000 ] - [ -0.0021118300000000, 0.0031033300000000, 0.0019023800000000 ] - [ 0.0007883300000000, -0.0011354000000000, -0.0005830500000000 ] - [ 0.0007406800000000, 0.0013101800000000, -0.0012810300000000 ] - [ 0.0113540200000000, 0.0047431400000000, -0.0112346600000000 ] - [ 0.0000795000000000, 0.0016551700000000, 0.0027817700000000 ] - [ -0.0033867200000000, -0.0034623900000000, 0.0075140700000000 ] - [ -0.0026874100000000, 0.0018045600000000, 0.0039505900000000 ] - [ 0.0010689000000000, -0.0061576300000000, 0.0074652500000000 ] - [ 0.0008332100000000, 0.0017103800000000, 0.0002987700000000 ] - [ -0.0079294800000000, 0.0110763400000000, -0.0117661200000000 ] - [ 0.0000165900000000, -0.0003401000000000, -0.0072703700000000 ] - [ -0.0001876500000000, -0.0046770500000000, -0.0037280000000000 ] - [ -0.0002768200000000, 0.0012459900000000, 0.0007545400000000 ] - [ -0.0004473900000000, -0.0008451600000000, 0.0026928400000000 ] - [ 0.0001574400000000, 0.0013762000000000, 0.0001232200000000 ] - [ 0.0005668700000000, -0.0016054900000000, 0.0011459500000000 ] - [ 0.0002479200000000, 0.0019289200000000, -0.0025915000000000 ] - [ 0.0103988500000000, -0.2049497900000000, -0.4261379300000000 ] - [ 0.0000990900000000, 0.0019474700000000, 0.0010322000000000 ] - [ -0.0001954000000000, 0.0004744900000000, -0.0010312700000000 ] - [ -0.0046831500000000, -0.0008074900000000, 0.0001274500000000 ] - [ -0.0120147500000000, -0.0234469200000000, 0.0110159700000000 ] - [ -0.0012724500000000, 0.0026646700000000, 0.0010582000000000 ] - [ -0.0008115300000000, 0.0015695000000000, -0.0011982800000000 ] - [ 0.0003756800000000, 0.0001830300000000, -0.0027647600000000 ] - [ -0.0004674300000000, -0.0005305100000000, 0.0026825900000000 ]- atom: 57 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.1253297100000000, 0.0899146800000000, -0.1441948400000000 ] - [ -0.0033736300000000, 0.0027788500000000, -0.0016182200000000 ] - [ 0.0029344600000000, 0.0001854700000000, 0.0006909200000000 ] - [ -0.0010114700000000, 0.0005069400000000, -0.0001370900000000 ] - [ -0.0024324600000000, -0.0001885800000000, 0.0007181200000000 ] - [ 0.0011190200000000, -0.0005751500000000, 0.0002502600000000 ] - [ -0.0101310000000000, -0.0023788800000000, -0.0016563900000000 ] - [ 0.0025907100000000, -0.0032590200000000, -0.0015200800000000 ] - [ 0.1912818600000000, -0.0957379200000000, -0.1678601000000000 ] - [ -0.0030045900000000, -0.0018952700000000, -0.0015833300000000 ] - [ 0.0029476300000000, -0.0004396700000000, 0.0007009800000000 ] - [ -0.0010917300000000, 0.0003862500000000, -0.0003220100000000 ] - [ -0.0021849200000000, -0.0005261800000000, 0.0001661900000000 ] - [ 0.0016867500000000, 0.0011350400000000, 0.0005519000000000 ] - [ -0.0121385000000000, 0.0002570600000000, -0.0018843100000000 ] - [ 0.0032384400000000, 0.0032407600000000, -0.0018293300000000 ] - [ 0.0895738100000000, -0.0398621500000000, 0.0532468300000000 ] - [ -0.0009689400000000, -0.0004304300000000, -0.0003390200000000 ] - [ 0.0025126700000000, -0.0016025300000000, -0.0017205500000000 ] - [ 0.0566329600000000, 0.0417699700000000, 0.0252056800000000 ] - [ -0.0010997600000000, -0.0005472600000000, -0.0004718900000000 ] - [ 0.0009241500000000, 0.0011174400000000, 0.0002565900000000 ] - [ -0.0218459200000000, 0.0063436200000000, 0.0039298900000000 ] - [ 0.0020045500000000, 0.0009918300000000, 0.0001454900000000 ] - [ 0.0001454800000000, -0.0011398300000000, -0.0023637800000000 ] - [ -0.0010355600000000, 0.0018835600000000, -0.0027793300000000 ] - [ 0.0026470100000000, -0.0058935300000000, -0.0078729300000000 ] - [ -0.0046069600000000, 0.0039710500000000, -0.0049769400000000 ] - [ 0.0035030700000000, -0.0029521500000000, -0.0020573400000000 ] - [ -0.0054940500000000, 0.0018171100000000, -0.0000607100000000 ] - [ 0.0091664100000000, 0.0033912300000000, 0.0018322700000000 ] - [ -0.0049117000000000, -0.0001255900000000, -0.0005998500000000 ] - [ -0.0000711700000000, -0.0022895100000000, 0.0004422200000000 ] - [ -0.0099740000000000, 0.0196391200000000, -0.0126096800000000 ] - [ 0.0009439500000000, -0.0019892700000000, -0.0030780000000000 ] - [ -0.0004339200000000, 0.0010878900000000, -0.0013041000000000 ] - [ 0.0001938100000000, 0.0015035000000000, -0.0012263100000000 ] - [ 0.0011523300000000, -0.0014894800000000, -0.0025241500000000 ] - [ -0.0000510900000000, 0.0043035000000000, 0.0017264300000000 ] - [ -0.0037701400000000, -0.0098691900000000, -0.0075381100000000 ] - [ 0.0002369500000000, -0.0012302800000000, -0.0002773200000000 ] - [ -0.0075939800000000, 0.0159708400000000, 0.0109045700000000 ] - [ -0.0002107800000000, -0.0011231700000000, 0.0005580900000000 ] - [ -0.0015639400000000, -0.0010516600000000, 0.0029525200000000 ] - [ -0.0004937800000000, 0.0019606800000000, 0.0022411700000000 ] - [ -0.0010526500000000, 0.0003284600000000, 0.0015453100000000 ] - [ 0.0004260700000000, 0.0017514800000000, 0.0003611600000000 ] - [ -0.0082792400000000, -0.0098502000000000, 0.0084651600000000 ] - [ 0.0012807600000000, -0.0000605800000000, -0.0002872400000000 ] - [ -0.0217061200000000, -0.0067436800000000, 0.0004743200000000 ] - [ 0.0015970700000000, -0.0015723700000000, 0.0001973300000000 ] - [ -0.0030085600000000, -0.0017274200000000, -0.0007218000000000 ] - [ -0.0009339700000000, 0.0004168100000000, -0.0001173700000000 ] - [ 0.0041371800000000, 0.0028145800000000, -0.0014398300000000 ] - [ -0.0023506300000000, 0.0026132800000000, -0.0001858200000000 ] - [ -0.0026517400000000, 0.0014695700000000, -0.0014297700000000 ] - [ -0.5612362300000000, 0.0094874600000000, 0.2479183200000000 ] - [ 0.0058985900000000, -0.0016829900000000, 0.0020907600000000 ] - [ -0.0094525700000000, -0.0005813100000000, 0.0019548200000000 ] - [ 0.0017583700000000, -0.0012121700000000, 0.0010925200000000 ] - [ 0.0063543600000000, 0.0012690600000000, 0.0024363700000000 ] - [ -0.0033892600000000, 0.0000405300000000, -0.0003385800000000 ] - [ 0.0371769200000000, 0.0020719400000000, -0.0038516600000000 ] - [ -0.0064837600000000, 0.0003278700000000, 0.0032766600000000 ] - [ 0.0658179900000000, 0.0431075800000000, 0.0007523100000000 ] - [ 0.0014158900000000, -0.0038262500000000, -0.0013596900000000 ] - [ -0.0014661800000000, -0.0024326700000000, 0.0010210800000000 ] - [ 0.0003964200000000, -0.0020040400000000, -0.0012400600000000 ] - [ 0.0019276200000000, 0.0028610600000000, -0.0002557800000000 ] - [ -0.0014635100000000, 0.0017608900000000, -0.0000420300000000 ] - [ 0.0674556500000000, -0.0587803400000000, 0.0065960100000000 ] - [ -0.0002103800000000, 0.0016095000000000, -0.0000594500000000 ] - [ 0.0051921600000000, -0.0039569600000000, 0.0080380200000000 ] - [ -0.0127899500000000, 0.0050212400000000, 0.0133025500000000 ] - [ 0.0071732800000000, -0.0119604300000000, 0.0052541100000000 ] - [ -0.0033697100000000, 0.0100450500000000, 0.0059376300000000 ] - [ 0.0147263200000000, 0.0163272200000000, -0.0089108800000000 ] - [ 0.0152396300000000, -0.0233180000000000, -0.0139939700000000 ] - [ 0.0034435200000000, 0.0035833400000000, -0.0041229100000000 ] - [ -0.0028451100000000, -0.0047571700000000, -0.0044720400000000 ]- atom: 57 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1261960300000000, -0.0885705600000000, 0.1415045500000000 ] - [ 0.0030622300000000, -0.0022273000000000, 0.0011038900000000 ] - [ -0.0026437000000000, 0.0003557800000000, -0.0001873700000000 ] - [ 0.0013056100000000, -0.0010534400000000, -0.0003652500000000 ] - [ 0.0027222600000000, 0.0007364900000000, -0.0012113400000000 ] - [ -0.0008239500000000, 0.0000247600000000, 0.0002520900000000 ] - [ 0.0098476900000000, 0.0018198500000000, 0.0011276100000000 ] - [ -0.0028739200000000, 0.0038109600000000, 0.0020241500000000 ] - [ -0.1954150000000000, 0.1014879500000000, 0.1764211300000000 ] - [ 0.0026254100000000, 0.0008365600000000, 0.0008104500000000 ] - [ -0.0025664100000000, -0.0006115600000000, 0.0000727900000000 ] - [ 0.0014592100000000, 0.0006511700000000, -0.0004407700000000 ] - [ 0.0025513200000000, -0.0005121000000000, -0.0009296800000000 ] - [ -0.0013156600000000, -0.0000955400000000, 0.0002119800000000 ] - [ 0.0117064300000000, 0.0007776600000000, 0.0011045400000000 ] - [ -0.0036068800000000, -0.0042725100000000, 0.0025906200000000 ] - [ -0.0845871700000000, 0.0361141500000000, -0.0489305700000000 ] - [ 0.0014367200000000, 0.0003755500000000, -0.0003577800000000 ] - [ -0.0030039500000000, 0.0015679200000000, 0.0024190900000000 ] - [ -0.0586381400000000, -0.0460838900000000, -0.0260027000000000 ] - [ 0.0006214900000000, 0.0005864000000000, -0.0002270200000000 ] - [ -0.0014013100000000, -0.0010755700000000, 0.0004418300000000 ] - [ 0.0222867400000000, -0.0062125100000000, -0.0046520100000000 ] - [ -0.0015251200000000, -0.0010374200000000, 0.0005516300000000 ] - [ -0.0005069700000000, 0.0011343300000000, 0.0019657500000000 ] - [ 0.0006766700000000, -0.0018895100000000, 0.0031833400000000 ] - [ -0.0022419400000000, 0.0058256300000000, 0.0073849900000000 ] - [ 0.0049800700000000, -0.0040143500000000, 0.0053899400000000 ] - [ -0.0036332600000000, 0.0029432500000000, 0.0011075200000000 ] - [ 0.0053703100000000, -0.0018191100000000, 0.0010017500000000 ] - [ -0.0089883200000000, -0.0033605600000000, -0.0027669800000000 ] - [ 0.0050492700000000, 0.0001194000000000, 0.0015560500000000 ] - [ 0.0001964000000000, 0.0028186100000000, -0.0012535700000000 ] - [ 0.0101309100000000, -0.0202620200000000, 0.0134648400000000 ] - [ -0.0010617300000000, 0.0014330800000000, 0.0022290900000000 ] - [ 0.0002992700000000, -0.0005373300000000, 0.0021583100000000 ] - [ -0.0003289900000000, -0.0020635700000000, 0.0020663100000000 ] - [ -0.0012668000000000, 0.0020393100000000, 0.0016819700000000 ] - [ 0.0001759500000000, -0.0037806600000000, -0.0009117700000000 ] - [ 0.0037930000000000, 0.0092496500000000, 0.0066655000000000 ] - [ 0.0004235500000000, 0.0010728300000000, -0.0005429500000000 ] - [ 0.0082600300000000, -0.0158075800000000, -0.0101419300000000 ] - [ -0.0004455500000000, 0.0012709300000000, -0.0013743200000000 ] - [ 0.0008889000000000, 0.0008984400000000, -0.0021136700000000 ] - [ -0.0001685200000000, -0.0018022400000000, -0.0014137300000000 ] - [ 0.0004061200000000, -0.0004769100000000, -0.0023539300000000 ] - [ 0.0002368400000000, -0.0019031900000000, 0.0004544400000000 ] - [ 0.0088800800000000, 0.0099964400000000, -0.0092208300000000 ] - [ -0.0021340300000000, 0.0018336400000000, 0.0005850600000000 ] - [ 0.0209397400000000, 0.0050264800000000, -0.0007949700000000 ] - [ -0.0007417600000000, -0.0002080100000000, 0.0000994100000000 ] - [ 0.0038574600000000, 0.0035081800000000, 0.0004335900000000 ] - [ 0.0017876500000000, -0.0021956900000000, -0.0001784200000000 ] - [ -0.0032628400000000, -0.0010268800000000, 0.0017411300000000 ] - [ 0.0015001700000000, -0.0008438300000000, -0.0001166600000000 ] - [ 0.0021780900000000, -0.0015095300000000, 0.0007308800000000 ] - [ 0.5637909600000000, -0.0088207500000000, -0.2566611900000000 ] - [ -0.0041344600000000, 0.0016911000000000, -0.0006395300000000 ] - [ 0.0076978300000000, 0.0005677400000000, -0.0033929600000000 ] - [ -0.0035072700000000, 0.0012334400000000, 0.0003428000000000 ] - [ -0.0081016700000000, -0.0012943000000000, -0.0010075400000000 ] - [ 0.0016335400000000, -0.0000187300000000, -0.0011001200000000 ] - [ -0.0354245100000000, -0.0021152600000000, 0.0053683500000000 ] - [ 0.0082234900000000, -0.0003470200000000, -0.0047155300000000 ] - [ -0.0650427800000000, -0.0428441700000000, 0.0001848900000000 ] - [ -0.0007495300000000, 0.0030804400000000, 0.0003068200000000 ] - [ 0.0007616900000000, 0.0016494900000000, 0.0000452100000000 ] - [ -0.0010671400000000, 0.0027676500000000, 0.0001600100000000 ] - [ -0.0025802000000000, -0.0036404300000000, -0.0008451000000000 ] - [ 0.0007809700000000, -0.0009919000000000, 0.0011109700000000 ] - [ -0.0666092100000000, 0.0591679000000000, -0.0073272200000000 ] - [ 0.0008900700000000, -0.0023489000000000, 0.0011185800000000 ] - [ -0.0047327200000000, 0.0039904600000000, -0.0087189200000000 ] - [ 0.0131385100000000, -0.0050445200000000, -0.0125787500000000 ] - [ -0.0076362600000000, 0.0119610200000000, -0.0058630700000000 ] - [ 0.0029051500000000, -0.0100016600000000, -0.0053073400000000 ] - [ -0.0164785500000000, -0.0161940400000000, 0.0084069200000000 ] - [ -0.0168337700000000, 0.0233214300000000, 0.0144878900000000 ] - [ -0.0017330100000000, -0.0035815100000000, 0.0036856300000000 ] - [ 0.0045312600000000, 0.0047505200000000, 0.0048911600000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0873164200000000, 0.1600874500000000, -0.1693186400000000 ] - [ 0.0013117000000000, -0.0027801200000000, 0.0004883400000000 ] - [ 0.0004717800000000, 0.0022669900000000, 0.0026631900000000 ] - [ 0.0011539800000000, -0.0033170000000000, -0.0012738900000000 ] - [ 0.0007048800000000, 0.0023822400000000, -0.0023315800000000 ] - [ 0.0014680500000000, -0.0035565200000000, 0.0010869700000000 ] - [ 0.0060859400000000, 0.0080578100000000, 0.0030990000000000 ] - [ 0.0009407600000000, -0.0067191300000000, -0.0009912700000000 ] - [ -0.1027088900000000, 0.1267273300000000, 0.1215023200000000 ] - [ -0.0027659500000000, -0.0047508800000000, -0.0021071300000000 ] - [ 0.0003754800000000, 0.0017959400000000, -0.0018786900000000 ] - [ -0.0012172000000000, -0.0029107200000000, 0.0009456300000000 ] - [ -0.0007394400000000, 0.0016596500000000, 0.0007014900000000 ] - [ -0.0007610700000000, -0.0032877900000000, -0.0013634600000000 ] - [ -0.0077353300000000, 0.0115474200000000, -0.0052757700000000 ] - [ -0.0004935500000000, -0.0065765600000000, 0.0012115200000000 ] - [ -0.0463690900000000, 0.0661599000000000, -0.0383044000000000 ] - [ -0.0024514000000000, -0.0049732000000000, 0.0001656000000000 ] - [ -0.0029743800000000, 0.0060734500000000, -0.0009721800000000 ] - [ 0.0387999200000000, 0.1216092800000000, 0.0506343800000000 ] - [ -0.0028570500000000, -0.0044083200000000, -0.0009385000000000 ] - [ -0.0020887800000000, -0.0037979200000000, 0.0007619600000000 ] - [ -0.0235604500000000, 0.0169131100000000, 0.0054297400000000 ] - [ -0.0035350700000000, -0.0062891900000000, -0.0007190300000000 ] - [ -0.0006412700000000, -0.0021749700000000, -0.0035193700000000 ] - [ -0.0000839900000000, -0.0018174800000000, 0.0021148200000000 ] - [ -0.0057351100000000, -0.0047805300000000, -0.0094647500000000 ] - [ 0.0051264300000000, -0.0016563500000000, 0.0039933200000000 ] - [ 0.0004699400000000, -0.0051857300000000, -0.0034802200000000 ] - [ 0.0005090300000000, -0.0025558300000000, 0.0017255600000000 ] - [ -0.0021633500000000, -0.0021367200000000, -0.0056452100000000 ] - [ -0.0004108100000000, 0.0006366400000000, 0.0022501500000000 ] - [ -0.0012229300000000, -0.0070483900000000, 0.0028573100000000 ] - [ 0.0041902300000000, -0.0088936900000000, 0.0071065900000000 ] - [ -0.0021247700000000, -0.0051173000000000, -0.0055640800000000 ] - [ 0.0007884000000000, 0.0055625200000000, 0.0039714800000000 ] - [ -0.0002403500000000, -0.0029926000000000, 0.0029336000000000 ] - [ -0.0019881900000000, 0.0070720900000000, -0.0030493700000000 ] - [ -0.0008377900000000, -0.0054951500000000, -0.0020137000000000 ] - [ -0.0049212400000000, -0.0150476300000000, -0.0093037200000000 ] - [ 0.0006456700000000, -0.0044332300000000, -0.0017323900000000 ] - [ 0.0075497500000000, -0.0086117700000000, -0.0044072200000000 ] - [ -0.0003722800000000, -0.0027647400000000, 0.0012655800000000 ] - [ 0.0008191600000000, 0.0038839400000000, -0.0030825000000000 ] - [ 0.0001714700000000, -0.0024389100000000, -0.0014200100000000 ] - [ -0.0020055500000000, 0.0040670100000000, 0.0057579800000000 ] - [ 0.0004859300000000, -0.0044041900000000, 0.0021322900000000 ] - [ -0.0108640800000000, -0.0092002800000000, 0.0107134900000000 ] - [ 0.0035332800000000, -0.0057932400000000, 0.0009287700000000 ] - [ 0.0136007300000000, 0.0054908800000000, 0.0008652300000000 ] - [ 0.0027155800000000, -0.0054575200000000, -0.0004354500000000 ] - [ 0.0028557500000000, 0.0060397400000000, -0.0006447600000000 ] - [ 0.0022503500000000, -0.0045924700000000, 0.0001079400000000 ] - [ 0.0034515800000000, 0.0072443200000000, 0.0010390700000000 ] - [ 0.0015387400000000, -0.0036909400000000, -0.0005232100000000 ] - [ -0.0031989200000000, 0.0056550200000000, 0.0001235700000000 ] - [ 0.0111222000000000, -0.5429257600000000, 0.0449013800000000 ] - [ 0.0025692300000000, 0.0088198500000000, 0.0009995900000000 ] - [ -0.0014480300000000, -0.0096975000000000, -0.0005420100000000 ] - [ 0.0003490400000000, 0.0076972000000000, 0.0011710500000000 ] - [ 0.0004024100000000, -0.0075791700000000, 0.0021004800000000 ] - [ -0.0009088700000000, 0.0085918900000000, -0.0003156200000000 ] - [ 0.0029544000000000, -0.0307105100000000, -0.0033127200000000 ] - [ 0.0005347000000000, 0.0157983700000000, 0.0003468900000000 ] - [ 0.0734724900000000, 0.0304640700000000, -0.0082647500000000 ] - [ 0.0007280000000000, 0.0109447600000000, -0.0006860500000000 ] - [ -0.0012779500000000, -0.0140929500000000, -0.0049589600000000 ] - [ -0.0012493300000000, 0.0076056500000000, -0.0008725300000000 ] - [ -0.0006835500000000, -0.0151351500000000, 0.0008494200000000 ] - [ -0.0005776400000000, 0.0091541900000000, 0.0010570100000000 ] - [ -0.0440364700000000, 0.0368816900000000, -0.0107705600000000 ] - [ -0.0016975900000000, 0.0115768100000000, -0.0005077600000000 ] - [ -0.0022456100000000, -0.0004600900000000, -0.0081665300000000 ] - [ 0.0095115600000000, 0.0001368700000000, 0.0202326800000000 ] - [ -0.0022128200000000, 0.0105197300000000, -0.0046211500000000 ] - [ -0.0002151600000000, 0.0154938700000000, 0.0079078300000000 ] - [ 0.0228254400000000, 0.0146405400000000, -0.0100722800000000 ] - [ -0.0201433600000000, 0.0162940500000000, 0.0144674700000000 ] - [ 0.0014876800000000, 0.0072992400000000, -0.0057581000000000 ] - [ -0.0015233900000000, 0.0074066500000000, 0.0059988300000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0844871600000000, -0.1593378800000000, 0.1639328400000000 ] - [ -0.0016082600000000, 0.0033259300000000, -0.0009812500000000 ] - [ -0.0001892300000000, -0.0017437200000000, -0.0021820300000000 ] - [ -0.0008636500000000, 0.0027697900000000, 0.0007821500000000 ] - [ -0.0004208600000000, -0.0018529500000000, 0.0018467900000000 ] - [ -0.0011752400000000, 0.0030057500000000, -0.0005977400000000 ] - [ -0.0063877400000000, -0.0085703000000000, -0.0035784700000000 ] - [ -0.0012422500000000, 0.0072250200000000, 0.0014887300000000 ] - [ 0.0996214900000000, -0.1259463600000000, -0.1177028400000000 ] - [ 0.0023833600000000, 0.0037076800000000, 0.0013423800000000 ] - [ 0.0000097900000000, -0.0028631500000000, 0.0026727900000000 ] - [ 0.0015946700000000, 0.0039461700000000, -0.0017203400000000 ] - [ 0.0011252400000000, -0.0027160600000000, -0.0014833100000000 ] - [ 0.0011365200000000, 0.0043237200000000, 0.0021381500000000 ] - [ 0.0073618300000000, -0.0104652300000000, 0.0044855200000000 ] - [ 0.0001292100000000, 0.0055100600000000, -0.0004440900000000 ] - [ 0.0490149100000000, -0.0671279800000000, 0.0406843300000000 ] - [ 0.0029304600000000, 0.0049239300000000, -0.0008627500000000 ] - [ 0.0024922000000000, -0.0061228000000000, 0.0016732400000000 ] - [ -0.0443629500000000, -0.1296190800000000, -0.0538038900000000 ] - [ 0.0023721600000000, 0.0044404000000000, 0.0002336400000000 ] - [ 0.0016124700000000, 0.0038385300000000, -0.0000635900000000 ] - [ 0.0240996500000000, -0.0168901900000000, -0.0061758800000000 ] - [ 0.0039952400000000, 0.0062191900000000, 0.0014111000000000 ] - [ 0.0002819900000000, 0.0021627700000000, 0.0031247000000000 ] - [ -0.0002838600000000, 0.0018053100000000, -0.0017150800000000 ] - [ 0.0060021000000000, 0.0047024200000000, 0.0088981200000000 ] - [ -0.0047153500000000, 0.0016638500000000, -0.0035816200000000 ] - [ -0.0005810500000000, 0.0051944600000000, 0.0025687900000000 ] - [ -0.0006314800000000, 0.0025456500000000, -0.0007951200000000 ] - [ 0.0023211700000000, 0.0021589200000000, 0.0046728300000000 ] - [ 0.0005497100000000, -0.0006240300000000, -0.0013064400000000 ] - [ 0.0013550300000000, 0.0075661800000000, -0.0036587300000000 ] - [ -0.0040535300000000, 0.0082723200000000, -0.0062627600000000 ] - [ 0.0019971000000000, 0.0045468200000000, 0.0046891200000000 ] - [ -0.0009215700000000, -0.0049888100000000, -0.0031322300000000 ] - [ 0.0001196400000000, 0.0024542000000000, -0.0021111300000000 ] - [ 0.0018497700000000, -0.0064701100000000, 0.0021702700000000 ] - [ 0.0009557900000000, 0.0060084200000000, 0.0028153900000000 ] - [ 0.0049770300000000, 0.0143705900000000, 0.0084260600000000 ] - [ 0.0000183200000000, 0.0042716200000000, 0.0009064100000000 ] - [ -0.0069143400000000, 0.0087010400000000, 0.0051693000000000 ] - [ -0.0002895800000000, 0.0029258300000000, -0.0021032300000000 ] - [ -0.0014837400000000, -0.0040264500000000, 0.0039203500000000 ] - [ -0.0008301400000000, 0.0025974500000000, 0.0022428100000000 ] - [ 0.0013665700000000, -0.0042094000000000, -0.0066215100000000 ] - [ 0.0001697200000000, 0.0042386300000000, -0.0013071400000000 ] - [ 0.0115601600000000, 0.0093185300000000, -0.0115081700000000 ] - [ -0.0043701500000000, 0.0075473200000000, -0.0006280300000000 ] - [ -0.0143378700000000, -0.0072679600000000, -0.0011699900000000 ] - [ -0.0018586600000000, 0.0036713800000000, 0.0007270600000000 ] - [ -0.0020004700000000, -0.0042616100000000, 0.0003484900000000 ] - [ -0.0013932000000000, 0.0028117600000000, -0.0004057300000000 ] - [ -0.0025878800000000, -0.0054660000000000, -0.0007358200000000 ] - [ -0.0023932500000000, 0.0054617400000000, 0.0002242500000000 ] - [ 0.0027252400000000, -0.0057005600000000, -0.0008252900000000 ] - [ -0.0070239900000000, 0.5497483900000000, -0.0415860800000000 ] - [ -0.0008093600000000, -0.0088251700000000, 0.0004414800000000 ] - [ -0.0002966400000000, 0.0097209600000000, -0.0008976600000000 ] - [ -0.0020943200000000, -0.0076694700000000, 0.0002672900000000 ] - [ -0.0021590300000000, 0.0075793700000000, -0.0006653200000000 ] - [ -0.0008469800000000, -0.0085634500000000, -0.0011196800000000 ] - [ -0.0012363500000000, 0.0306994000000000, 0.0047959300000000 ] - [ 0.0012056300000000, -0.0157302800000000, -0.0017764600000000 ] - [ -0.0732206900000000, -0.0298868900000000, 0.0091773200000000 ] - [ -0.0000398500000000, -0.0116618500000000, -0.0003680400000000 ] - [ 0.0005878900000000, 0.0133134000000000, 0.0060661200000000 ] - [ 0.0005707300000000, -0.0068536600000000, -0.0001951700000000 ] - [ 0.0000158300000000, 0.0143764500000000, -0.0019235500000000 ] - [ -0.0000981700000000, -0.0083800600000000, 0.0000322400000000 ] - [ 0.0449324700000000, -0.0359818200000000, 0.0098656400000000 ] - [ 0.0023516200000000, -0.0123065200000000, 0.0015630700000000 ] - [ 0.0026805900000000, 0.0004207500000000, 0.0074913800000000 ] - [ -0.0090744300000000, -0.0002012000000000, -0.0193248600000000 ] - [ 0.0017525000000000, -0.0104843500000000, 0.0040072200000000 ] - [ -0.0003017500000000, -0.0154399500000000, -0.0072978500000000 ] - [ -0.0244614600000000, -0.0147641200000000, 0.0095241500000000 ] - [ 0.0183692900000000, -0.0164097500000000, -0.0139724900000000 ] - [ 0.0002108900000000, -0.0072819400000000, 0.0053337400000000 ] - [ 0.0032405100000000, -0.0073809500000000, -0.0055698300000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.1301445800000000, -0.1565451300000000, 0.2893578900000000 ] - [ 0.0019123100000000, -0.0018184000000000, 0.0019008900000000 ] - [ 0.0008836500000000, 0.0011299400000000, -0.0032818600000000 ] - [ -0.0001104600000000, -0.0000997400000000, -0.0004551100000000 ] - [ -0.0004537700000000, -0.0003658000000000, -0.0004401400000000 ] - [ 0.0004152800000000, -0.0003312900000000, -0.0000658900000000 ] - [ 0.0045963500000000, 0.0005036100000000, 0.0035849400000000 ] - [ -0.0023715300000000, 0.0062173500000000, 0.0043621200000000 ] - [ -0.1792792500000000, 0.1214547500000000, 0.2504285700000000 ] - [ 0.0020758200000000, 0.0018699400000000, 0.0030216100000000 ] - [ 0.0004531700000000, -0.0014988800000000, -0.0031872700000000 ] - [ -0.0001448100000000, 0.0005190900000000, -0.0006767200000000 ] - [ -0.0001875600000000, -0.0007330600000000, -0.0012801600000000 ] - [ 0.0005978100000000, 0.0005322400000000, -0.0000248600000000 ] - [ 0.0051102400000000, -0.0032472500000000, 0.0072199900000000 ] - [ -0.0024177300000000, -0.0044749300000000, 0.0040967900000000 ] - [ 0.0464462400000000, -0.0322562900000000, 0.0811857000000000 ] - [ -0.0001446100000000, -0.0006586900000000, 0.0003974600000000 ] - [ 0.0000811900000000, -0.0010479100000000, -0.0045978500000000 ] - [ 0.0132831400000000, 0.0404224000000000, 0.0661900700000000 ] - [ -0.0002568700000000, 0.0002288700000000, -0.0010965100000000 ] - [ -0.0002050000000000, -0.0001127600000000, -0.0004054400000000 ] - [ -0.0121000900000000, 0.0064425500000000, 0.0057600900000000 ] - [ 0.0008643400000000, 0.0010468600000000, 0.0019171100000000 ] - [ -0.0001002300000000, -0.0007420900000000, -0.0019504500000000 ] - [ -0.0005265400000000, 0.0009888200000000, -0.0019820200000000 ] - [ -0.0028449400000000, -0.0027245000000000, 0.0069862600000000 ] - [ 0.0020249600000000, -0.0010911100000000, 0.0072917200000000 ] - [ 0.0013262000000000, -0.0020104600000000, -0.0013294900000000 ] - [ -0.0027329700000000, 0.0011893500000000, 0.0000581400000000 ] - [ -0.0044109600000000, -0.0042728100000000, -0.0043546900000000 ] - [ 0.0021279700000000, 0.0009769300000000, 0.0012716500000000 ] - [ -0.0003286400000000, -0.0015512300000000, 0.0003853300000000 ] - [ -0.0054503200000000, 0.0100925100000000, -0.0060820800000000 ] - [ -0.0018425700000000, -0.0025413700000000, -0.0022100100000000 ] - [ -0.0042810000000000, 0.0018544800000000, -0.0032389000000000 ] - [ -0.0002083800000000, 0.0016331300000000, -0.0004551800000000 ] - [ -0.0015367100000000, 0.0006382100000000, -0.0055981500000000 ] - [ 0.0001142500000000, 0.0026431300000000, 0.0012864800000000 ] - [ -0.0029529200000000, -0.0062037600000000, -0.0044585200000000 ] - [ 0.0001407700000000, -0.0004067600000000, 0.0001546600000000 ] - [ -0.0036936900000000, 0.0107666100000000, 0.0123647500000000 ] - [ -0.0005215900000000, 0.0019788200000000, -0.0039362100000000 ] - [ 0.0004813400000000, 0.0017831200000000, -0.0063902400000000 ] - [ -0.0000407400000000, -0.0016906900000000, -0.0028264100000000 ] - [ 0.0007041700000000, -0.0020394800000000, -0.0085906500000000 ] - [ 0.0005311800000000, 0.0007309300000000, 0.0008243500000000 ] - [ -0.0065936600000000, -0.0047832000000000, 0.0106637200000000 ] - [ -0.0009716100000000, 0.0006899500000000, 0.0013850100000000 ] - [ -0.0165998100000000, -0.0032946100000000, 0.0013957800000000 ] - [ 0.0003383900000000, -0.0011935500000000, -0.0007153600000000 ] - [ -0.0012796200000000, -0.0003893500000000, -0.0019814200000000 ] - [ 0.0003625100000000, -0.0006639800000000, -0.0008449200000000 ] - [ -0.0000031100000000, 0.0015701100000000, -0.0052447000000000 ] - [ -0.0006504100000000, 0.0015427500000000, 0.0006051900000000 ] - [ -0.0012083600000000, -0.0004911100000000, -0.0028349600000000 ] - [ 0.2527945000000000, 0.0362977600000000, -0.7063866900000000 ] - [ -0.0004905400000000, 0.0002654500000000, -0.0031505800000000 ] - [ -0.0035549500000000, -0.0002181400000000, 0.0122493200000000 ] - [ -0.0004998700000000, -0.0004520900000000, 0.0011991200000000 ] - [ 0.0008507100000000, 0.0013629700000000, 0.0036577600000000 ] - [ -0.0012593400000000, 0.0004016700000000, 0.0001515100000000 ] - [ 0.0054930200000000, 0.0040621800000000, -0.0173684000000000 ] - [ 0.0048701800000000, -0.0010802200000000, -0.0098873100000000 ] - [ 0.0324917300000000, 0.0052784200000000, -0.0135688800000000 ] - [ 0.0002420600000000, -0.0026862300000000, -0.0017391400000000 ] - [ 0.0022801600000000, 0.0019259600000000, 0.0163532300000000 ] - [ -0.0000792900000000, -0.0003164800000000, 0.0036304100000000 ] - [ 0.0043974800000000, -0.0000798100000000, 0.0127978400000000 ] - [ -0.0001672000000000, 0.0009340300000000, 0.0056520300000000 ] - [ 0.0299100400000000, -0.0301596800000000, -0.0040660800000000 ] - [ 0.0006217900000000, 0.0013624000000000, -0.0009583800000000 ] - [ 0.0039090600000000, -0.0071187100000000, -0.0067864200000000 ] - [ 0.0119878400000000, 0.0098543200000000, 0.0047830600000000 ] - [ 0.0038659800000000, -0.0074861400000000, 0.0032975800000000 ] - [ -0.0012835300000000, 0.0064912500000000, 0.0037224900000000 ] - [ -0.0259396500000000, -0.0216715900000000, 0.0031657000000000 ] - [ -0.0179965200000000, 0.0225344500000000, 0.0127848900000000 ] - [ 0.0011616100000000, 0.0004577300000000, -0.0011679500000000 ] - [ -0.0018814600000000, -0.0001257500000000, -0.0019252200000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.1383763200000000, 0.1662476800000000, -0.2999714300000000 ] - [ -0.0022090500000000, 0.0023665400000000, -0.0023759300000000 ] - [ -0.0005736800000000, -0.0005554300000000, 0.0037552100000000 ] - [ 0.0004007000000000, -0.0004344400000000, -0.0000210100000000 ] - [ 0.0007424800000000, 0.0009141800000000, -0.0000385100000000 ] - [ -0.0001226500000000, -0.0002046000000000, 0.0005389300000000 ] - [ -0.0049108600000000, -0.0010452600000000, -0.0040416300000000 ] - [ 0.0020661800000000, -0.0056481000000000, -0.0038764900000000 ] - [ 0.1696479000000000, -0.1138902500000000, -0.2426921500000000 ] - [ -0.0024424000000000, -0.0028890600000000, -0.0037791900000000 ] - [ -0.0000824100000000, 0.0004974100000000, 0.0039717500000000 ] - [ 0.0005256800000000, 0.0005227500000000, -0.0001044600000000 ] - [ 0.0005665100000000, -0.0002946400000000, 0.0005045100000000 ] - [ -0.0002176700000000, 0.0005103800000000, 0.0008021200000000 ] - [ -0.0054770500000000, 0.0042813300000000, -0.0079972900000000 ] - [ 0.0020423900000000, 0.0034499700000000, -0.0033097800000000 ] - [ -0.0437731500000000, 0.0306768900000000, -0.0795901200000000 ] - [ 0.0006277100000000, 0.0006332300000000, -0.0010931900000000 ] - [ -0.0005307000000000, 0.0010149300000000, 0.0053184400000000 ] - [ -0.0146736600000000, -0.0432391800000000, -0.0658388500000000 ] - [ -0.0002199200000000, -0.0001929700000000, 0.0003989800000000 ] - [ -0.0002669600000000, 0.0001531100000000, 0.0010984200000000 ] - [ 0.0125397700000000, -0.0064158600000000, -0.0064582600000000 ] - [ -0.0003771000000000, -0.0010683100000000, -0.0012155300000000 ] - [ -0.0002660600000000, 0.0007467200000000, 0.0015449300000000 ] - [ 0.0001524600000000, -0.0009860400000000, 0.0023849700000000 ] - [ 0.0031943000000000, 0.0026895400000000, -0.0073562200000000 ] - [ -0.0016539400000000, 0.0010907600000000, -0.0069282400000000 ] - [ -0.0014433300000000, 0.0020070100000000, 0.0004023700000000 ] - [ 0.0026098600000000, -0.0011896800000000, 0.0008584000000000 ] - [ 0.0045345400000000, 0.0042297900000000, 0.0034545200000000 ] - [ -0.0019495200000000, -0.0009941300000000, -0.0003823400000000 ] - [ 0.0004551400000000, 0.0020966800000000, -0.0011926100000000 ] - [ 0.0055872900000000, -0.0107007300000000, 0.0069287300000000 ] - [ 0.0017119800000000, 0.0019767700000000, 0.0013920000000000 ] - [ 0.0042278500000000, -0.0013614700000000, 0.0040474400000000 ] - [ 0.0000931900000000, -0.0021900800000000, 0.0012577600000000 ] - [ 0.0014084300000000, -0.0001184200000000, 0.0048013100000000 ] - [ 0.0000075600000000, -0.0020949100000000, -0.0004751300000000 ] - [ 0.0030111200000000, 0.0055717800000000, 0.0035820600000000 ] - [ 0.0005224200000000, 0.0002681700000000, -0.0009826100000000 ] - [ 0.0043430400000000, -0.0106115200000000, -0.0115670200000000 ] - [ -0.0001468000000000, -0.0018299500000000, 0.0030775600000000 ] - [ -0.0011251400000000, -0.0019471000000000, 0.0072367100000000 ] - [ -0.0006199600000000, 0.0018428800000000, 0.0036789400000000 ] - [ -0.0014122900000000, 0.0018695300000000, 0.0077634700000000 ] - [ 0.0001324800000000, -0.0008654500000000, 0.0000032400000000 ] - [ 0.0072542600000000, 0.0049126000000000, -0.0114394100000000 ] - [ 0.0001082200000000, 0.0011026800000000, -0.0010811600000000 ] - [ 0.0158053600000000, 0.0014975000000000, -0.0016949800000000 ] - [ 0.0005125300000000, -0.0005863600000000, 0.0010146900000000 ] - [ 0.0021535000000000, 0.0021840700000000, 0.0016746100000000 ] - [ 0.0004910200000000, -0.0011126100000000, 0.0005402400000000 ] - [ 0.0008322700000000, 0.0002177200000000, 0.0055137300000000 ] - [ -0.0002098200000000, 0.0002506400000000, -0.0009061600000000 ] - [ 0.0007058700000000, 0.0004750100000000, 0.0021362100000000 ] - [ -0.2520076300000000, -0.0502998600000000, 0.7080905600000000 ] - [ 0.0022378700000000, -0.0002945600000000, 0.0045771500000000 ] - [ 0.0017947900000000, 0.0001362700000000, -0.0136805200000000 ] - [ -0.0012477700000000, 0.0004528200000000, 0.0002359200000000 ] - [ -0.0025914800000000, -0.0014036600000000, -0.0022156400000000 ] - [ -0.0004958400000000, -0.0004014400000000, -0.0015831900000000 ] - [ -0.0037299300000000, -0.0040445100000000, 0.0187860700000000 ] - [ -0.0031235200000000, 0.0010410200000000, 0.0084344000000000 ] - [ -0.0317434300000000, -0.0044695300000000, 0.0145528100000000 ] - [ 0.0004315000000000, 0.0019219500000000, 0.0006812800000000 ] - [ -0.0028701600000000, -0.0026560500000000, -0.0152899700000000 ] - [ -0.0005953800000000, 0.0010608600000000, -0.0046950000000000 ] - [ -0.0051468700000000, -0.0006486600000000, -0.0138825000000000 ] - [ -0.0005030300000000, -0.0001797000000000, -0.0045664800000000 ] - [ -0.0291497300000000, 0.0308667000000000, 0.0031073400000000 ] - [ 0.0000529900000000, -0.0021209700000000, 0.0020148200000000 ] - [ -0.0035106900000000, 0.0071960300000000, 0.0062348800000000 ] - [ -0.0114798700000000, -0.0097641400000000, -0.0041713500000000 ] - [ -0.0043305100000000, 0.0074776100000000, -0.0039295300000000 ] - [ 0.0007934400000000, -0.0064695300000000, -0.0030624300000000 ] - [ 0.0241958500000000, 0.0216698500000000, -0.0035676700000000 ] - [ 0.0162173700000000, -0.0224981300000000, -0.0124319300000000 ] - [ 0.0005249100000000, -0.0004919000000000, 0.0007111900000000 ] - [ 0.0035909300000000, 0.0000878700000000, 0.0023772500000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0173259000000000, -0.0179064900000000, 0.0045208300000000 ] - [ 0.0001708400000000, 0.0006653300000000, -0.0000768700000000 ] - [ 0.0019908700000000, 0.0017890600000000, 0.0010405400000000 ] - [ -0.0003392500000000, -0.0005019000000000, -0.0004065300000000 ] - [ -0.0019459000000000, -0.0006029800000000, -0.0022668900000000 ] - [ 0.0006226300000000, -0.0004634300000000, 0.0001528700000000 ] - [ -0.0014311700000000, 0.0144787100000000, 0.0135811600000000 ] - [ -0.0000741200000000, -0.0009421500000000, 0.0000181300000000 ] - [ 0.0057810300000000, -0.0229360200000000, -0.0175949800000000 ] - [ -0.0010775900000000, -0.0007540400000000, -0.0008227400000000 ] - [ -0.0006113600000000, 0.0006818500000000, 0.0024705600000000 ] - [ -0.0000408600000000, 0.0000183700000000, -0.0002494300000000 ] - [ 0.0008848900000000, -0.0012034800000000, -0.0011190500000000 ] - [ 0.0002293300000000, 0.0008773700000000, 0.0009003000000000 ] - [ -0.0143831400000000, 0.0098605200000000, -0.0040835400000000 ] - [ 0.0002935800000000, -0.0012646900000000, 0.0003856600000000 ] - [ -0.0270288500000000, 0.0068550600000000, -0.0089067100000000 ] - [ 0.0000025300000000, -0.0004513400000000, -0.0001119000000000 ] - [ 0.0030862500000000, -0.0014832100000000, 0.0025264000000000 ] - [ 0.1871868500000000, 0.0633318900000000, -0.0572406800000000 ] - [ -0.0008938700000000, -0.0006588700000000, -0.0005228000000000 ] - [ 0.0001637100000000, 0.0000757800000000, 0.0001874200000000 ] - [ 0.1244117000000000, -0.0946968800000000, 0.0206909400000000 ] - [ -0.0001897900000000, -0.0005999700000000, 0.0001755600000000 ] - [ 0.0023105700000000, -0.0033959400000000, -0.0040509300000000 ] - [ -0.0012750800000000, 0.0001271000000000, 0.0003090500000000 ] - [ -0.0019384400000000, -0.0009494700000000, -0.0010235200000000 ] - [ 0.0024579300000000, 0.0022405300000000, -0.0004992400000000 ] - [ 0.0087746100000000, 0.0025074900000000, 0.0049347700000000 ] - [ -0.0015746000000000, -0.0005948000000000, 0.0017249100000000 ] - [ -0.0010913400000000, -0.0013710200000000, -0.0016077900000000 ] - [ 0.0002357100000000, 0.0009397200000000, -0.0001360900000000 ] - [ 0.0020239900000000, -0.0036883300000000, 0.0003412700000000 ] - [ -0.0043362500000000, 0.0007752700000000, -0.0008854700000000 ] - [ -0.0008208800000000, -0.0011334400000000, -0.0011048700000000 ] - [ 0.0026901200000000, -0.0002119500000000, -0.0004441500000000 ] - [ 0.0005116900000000, 0.0001350000000000, -0.0003462600000000 ] - [ -0.0015426900000000, 0.0006674000000000, -0.0004914100000000 ] - [ -0.0006861200000000, 0.0000889300000000, 0.0000905900000000 ] - [ 0.0502767800000000, 0.0171899700000000, 0.0308382500000000 ] - [ 0.0010725200000000, -0.0004164300000000, -0.0000881600000000 ] - [ -0.0080302300000000, 0.0014591100000000, -0.0001107000000000 ] - [ -0.0005473700000000, -0.0002416000000000, -0.0003519700000000 ] - [ 0.0018493600000000, -0.0002478100000000, 0.0005196000000000 ] - [ -0.0001052500000000, -0.0001902900000000, -0.0000874100000000 ] - [ -0.0020244800000000, 0.0001952200000000, 0.0004901600000000 ] - [ -0.0002482600000000, 0.0000255800000000, 0.0003186500000000 ] - [ 0.0521817500000000, 0.0050549400000000, -0.0114795300000000 ] - [ 0.0008226200000000, -0.0000980700000000, 0.0003078900000000 ] - [ -0.0248517900000000, -0.0080020400000000, 0.0042649300000000 ] - [ 0.0005696900000000, -0.0011629800000000, 0.0001402000000000 ] - [ 0.0024775300000000, 0.0020172800000000, -0.0030748700000000 ] - [ 0.0005476100000000, -0.0010951100000000, -0.0002493700000000 ] - [ -0.0010254200000000, 0.0002735000000000, -0.0001645200000000 ] - [ -0.0009454100000000, 0.0009627700000000, -0.0002040000000000 ] - [ -0.0030666400000000, 0.0019564700000000, -0.0006924300000000 ] - [ 0.0664915800000000, 0.0735948800000000, 0.0312705000000000 ] - [ 0.0019675400000000, -0.0003955400000000, 0.0008091700000000 ] - [ -0.0020097600000000, -0.0009319100000000, -0.0032915200000000 ] - [ -0.0001371600000000, 0.0009125100000000, 0.0009785600000000 ] - [ 0.0013992000000000, -0.0003459700000000, 0.0054871600000000 ] - [ -0.0020096900000000, 0.0002446500000000, -0.0008913100000000 ] - [ 0.0679251700000000, -0.0442217200000000, -0.0288677100000000 ] - [ 0.0003198200000000, 0.0020157700000000, -0.0004415600000000 ] - [ -0.4862073200000000, -0.0039375500000000, 0.0186915100000000 ] - [ 0.0016757600000000, -0.0000585900000000, -0.0003437700000000 ] - [ 0.0047235300000000, -0.0015082000000000, -0.0004191000000000 ] - [ -0.0009040400000000, 0.0004428200000000, -0.0001230800000000 ] - [ -0.0098121200000000, 0.0003894100000000, 0.0000913700000000 ] - [ 0.0002783600000000, 0.0014630500000000, 0.0006472600000000 ] - [ 0.0375530900000000, -0.0052307400000000, 0.0039420700000000 ] - [ -0.0022625000000000, 0.0015934600000000, -0.0012113000000000 ] - [ -0.0029179000000000, -0.0023208700000000, 0.0036388900000000 ] - [ 0.0039440300000000, 0.0012108600000000, 0.0022363000000000 ] - [ 0.0039481100000000, -0.0005544700000000, -0.0003841300000000 ] - [ -0.0198959700000000, 0.0074520100000000, -0.0036242400000000 ] - [ 0.0100040800000000, 0.0012157700000000, 0.0005603500000000 ] - [ -0.0137207200000000, 0.0023034500000000, 0.0018372400000000 ] - [ -0.0008982600000000, 0.0002407700000000, -0.0000992900000000 ] - [ 0.0063705100000000, -0.0015593500000000, -0.0009292200000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0171338700000000, 0.0174944900000000, -0.0040536200000000 ] - [ -0.0004661500000000, -0.0001207800000000, -0.0004127400000000 ] - [ -0.0016863400000000, -0.0012535900000000, -0.0005562100000000 ] - [ 0.0006232400000000, -0.0000331400000000, -0.0000849000000000 ] - [ 0.0022248500000000, 0.0011374800000000, 0.0018022300000000 ] - [ -0.0003215300000000, -0.0000835400000000, 0.0003372800000000 ] - [ 0.0011268700000000, -0.0150058000000000, -0.0139992900000000 ] - [ -0.0002190900000000, 0.0014906500000000, 0.0004806400000000 ] - [ -0.0061637000000000, 0.0239140900000000, 0.0183670500000000 ] - [ 0.0007036600000000, -0.0002834100000000, 0.0000575900000000 ] - [ 0.0010027700000000, -0.0017365600000000, -0.0016767500000000 ] - [ 0.0004076100000000, 0.0010228100000000, -0.0005250200000000 ] - [ -0.0005236500000000, 0.0001567900000000, 0.0003472000000000 ] - [ 0.0001521600000000, 0.0001765500000000, -0.0001184000000000 ] - [ 0.0138759500000000, -0.0087987400000000, 0.0033057800000000 ] - [ -0.0006664200000000, 0.0002205700000000, 0.0003896600000000 ] - [ 0.0275155600000000, -0.0068621000000000, 0.0096467100000000 ] - [ 0.0004585200000000, 0.0003954200000000, -0.0005849400000000 ] - [ -0.0035426000000000, 0.0014369100000000, -0.0018291800000000 ] - [ -0.1765888800000000, -0.0583790300000000, 0.0538416800000000 ] - [ 0.0004191400000000, 0.0007035300000000, -0.0001817200000000 ] - [ -0.0006323500000000, -0.0000310900000000, 0.0005116000000000 ] - [ -0.1288128800000000, 0.1015886900000000, -0.0224562900000000 ] - [ 0.0006753200000000, 0.0005707300000000, 0.0005294600000000 ] - [ -0.0026342000000000, 0.0033337600000000, 0.0035645200000000 ] - [ 0.0009111100000000, -0.0001228500000000, 0.0000718900000000 ] - [ 0.0023028000000000, 0.0009470100000000, 0.0006373900000000 ] - [ -0.0020878700000000, -0.0022274300000000, 0.0008929800000000 ] - [ -0.0087685100000000, -0.0024669800000000, -0.0057941300000000 ] - [ 0.0014374200000000, 0.0006096200000000, -0.0007988100000000 ] - [ 0.0012238800000000, 0.0013671500000000, 0.0006611900000000 ] - [ -0.0000987500000000, -0.0009357400000000, 0.0010790700000000 ] - [ -0.0018856200000000, 0.0041329200000000, -0.0011336800000000 ] - [ 0.0044466400000000, -0.0013004800000000, 0.0016748100000000 ] - [ 0.0007026700000000, 0.0005884400000000, 0.0002864300000000 ] - [ -0.0028077300000000, 0.0007601000000000, 0.0012514600000000 ] - [ -0.0006285600000000, -0.0006735700000000, 0.0011579100000000 ] - [ 0.0014274100000000, -0.0001278800000000, -0.0003257700000000 ] - [ 0.0008079300000000, 0.0004708000000000, 0.0007336900000000 ] - [ -0.0496175700000000, -0.0171914600000000, -0.0310885100000000 ] - [ -0.0004078000000000, 0.0002505400000000, -0.0007262800000000 ] - [ 0.0086939600000000, -0.0013057800000000, 0.0009290400000000 ] - [ -0.0001159500000000, 0.0003932700000000, -0.0004779300000000 ] - [ -0.0025135800000000, 0.0001024300000000, 0.0003039400000000 ] - [ -0.0005584500000000, 0.0003401700000000, 0.0009094900000000 ] - [ 0.0013604500000000, -0.0003491000000000, -0.0013225000000000 ] - [ 0.0009105900000000, -0.0001610600000000, 0.0005006600000000 ] - [ -0.0513009800000000, -0.0034004300000000, 0.0080679900000000 ] - [ -0.0016566200000000, 0.0018702900000000, -0.0000108200000000 ] - [ 0.0240133300000000, 0.0061451500000000, -0.0045448500000000 ] - [ 0.0002782500000000, -0.0006162700000000, 0.0001531600000000 ] - [ -0.0016437600000000, -0.0002431400000000, 0.0027804500000000 ] - [ 0.0002992800000000, -0.0006833800000000, -0.0000471500000000 ] - [ 0.0018844500000000, 0.0015082800000000, 0.0004538600000000 ] - [ 0.0000841700000000, 0.0008326000000000, -0.0000882200000000 ] - [ 0.0025899700000000, -0.0020050500000000, -0.0000133800000000 ] - [ -0.0643687400000000, -0.0730989700000000, -0.0329601500000000 ] - [ -0.0001994200000000, 0.0003713200000000, 0.0006164400000000 ] - [ 0.0002201400000000, 0.0009320500000000, 0.0018639000000000 ] - [ -0.0016006200000000, -0.0009043500000000, 0.0004588500000000 ] - [ -0.0031083700000000, 0.0003511700000000, -0.0040601800000000 ] - [ 0.0002367400000000, -0.0002327800000000, -0.0005520900000000 ] - [ -0.0661432700000000, 0.0447499900000000, 0.0301913800000000 ] - [ 0.0014187900000000, -0.0020347000000000, -0.0010069700000000 ] - [ 0.4793315500000000, -0.0119755900000000, -0.0107532800000000 ] - [ -0.0009985100000000, -0.0007231800000000, -0.0007208500000000 ] - [ -0.0053989300000000, 0.0007746700000000, 0.0014975500000000 ] - [ 0.0002316800000000, 0.0002986000000000, -0.0009382700000000 ] - [ 0.0091481400000000, -0.0011358600000000, -0.0011327100000000 ] - [ -0.0009503600000000, -0.0007207500000000, 0.0004242300000000 ] - [ -0.0369088900000000, 0.0059641500000000, -0.0049629500000000 ] - [ 0.0029204300000000, -0.0022987100000000, 0.0022488600000000 ] - [ 0.0033651500000000, 0.0022963300000000, -0.0042355600000000 ] - [ -0.0034912700000000, -0.0011984800000000, -0.0016294300000000 ] - [ -0.0043991300000000, 0.0005147700000000, -0.0001974300000000 ] - [ 0.0191113900000000, -0.0072269600000000, 0.0043381400000000 ] - [ -0.0117098600000000, -0.0012262700000000, -0.0009928800000000 ] - [ 0.0119899200000000, -0.0023007700000000, -0.0014009200000000 ] - [ 0.0026216500000000, -0.0002690600000000, -0.0003051500000000 ] - [ -0.0046625300000000, 0.0015305500000000, 0.0013337400000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0045418600000000, -0.0044543100000000, 0.0032394100000000 ] - [ 0.0012258200000000, -0.0048372300000000, 0.0014704800000000 ] - [ 0.0045318100000000, 0.0054913200000000, 0.0044487600000000 ] - [ -0.0003127100000000, -0.0023597500000000, -0.0014230600000000 ] - [ -0.0013570700000000, 0.0050000100000000, -0.0015538900000000 ] - [ 0.0023614200000000, -0.0036011200000000, 0.0009551700000000 ] - [ 0.0032793900000000, -0.0128922100000000, -0.0126333700000000 ] - [ 0.0017369600000000, -0.0041626900000000, -0.0008434100000000 ] - [ -0.0056573100000000, -0.0098852200000000, -0.0057807400000000 ] - [ -0.0017702800000000, -0.0050181100000000, -0.0017148000000000 ] - [ 0.0010866100000000, 0.0041819800000000, 0.0001782500000000 ] - [ -0.0023215400000000, -0.0029407100000000, 0.0007368800000000 ] - [ -0.0036776000000000, 0.0052011700000000, 0.0025337000000000 ] - [ 0.0011435100000000, -0.0022255000000000, -0.0013707500000000 ] - [ 0.0117617800000000, -0.0103789700000000, 0.0028429100000000 ] - [ -0.0017542300000000, -0.0060077600000000, 0.0025159500000000 ] - [ -0.0099003700000000, 0.0054997300000000, -0.0041714600000000 ] - [ -0.0054868100000000, -0.0084502900000000, 0.0012318300000000 ] - [ -0.0033902800000000, 0.0074029700000000, 0.0022681400000000 ] - [ 0.0805991900000000, 0.0772447100000000, -0.0237446600000000 ] - [ -0.0024619700000000, -0.0036503300000000, -0.0009402100000000 ] - [ -0.0025069200000000, -0.0048223400000000, 0.0004560300000000 ] - [ -0.1039992700000000, 0.1531746500000000, -0.0292260600000000 ] - [ -0.0006322500000000, -0.0031838900000000, 0.0003432400000000 ] - [ 0.0010103700000000, -0.0069517200000000, -0.0136784400000000 ] - [ -0.0013434900000000, 0.0010975800000000, -0.0001599000000000 ] - [ 0.0001482600000000, -0.0025915500000000, -0.0019876100000000 ] - [ 0.0005112400000000, -0.0055326500000000, 0.0028381600000000 ] - [ 0.0175994500000000, -0.0074214200000000, -0.0061973200000000 ] - [ -0.0056876000000000, 0.0004303500000000, 0.0018330800000000 ] - [ -0.0013896700000000, -0.0018291600000000, -0.0021756700000000 ] - [ 0.0004836500000000, -0.0022955400000000, 0.0022773900000000 ] - [ -0.0002509500000000, -0.0149964500000000, 0.0038381000000000 ] - [ -0.0005639300000000, 0.0085845600000000, -0.0046842400000000 ] - [ -0.0010179500000000, -0.0041180700000000, -0.0029218400000000 ] - [ 0.0005866500000000, -0.0004725900000000, 0.0049266600000000 ] - [ -0.0015119900000000, -0.0060407800000000, 0.0041630900000000 ] - [ 0.0004307500000000, 0.0010603700000000, -0.0019844300000000 ] - [ -0.0006326700000000, 0.0000592000000000, 0.0002450800000000 ] - [ 0.0280017900000000, 0.1014864700000000, 0.0898627700000000 ] - [ 0.0002229900000000, -0.0068187300000000, 0.0002956300000000 ] - [ 0.0008159000000000, 0.0075596600000000, 0.0047357200000000 ] - [ 0.0000139100000000, -0.0027558500000000, 0.0012242400000000 ] - [ -0.0008356800000000, 0.0018761200000000, -0.0008311300000000 ] - [ -0.0002407800000000, -0.0033416700000000, -0.0013593400000000 ] - [ -0.0001731200000000, 0.0013178200000000, 0.0015858800000000 ] - [ 0.0009351800000000, -0.0015679900000000, 0.0019730700000000 ] - [ 0.0035574000000000, 0.1598750000000000, -0.1950107200000000 ] - [ 0.0049804800000000, -0.0073872500000000, 0.0013825800000000 ] - [ 0.0187087600000000, 0.0121031600000000, -0.0082381800000000 ] - [ 0.0028216100000000, -0.0051815500000000, -0.0003033400000000 ] - [ 0.0029483200000000, 0.0072796000000000, 0.0025884200000000 ] - [ 0.0022374600000000, -0.0050320400000000, -0.0000059000000000 ] - [ 0.0029101100000000, 0.0056989100000000, -0.0006258500000000 ] - [ 0.0003986900000000, -0.0024959600000000, -0.0000813600000000 ] - [ -0.0024721000000000, 0.0044586300000000, -0.0016439500000000 ] - [ 0.0440186600000000, 0.0300368100000000, 0.0040984600000000 ] - [ 0.0043139000000000, 0.0112927600000000, -0.0015807800000000 ] - [ -0.0029246800000000, -0.0137162400000000, -0.0030107000000000 ] - [ 0.0015106800000000, 0.0072397000000000, 0.0014054800000000 ] - [ 0.0023874800000000, -0.0147714900000000, 0.0010087800000000 ] - [ -0.0022542100000000, 0.0087776300000000, -0.0001694700000000 ] - [ -0.0582871100000000, 0.0364655500000000, 0.0311825400000000 ] - [ -0.0010913700000000, 0.0119278400000000, -0.0024599000000000 ] - [ 0.0077262400000000, -0.5831452300000000, 0.1297604000000000 ] - [ 0.0000028100000000, 0.0045107800000000, -0.0022519400000000 ] - [ -0.0014814200000000, -0.0064328500000000, 0.0007296400000000 ] - [ -0.0004107600000000, 0.0104384200000000, -0.0010473900000000 ] - [ 0.0004260800000000, -0.0104411800000000, -0.0066445000000000 ] - [ -0.0014279900000000, 0.0079516400000000, 0.0008819100000000 ] - [ -0.0052776800000000, -0.0225293200000000, -0.0022917700000000 ] - [ -0.0016050500000000, 0.0218657000000000, -0.0036447100000000 ] - [ 0.0005663600000000, 0.0110375300000000, -0.0076731000000000 ] - [ 0.0024162100000000, 0.0047488100000000, 0.0043095500000000 ] - [ 0.0066866400000000, -0.0060528400000000, 0.0013589200000000 ] - [ -0.0232287700000000, 0.0595534400000000, 0.0440462400000000 ] - [ -0.0026822500000000, 0.0114074600000000, -0.0043855800000000 ] - [ 0.0008235900000000, 0.0155491000000000, 0.0068487200000000 ] - [ 0.0041933600000000, 0.0082944800000000, -0.0133487400000000 ] - [ -0.0055597600000000, -0.0043910800000000, 0.0011789300000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0042486400000000, 0.0040010200000000, -0.0027527900000000 ] - [ -0.0015132800000000, 0.0053794000000000, -0.0019584500000000 ] - [ -0.0042301100000000, -0.0049569600000000, -0.0039459600000000 ] - [ 0.0006109900000000, 0.0018115900000000, 0.0009374200000000 ] - [ 0.0016346800000000, -0.0044668100000000, 0.0010725400000000 ] - [ -0.0020595800000000, 0.0030429500000000, -0.0004736300000000 ] - [ -0.0035198000000000, 0.0123846700000000, 0.0121749100000000 ] - [ -0.0020414400000000, 0.0047144900000000, 0.0013368400000000 ] - [ 0.0051322800000000, 0.0109631600000000, 0.0066146300000000 ] - [ 0.0014060900000000, 0.0039861100000000, 0.0009476300000000 ] - [ -0.0006943900000000, -0.0052394900000000, 0.0006117300000000 ] - [ 0.0026922100000000, 0.0039688200000000, -0.0015073200000000 ] - [ 0.0040473500000000, -0.0062470600000000, -0.0032991200000000 ] - [ -0.0007747100000000, 0.0032633000000000, 0.0021506300000000 ] - [ -0.0122405100000000, 0.0115464800000000, -0.0036347200000000 ] - [ 0.0013710300000000, 0.0049691900000000, -0.0017429600000000 ] - [ 0.0104397900000000, -0.0054343300000000, 0.0049241600000000 ] - [ 0.0059828500000000, 0.0084294000000000, -0.0019269000000000 ] - [ 0.0028995300000000, -0.0074169000000000, -0.0015757600000000 ] - [ -0.0790343600000000, -0.0787558700000000, 0.0230855100000000 ] - [ 0.0019858900000000, 0.0036878700000000, 0.0002434000000000 ] - [ 0.0020267100000000, 0.0048567200000000, 0.0002426600000000 ] - [ 0.0970431700000000, -0.1468952000000000, 0.0271770800000000 ] - [ 0.0011028500000000, 0.0031412900000000, 0.0003497200000000 ] - [ -0.0013226700000000, 0.0068525000000000, 0.0131880800000000 ] - [ 0.0009772500000000, -0.0011077300000000, 0.0005523700000000 ] - [ 0.0002121300000000, 0.0025973200000000, 0.0015929900000000 ] - [ -0.0001307800000000, 0.0055150600000000, -0.0024262100000000 ] - [ -0.0176981800000000, 0.0074167600000000, 0.0053863500000000 ] - [ 0.0055649700000000, -0.0004459600000000, -0.0009142800000000 ] - [ 0.0015122600000000, 0.0018309600000000, 0.0012390100000000 ] - [ -0.0003326700000000, 0.0023020400000000, -0.0013408700000000 ] - [ 0.0003570800000000, 0.0155310100000000, -0.0046164500000000 ] - [ 0.0006953900000000, -0.0091502700000000, 0.0055103100000000 ] - [ 0.0008933800000000, 0.0035778500000000, 0.0021079700000000 ] - [ -0.0007113200000000, 0.0010297600000000, -0.0040774400000000 ] - [ 0.0013885600000000, 0.0054927400000000, -0.0033411300000000 ] - [ -0.0005577600000000, -0.0004990700000000, 0.0011616800000000 ] - [ 0.0007523800000000, 0.0004660400000000, 0.0005592200000000 ] - [ -0.0291506400000000, -0.1045294700000000, -0.0956644000000000 ] - [ 0.0004411500000000, 0.0067262600000000, -0.0011248400000000 ] - [ -0.0001509800000000, -0.0074373100000000, -0.0039234500000000 ] - [ -0.0006765500000000, 0.0029048800000000, -0.0020524500000000 ] - [ 0.0001716300000000, -0.0020013800000000, 0.0016542600000000 ] - [ -0.0004224100000000, 0.0034869500000000, 0.0021819300000000 ] - [ -0.0004888400000000, -0.0014531600000000, -0.0024098100000000 ] - [ -0.0002747900000000, 0.0014127600000000, -0.0011477500000000 ] - [ -0.0030844800000000, -0.1601904600000000, 0.1999357200000000 ] - [ -0.0058536900000000, 0.0091856500000000, -0.0010800400000000 ] - [ -0.0195257200000000, -0.0138862300000000, 0.0079500900000000 ] - [ -0.0019718400000000, 0.0034042100000000, 0.0006047500000000 ] - [ -0.0020837800000000, -0.0054746500000000, -0.0028854400000000 ] - [ -0.0013768500000000, 0.0032484200000000, -0.0002929200000000 ] - [ -0.0020414500000000, -0.0039066000000000, 0.0009274300000000 ] - [ -0.0012446100000000, 0.0042667800000000, -0.0002222800000000 ] - [ 0.0019889600000000, -0.0044860000000000, 0.0009464300000000 ] - [ -0.0419317300000000, -0.0303134200000000, -0.0056453900000000 ] - [ -0.0025911900000000, -0.0113162700000000, 0.0030241800000000 ] - [ 0.0011560100000000, 0.0136888300000000, 0.0015751500000000 ] - [ -0.0032643300000000, -0.0072166400000000, 0.0000226600000000 ] - [ -0.0041180200000000, 0.0147385400000000, 0.0004357200000000 ] - [ 0.0004958800000000, -0.0087541500000000, -0.0012788500000000 ] - [ 0.0596612500000000, -0.0363941800000000, -0.0298467500000000 ] - [ 0.0028691100000000, -0.0119578800000000, 0.0010269400000000 ] - [ -0.0004358800000000, 0.5803081400000000, -0.1267359800000000 ] - [ 0.0006665300000000, -0.0052465000000000, 0.0011994200000000 ] - [ 0.0008031500000000, 0.0056569700000000, 0.0003379300000000 ] - [ -0.0002652800000000, -0.0096823800000000, -0.0000202200000000 ] - [ -0.0010966600000000, 0.0096210900000000, 0.0055589400000000 ] - [ 0.0007578000000000, -0.0072024600000000, 0.0001809700000000 ] - [ 0.0059139900000000, 0.0233219500000000, 0.0012136300000000 ] - [ 0.0022843800000000, -0.0227118800000000, 0.0046685200000000 ] - [ -0.0001339500000000, -0.0110316900000000, 0.0070156000000000 ] - [ -0.0019438500000000, -0.0047635600000000, -0.0036867400000000 ] - [ -0.0071502300000000, 0.0060858100000000, -0.0019705200000000 ] - [ 0.0227063900000000, -0.0595081500000000, -0.0439366400000000 ] - [ 0.0009832600000000, -0.0114490600000000, 0.0039489000000000 ] - [ -0.0025402700000000, -0.0155310600000000, -0.0063707900000000 ] - [ -0.0024923700000000, -0.0081951600000000, 0.0130013800000000 ] - [ 0.0072950100000000, 0.0044395900000000, -0.0007481600000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0009856500000000, 0.0015669500000000, 0.0010745100000000 ] - [ -0.0001425900000000, -0.0000768300000000, 0.0002510700000000 ] - [ -0.0042687500000000, -0.0023723600000000, -0.0104157500000000 ] - [ 0.0003818500000000, -0.0014552300000000, -0.0019748800000000 ] - [ -0.0012420600000000, 0.0010391900000000, -0.0049185700000000 ] - [ -0.0017041200000000, 0.0018189700000000, -0.0030033800000000 ] - [ 0.0002692800000000, -0.0004987500000000, 0.0037833500000000 ] - [ 0.0000331900000000, 0.0000908700000000, 0.0005106100000000 ] - [ -0.0049430900000000, 0.0015477300000000, 0.0079731700000000 ] - [ -0.0002383900000000, -0.0004838000000000, -0.0000344400000000 ] - [ -0.0007026500000000, -0.0000105000000000, -0.0049171800000000 ] - [ 0.0017690200000000, 0.0028752700000000, -0.0037155500000000 ] - [ 0.0036153200000000, -0.0030333800000000, -0.0084694800000000 ] - [ 0.0001696000000000, -0.0008154200000000, -0.0021632100000000 ] - [ 0.0013241100000000, -0.0008486700000000, 0.0005139500000000 ] - [ -0.0004285800000000, -0.0010595400000000, 0.0010724100000000 ] - [ 0.0080739500000000, -0.0009284200000000, 0.0064985300000000 ] - [ -0.0007520400000000, -0.0012113700000000, 0.0030322500000000 ] - [ 0.0025515900000000, -0.0004558100000000, -0.0057930800000000 ] - [ -0.0476638100000000, -0.0214342300000000, 0.0589534100000000 ] - [ -0.0001950600000000, -0.0000800900000000, -0.0010153700000000 ] - [ -0.0000783400000000, -0.0001958400000000, -0.0007511800000000 ] - [ 0.0195969100000000, -0.0279145600000000, 0.0451121700000000 ] - [ 0.0008932100000000, 0.0003982900000000, 0.0011586700000000 ] - [ 0.0005934600000000, -0.0058660300000000, -0.0155751100000000 ] - [ 0.0013132900000000, -0.0000326500000000, -0.0033016500000000 ] - [ 0.0001081400000000, -0.0002888300000000, -0.0002031300000000 ] - [ 0.0000636800000000, 0.0000281400000000, 0.0014188700000000 ] - [ 0.0183963300000000, -0.0104125600000000, -0.0013930200000000 ] - [ 0.0063591900000000, 0.0026397100000000, -0.0023031400000000 ] - [ -0.0000534400000000, -0.0002029700000000, -0.0006830500000000 ] - [ -0.0006211700000000, 0.0003124100000000, 0.0008591700000000 ] - [ -0.0008986600000000, -0.0229390800000000, 0.0093374600000000 ] - [ 0.0006063800000000, -0.0013089400000000, 0.0014876400000000 ] - [ -0.0001616000000000, -0.0005686700000000, -0.0007077300000000 ] - [ -0.0009775400000000, 0.0024464000000000, 0.0000248900000000 ] - [ -0.0001821200000000, 0.0001335900000000, 0.0003427800000000 ] - [ -0.0001130500000000, 0.0003289200000000, -0.0007516800000000 ] - [ 0.0017137300000000, 0.0025464500000000, 0.0020183400000000 ] - [ 0.0410524700000000, 0.0896106000000000, 0.1772475400000000 ] - [ 0.0003696700000000, 0.0090356400000000, 0.0073665700000000 ] - [ 0.0013206800000000, 0.0011579200000000, 0.0036068400000000 ] - [ -0.0003448700000000, 0.0000655700000000, -0.0006388900000000 ] - [ -0.0002633800000000, 0.0008309200000000, -0.0028038600000000 ] - [ -0.0003460100000000, -0.0002289500000000, -0.0002396300000000 ] - [ -0.0005213400000000, -0.0002251200000000, -0.0010338500000000 ] - [ 0.0009571600000000, -0.0007772600000000, 0.0024737000000000 ] - [ -0.0113203500000000, -0.2016436100000000, 0.4264414500000000 ] - [ 0.0008959700000000, -0.0010865700000000, 0.0031943900000000 ] - [ 0.0003462200000000, -0.0028963700000000, 0.0029805800000000 ] - [ 0.0003152400000000, -0.0010791900000000, -0.0005434700000000 ] - [ -0.0004592400000000, 0.0010328700000000, -0.0036767200000000 ] - [ 0.0003469900000000, -0.0007225700000000, -0.0009627900000000 ] - [ 0.0000064400000000, 0.0002416900000000, -0.0016601600000000 ] - [ -0.0006023500000000, 0.0014560200000000, 0.0006165300000000 ] - [ -0.0009089000000000, 0.0004698800000000, -0.0022288400000000 ] - [ 0.0011529600000000, -0.0087552000000000, -0.0148373600000000 ] - [ 0.0017125300000000, -0.0001582900000000, -0.0004939300000000 ] - [ -0.0013257400000000, 0.0054867600000000, 0.0150830400000000 ] - [ -0.0015687600000000, 0.0003526900000000, 0.0048698700000000 ] - [ -0.0006043700000000, 0.0013627000000000, 0.0140298300000000 ] - [ -0.0003038000000000, 0.0005247200000000, 0.0043759000000000 ] - [ -0.0060608300000000, 0.0102954200000000, -0.0029456700000000 ] - [ 0.0002842000000000, 0.0010361900000000, -0.0022065200000000 ] - [ 0.0161552800000000, 0.1405209000000000, -0.7619874400000000 ] - [ 0.0001465900000000, -0.0020947900000000, -0.0046900100000000 ] - [ 0.0006283700000000, -0.0005585900000000, 0.0018906000000000 ] - [ 0.0000702900000000, 0.0008958200000000, 0.0006332800000000 ] - [ 0.0002685800000000, -0.0064267100000000, 0.0078614100000000 ] - [ -0.0004458800000000, 0.0007307400000000, 0.0011684400000000 ] - [ -0.0041116100000000, 0.0021249100000000, -0.0062222200000000 ] - [ -0.0013941800000000, 0.0037913400000000, -0.0230560300000000 ] - [ 0.0018095400000000, -0.0023129600000000, -0.0023601900000000 ] - [ 0.0005202000000000, 0.0005694200000000, 0.0007610300000000 ] - [ -0.0063059300000000, -0.0013998800000000, 0.0034508800000000 ] - [ -0.0275678500000000, 0.0651037900000000, 0.0404609100000000 ] - [ -0.0014795600000000, 0.0002370100000000, -0.0009861800000000 ] - [ -0.0009093200000000, 0.0031271200000000, 0.0012662600000000 ] - [ -0.0016608100000000, -0.0234739200000000, 0.0372978100000000 ] - [ -0.0033051200000000, 0.0005009800000000, 0.0031641800000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0012486800000000, -0.0020449200000000, -0.0006078000000000 ] - [ -0.0001468200000000, 0.0006100400000000, -0.0007378600000000 ] - [ 0.0045537500000000, 0.0029523600000000, 0.0108893900000000 ] - [ -0.0000944900000000, 0.0009192300000000, 0.0014892500000000 ] - [ 0.0015584100000000, -0.0004897400000000, 0.0044457800000000 ] - [ 0.0020155100000000, -0.0023774700000000, 0.0035109400000000 ] - [ -0.0005494500000000, -0.0000200100000000, -0.0042058900000000 ] - [ -0.0003259100000000, 0.0004475300000000, -0.0000188000000000 ] - [ 0.0045073100000000, -0.0005147200000000, -0.0071102600000000 ] - [ -0.0001381200000000, -0.0005644300000000, -0.0007386800000000 ] - [ 0.0010666300000000, -0.0010244000000000, 0.0057054800000000 ] - [ -0.0014137500000000, -0.0018586600000000, 0.0029636700000000 ] - [ -0.0032404000000000, 0.0020254700000000, 0.0077117800000000 ] - [ 0.0002084600000000, 0.0018650400000000, 0.0029482600000000 ] - [ -0.0017682000000000, 0.0019493300000000, -0.0013094800000000 ] - [ 0.0000494300000000, 0.0000053600000000, -0.0002945300000000 ] - [ -0.0075796100000000, 0.0009865600000000, -0.0057615100000000 ] - [ 0.0012109400000000, 0.0011469200000000, -0.0037452900000000 ] - [ -0.0030578100000000, 0.0004008500000000, 0.0065543400000000 ] - [ 0.0467040400000000, 0.0194951200000000, -0.0581000900000000 ] - [ -0.0002848700000000, 0.0001189100000000, 0.0003156200000000 ] - [ -0.0003987600000000, 0.0002349600000000, 0.0014550200000000 ] - [ -0.0182351200000000, 0.0270294500000000, -0.0452625100000000 ] - [ -0.0004209000000000, -0.0004479100000000, -0.0004608100000000 ] - [ -0.0009405600000000, 0.0058988400000000, 0.0151351200000000 ] - [ -0.0016894200000000, 0.0000382900000000, 0.0037202900000000 ] - [ 0.0002542100000000, 0.0002867800000000, -0.0001882600000000 ] - [ 0.0003071900000000, -0.0000237200000000, -0.0010375200000000 ] - [ -0.0185680700000000, 0.0104519700000000, 0.0004571700000000 ] - [ -0.0065065600000000, -0.0026367500000000, 0.0032451900000000 ] - [ 0.0001775000000000, 0.0001989600000000, -0.0002522600000000 ] - [ 0.0007613500000000, -0.0003173500000000, 0.0000699600000000 ] - [ 0.0010233500000000, 0.0234995000000000, -0.0101681600000000 ] - [ -0.0004906200000000, 0.0007655400000000, -0.0006669400000000 ] - [ 0.0000385600000000, 0.0000182200000000, -0.0001173500000000 ] - [ 0.0008667400000000, -0.0019397700000000, 0.0007723500000000 ] - [ 0.0000595000000000, -0.0006907300000000, 0.0004800000000000 ] - [ -0.0000082200000000, 0.0002067600000000, -0.0000596800000000 ] - [ -0.0015999000000000, -0.0020116500000000, -0.0012020300000000 ] - [ -0.0432684100000000, -0.0977691200000000, -0.1868371800000000 ] - [ 0.0002945000000000, -0.0092324700000000, -0.0082166900000000 ] - [ -0.0006595700000000, -0.0010202700000000, -0.0027986500000000 ] - [ -0.0003175900000000, 0.0000748600000000, -0.0001819100000000 ] - [ -0.0003973700000000, -0.0009980400000000, 0.0036388700000000 ] - [ -0.0003170600000000, 0.0003658800000000, 0.0010580700000000 ] - [ -0.0001435300000000, 0.0000731600000000, 0.0002058600000000 ] - [ -0.0002976500000000, 0.0006342400000000, -0.0016615300000000 ] - [ 0.0113060500000000, 0.1872812500000000, -0.4053302100000000 ] - [ -0.0017315000000000, 0.0028526000000000, -0.0029116700000000 ] - [ -0.0012336200000000, 0.0011047200000000, -0.0032349800000000 ] - [ 0.0005359100000000, -0.0007047500000000, 0.0008404500000000 ] - [ 0.0013305700000000, 0.0007488300000000, 0.0034134900000000 ] - [ 0.0005090300000000, -0.0010651300000000, 0.0006720800000000 ] - [ 0.0008263600000000, 0.0015298800000000, 0.0019628400000000 ] - [ -0.0002481100000000, 0.0003169000000000, -0.0009131500000000 ] - [ 0.0004437000000000, -0.0005179500000000, 0.0015367100000000 ] - [ 0.0005826900000000, 0.0086881900000000, 0.0132849100000000 ] - [ 0.0000451400000000, 0.0001590400000000, 0.0019249200000000 ] - [ -0.0003490400000000, -0.0055386100000000, -0.0165598000000000 ] - [ -0.0001680500000000, -0.0003250400000000, -0.0034563700000000 ] - [ -0.0011928700000000, -0.0014099800000000, -0.0126515500000000 ] - [ -0.0014561100000000, -0.0005001300000000, -0.0058408400000000 ] - [ 0.0078629500000000, -0.0103397200000000, 0.0042248000000000 ] - [ 0.0014620300000000, -0.0010350300000000, 0.0007684400000000 ] - [ -0.0131760900000000, -0.1160883000000000, 0.7493161800000000 ] - [ 0.0005276400000000, 0.0013552100000000, 0.0036382600000000 ] - [ -0.0012924800000000, -0.0001658100000000, -0.0008279200000000 ] - [ -0.0007495000000000, -0.0001306500000000, -0.0016996100000000 ] - [ -0.0009604900000000, 0.0057772200000000, -0.0089583300000000 ] - [ -0.0002273000000000, 0.0000300300000000, -0.0001046000000000 ] - [ 0.0047956300000000, -0.0013816000000000, 0.0051581800000000 ] - [ 0.0020704300000000, -0.0045232400000000, 0.0242154300000000 ] - [ -0.0013780100000000, 0.0023493100000000, 0.0017889200000000 ] - [ -0.0000635100000000, -0.0005552300000000, -0.0001582400000000 ] - [ 0.0058713000000000, 0.0013936800000000, -0.0040835800000000 ] - [ 0.0271342100000000, -0.0656470400000000, -0.0400995800000000 ] - [ -0.0002180100000000, -0.0002408800000000, 0.0005638500000000 ] - [ -0.0008037100000000, -0.0030951700000000, -0.0008458300000000 ] - [ 0.0033719400000000, 0.0234796000000000, -0.0379446800000000 ] - [ 0.0050228500000000, -0.0005201800000000, -0.0027192300000000 ]- atom: 73 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0066022800000000, -0.0019835200000000, -0.0001371900000000 ] - [ 0.0044386100000000, -0.0010932000000000, 0.0019239500000000 ] - [ -0.0005387300000000, 0.0012173000000000, 0.0015217200000000 ] - [ 0.0009011600000000, -0.0004742500000000, -0.0005270600000000 ] - [ 0.0009011600000000, 0.0004742500000000, -0.0005270600000000 ] - [ -0.0005387300000000, -0.0012173000000000, 0.0015217200000000 ] - [ 0.0044386100000000, 0.0010932000000000, 0.0019239500000000 ] - [ -0.0066022800000000, 0.0019835200000000, -0.0001371900000000 ] - [ -0.0006848400000000, 0.0004408800000000, 0.0001530000000000 ] - [ 0.0008875200000000, 0.0080027500000000, 0.0109793000000000 ] - [ -0.0015428800000000, 0.0001262700000000, 0.0002279500000000 ] - [ 0.0009215400000000, 0.0004797800000000, -0.0003413800000000 ] - [ 0.0009215400000000, -0.0004797800000000, -0.0003413800000000 ] - [ -0.0015428800000000, -0.0001262700000000, 0.0002279500000000 ] - [ 0.0008875200000000, -0.0080027500000000, 0.0109793000000000 ] - [ -0.0006848400000000, -0.0004408800000000, 0.0001530000000000 ] - [ -0.0017999000000000, 0.0007967900000000, -0.0003299100000000 ] - [ 0.0050437500000000, 0.0023742900000000, -0.0013382000000000 ] - [ -0.0068137400000000, 0.0087810000000000, 0.0053933600000000 ] - [ -0.0002933700000000, -0.0005723000000000, -0.0009273900000000 ] - [ 0.0019776000000000, 0.0021813100000000, 0.0000245400000000 ] - [ -0.0068137400000000, -0.0087810000000000, 0.0053933600000000 ] - [ 0.0050437500000000, -0.0023742900000000, -0.0013382000000000 ] - [ -0.0017999000000000, -0.0007967900000000, -0.0003299100000000 ] - [ -0.0000753100000000, 0.0000000000000000, -0.0005001000000000 ] - [ -0.0003356400000000, 0.0000000000000000, 0.0006814100000000 ] - [ -0.0022603700000000, 0.0000000000000000, 0.0019154100000000 ] - [ 0.0711007200000000, 0.0000000000000000, 0.0956841200000000 ] - [ -0.0002749100000000, 0.0000000000000000, -0.0006899700000000 ] - [ 0.0002974100000000, 0.0000000000000000, 0.0008471700000000 ] - [ -0.0030482900000000, 0.0000000000000000, 0.0007332000000000 ] - [ 0.3853770100000000, 0.0000000000000000, 0.1431366100000000 ] - [ 0.0004431500000000, 0.0005730700000000, -0.0010525000000000 ] - [ -0.0003056200000000, -0.0007795300000000, 0.0008671900000000 ] - [ -0.0013557700000000, 0.0001459700000000, -0.0012968700000000 ] - [ 0.0834321300000000, -0.0534510300000000, -0.0194598900000000 ] - [ 0.0834321300000000, 0.0534510300000000, -0.0194598900000000 ] - [ -0.0013557700000000, -0.0001459700000000, -0.0012968700000000 ] - [ -0.0003056200000000, 0.0007795300000000, 0.0008671900000000 ] - [ 0.0004431500000000, -0.0005730700000000, -0.0010525000000000 ] - [ 0.0009142800000000, 0.0002737400000000, -0.0002857500000000 ] - [ -0.0002709400000000, -0.0005662300000000, -0.0000093800000000 ] - [ -0.0049092000000000, 0.0040320500000000, -0.0048824300000000 ] - [ 0.0035052000000000, 0.0007536800000000, 0.0121212200000000 ] - [ 0.0035052000000000, -0.0007536800000000, 0.0121212200000000 ] - [ -0.0049092000000000, -0.0040320500000000, -0.0048824300000000 ] - [ -0.0002709400000000, 0.0005662300000000, -0.0000093800000000 ] - [ 0.0009142800000000, -0.0002737400000000, -0.0002857500000000 ] - [ -0.0002933700000000, 0.0005723000000000, -0.0009273900000000 ] - [ -0.0010983100000000, -0.0049101300000000, 0.0019175100000000 ] - [ -0.0034848600000000, 0.0020561300000000, -0.0003032400000000 ] - [ 0.0145456300000000, 0.0087144600000000, 0.0027987400000000 ] - [ 0.0145456300000000, -0.0087144600000000, 0.0027987400000000 ] - [ -0.0034848600000000, -0.0020561300000000, -0.0003032400000000 ] - [ -0.0010983100000000, 0.0049101300000000, 0.0019175100000000 ] - [ 0.0019776000000000, -0.0021813100000000, 0.0000245400000000 ] - [ 0.0058283400000000, -0.0024949800000000, 0.0030179500000000 ] - [ -0.0120305600000000, -0.0092729300000000, -0.0109837600000000 ] - [ 0.0065126900000000, -0.0019823100000000, -0.0048082100000000 ] - [ -0.0040063600000000, -0.0000446900000000, -0.0003201700000000 ] - [ -0.0040063600000000, 0.0000446900000000, -0.0003201700000000 ] - [ 0.0065126900000000, 0.0019823100000000, -0.0048082100000000 ] - [ -0.0120305600000000, 0.0092729300000000, -0.0109837600000000 ] - [ 0.0058283400000000, 0.0024949800000000, 0.0030179500000000 ] - [ -0.0028155000000000, 0.0007170200000000, 0.0021231900000000 ] - [ 0.0040559800000000, -0.0025357100000000, -0.0008212500000000 ] - [ 0.0038402500000000, 0.0065474300000000, 0.0066262500000000 ] - [ -0.0198511800000000, 0.0233157100000000, -0.0278776700000000 ] - [ -0.0198511800000000, -0.0233157100000000, -0.0278776700000000 ] - [ 0.0038402500000000, -0.0065474300000000, 0.0066262500000000 ] - [ 0.0040559800000000, 0.0025357100000000, -0.0008212500000000 ] - [ -0.0028155000000000, -0.0007170200000000, 0.0021231900000000 ] - [ -0.6387607700000000, 0.0000000000000000, -0.1748257400000000 ] - [ 0.0052147700000000, 0.0000000000000000, -0.0007634300000000 ] - [ -0.0004693400000000, 0.0000000000000000, -0.0012892400000000 ] - [ -0.0003454500000000, 0.0000000000000000, 0.0012296400000000 ] - [ 0.0465081100000000, 0.0000000000000000, -0.0111447000000000 ] - [ -0.0021128600000000, 0.0000000000000000, -0.0033435800000000 ] - [ -0.0004673800000000, 0.0000000000000000, -0.0010380000000000 ] - [ 0.0019646600000000, 0.0000000000000000, 0.0013799100000000 ]- atom: 73 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0062870600000000, 0.0014741900000000, 0.0005876800000000 ] - [ -0.0047539100000000, 0.0016403400000000, -0.0024136200000000 ] - [ 0.0008355600000000, -0.0006864400000000, -0.0010514700000000 ] - [ -0.0006141300000000, -0.0000592100000000, 0.0000494700000000 ] - [ -0.0006141300000000, 0.0000592100000000, 0.0000494700000000 ] - [ 0.0008355600000000, 0.0006864400000000, -0.0010514700000000 ] - [ -0.0047539100000000, -0.0016403400000000, -0.0024136200000000 ] - [ 0.0062870600000000, -0.0014741900000000, 0.0005876800000000 ] - [ 0.0003146900000000, 0.0006139600000000, 0.0006030100000000 ] - [ -0.0012577000000000, -0.0091083600000000, -0.0118405400000000 ] - [ 0.0019290900000000, -0.0011739200000000, 0.0005520300000000 ] - [ -0.0005484800000000, 0.0005664500000000, -0.0004389100000000 ] - [ -0.0005484800000000, -0.0005664500000000, -0.0004389100000000 ] - [ 0.0019290900000000, 0.0011739200000000, 0.0005520300000000 ] - [ -0.0012577000000000, 0.0091083600000000, -0.0118405400000000 ] - [ 0.0003146900000000, -0.0006139600000000, 0.0006030100000000 ] - [ 0.0022661400000000, -0.0007397200000000, 0.0010127600000000 ] - [ -0.0045821800000000, -0.0024107800000000, 0.0006503400000000 ] - [ 0.0064081000000000, -0.0089140500000000, -0.0047390400000000 ] - [ -0.0005433100000000, -0.0011907000000000, 0.0012320000000000 ] - [ -0.0024574700000000, -0.0021452000000000, -0.0007243300000000 ] - [ 0.0064081000000000, 0.0089140500000000, -0.0047390400000000 ] - [ -0.0045821800000000, 0.0024107800000000, 0.0006503400000000 ] - [ 0.0022661400000000, 0.0007397200000000, 0.0010127600000000 ] - [ -0.0002903900000000, 0.0000000000000000, 0.0001188000000000 ] - [ -0.0000303700000000, 0.0000000000000000, -0.0002996600000000 ] - [ 0.0026288000000000, 0.0000000000000000, -0.0023253000000000 ] - [ -0.0720970400000000, 0.0000000000000000, -0.0966010900000000 ] - [ 0.0001388600000000, 0.0000000000000000, -0.0002290200000000 ] - [ -0.0004377100000000, 0.0000000000000000, 0.0000705700000000 ] - [ 0.0031810300000000, 0.0000000000000000, -0.0016635400000000 ] - [ -0.4082394000000000, 0.0000000000000000, -0.1540624500000000 ] - [ -0.0003186300000000, -0.0000292300000000, 0.0002493000000000 ] - [ 0.0004248200000000, 0.0002404600000000, -0.0000658000000000 ] - [ 0.0012292300000000, -0.0007016200000000, 0.0004739500000000 ] - [ -0.0825940100000000, 0.0515826500000000, 0.0189777700000000 ] - [ -0.0825940100000000, -0.0515826500000000, 0.0189777700000000 ] - [ 0.0012292300000000, 0.0007016200000000, 0.0004739500000000 ] - [ 0.0004248200000000, -0.0002404600000000, -0.0000658000000000 ] - [ -0.0003186300000000, 0.0000292300000000, 0.0002493000000000 ] - [ -0.0002450200000000, -0.0004195900000000, -0.0005488200000000 ] - [ 0.0009359700000000, 0.0007156900000000, 0.0008438900000000 ] - [ 0.0042214500000000, -0.0038844600000000, 0.0040588900000000 ] - [ -0.0041571700000000, -0.0008985500000000, -0.0113422500000000 ] - [ -0.0041571700000000, 0.0008985500000000, -0.0113422500000000 ] - [ 0.0042214500000000, 0.0038844600000000, 0.0040588900000000 ] - [ 0.0009359700000000, -0.0007156900000000, 0.0008438900000000 ] - [ -0.0002450200000000, 0.0004195900000000, -0.0005488200000000 ] - [ -0.0005433100000000, 0.0011907000000000, 0.0012320000000000 ] - [ 0.0002415700000000, 0.0031440100000000, -0.0022322000000000 ] - [ 0.0043418000000000, -0.0038403800000000, 0.0005963500000000 ] - [ -0.0137033500000000, -0.0069315200000000, -0.0030765500000000 ] - [ -0.0137033500000000, 0.0069315200000000, -0.0030765500000000 ] - [ 0.0043418000000000, 0.0038403800000000, 0.0005963500000000 ] - [ 0.0002415700000000, -0.0031440100000000, -0.0022322000000000 ] - [ -0.0024574700000000, 0.0021452000000000, -0.0007243300000000 ] - [ -0.0040955000000000, 0.0024349400000000, -0.0044038600000000 ] - [ 0.0139015700000000, 0.0093100100000000, 0.0124864300000000 ] - [ -0.0083000500000000, 0.0019798600000000, 0.0033863600000000 ] - [ 0.0022672700000000, 0.0000447800000000, 0.0017592600000000 ] - [ 0.0022672700000000, -0.0000447800000000, 0.0017592600000000 ] - [ -0.0083000500000000, -0.0019798600000000, 0.0033863600000000 ] - [ 0.0139015700000000, -0.0093100100000000, 0.0124864300000000 ] - [ -0.0040955000000000, -0.0024349400000000, -0.0044038600000000 ] - [ 0.0034630800000000, 0.0000216800000000, -0.0010654100000000 ] - [ -0.0033829400000000, 0.0018190300000000, -0.0002367800000000 ] - [ -0.0045030600000000, -0.0072935900000000, -0.0055536100000000 ] - [ 0.0191591900000000, -0.0226135500000000, 0.0268250600000000 ] - [ 0.0191591900000000, 0.0226135500000000, 0.0268250600000000 ] - [ -0.0045030600000000, 0.0072935900000000, -0.0055536100000000 ] - [ -0.0033829400000000, -0.0018190300000000, -0.0002367800000000 ] - [ 0.0034630800000000, -0.0000216800000000, -0.0010654100000000 ] - [ 0.6616192900000000, 0.0000000000000000, 0.1901587200000000 ] - [ -0.0047432200000000, 0.0000000000000000, 0.0014233800000000 ] - [ 0.0000223000000000, 0.0000000000000000, 0.0006872700000000 ] - [ -0.0001091400000000, 0.0000000000000000, -0.0006266200000000 ] - [ -0.0482660300000000, 0.0000000000000000, 0.0105891600000000 ] - [ 0.0003667800000000, 0.0000000000000000, 0.0038833900000000 ] - [ 0.0021785700000000, 0.0000000000000000, 0.0006061300000000 ] - [ -0.0002616900000000, 0.0000000000000000, -0.0009524800000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0033027400000000, 0.0016612300000000, 0.0022004500000000 ] - [ -0.0009939000000000, 0.0033281000000000, -0.0005476900000000 ] - [ 0.0001319300000000, -0.0044183800000000, -0.0027440800000000 ] - [ 0.0038835300000000, -0.0058319800000000, -0.0014669900000000 ] - [ -0.0035866500000000, -0.0052903700000000, 0.0009827400000000 ] - [ 0.0001596600000000, -0.0049418200000000, 0.0032114300000000 ] - [ 0.0006925100000000, 0.0027591900000000, 0.0000517500000000 ] - [ -0.0036011400000000, 0.0022209900000000, -0.0017074000000000 ] - [ -0.0012732300000000, 0.0037502800000000, 0.0019969600000000 ] - [ 0.0028904200000000, 0.0021376300000000, -0.0011952700000000 ] - [ 0.0034521000000000, -0.0048508900000000, 0.0016093400000000 ] - [ -0.0005085900000000, -0.0059750400000000, 0.0033834900000000 ] - [ 0.0008864700000000, -0.0070148700000000, -0.0041553300000000 ] - [ -0.0030567700000000, -0.0037908300000000, -0.0008243600000000 ] - [ -0.0032589700000000, 0.0031442500000000, 0.0004106200000000 ] - [ 0.0008999800000000, 0.0027257900000000, -0.0012214700000000 ] - [ 0.0012627300000000, -0.0012933500000000, 0.0011065600000000 ] - [ 0.0003506100000000, -0.0031932200000000, -0.0042856300000000 ] - [ 0.0114212100000000, -0.0176653300000000, -0.0078533700000000 ] - [ 0.0003407400000000, -0.0023488800000000, 0.0023101500000000 ] - [ 0.0035406200000000, 0.0007960800000000, 0.0012634700000000 ] - [ -0.0118380400000000, -0.0174633500000000, 0.0084946400000000 ] - [ 0.0001288700000000, -0.0031352300000000, 0.0035392200000000 ] - [ -0.0007798300000000, -0.0013255800000000, -0.0004055900000000 ] - [ -0.0001851100000000, -0.0037365500000000, -0.0001937500000000 ] - [ -0.0001812600000000, -0.0024773700000000, 0.0001972600000000 ] - [ 0.0001855400000000, 0.0027091300000000, -0.0002000300000000 ] - [ -0.0000316300000000, 0.0462536300000000, -0.0011936800000000 ] - [ -0.0000698800000000, -0.0026966000000000, -0.0004656800000000 ] - [ -0.0000636900000000, -0.0021952100000000, 0.0004673300000000 ] - [ 0.0000678300000000, 0.0030292900000000, -0.0004703600000000 ] - [ 0.0012913800000000, 0.0522117900000000, 0.0008650600000000 ] - [ -0.0015185000000000, -0.0055322600000000, 0.0018926500000000 ] - [ 0.0007902000000000, -0.0035016500000000, 0.0020752100000000 ] - [ 0.0009904200000000, 0.0039342900000000, 0.0021368700000000 ] - [ -0.0549815300000000, 0.0948616800000000, 0.0214772400000000 ] - [ 0.0591145600000000, 0.0997837700000000, -0.0242572300000000 ] - [ -0.0011074100000000, 0.0044714600000000, -0.0029491400000000 ] - [ -0.0006664700000000, -0.0029612900000000, -0.0012652300000000 ] - [ 0.0016312800000000, -0.0060606500000000, -0.0026958000000000 ] - [ 0.0000626000000000, -0.0036942600000000, -0.0023743800000000 ] - [ 0.0000298100000000, -0.0019009600000000, -0.0000682400000000 ] - [ -0.0011335700000000, 0.0029193500000000, -0.0012319100000000 ] - [ -0.0019866800000000, 0.0021050500000000, -0.0229788700000000 ] - [ 0.0012986500000000, 0.0022392200000000, 0.0237640300000000 ] - [ 0.0004774100000000, 0.0027569300000000, 0.0004063700000000 ] - [ 0.0006336600000000, -0.0020559700000000, 0.0008931500000000 ] - [ 0.0005899700000000, -0.0035282000000000, 0.0015384500000000 ] - [ -0.0012191400000000, -0.0005569500000000, -0.0020205200000000 ] - [ -0.0026128200000000, -0.0029396100000000, 0.0006824300000000 ] - [ -0.0027087300000000, 0.0002368700000000, 0.0010378300000000 ] - [ -0.0157217800000000, -0.0169030600000000, -0.0080926100000000 ] - [ 0.0165806200000000, -0.0187081400000000, 0.0078537600000000 ] - [ 0.0035759900000000, 0.0020205400000000, -0.0007451300000000 ] - [ 0.0017713100000000, -0.0011588700000000, -0.0009844300000000 ] - [ -0.0040010500000000, 0.0007449100000000, -0.0019633200000000 ] - [ -0.0030936800000000, -0.0004114900000000, -0.0078723000000000 ] - [ -0.0041731800000000, 0.0001317200000000, 0.0105643400000000 ] - [ -0.0128600000000000, 0.0105024600000000, 0.0067762300000000 ] - [ -0.0109203700000000, 0.0154979900000000, -0.0057788000000000 ] - [ 0.0091270300000000, 0.0154362000000000, 0.0071827400000000 ] - [ 0.0110605500000000, 0.0105015900000000, -0.0081884400000000 ] - [ 0.0058920200000000, 0.0002050600000000, -0.0090542900000000 ] - [ 0.0048548700000000, -0.0004701400000000, 0.0064430100000000 ] - [ -0.0019461300000000, 0.0113830300000000, -0.0017956600000000 ] - [ -0.0008749800000000, 0.0043809500000000, 0.0000321100000000 ] - [ -0.0008811000000000, -0.0064355800000000, 0.0019290700000000 ] - [ -0.0074876800000000, 0.0599899700000000, -0.0660441400000000 ] - [ 0.0071914400000000, 0.0590711100000000, 0.0647047600000000 ] - [ 0.0001880700000000, -0.0057024900000000, -0.0008651300000000 ] - [ 0.0015342100000000, 0.0051304700000000, -0.0010936800000000 ] - [ 0.0026714800000000, 0.0106861500000000, 0.0028661200000000 ] - [ -0.0054263300000000, -0.3645119900000000, 0.0046055100000000 ] - [ 0.0002185200000000, -0.0075892700000000, 0.0003093200000000 ] - [ -0.0002258900000000, 0.0064728000000000, -0.0003036800000000 ] - [ -0.0002138700000000, 0.0114760800000000, 0.0002941000000000 ] - [ -0.0008379200000000, -0.0141052000000000, -0.0002223800000000 ] - [ -0.0008484200000000, -0.0183925700000000, 0.0002194700000000 ] - [ 0.0008596800000000, 0.0123360800000000, -0.0002131200000000 ] - [ 0.0008426600000000, 0.0107623900000000, 0.0002139000000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0022046600000000, -0.0005688700000000, 0.0037231300000000 ] - [ 0.0039502800000000, -0.0059613500000000, -0.0067163500000000 ] - [ 0.0003858400000000, -0.0012351300000000, -0.0015945100000000 ] - [ -0.0014821200000000, 0.0016458200000000, 0.0006619200000000 ] - [ -0.0014821200000000, -0.0016458200000000, 0.0006619200000000 ] - [ 0.0003858400000000, 0.0012351300000000, -0.0015945100000000 ] - [ 0.0039502800000000, 0.0059613500000000, -0.0067163500000000 ] - [ -0.0022046600000000, 0.0005688700000000, 0.0037231300000000 ] - [ -0.0069381800000000, 0.0064678900000000, -0.0014714600000000 ] - [ 0.0065281300000000, -0.0013586900000000, 0.0040907900000000 ] - [ 0.0014140300000000, -0.0017809600000000, 0.0008583500000000 ] - [ 0.0002436200000000, 0.0030131500000000, -0.0025280900000000 ] - [ 0.0002436200000000, -0.0030131500000000, -0.0025280900000000 ] - [ 0.0014140300000000, 0.0017809600000000, 0.0008583500000000 ] - [ 0.0065281300000000, 0.0013586900000000, 0.0040907900000000 ] - [ -0.0069381800000000, -0.0064678900000000, -0.0014714600000000 ] - [ -0.0013846100000000, 0.0020977400000000, 0.0004050700000000 ] - [ -0.0023333200000000, -0.0069309000000000, 0.0007954500000000 ] - [ 0.0062716400000000, -0.0082328000000000, -0.0039673400000000 ] - [ -0.0006511800000000, 0.0009537900000000, 0.0021112200000000 ] - [ -0.0021624800000000, -0.0002572000000000, -0.0018709500000000 ] - [ 0.0062716400000000, 0.0082328000000000, -0.0039673400000000 ] - [ -0.0023333200000000, 0.0069309000000000, 0.0007954500000000 ] - [ -0.0013846100000000, -0.0020977400000000, 0.0004050700000000 ] - [ -0.0000882100000000, 0.0000000000000000, 0.0013120300000000 ] - [ -0.0002038500000000, 0.0000000000000000, -0.0012550700000000 ] - [ 0.0006979400000000, 0.0000000000000000, -0.0023783900000000 ] - [ 0.0991845400000000, 0.0000000000000000, 0.4944640700000000 ] - [ -0.0005669100000000, 0.0000000000000000, 0.0005350200000000 ] - [ -0.0005913300000000, 0.0000000000000000, -0.0006710500000000 ] - [ -0.0009049000000000, 0.0000000000000000, -0.0036432600000000 ] - [ 0.1409783200000000, 0.0000000000000000, 0.1233170200000000 ] - [ -0.0005714700000000, -0.0015650000000000, 0.0018608100000000 ] - [ 0.0000544500000000, 0.0010941600000000, -0.0009941100000000 ] - [ -0.0003040600000000, -0.0018519700000000, -0.0029488100000000 ] - [ -0.0253956300000000, 0.0347151200000000, 0.0537108600000000 ] - [ -0.0253956300000000, -0.0347151200000000, 0.0537108600000000 ] - [ -0.0003040600000000, 0.0018519700000000, -0.0029488100000000 ] - [ 0.0000544500000000, -0.0010941600000000, -0.0009941100000000 ] - [ -0.0005714700000000, 0.0015650000000000, 0.0018608100000000 ] - [ -0.0003410500000000, -0.0019365400000000, -0.0017628100000000 ] - [ 0.0006443100000000, 0.0014653700000000, 0.0017603100000000 ] - [ -0.0008539700000000, 0.0001559600000000, -0.0008406600000000 ] - [ 0.0011093700000000, -0.0017704800000000, -0.0103296200000000 ] - [ 0.0011093700000000, 0.0017704800000000, -0.0103296200000000 ] - [ -0.0008539700000000, -0.0001559600000000, -0.0008406600000000 ] - [ 0.0006443100000000, -0.0014653700000000, 0.0017603100000000 ] - [ -0.0003410500000000, 0.0019365400000000, -0.0017628100000000 ] - [ -0.0006511800000000, -0.0009537900000000, 0.0021112200000000 ] - [ 0.0021378300000000, 0.0025466300000000, -0.0006358000000000 ] - [ 0.0017875700000000, -0.0013538800000000, -0.0010367500000000 ] - [ -0.0077689300000000, -0.0092613200000000, -0.0040065000000000 ] - [ -0.0077689300000000, 0.0092613200000000, -0.0040065000000000 ] - [ 0.0017875700000000, 0.0013538800000000, -0.0010367500000000 ] - [ 0.0021378300000000, -0.0025466300000000, -0.0006358000000000 ] - [ -0.0021624800000000, 0.0002572000000000, -0.0018709500000000 ] - [ 0.0092436400000000, -0.0078130800000000, -0.0072330100000000 ] - [ -0.0120395000000000, 0.0197847300000000, 0.0052020100000000 ] - [ -0.0064515600000000, 0.0043024600000000, 0.0029051300000000 ] - [ 0.0047478700000000, -0.0075868900000000, 0.0041128800000000 ] - [ 0.0047478700000000, 0.0075868900000000, 0.0041128800000000 ] - [ -0.0064515600000000, -0.0043024600000000, 0.0029051300000000 ] - [ -0.0120395000000000, -0.0197847300000000, 0.0052020100000000 ] - [ 0.0092436400000000, 0.0078130800000000, -0.0072330100000000 ] - [ 0.0042816300000000, -0.0069740200000000, -0.0015453200000000 ] - [ -0.0016040400000000, 0.0036272300000000, -0.0000734700000000 ] - [ -0.0002532900000000, -0.0020552300000000, 0.0042906700000000 ] - [ -0.0042475600000000, -0.0434442300000000, 0.0397959200000000 ] - [ -0.0042475600000000, 0.0434442300000000, 0.0397959200000000 ] - [ -0.0002532900000000, 0.0020552300000000, 0.0042906700000000 ] - [ -0.0016040400000000, -0.0036272300000000, -0.0000734700000000 ] - [ 0.0042816300000000, 0.0069740200000000, -0.0015453200000000 ] - [ -0.1853862100000000, 0.0000000000000000, -0.8003302100000000 ] - [ 0.0013121400000000, 0.0000000000000000, 0.0062110500000000 ] - [ 0.0007616400000000, 0.0000000000000000, 0.0026792400000000 ] - [ 0.0007026100000000, 0.0000000000000000, -0.0031222600000000 ] - [ 0.0038240600000000, 0.0000000000000000, -0.0134810800000000 ] - [ 0.0064149000000000, 0.0000000000000000, 0.0421436700000000 ] - [ 0.0008291100000000, 0.0000000000000000, 0.0034548800000000 ] - [ 0.0014109800000000, 0.0000000000000000, -0.0026935300000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0019213700000000, 0.0000216000000000, -0.0032423500000000 ] - [ -0.0042623500000000, 0.0065063500000000, 0.0062670900000000 ] - [ -0.0000924600000000, 0.0017685400000000, 0.0020633400000000 ] - [ 0.0017715900000000, -0.0021844100000000, -0.0011429000000000 ] - [ 0.0017715900000000, 0.0021844100000000, -0.0011429000000000 ] - [ -0.0000924600000000, -0.0017685400000000, 0.0020633400000000 ] - [ -0.0042623500000000, -0.0065063500000000, 0.0062670900000000 ] - [ 0.0019213700000000, -0.0000216000000000, -0.0032423500000000 ] - [ 0.0065704800000000, -0.0054473100000000, 0.0022640000000000 ] - [ -0.0069095400000000, 0.0002916400000000, -0.0048866100000000 ] - [ -0.0010228700000000, 0.0007339300000000, -0.0000757000000000 ] - [ 0.0001350200000000, -0.0019722900000000, 0.0017454300000000 ] - [ 0.0001350200000000, 0.0019722900000000, 0.0017454300000000 ] - [ -0.0010228700000000, -0.0007339300000000, -0.0000757000000000 ] - [ -0.0069095400000000, -0.0002916400000000, -0.0048866100000000 ] - [ 0.0065704800000000, 0.0054473100000000, 0.0022640000000000 ] - [ 0.0018772900000000, -0.0020694000000000, 0.0002945200000000 ] - [ 0.0028024800000000, 0.0068898900000000, -0.0014900900000000 ] - [ -0.0067011300000000, 0.0081029700000000, 0.0046009700000000 ] - [ -0.0002126700000000, -0.0027398100000000, -0.0018078000000000 ] - [ 0.0016736800000000, 0.0002829300000000, 0.0011683500000000 ] - [ -0.0067011300000000, -0.0081029700000000, 0.0046009700000000 ] - [ 0.0028024800000000, -0.0068898900000000, -0.0014900900000000 ] - [ 0.0018772900000000, 0.0020694000000000, 0.0002945200000000 ] - [ -0.0002831600000000, 0.0000000000000000, -0.0017042500000000 ] - [ -0.0001649800000000, 0.0000000000000000, 0.0016471300000000 ] - [ -0.0003188700000000, 0.0000000000000000, 0.0019899000000000 ] - [ -0.0915536800000000, 0.0000000000000000, -0.4633767100000000 ] - [ 0.0004340200000000, 0.0000000000000000, -0.0014571500000000 ] - [ 0.0004592000000000, 0.0000000000000000, 0.0015929800000000 ] - [ 0.0010431000000000, 0.0000000000000000, 0.0027276600000000 ] - [ -0.1437124100000000, 0.0000000000000000, -0.1216442800000000 ] - [ 0.0006930100000000, 0.0021062600000000, -0.0026671600000000 ] - [ 0.0000696300000000, -0.0016354600000000, 0.0018019900000000 ] - [ 0.0001918000000000, 0.0013069500000000, 0.0021435900000000 ] - [ 0.0261054500000000, -0.0352786700000000, -0.0530258600000000 ] - [ 0.0261054500000000, 0.0352786700000000, -0.0530258600000000 ] - [ 0.0001918000000000, -0.0013069500000000, 0.0021435900000000 ] - [ 0.0000696300000000, 0.0016354600000000, 0.0018019900000000 ] - [ 0.0006930100000000, -0.0021062600000000, -0.0026671600000000 ] - [ 0.0010005600000000, 0.0017850800000000, 0.0009338600000000 ] - [ 0.0000184200000000, -0.0013145400000000, -0.0009298800000000 ] - [ 0.0002107900000000, -0.0000206400000000, 0.0000136300000000 ] - [ -0.0018016600000000, 0.0016794000000000, 0.0111107800000000 ] - [ -0.0018016600000000, -0.0016794000000000, 0.0111107800000000 ] - [ 0.0002107900000000, 0.0000206400000000, 0.0000136300000000 ] - [ 0.0000184200000000, 0.0013145400000000, -0.0009298800000000 ] - [ 0.0010005600000000, -0.0017850800000000, 0.0009338600000000 ] - [ -0.0002126700000000, 0.0027398100000000, -0.0018078000000000 ] - [ -0.0029866000000000, -0.0043144100000000, 0.0003309800000000 ] - [ -0.0009141000000000, -0.0004409200000000, 0.0013364400000000 ] - [ 0.0085864500000000, 0.0110244100000000, 0.0036860600000000 ] - [ 0.0085864500000000, -0.0110244100000000, 0.0036860600000000 ] - [ -0.0009141000000000, 0.0004409200000000, 0.0013364400000000 ] - [ -0.0029866000000000, 0.0043144100000000, 0.0003309800000000 ] - [ 0.0016736800000000, -0.0002829300000000, 0.0011683500000000 ] - [ -0.0075136100000000, 0.0078412200000000, 0.0057910800000000 ] - [ 0.0138387600000000, -0.0197674300000000, -0.0037549600000000 ] - [ 0.0046673800000000, -0.0043208000000000, -0.0043188600000000 ] - [ -0.0064950500000000, 0.0076130800000000, -0.0026741800000000 ] - [ -0.0064950500000000, -0.0076130800000000, -0.0026741800000000 ] - [ 0.0046673800000000, 0.0043208000000000, -0.0043188600000000 ] - [ 0.0138387600000000, 0.0197674300000000, -0.0037549600000000 ] - [ -0.0075136100000000, -0.0078412200000000, 0.0057910800000000 ] - [ -0.0035947300000000, 0.0077126200000000, 0.0025991600000000 ] - [ 0.0022606600000000, -0.0043676400000000, -0.0009881700000000 ] - [ -0.0004385500000000, 0.0012758500000000, -0.0032486200000000 ] - [ 0.0037155900000000, 0.0445360300000000, -0.0407598700000000 ] - [ 0.0037155900000000, -0.0445360300000000, -0.0407598700000000 ] - [ -0.0004385500000000, -0.0012758500000000, -0.0032486200000000 ] - [ 0.0022606600000000, 0.0043676400000000, -0.0009881700000000 ] - [ -0.0035947300000000, -0.0077126200000000, 0.0025991600000000 ] - [ 0.1795589600000000, 0.0000000000000000, 0.7686582900000000 ] - [ -0.0008725900000000, 0.0000000000000000, -0.0056068200000000 ] - [ -0.0012174100000000, 0.0000000000000000, -0.0032920700000000 ] - [ -0.0011565100000000, 0.0000000000000000, 0.0037331100000000 ] - [ -0.0056254900000000, 0.0000000000000000, 0.0130663500000000 ] - [ -0.0080851800000000, 0.0000000000000000, -0.0418464600000000 ] - [ 0.0008811800000000, 0.0000000000000000, -0.0038920200000000 ] - [ 0.0002836500000000, 0.0000000000000000, 0.0031278200000000 ]- atom: 77 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0137484300000000, 0.0052368900000000, 0.0046118200000000 ] - [ -0.0053136900000000, -0.0003520300000000, -0.0053836700000000 ] - [ -0.0004816800000000, 0.0000884800000000, 0.0003182100000000 ] - [ 0.0010741700000000, -0.0010184500000000, 0.0000207800000000 ] - [ 0.0010741700000000, 0.0010184500000000, 0.0000207800000000 ] - [ -0.0004816800000000, -0.0000884800000000, 0.0003182100000000 ] - [ -0.0053136900000000, 0.0003520300000000, -0.0053836700000000 ] - [ 0.0137484300000000, -0.0052368900000000, 0.0046118200000000 ] - [ -0.0080064000000000, 0.0006605800000000, 0.0079968600000000 ] - [ 0.0133256500000000, 0.0112169000000000, 0.0031412600000000 ] - [ -0.0000335000000000, -0.0010383400000000, 0.0001571700000000 ] - [ 0.0003320500000000, -0.0003549700000000, 0.0002493900000000 ] - [ 0.0003320500000000, 0.0003549700000000, 0.0002493900000000 ] - [ -0.0000335000000000, 0.0010383400000000, 0.0001571700000000 ] - [ 0.0133256500000000, -0.0112169000000000, 0.0031412600000000 ] - [ -0.0080064000000000, -0.0006605800000000, 0.0079968600000000 ] - [ 0.0075576800000000, -0.0084662700000000, 0.0062911700000000 ] - [ -0.0076920200000000, -0.0062850900000000, -0.0002757100000000 ] - [ -0.0032228400000000, 0.0023217100000000, 0.0006565400000000 ] - [ -0.0095915000000000, -0.0088375100000000, 0.0018487100000000 ] - [ 0.0026879300000000, 0.0029709300000000, -0.0008520800000000 ] - [ -0.0032228400000000, -0.0023217100000000, 0.0006565400000000 ] - [ -0.0076920200000000, 0.0062850900000000, -0.0002757100000000 ] - [ 0.0075576800000000, 0.0084662700000000, 0.0062911700000000 ] - [ -0.0005465100000000, 0.0000000000000000, -0.0003617600000000 ] - [ 0.0001960100000000, 0.0000000000000000, 0.0003569000000000 ] - [ 0.0061977500000000, 0.0000000000000000, 0.0031489400000000 ] - [ -0.0108958000000000, 0.0000000000000000, -0.0062420900000000 ] - [ -0.0004940700000000, 0.0000000000000000, -0.0007491800000000 ] - [ 0.0005051500000000, 0.0000000000000000, 0.0002944100000000 ] - [ -0.0008541500000000, 0.0000000000000000, 0.0003230300000000 ] - [ -0.0002178300000000, 0.0000000000000000, -0.0051531600000000 ] - [ -0.0014680000000000, 0.0001233000000000, -0.0004566800000000 ] - [ 0.0016966200000000, -0.0010370600000000, 0.0008515600000000 ] - [ 0.0009788600000000, 0.0016623200000000, 0.0009441700000000 ] - [ -0.0100302900000000, 0.0074919500000000, 0.0037523800000000 ] - [ -0.0100302900000000, -0.0074919500000000, 0.0037523800000000 ] - [ 0.0009788600000000, -0.0016623200000000, 0.0009441700000000 ] - [ 0.0016966200000000, 0.0010370600000000, 0.0008515600000000 ] - [ -0.0014680000000000, -0.0001233000000000, -0.0004566800000000 ] - [ -0.0016454000000000, -0.0002244500000000, -0.0000008400000000 ] - [ 0.0023233400000000, -0.0002078000000000, 0.0004632900000000 ] - [ 0.0056230500000000, 0.0008065300000000, -0.0008730200000000 ] - [ -0.0019773900000000, 0.0005896500000000, 0.0017489300000000 ] - [ -0.0019773900000000, -0.0005896500000000, 0.0017489300000000 ] - [ 0.0056230500000000, -0.0008065300000000, -0.0008730200000000 ] - [ 0.0023233400000000, 0.0002078000000000, 0.0004632900000000 ] - [ -0.0016454000000000, 0.0002244500000000, -0.0000008400000000 ] - [ -0.0095915000000000, 0.0088375100000000, 0.0018487100000000 ] - [ 0.0038847700000000, 0.0071789500000000, -0.0040624600000000 ] - [ -0.0000422100000000, -0.0000820200000000, 0.0006192100000000 ] - [ 0.0007555900000000, 0.0036130400000000, 0.0014769300000000 ] - [ 0.0007555900000000, -0.0036130400000000, 0.0014769300000000 ] - [ -0.0000422100000000, 0.0000820200000000, 0.0006192100000000 ] - [ 0.0038847700000000, -0.0071789500000000, -0.0040624600000000 ] - [ 0.0026879300000000, -0.0029709300000000, -0.0008520800000000 ] - [ 0.0164405600000000, 0.0235507000000000, -0.0257163000000000 ] - [ 0.0169066000000000, 0.0193024300000000, 0.0178535400000000 ] - [ 0.0017429400000000, 0.0006460900000000, -0.0010515400000000 ] - [ -0.0045979100000000, 0.0023876900000000, -0.0020368300000000 ] - [ -0.0045979100000000, -0.0023876900000000, -0.0020368300000000 ] - [ 0.0017429400000000, -0.0006460900000000, -0.0010515400000000 ] - [ 0.0169066000000000, -0.0193024300000000, 0.0178535400000000 ] - [ 0.0164405600000000, -0.0235507000000000, -0.0257163000000000 ] - [ 0.0111891700000000, -0.0014758300000000, -0.0000979300000000 ] - [ -0.0125055700000000, -0.0020452200000000, -0.0004763400000000 ] - [ -0.0020970400000000, 0.0030184900000000, 0.0031036300000000 ] - [ 0.0051797200000000, 0.0068449200000000, -0.0047297600000000 ] - [ 0.0051797200000000, -0.0068449200000000, -0.0047297600000000 ] - [ -0.0020970400000000, -0.0030184900000000, 0.0031036300000000 ] - [ -0.0125055700000000, 0.0020452200000000, -0.0004763400000000 ] - [ 0.0111891700000000, 0.0014758300000000, -0.0000979300000000 ] - [ 0.0478278200000000, 0.0000000000000000, 0.0043731500000000 ] - [ -0.0009831800000000, 0.0000000000000000, -0.0069301800000000 ] - [ -0.0015556100000000, 0.0000000000000000, -0.0002831400000000 ] - [ 0.0008836100000000, 0.0000000000000000, 0.0008736800000000 ] - [ -0.1262922500000000, 0.0000000000000000, -0.0097459100000000 ] - [ 0.0115199200000000, 0.0000000000000000, 0.0001228700000000 ] - [ 0.0019758400000000, 0.0000000000000000, -0.0005567800000000 ] - [ -0.0007500200000000, 0.0000000000000000, 0.0003444600000000 ]- atom: 77 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0148853300000000, -0.0066095400000000, -0.0039449200000000 ] - [ 0.0050458200000000, 0.0008703800000000, 0.0049261300000000 ] - [ 0.0007623000000000, 0.0004418900000000, 0.0001413200000000 ] - [ -0.0007720200000000, 0.0004858600000000, -0.0004740300000000 ] - [ -0.0007720200000000, -0.0004858600000000, -0.0004740300000000 ] - [ 0.0007623000000000, -0.0004418900000000, 0.0001413200000000 ] - [ 0.0050458200000000, -0.0008703800000000, 0.0049261300000000 ] - [ -0.0148853300000000, 0.0066095400000000, -0.0039449200000000 ] - [ 0.0076213700000000, 0.0003988300000000, -0.0072356400000000 ] - [ -0.0133807400000000, -0.0116209200000000, -0.0035878900000000 ] - [ 0.0004072300000000, -0.0000040700000000, 0.0006342600000000 ] - [ 0.0000625700000000, 0.0013873500000000, -0.0010310600000000 ] - [ 0.0000625700000000, -0.0013873500000000, -0.0010310600000000 ] - [ 0.0004072300000000, 0.0000040700000000, 0.0006342600000000 ] - [ -0.0133807400000000, 0.0116209200000000, -0.0035878900000000 ] - [ 0.0076213700000000, -0.0003988300000000, -0.0072356400000000 ] - [ -0.0071079400000000, 0.0085292900000000, -0.0056298400000000 ] - [ 0.0081954500000000, 0.0062626200000000, -0.0004226300000000 ] - [ 0.0027136400000000, -0.0023133300000000, 0.0000523000000000 ] - [ 0.0087318500000000, 0.0070444300000000, -0.0015380600000000 ] - [ -0.0031154500000000, -0.0028952600000000, 0.0001438900000000 ] - [ 0.0027136400000000, 0.0023133300000000, 0.0000523000000000 ] - [ 0.0081954500000000, -0.0062626200000000, -0.0004226300000000 ] - [ -0.0071079400000000, -0.0085292900000000, -0.0056298400000000 ] - [ 0.0001697200000000, 0.0000000000000000, -0.0000170200000000 ] - [ -0.0005711500000000, 0.0000000000000000, 0.0000237000000000 ] - [ -0.0058636300000000, 0.0000000000000000, -0.0035327400000000 ] - [ 0.0112234600000000, 0.0000000000000000, 0.0065829000000000 ] - [ 0.0003540700000000, 0.0000000000000000, -0.0001411800000000 ] - [ -0.0006382900000000, 0.0000000000000000, 0.0005968000000000 ] - [ 0.0009312300000000, 0.0000000000000000, -0.0012048300000000 ] - [ 0.0015155700000000, 0.0000000000000000, 0.0055199700000000 ] - [ 0.0015821000000000, 0.0004242000000000, -0.0003336400000000 ] - [ -0.0015852300000000, 0.0004917900000000, -0.0000658700000000 ] - [ -0.0010914700000000, -0.0022067200000000, -0.0017716700000000 ] - [ 0.0099025700000000, -0.0068972500000000, -0.0028962000000000 ] - [ 0.0099025700000000, 0.0068972500000000, -0.0028962000000000 ] - [ -0.0010914700000000, 0.0022067200000000, -0.0017716700000000 ] - [ -0.0015852300000000, -0.0004917900000000, -0.0000658700000000 ] - [ 0.0015821000000000, -0.0004242000000000, -0.0003336400000000 ] - [ 0.0023121500000000, 0.0000819900000000, -0.0008523200000000 ] - [ -0.0016596500000000, 0.0003483500000000, 0.0003892700000000 ] - [ -0.0063047900000000, -0.0006366800000000, -0.0000223600000000 ] - [ 0.0013066100000000, -0.0007162200000000, -0.0008800900000000 ] - [ 0.0013066100000000, 0.0007162200000000, -0.0008800900000000 ] - [ -0.0063047900000000, 0.0006366800000000, -0.0000223600000000 ] - [ -0.0016596500000000, -0.0003483500000000, 0.0003892700000000 ] - [ 0.0023121500000000, -0.0000819900000000, -0.0008523200000000 ] - [ 0.0087318500000000, -0.0070444300000000, -0.0015380600000000 ] - [ -0.0047478000000000, -0.0089775100000000, 0.0037663500000000 ] - [ 0.0008448500000000, -0.0016528300000000, -0.0003338200000000 ] - [ 0.0001371900000000, -0.0017766200000000, -0.0017674600000000 ] - [ 0.0001371900000000, 0.0017766200000000, -0.0017674600000000 ] - [ 0.0008448500000000, 0.0016528300000000, -0.0003338200000000 ] - [ -0.0047478000000000, 0.0089775100000000, 0.0037663500000000 ] - [ -0.0031154500000000, 0.0028952600000000, 0.0001438900000000 ] - [ -0.0147658600000000, -0.0237371900000000, 0.0244234800000000 ] - [ -0.0151696400000000, -0.0192099000000000, -0.0163623600000000 ] - [ -0.0034329800000000, -0.0006308200000000, -0.0004141400000000 ] - [ 0.0027776100000000, -0.0023778500000000, 0.0034362300000000 ] - [ 0.0027776100000000, 0.0023778500000000, 0.0034362300000000 ] - [ -0.0034329800000000, 0.0006308200000000, -0.0004141400000000 ] - [ -0.0151696400000000, 0.0192099000000000, -0.0163623600000000 ] - [ -0.0147658600000000, 0.0237371900000000, 0.0244234800000000 ] - [ -0.0105250300000000, 0.0021880800000000, 0.0011607000000000 ] - [ 0.0132062500000000, 0.0013212200000000, -0.0005817800000000 ] - [ 0.0014241900000000, -0.0036631100000000, -0.0019296700000000 ] - [ -0.0058525600000000, -0.0060124700000000, 0.0035998500000000 ] - [ -0.0058525600000000, 0.0060124700000000, 0.0035998500000000 ] - [ 0.0014241900000000, 0.0036631100000000, -0.0019296700000000 ] - [ 0.0132062500000000, -0.0013212200000000, -0.0005817800000000 ] - [ -0.0105250300000000, -0.0021880800000000, 0.0011607000000000 ] - [ -0.0469479900000000, 0.0000000000000000, -0.0050787200000000 ] - [ 0.0014983000000000, 0.0000000000000000, 0.0075723000000000 ] - [ 0.0010896000000000, 0.0000000000000000, -0.0003348500000000 ] - [ -0.0013456800000000, 0.0000000000000000, -0.0002536000000000 ] - [ 0.1243309500000000, 0.0000000000000000, 0.0084767900000000 ] - [ -0.0132169500000000, 0.0000000000000000, 0.0003828900000000 ] - [ -0.0002660800000000, 0.0000000000000000, 0.0001152800000000 ] - [ 0.0024623400000000, 0.0000000000000000, 0.0000956800000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0082944100000000, 0.0153316600000000, 0.0030328100000000 ] - [ -0.0085069900000000, 0.0040995200000000, -0.0088289300000000 ] - [ -0.0017216000000000, -0.0029188500000000, -0.0004562400000000 ] - [ 0.0005428400000000, -0.0040398700000000, -0.0003619100000000 ] - [ -0.0002578400000000, -0.0035049900000000, -0.0000918700000000 ] - [ 0.0020145800000000, -0.0034499400000000, 0.0009224300000000 ] - [ 0.0081794300000000, 0.0035576400000000, 0.0083329600000000 ] - [ -0.0094131000000000, 0.0165530500000000, -0.0023507500000000 ] - [ -0.0065742900000000, 0.0039904700000000, 0.0092456400000000 ] - [ 0.0095885300000000, 0.0236392800000000, 0.0058868100000000 ] - [ 0.0004340700000000, -0.0045253000000000, 0.0010937500000000 ] - [ -0.0017528900000000, -0.0028502800000000, 0.0009538800000000 ] - [ 0.0021315100000000, -0.0038927900000000, -0.0017363700000000 ] - [ -0.0000442100000000, -0.0034815900000000, -0.0002989900000000 ] - [ -0.0091268100000000, 0.0236559800000000, -0.0060100400000000 ] - [ 0.0062025200000000, 0.0029583000000000, -0.0084716800000000 ] - [ 0.0022267500000000, -0.0067731500000000, 0.0045048400000000 ] - [ -0.0077133400000000, -0.0075562700000000, -0.0008852600000000 ] - [ -0.0008720600000000, -0.0001834100000000, -0.0001913800000000 ] - [ -0.0056420800000000, -0.0079317700000000, 0.0013648100000000 ] - [ -0.0040253200000000, -0.0055920100000000, 0.0016673400000000 ] - [ 0.0004044300000000, -0.0001337200000000, 0.0008842700000000 ] - [ 0.0081667200000000, -0.0075127100000000, 0.0001867300000000 ] - [ -0.0017289100000000, -0.0067977700000000, -0.0038176500000000 ] - [ -0.0001865200000000, -0.0027045300000000, -0.0001919200000000 ] - [ -0.0001872600000000, -0.0032102800000000, 0.0001921900000000 ] - [ 0.0001836100000000, 0.0111133500000000, -0.0001738900000000 ] - [ 0.0002028100000000, 0.0060749200000000, 0.0002264600000000 ] - [ -0.0000649200000000, -0.0031656400000000, -0.0004518100000000 ] - [ -0.0000698200000000, -0.0033687800000000, 0.0004506400000000 ] - [ 0.0000529200000000, 0.0041351700000000, -0.0004395800000000 ] - [ 0.0001589500000000, 0.0103382300000000, 0.0004498500000000 ] - [ -0.0011290600000000, -0.0063107400000000, 0.0033502800000000 ] - [ 0.0012842300000000, -0.0077594500000000, 0.0048112700000000 ] - [ 0.0022612300000000, 0.0077487100000000, 0.0105770000000000 ] - [ -0.0030691300000000, 0.0055625300000000, 0.0022924900000000 ] - [ 0.0030050200000000, 0.0050759000000000, -0.0015075400000000 ] - [ -0.0023641800000000, 0.0082676100000000, -0.0113374800000000 ] - [ -0.0011672300000000, -0.0072176000000000, -0.0040210900000000 ] - [ 0.0012435000000000, -0.0068597700000000, -0.0041511400000000 ] - [ 0.0006285400000000, -0.0046749900000000, -0.0030954100000000 ] - [ -0.0001070900000000, -0.0055083800000000, -0.0011754000000000 ] - [ -0.0010163600000000, 0.0084532300000000, -0.0007842400000000 ] - [ 0.0002047500000000, 0.0022877700000000, -0.0001241900000000 ] - [ -0.0008718800000000, 0.0024364100000000, 0.0009493800000000 ] - [ 0.0002908600000000, 0.0079563500000000, -0.0005253400000000 ] - [ 0.0007744600000000, -0.0056539400000000, 0.0020042200000000 ] - [ 0.0000299500000000, -0.0045383300000000, 0.0022626400000000 ] - [ 0.0047670700000000, -0.0061127300000000, -0.0010517000000000 ] - [ -0.0024892600000000, -0.0095153500000000, 0.0039885100000000 ] - [ 0.0045023100000000, -0.0061551600000000, 0.0027427900000000 ] - [ 0.0025545700000000, 0.0009239800000000, -0.0010718300000000 ] - [ -0.0017185900000000, -0.0008347000000000, 0.0007674100000000 ] - [ -0.0036654700000000, -0.0043970100000000, -0.0024431200000000 ] - [ 0.0016271000000000, -0.0077401600000000, -0.0043007300000000 ] - [ 0.0035677800000000, -0.0056502000000000, -0.0023660800000000 ] - [ 0.0170670000000000, 0.0146911600000000, -0.0223567000000000 ] - [ 0.0243093700000000, 0.0164163300000000, 0.0233364700000000 ] - [ 0.0027030600000000, 0.0073019900000000, -0.0011955100000000 ] - [ 0.0038837300000000, 0.0073848000000000, 0.0008119900000000 ] - [ -0.0056236400000000, 0.0074039600000000, 0.0006001500000000 ] - [ -0.0044640300000000, 0.0072786000000000, -0.0002468100000000 ] - [ -0.0223344300000000, 0.0162870700000000, -0.0217020700000000 ] - [ -0.0154578200000000, 0.0147124300000000, 0.0209898400000000 ] - [ 0.0015691500000000, 0.0117938200000000, 0.0007674900000000 ] - [ -0.0019721100000000, 0.0151817200000000, 0.0026006300000000 ] - [ -0.0000857700000000, 0.0078648300000000, 0.0239509900000000 ] - [ 0.0012136000000000, -0.0040798400000000, -0.0010199400000000 ] - [ -0.0018755500000000, -0.0047475200000000, -0.0000009800000000 ] - [ -0.0005970500000000, 0.0086267700000000, -0.0230056000000000 ] - [ 0.0026298600000000, 0.0158991700000000, -0.0036230800000000 ] - [ -0.0008719600000000, 0.0110613300000000, 0.0002874500000000 ] - [ 0.0001252900000000, -0.0141035100000000, -0.0003738000000000 ] - [ 0.0002201800000000, -0.0183911300000000, 0.0002781500000000 ] - [ -0.0002268000000000, 0.0123338300000000, -0.0003047100000000 ] - [ -0.0002324800000000, 0.0107588100000000, 0.0003079400000000 ] - [ -0.0008866500000000, -0.1494019600000000, -0.0007507000000000 ] - [ -0.0008371600000000, -0.0195115100000000, 0.0002275500000000 ] - [ 0.0008558200000000, 0.0103775400000000, -0.0002205500000000 ] - [ 0.0008491600000000, 0.0132234000000000, 0.0002139400000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0029375800000000, -0.0027240200000000, 0.0065056000000000 ] - [ -0.0035294200000000, -0.0002542200000000, -0.0038380400000000 ] - [ -0.0010721300000000, -0.0012375100000000, -0.0007442600000000 ] - [ 0.0002452600000000, 0.0012082200000000, 0.0009628200000000 ] - [ 0.0002452600000000, -0.0012082200000000, 0.0009628200000000 ] - [ -0.0010721300000000, 0.0012375100000000, -0.0007442600000000 ] - [ -0.0035294200000000, 0.0002542200000000, -0.0038380400000000 ] - [ -0.0029375800000000, 0.0027240200000000, 0.0065056000000000 ] - [ 0.0015928000000000, 0.0013416200000000, -0.0001206800000000 ] - [ 0.0057213300000000, 0.0100403700000000, 0.0091910600000000 ] - [ -0.0001166800000000, -0.0024163400000000, 0.0012180200000000 ] - [ 0.0014889500000000, 0.0020659000000000, -0.0013061900000000 ] - [ 0.0014889500000000, -0.0020659000000000, -0.0013061900000000 ] - [ -0.0001166800000000, 0.0024163400000000, 0.0012180200000000 ] - [ 0.0057213300000000, -0.0100403700000000, 0.0091910600000000 ] - [ 0.0015928000000000, -0.0013416200000000, -0.0001206800000000 ] - [ 0.0001540700000000, 0.0026235200000000, -0.0002442500000000 ] - [ -0.0049608900000000, -0.0046570100000000, 0.0000750600000000 ] - [ -0.0005611700000000, -0.0005964500000000, 0.0002952500000000 ] - [ 0.0006219100000000, 0.0014269000000000, 0.0005804600000000 ] - [ 0.0048555000000000, 0.0068123700000000, -0.0049393800000000 ] - [ -0.0005611700000000, 0.0005964500000000, 0.0002952500000000 ] - [ -0.0049608900000000, 0.0046570100000000, 0.0000750600000000 ] - [ 0.0001540700000000, -0.0026235200000000, -0.0002442500000000 ] - [ -0.0002223900000000, 0.0000000000000000, 0.0011785100000000 ] - [ -0.0000901500000000, 0.0000000000000000, -0.0013970900000000 ] - [ 0.0044417700000000, 0.0000000000000000, -0.0117596200000000 ] - [ 0.0021150400000000, 0.0000000000000000, 0.0076445800000000 ] - [ -0.0006595100000000, 0.0000000000000000, 0.0005551600000000 ] - [ -0.0004850200000000, 0.0000000000000000, -0.0006617000000000 ] - [ 0.0028698800000000, 0.0000000000000000, -0.0112254500000000 ] - [ -0.0000820400000000, 0.0000000000000000, 0.0119204600000000 ] - [ -0.0002779800000000, -0.0012220200000000, 0.0011502500000000 ] - [ -0.0000229500000000, 0.0013519600000000, -0.0014359600000000 ] - [ -0.0030606300000000, -0.0089400300000000, -0.0194657700000000 ] - [ 0.0030794200000000, -0.0017631200000000, 0.0004458600000000 ] - [ 0.0030794200000000, 0.0017631200000000, 0.0004458600000000 ] - [ -0.0030606300000000, 0.0089400300000000, -0.0194657700000000 ] - [ -0.0000229500000000, -0.0013519600000000, -0.0014359600000000 ] - [ -0.0002779800000000, 0.0012220200000000, 0.0011502500000000 ] - [ 0.0001644800000000, -0.0015141100000000, -0.0016847700000000 ] - [ 0.0005616900000000, 0.0017115100000000, 0.0018347200000000 ] - [ 0.0003736300000000, -0.0007579100000000, 0.0020781100000000 ] - [ -0.0000157900000000, 0.0006692100000000, -0.0020650300000000 ] - [ -0.0000157900000000, -0.0006692100000000, -0.0020650300000000 ] - [ 0.0003736300000000, 0.0007579100000000, 0.0020781100000000 ] - [ 0.0005616900000000, -0.0017115100000000, 0.0018347200000000 ] - [ 0.0001644800000000, 0.0015141100000000, -0.0016847700000000 ] - [ 0.0006219100000000, -0.0014269000000000, 0.0005804600000000 ] - [ 0.0010039300000000, 0.0034657400000000, -0.0025484300000000 ] - [ -0.0047102400000000, 0.0048120200000000, -0.0050724600000000 ] - [ 0.0017389400000000, 0.0001023400000000, -0.0002184800000000 ] - [ 0.0017389400000000, -0.0001023400000000, -0.0002184800000000 ] - [ -0.0047102400000000, -0.0048120200000000, -0.0050724600000000 ] - [ 0.0010039300000000, -0.0034657400000000, -0.0025484300000000 ] - [ 0.0048555000000000, -0.0068123700000000, -0.0049393800000000 ] - [ -0.0077750900000000, -0.0097660200000000, 0.0025366700000000 ] - [ 0.0151137600000000, 0.0142348700000000, 0.0132735100000000 ] - [ 0.0030075400000000, 0.0055099700000000, -0.0016441100000000 ] - [ -0.0055281700000000, -0.0057527600000000, -0.0014191000000000 ] - [ -0.0055281700000000, 0.0057527600000000, -0.0014191000000000 ] - [ 0.0030075400000000, -0.0055099700000000, -0.0016441100000000 ] - [ 0.0151137600000000, -0.0142348700000000, 0.0132735100000000 ] - [ -0.0077750900000000, 0.0097660200000000, 0.0025366700000000 ] - [ 0.0011245200000000, -0.0037780100000000, -0.0002478800000000 ] - [ -0.0012731300000000, 0.0062216400000000, 0.0005161800000000 ] - [ -0.0004592800000000, 0.0126451400000000, 0.0380062800000000 ] - [ -0.0014649300000000, -0.0006022100000000, 0.0024329900000000 ] - [ -0.0014649300000000, 0.0006022100000000, 0.0024329900000000 ] - [ -0.0004592800000000, -0.0126451400000000, 0.0380062800000000 ] - [ -0.0012731300000000, -0.0062216400000000, 0.0005161800000000 ] - [ 0.0011245200000000, 0.0037780100000000, -0.0002478800000000 ] - [ -0.0106604400000000, 0.0000000000000000, -0.0135734900000000 ] - [ 0.0037817100000000, 0.0000000000000000, 0.0425115800000000 ] - [ 0.0005926200000000, 0.0000000000000000, 0.0033526600000000 ] - [ 0.0009319100000000, 0.0000000000000000, -0.0025887400000000 ] - [ -0.0101156800000000, 0.0000000000000000, -0.0982295400000000 ] - [ -0.0007395200000000, 0.0000000000000000, 0.0045631500000000 ] - [ 0.0011847100000000, 0.0000000000000000, 0.0027671800000000 ] - [ 0.0009738100000000, 0.0000000000000000, -0.0032737100000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0025470700000000, 0.0021120800000000, -0.0059613300000000 ] - [ 0.0032498600000000, 0.0007730500000000, 0.0034009200000000 ] - [ 0.0013735200000000, 0.0017899200000000, 0.0012339100000000 ] - [ 0.0000418600000000, -0.0017581600000000, -0.0014600800000000 ] - [ 0.0000418600000000, 0.0017581600000000, -0.0014600800000000 ] - [ 0.0013735200000000, -0.0017899200000000, 0.0012339100000000 ] - [ 0.0032498600000000, -0.0007730500000000, 0.0034009200000000 ] - [ 0.0025470700000000, -0.0021120800000000, -0.0059613300000000 ] - [ -0.0019880200000000, -0.0002725800000000, 0.0009731900000000 ] - [ -0.0057730000000000, -0.0106354900000000, -0.0098025300000000 ] - [ 0.0005007900000000, 0.0013880100000000, -0.0004509500000000 ] - [ -0.0011206200000000, -0.0010327800000000, 0.0005310700000000 ] - [ -0.0011206200000000, 0.0010327800000000, 0.0005310700000000 ] - [ 0.0005007900000000, -0.0013880100000000, -0.0004509500000000 ] - [ -0.0057730000000000, 0.0106354900000000, -0.0098025300000000 ] - [ -0.0019880200000000, 0.0002725800000000, 0.0009731900000000 ] - [ 0.0003472500000000, -0.0026106500000000, 0.0009911100000000 ] - [ 0.0054729600000000, 0.0046441500000000, -0.0007639500000000 ] - [ 0.0000931500000000, 0.0005552200000000, 0.0003902100000000 ] - [ -0.0015224000000000, -0.0032611800000000, -0.0002582700000000 ] - [ -0.0053768500000000, -0.0068347500000000, 0.0042453500000000 ] - [ 0.0000931500000000, -0.0005552200000000, 0.0003902100000000 ] - [ 0.0054729600000000, -0.0046441500000000, -0.0007639500000000 ] - [ 0.0003472500000000, 0.0026106500000000, 0.0009911100000000 ] - [ -0.0001449300000000, 0.0000000000000000, -0.0015843100000000 ] - [ -0.0002790700000000, 0.0000000000000000, 0.0018025000000000 ] - [ -0.0041569400000000, 0.0000000000000000, 0.0120734300000000 ] - [ -0.0017478100000000, 0.0000000000000000, -0.0072493000000000 ] - [ 0.0005319600000000, 0.0000000000000000, -0.0014922500000000 ] - [ 0.0003536600000000, 0.0000000000000000, 0.0015968100000000 ] - [ -0.0026717200000000, 0.0000000000000000, 0.0102804200000000 ] - [ 0.0004192100000000, 0.0000000000000000, -0.0110711500000000 ] - [ 0.0004003900000000, 0.0017803000000000, -0.0019737100000000 ] - [ 0.0001450700000000, -0.0019047000000000, 0.0022598500000000 ] - [ 0.0029469000000000, 0.0083393000000000, 0.0186211200000000 ] - [ -0.0031900500000000, 0.0022813400000000, 0.0003411900000000 ] - [ -0.0031900500000000, -0.0022813400000000, 0.0003411900000000 ] - [ 0.0029469000000000, -0.0083393000000000, 0.0186211200000000 ] - [ 0.0001450700000000, 0.0019047000000000, 0.0022598500000000 ] - [ 0.0004003900000000, -0.0017803000000000, -0.0019737100000000 ] - [ 0.0004939100000000, 0.0013774100000000, 0.0008722400000000 ] - [ 0.0000996700000000, -0.0015705400000000, -0.0010090400000000 ] - [ -0.0011380300000000, 0.0014964200000000, -0.0036564600000000 ] - [ -0.0006454800000000, -0.0008159900000000, 0.0028876800000000 ] - [ -0.0006454800000000, 0.0008159900000000, 0.0028876800000000 ] - [ -0.0011380300000000, -0.0014964200000000, -0.0036564600000000 ] - [ 0.0000996700000000, 0.0015705400000000, -0.0010090400000000 ] - [ 0.0004939100000000, -0.0013774100000000, 0.0008722400000000 ] - [ -0.0015224000000000, 0.0032611800000000, -0.0002582700000000 ] - [ -0.0018736100000000, -0.0052851400000000, 0.0022919200000000 ] - [ 0.0056088600000000, -0.0066522600000000, 0.0053781400000000 ] - [ -0.0009000600000000, 0.0016752200000000, -0.0000932200000000 ] - [ -0.0009000600000000, -0.0016752200000000, -0.0000932200000000 ] - [ 0.0056088600000000, 0.0066522600000000, 0.0053781400000000 ] - [ -0.0018736100000000, 0.0052851400000000, 0.0022919200000000 ] - [ -0.0053768500000000, 0.0068347500000000, 0.0042453500000000 ] - [ 0.0095454400000000, 0.0098283800000000, -0.0042022200000000 ] - [ -0.0133677400000000, -0.0142033100000000, -0.0119434200000000 ] - [ -0.0048038100000000, -0.0055778500000000, 0.0002328900000000 ] - [ 0.0038312000000000, 0.0058102700000000, 0.0028876900000000 ] - [ 0.0038312000000000, -0.0058102700000000, 0.0028876900000000 ] - [ -0.0048038100000000, 0.0055778500000000, 0.0002328900000000 ] - [ -0.0133677400000000, 0.0142033100000000, -0.0119434200000000 ] - [ 0.0095454400000000, -0.0098283800000000, -0.0042022200000000 ] - [ -0.0004309400000000, 0.0045581700000000, 0.0013039600000000 ] - [ 0.0019607700000000, -0.0069987800000000, -0.0015957200000000 ] - [ -0.0002506600000000, -0.0137072800000000, -0.0372384900000000 ] - [ 0.0008006400000000, 0.0013265200000000, -0.0034504400000000 ] - [ 0.0008006400000000, -0.0013265200000000, -0.0034504400000000 ] - [ -0.0002506600000000, 0.0137072800000000, -0.0372384900000000 ] - [ 0.0019607700000000, 0.0069987800000000, -0.0015957200000000 ] - [ -0.0004309400000000, -0.0045581700000000, 0.0013039600000000 ] - [ 0.0110688100000000, 0.0000000000000000, 0.0129760700000000 ] - [ -0.0034477100000000, 0.0000000000000000, -0.0414864900000000 ] - [ -0.0010475000000000, 0.0000000000000000, -0.0039923700000000 ] - [ -0.0013964800000000, 0.0000000000000000, 0.0032303800000000 ] - [ 0.0081209500000000, 0.0000000000000000, 0.0986197500000000 ] - [ -0.0010026700000000, 0.0000000000000000, -0.0041769000000000 ] - [ 0.0005175000000000, 0.0000000000000000, -0.0032343200000000 ] - [ 0.0007266700000000, 0.0000000000000000, 0.0037425100000000 ]