# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/3967934f-d873-4f47-9f99-ce0055d952bb/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 Ba(BrO3)2 / C2/c (15) / materials id 554626](https://mdr.nims.go.jp/datasets/84e3f04a-b82d-4122-abde-f038ac84a0e2) ## 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: "C2/c" number: 15 Hall_symbol: "-C 2yc"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 6.123489205000000, -4.019815350000000, -0.000200155000000 ] # a - [ 6.123489205000000, 4.019815350000000, -0.000200155000000 ] # b - [ -5.383049870000000, 0.000000000000000, 6.540044220000000 ] # c points: - symbol: Ba # 1 coordinates: [ 0.147337440000000, 0.852662560000000, 0.750000000000000 ] mass: 137.327000 - symbol: Ba # 2 coordinates: [ 0.852662560000000, 0.147337440000000, 0.250000000000000 ] mass: 137.327000 - symbol: Br # 3 coordinates: [ 0.699812620000000, 0.676933900000000, 0.681564240000000 ] mass: 79.904000 - symbol: Br # 4 coordinates: [ 0.300187380000000, 0.323066100000000, 0.318435760000000 ] mass: 79.904000 - symbol: Br # 5 coordinates: [ 0.676933900000000, 0.699812620000000, 0.181564240000000 ] mass: 79.904000 - symbol: Br # 6 coordinates: [ 0.323066100000000, 0.300187380000000, 0.818435760000000 ] mass: 79.904000 - symbol: O # 7 coordinates: [ 0.198175110000000, 0.087906990000000, 0.152970390000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.912093010000000, 0.801824890000000, 0.347029610000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.801824890000000, 0.912093010000000, 0.847029610000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.406366070000000, 0.217231110000000, 0.001492240000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.754409820000000, 0.430043640000000, 0.077182250000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.087906990000000, 0.198175110000000, 0.652970390000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.593633930000000, 0.782768890000000, 0.998507760000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.782768890000000, 0.593633930000000, 0.498507760000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.217231110000000, 0.406366070000000, 0.501492240000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.430043640000000, 0.754409820000000, 0.577182250000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.245590180000000, 0.569956360000000, 0.922817750000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.569956360000000, 0.245590180000000, 0.422817750000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.081654990410136, -0.124383822754446, 0.067209466897478 ] # a* - [ 0.081654990410136, 0.124383822754446, 0.067209466897478 ] # b* - [ 0.000004998025718, 0.000000000000000, 0.152908278748870 ] # c*unit_cell: lattice: - [ 12.246978410000001, 0.000000000000000, -0.000400310000000 ] # a - [ 0.000000000000000, 8.039630700000000, 0.000000000000000 ] # b - [ -5.383049870000000, 0.000000000000000, 6.540044220000000 ] # c points: - symbol: Ba # 1 coordinates: [ 0.000000000000000, 0.852662560000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.500000000000000, 0.647337440000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 2 - symbol: Ba # 3 coordinates: [ 0.500000000000000, 0.352662560000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 4 coordinates: [ 0.000000000000000, 0.147337440000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 2 - symbol: Br # 5 coordinates: [ 0.188373260000000, 0.488560640000000, 0.681564240000000 ] mass: 79.904000 reduced_to: 5 - symbol: Br # 6 coordinates: [ 0.311626740000000, 0.011439360000000, 0.318435760000000 ] mass: 79.904000 reduced_to: 6 - symbol: Br # 7 coordinates: [ 0.188373260000000, 0.511439360000000, 0.181564240000000 ] mass: 79.904000 reduced_to: 7 - symbol: Br # 8 coordinates: [ 0.311626740000000, 0.988560640000000, 0.818435760000000 ] mass: 79.904000 reduced_to: 8 - symbol: Br # 9 coordinates: [ 0.688373260000000, 0.988560640000000, 0.681564240000000 ] mass: 79.904000 reduced_to: 5 - symbol: Br # 10 coordinates: [ 0.811626740000000, 0.511439360000000, 0.318435760000000 ] mass: 79.904000 reduced_to: 6 - symbol: Br # 11 coordinates: [ 0.688373260000000, 0.011439360000000, 0.181564240000000 ] mass: 79.904000 reduced_to: 7 - symbol: Br # 12 coordinates: [ 0.811626740000000, 0.488560640000000, 0.818435760000000 ] mass: 79.904000 reduced_to: 8 - symbol: O # 13 coordinates: [ 0.143041050000000, 0.944865940000000, 0.152970390000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.856958950000000, 0.944865940000000, 0.347029610000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.356958950000000, 0.555134060000000, 0.847029610000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.311798590000000, 0.905432520000000, 0.001492240000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.592226730000000, 0.837816910000000, 0.077182250000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.643041050000000, 0.555134060000000, 0.652970390000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.188201410000000, 0.594567480000000, 0.998507760000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.188201410000000, 0.405432520000000, 0.498507760000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.311798590000000, 0.094567480000000, 0.501492240000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.092226730000000, 0.662183090000000, 0.577182250000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.907773270000000, 0.662183090000000, 0.922817750000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.407773270000000, 0.837816910000000, 0.422817750000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.643041050000000, 0.444865940000000, 0.152970390000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 26 coordinates: [ 0.356958950000000, 0.444865940000000, 0.347029610000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 27 coordinates: [ 0.856958950000000, 0.055134060000000, 0.847029610000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 28 coordinates: [ 0.811798590000000, 0.405432520000000, 0.001492240000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 29 coordinates: [ 0.092226730000000, 0.337816910000000, 0.077182250000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 30 coordinates: [ 0.143041050000000, 0.055134060000000, 0.652970390000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 31 coordinates: [ 0.688201410000000, 0.094567480000000, 0.998507760000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 32 coordinates: [ 0.688201410000000, 0.905432520000000, 0.498507760000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 33 coordinates: [ 0.811798590000000, 0.594567480000000, 0.501492240000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 34 coordinates: [ 0.592226730000000, 0.162183090000000, 0.577182250000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 35 coordinates: [ 0.407773270000000, 0.162183090000000, 0.922817750000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 36 coordinates: [ 0.907773270000000, 0.337816910000000, 0.422817750000000 ] mass: 15.999400 reduced_to: 24supercell: lattice: - [ 12.246978410000001, 0.000000000000000, -0.000400310000000 ] # a - [ 0.000000000000000, 16.079261400000000, 0.000000000000000 ] # b - [ -10.766099740000000, 0.000000000000000, 13.080088440000001 ] # c points: - symbol: Ba # 1 coordinates: [ 0.000000000000000, 0.426331280000000, 0.375000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.000000000000000, 0.926331280000000, 0.375000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 3 coordinates: [ 0.000000000000000, 0.426331280000000, 0.875000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 4 coordinates: [ 0.000000000000000, 0.926331280000000, 0.875000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 5 coordinates: [ 0.500000000000000, 0.323668720000000, 0.125000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 6 coordinates: [ 0.500000000000000, 0.823668720000000, 0.125000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 7 coordinates: [ 0.500000000000000, 0.323668720000000, 0.625000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 8 coordinates: [ 0.500000000000000, 0.823668720000000, 0.625000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 9 coordinates: [ 0.500000000000000, 0.176331280000000, 0.375000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 10 coordinates: [ 0.500000000000000, 0.676331280000000, 0.375000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 11 coordinates: [ 0.500000000000000, 0.176331280000000, 0.875000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 12 coordinates: [ 0.500000000000000, 0.676331280000000, 0.875000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 13 coordinates: [ 0.000000000000000, 0.073668720000000, 0.125000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 14 coordinates: [ 0.000000000000000, 0.573668720000000, 0.125000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 15 coordinates: [ 0.000000000000000, 0.073668720000000, 0.625000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Ba # 16 coordinates: [ 0.000000000000000, 0.573668720000000, 0.625000000000000 ] mass: 137.327000 reduced_to: 5 - symbol: Br # 17 coordinates: [ 0.188373260000000, 0.244280320000000, 0.340782120000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 18 coordinates: [ 0.188373260000000, 0.744280320000000, 0.340782120000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 19 coordinates: [ 0.188373260000000, 0.244280320000000, 0.840782120000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 20 coordinates: [ 0.188373260000000, 0.744280320000000, 0.840782120000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 21 coordinates: [ 0.311626740000000, 0.005719680000000, 0.159217880000000 ] mass: 79.904000 reduced_to: 21 - symbol: Br # 22 coordinates: [ 0.311626740000000, 0.505719680000000, 0.159217880000000 ] mass: 79.904000 reduced_to: 21 - symbol: Br # 23 coordinates: [ 0.311626740000000, 0.005719680000000, 0.659217880000000 ] mass: 79.904000 reduced_to: 21 - symbol: Br # 24 coordinates: [ 0.311626740000000, 0.505719680000000, 0.659217880000000 ] mass: 79.904000 reduced_to: 21 - symbol: Br # 25 coordinates: [ 0.188373260000000, 0.255719680000000, 0.090782120000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 26 coordinates: [ 0.188373260000000, 0.755719680000000, 0.090782120000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 27 coordinates: [ 0.188373260000000, 0.255719680000000, 0.590782120000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 28 coordinates: [ 0.188373260000000, 0.755719680000000, 0.590782120000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 29 coordinates: [ 0.311626740000000, 0.494280320000000, 0.409217880000000 ] mass: 79.904000 reduced_to: 29 - symbol: Br # 30 coordinates: [ 0.311626740000000, 0.994280320000000, 0.409217880000000 ] mass: 79.904000 reduced_to: 29 - symbol: Br # 31 coordinates: [ 0.311626740000000, 0.494280320000000, 0.909217880000000 ] mass: 79.904000 reduced_to: 29 - symbol: Br # 32 coordinates: [ 0.311626740000000, 0.994280320000000, 0.909217880000000 ] mass: 79.904000 reduced_to: 29 - symbol: Br # 33 coordinates: [ 0.688373260000000, 0.494280320000000, 0.340782120000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 34 coordinates: [ 0.688373260000000, 0.994280320000000, 0.340782120000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 35 coordinates: [ 0.688373260000000, 0.494280320000000, 0.840782120000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 36 coordinates: [ 0.688373260000000, 0.994280320000000, 0.840782120000000 ] mass: 79.904000 reduced_to: 17 - symbol: Br # 37 coordinates: [ 0.811626740000000, 0.255719680000000, 0.159217880000000 ] mass: 79.904000 reduced_to: 21 - symbol: Br # 38 coordinates: [ 0.811626740000000, 0.755719680000000, 0.159217880000000 ] mass: 79.904000 reduced_to: 21 - symbol: Br # 39 coordinates: [ 0.811626740000000, 0.255719680000000, 0.659217880000000 ] mass: 79.904000 reduced_to: 21 - symbol: Br # 40 coordinates: [ 0.811626740000000, 0.755719680000000, 0.659217880000000 ] mass: 79.904000 reduced_to: 21 - symbol: Br # 41 coordinates: [ 0.688373260000000, 0.005719680000000, 0.090782120000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 42 coordinates: [ 0.688373260000000, 0.505719680000000, 0.090782120000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 43 coordinates: [ 0.688373260000000, 0.005719680000000, 0.590782120000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 44 coordinates: [ 0.688373260000000, 0.505719680000000, 0.590782120000000 ] mass: 79.904000 reduced_to: 25 - symbol: Br # 45 coordinates: [ 0.811626740000000, 0.244280320000000, 0.409217880000000 ] mass: 79.904000 reduced_to: 29 - symbol: Br # 46 coordinates: [ 0.811626740000000, 0.744280320000000, 0.409217880000000 ] mass: 79.904000 reduced_to: 29 - symbol: Br # 47 coordinates: [ 0.811626740000000, 0.244280320000000, 0.909217880000000 ] mass: 79.904000 reduced_to: 29 - symbol: Br # 48 coordinates: [ 0.811626740000000, 0.744280320000000, 0.909217880000000 ] mass: 79.904000 reduced_to: 29 - symbol: O # 49 coordinates: [ 0.143041050000000, 0.472432970000000, 0.076485195000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.143041050000000, 0.972432970000000, 0.076485195000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.143041050000000, 0.472432970000000, 0.576485195000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.143041050000000, 0.972432970000000, 0.576485195000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.856958950000000, 0.472432970000000, 0.173514805000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.856958950000000, 0.972432970000000, 0.173514805000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.856958950000000, 0.472432970000000, 0.673514805000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.856958950000000, 0.972432970000000, 0.673514805000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.356958950000000, 0.277567030000000, 0.423514805000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.356958950000000, 0.777567030000000, 0.423514805000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.356958950000000, 0.277567030000000, 0.923514805000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.356958950000000, 0.777567030000000, 0.923514805000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.311798590000000, 0.452716260000000, 0.000746120000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.311798590000000, 0.952716260000000, 0.000746120000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.311798590000000, 0.452716260000000, 0.500746120000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.311798590000000, 0.952716260000000, 0.500746120000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.592226730000000, 0.418908455000000, 0.038591125000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.592226730000000, 0.918908455000000, 0.038591125000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.592226730000000, 0.418908455000000, 0.538591125000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.592226730000000, 0.918908455000000, 0.538591125000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.643041050000000, 0.277567030000000, 0.326485195000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.643041050000000, 0.777567030000000, 0.326485195000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.643041050000000, 0.277567030000000, 0.826485195000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.643041050000000, 0.777567030000000, 0.826485195000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.188201410000000, 0.297283740000000, 0.499253880000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.188201410000000, 0.797283740000000, 0.499253880000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.188201410000000, 0.297283740000000, 0.999253880000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.188201410000000, 0.797283740000000, 0.999253880000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.188201410000000, 0.202716260000000, 0.249253880000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.188201410000000, 0.702716260000000, 0.249253880000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.188201410000000, 0.202716260000000, 0.749253880000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.188201410000000, 0.702716260000000, 0.749253880000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 81 coordinates: [ 0.311798590000000, 0.047283740000000, 0.250746120000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.311798590000000, 0.547283740000000, 0.250746120000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.311798590000000, 0.047283740000000, 0.750746120000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.311798590000000, 0.547283740000000, 0.750746120000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.092226730000000, 0.331091545000000, 0.288591125000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.092226730000000, 0.831091545000000, 0.288591125000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.092226730000000, 0.331091545000000, 0.788591125000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.092226730000000, 0.831091545000000, 0.788591125000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.907773270000000, 0.331091545000000, 0.461408875000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.907773270000000, 0.831091545000000, 0.461408875000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.907773270000000, 0.331091545000000, 0.961408875000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.907773270000000, 0.831091545000000, 0.961408875000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.407773270000000, 0.418908455000000, 0.211408875000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.407773270000000, 0.918908455000000, 0.211408875000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.407773270000000, 0.418908455000000, 0.711408875000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 96 coordinates: [ 0.407773270000000, 0.918908455000000, 0.711408875000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 97 coordinates: [ 0.643041050000000, 0.222432970000000, 0.076485195000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 98 coordinates: [ 0.643041050000000, 0.722432970000000, 0.076485195000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 99 coordinates: [ 0.643041050000000, 0.222432970000000, 0.576485195000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 100 coordinates: [ 0.643041050000000, 0.722432970000000, 0.576485195000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 101 coordinates: [ 0.356958950000000, 0.222432970000000, 0.173514805000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 102 coordinates: [ 0.356958950000000, 0.722432970000000, 0.173514805000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 103 coordinates: [ 0.356958950000000, 0.222432970000000, 0.673514805000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 104 coordinates: [ 0.356958950000000, 0.722432970000000, 0.673514805000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 105 coordinates: [ 0.856958950000000, 0.027567030000000, 0.423514805000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 106 coordinates: [ 0.856958950000000, 0.527567030000000, 0.423514805000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 107 coordinates: [ 0.856958950000000, 0.027567030000000, 0.923514805000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 108 coordinates: [ 0.856958950000000, 0.527567030000000, 0.923514805000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 109 coordinates: [ 0.811798590000000, 0.202716260000000, 0.000746120000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 110 coordinates: [ 0.811798590000000, 0.702716260000000, 0.000746120000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 111 coordinates: [ 0.811798590000000, 0.202716260000000, 0.500746120000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 112 coordinates: [ 0.811798590000000, 0.702716260000000, 0.500746120000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 113 coordinates: [ 0.092226730000000, 0.168908455000000, 0.038591125000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 114 coordinates: [ 0.092226730000000, 0.668908455000000, 0.038591125000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 115 coordinates: [ 0.092226730000000, 0.168908455000000, 0.538591125000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 116 coordinates: [ 0.092226730000000, 0.668908455000000, 0.538591125000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 117 coordinates: [ 0.143041050000000, 0.027567030000000, 0.326485195000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 118 coordinates: [ 0.143041050000000, 0.527567030000000, 0.326485195000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 119 coordinates: [ 0.143041050000000, 0.027567030000000, 0.826485195000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 120 coordinates: [ 0.143041050000000, 0.527567030000000, 0.826485195000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 121 coordinates: [ 0.688201410000000, 0.047283740000000, 0.499253880000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 122 coordinates: [ 0.688201410000000, 0.547283740000000, 0.499253880000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 123 coordinates: [ 0.688201410000000, 0.047283740000000, 0.999253880000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 124 coordinates: [ 0.688201410000000, 0.547283740000000, 0.999253880000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 125 coordinates: [ 0.688201410000000, 0.452716260000000, 0.249253880000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 126 coordinates: [ 0.688201410000000, 0.952716260000000, 0.249253880000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 127 coordinates: [ 0.688201410000000, 0.452716260000000, 0.749253880000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 128 coordinates: [ 0.688201410000000, 0.952716260000000, 0.749253880000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 129 coordinates: [ 0.811798590000000, 0.297283740000000, 0.250746120000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 130 coordinates: [ 0.811798590000000, 0.797283740000000, 0.250746120000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 131 coordinates: [ 0.811798590000000, 0.297283740000000, 0.750746120000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 132 coordinates: [ 0.811798590000000, 0.797283740000000, 0.750746120000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 133 coordinates: [ 0.592226730000000, 0.081091545000000, 0.288591125000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 134 coordinates: [ 0.592226730000000, 0.581091545000000, 0.288591125000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 135 coordinates: [ 0.592226730000000, 0.081091545000000, 0.788591125000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 136 coordinates: [ 0.592226730000000, 0.581091545000000, 0.788591125000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 137 coordinates: [ 0.407773270000000, 0.081091545000000, 0.461408875000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 138 coordinates: [ 0.407773270000000, 0.581091545000000, 0.461408875000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 139 coordinates: [ 0.407773270000000, 0.081091545000000, 0.961408875000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 140 coordinates: [ 0.407773270000000, 0.581091545000000, 0.961408875000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 141 coordinates: [ 0.907773270000000, 0.168908455000000, 0.211408875000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 142 coordinates: [ 0.907773270000000, 0.668908455000000, 0.211408875000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 143 coordinates: [ 0.907773270000000, 0.168908455000000, 0.711408875000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 144 coordinates: [ 0.907773270000000, 0.668908455000000, 0.711408875000000 ] mass: 15.999400 reduced_to: 93displacements:- atom: 1 displacement: [ 0.0099999999946580, 0.0000000000000000, -0.0000003268642978 ] forces: - [ -0.0562628800000000, 0.0000483900000000, 0.0044187200000000 ] - [ -0.0007653400000000, 0.0000382100000000, 0.0000599800000000 ] - [ 0.0005744600000000, 0.0000375600000000, 0.0000713400000000 ] - [ 0.0001967900000000, 0.0000381600000000, -0.0000876600000000 ] - [ 0.0016623400000000, 0.0015833800000000, 0.0036138700000000 ] - [ 0.0000292300000000, -0.0003503300000000, 0.0003406900000000 ] - [ 0.0016517100000000, -0.0016700700000000, 0.0036337500000000 ] - [ 0.0000261900000000, 0.0002760800000000, 0.0003430700000000 ] - [ 0.0036689900000000, 0.0000340600000000, 0.0004038900000000 ] - [ 0.0036691500000000, 0.0000440500000000, -0.0012335300000000 ] - [ -0.0003861500000000, 0.0000401900000000, 0.0007697700000000 ] - [ -0.0003859400000000, 0.0000336500000000, 0.0001227100000000 ] - [ -0.0006036100000000, -0.0007330600000000, -0.0007513400000000 ] - [ 0.0005911300000000, 0.0015915200000000, -0.0036217700000000 ] - [ -0.0005983700000000, 0.0006579900000000, -0.0007504900000000 ] - [ 0.0006079600000000, -0.0016618700000000, -0.0036035400000000 ] - [ 0.0073710600000000, -0.0110329000000000, 0.0011970100000000 ] - [ -0.0004768600000000, 0.0019383700000000, -0.0000691200000000 ] - [ 0.0003368400000000, 0.0003788000000000, 0.0002871600000000 ] - [ 0.0003411900000000, -0.0002338800000000, -0.0000218500000000 ] - [ 0.0005252900000000, -0.0002762900000000, -0.0002785600000000 ] - [ 0.0039337100000000, -0.0019734500000000, 0.0007367600000000 ] - [ -0.0004031000000000, -0.0001053300000000, -0.0000464800000000 ] - [ -0.0041889400000000, 0.0014630500000000, 0.0019709100000000 ] - [ 0.0019715600000000, 0.0003692400000000, -0.0006148400000000 ] - [ 0.0007501000000000, 0.0002747400000000, 0.0002815000000000 ] - [ -0.0063033900000000, -0.0025076800000000, 0.0013839000000000 ] - [ -0.0009298100000000, -0.0003574800000000, 0.0000174800000000 ] - [ 0.0210805000000000, 0.0078230700000000, 0.0027274500000000 ] - [ -0.0000267300000000, -0.0005090300000000, 0.0001222700000000 ] - [ -0.0005862100000000, -0.0002061400000000, 0.0004193200000000 ] - [ -0.0001377300000000, 0.0000579800000000, -0.0001282300000000 ] - [ 0.0210253400000000, -0.0077452000000000, 0.0029686500000000 ] - [ 0.0001577600000000, 0.0004887600000000, 0.0003948100000000 ] - [ -0.0004192500000000, 0.0001920600000000, 0.0006940400000000 ] - [ 0.0000417000000000, -0.0000738000000000, 0.0001440800000000 ] - [ -0.0065358000000000, 0.0025717300000000, 0.0011612300000000 ] - [ -0.0011086800000000, 0.0003705400000000, -0.0002563300000000 ] - [ 0.0017923000000000, -0.0003538900000000, -0.0008815100000000 ] - [ 0.0005699700000000, -0.0002541200000000, 0.0000140100000000 ] - [ -0.0002197500000000, 0.0001263500000000, 0.0002245300000000 ] - [ -0.0039403800000000, -0.0014625100000000, 0.0022953900000000 ] - [ 0.0007063800000000, 0.0002937200000000, -0.0000042300000000 ] - [ 0.0041164700000000, 0.0019912000000000, 0.0010250000000000 ] - [ 0.0071600400000000, 0.0109563200000000, 0.0009536000000000 ] - [ -0.0006492100000000, -0.0019498500000000, -0.0003405300000000 ] - [ 0.0001500300000000, -0.0003995700000000, 0.0000145100000000 ] - [ 0.0001557500000000, 0.0002144500000000, -0.0002938200000000 ] - [ -0.0015215900000000, -0.0001145400000000, -0.0003795300000000 ] - [ -0.0003716200000000, -0.0000474800000000, -0.0000973300000000 ] - [ 0.0036120100000000, -0.0003957900000000, -0.0019750000000000 ] - [ -0.0000120500000000, -0.0000174200000000, -0.0001276800000000 ] - [ 0.0040518000000000, 0.0002363600000000, -0.0016912100000000 ] - [ 0.0004716600000000, -0.0001525800000000, 0.0001670000000000 ] - [ -0.0010425600000000, -0.0000537300000000, -0.0000922700000000 ] - [ 0.0001108700000000, -0.0001216000000000, 0.0001960100000000 ] - [ -0.0026385000000000, 0.0010820300000000, -0.0015320600000000 ] - [ 0.0000115200000000, -0.0003840100000000, 0.0001464100000000 ] - [ 0.0000908000000000, -0.0001252200000000, -0.0003599800000000 ] - [ 0.0002757100000000, 0.0001400600000000, 0.0001848200000000 ] - [ 0.0003208100000000, 0.0005170200000000, -0.0003643900000000 ] - [ 0.0003044800000000, 0.0003435200000000, 0.0001732700000000 ] - [ -0.0013650700000000, -0.0001365500000000, 0.0003478000000000 ] - [ 0.0005532400000000, 0.0004673100000000, -0.0000933100000000 ] - [ 0.0012386300000000, 0.0013172600000000, -0.0003468700000000 ] - [ -0.0000768700000000, 0.0000381300000000, -0.0003284300000000 ] - [ -0.0025776600000000, -0.0012565000000000, -0.0017799000000000 ] - [ -0.0005008100000000, -0.0002562800000000, -0.0004260000000000 ] - [ -0.0031182100000000, -0.0009022400000000, -0.0018272200000000 ] - [ -0.0004752600000000, 0.0005509400000000, -0.0001485700000000 ] - [ -0.0003894200000000, 0.0002944100000000, -0.0006548200000000 ] - [ -0.0002056600000000, 0.0000292800000000, -0.0001093400000000 ] - [ 0.0058002300000000, -0.0020676400000000, -0.0009182300000000 ] - [ 0.0001410100000000, -0.0003067800000000, -0.0004528800000000 ] - [ -0.0011132600000000, -0.0004519300000000, 0.0000626900000000 ] - [ -0.0005597000000000, -0.0003591600000000, -0.0001091300000000 ] - [ -0.0035180400000000, 0.0030122800000000, 0.0026202400000000 ] - [ -0.0005334200000000, -0.0004283500000000, -0.0000121200000000 ] - [ -0.0000044500000000, 0.0002444400000000, -0.0004299500000000 ] - [ -0.0003474000000000, 0.0005981200000000, 0.0001080200000000 ] - [ -0.0001030400000000, -0.0001218500000000, 0.0003986500000000 ] - [ -0.0024775600000000, -0.0000876900000000, 0.0019669500000000 ] - [ 0.0005519700000000, -0.0003110500000000, 0.0000678300000000 ] - [ 0.0012315600000000, -0.0001845100000000, 0.0000004000000000 ] - [ 0.0047168500000000, 0.0022354800000000, -0.0039098400000000 ] - [ 0.0000819700000000, -0.0005550700000000, -0.0001016700000000 ] - [ -0.0003170400000000, -0.0000978800000000, -0.0001818600000000 ] - [ -0.0002830900000000, 0.0000945800000000, -0.0003324400000000 ] - [ 0.0048497300000000, -0.0024323400000000, -0.0031431800000000 ] - [ 0.0004612300000000, 0.0005584000000000, 0.0005408100000000 ] - [ 0.0000676500000000, 0.0001061200000000, 0.0004636900000000 ] - [ 0.0001001400000000, -0.0000888000000000, 0.0003116900000000 ] - [ -0.0021924400000000, 0.0012498700000000, -0.0011278800000000 ] - [ -0.0001192100000000, 0.0002502200000000, 0.0002183900000000 ] - [ 0.0016381000000000, -0.0013351600000000, 0.0003050600000000 ] - [ 0.0003053400000000, -0.0000443200000000, 0.0003151500000000 ] - [ 0.0001012700000000, -0.0008093100000000, -0.0016529700000000 ] - [ 0.0002288200000000, 0.0000449100000000, -0.0000369600000000 ] - [ -0.0013513200000000, -0.0000380200000000, -0.0002814600000000 ] - [ -0.0007681900000000, -0.0002722400000000, -0.0003592400000000 ] - [ -0.0008661200000000, -0.0001308000000000, 0.0000162900000000 ] - [ -0.0002826300000000, 0.0000999900000000, -0.0000615600000000 ] - [ 0.0005885700000000, 0.0006288300000000, -0.0013367200000000 ] - [ 0.0007132200000000, -0.0002129000000000, 0.0002561200000000 ] - [ 0.0003134300000000, -0.0002755500000000, 0.0001151200000000 ] - [ 0.0010394300000000, -0.0024906700000000, -0.0013395900000000 ] - [ 0.0002303300000000, 0.0001194000000000, 0.0002188300000000 ] - [ 0.0002045300000000, 0.0000967900000000, 0.0002356000000000 ] - [ 0.0007464100000000, 0.0004484200000000, -0.0001468300000000 ] - [ 0.0004029000000000, 0.0000952400000000, 0.0003925700000000 ] - [ -0.0027799900000000, -0.0023334700000000, 0.0029001100000000 ] - [ 0.0002106500000000, 0.0011179400000000, 0.0002730400000000 ] - [ -0.0006752200000000, -0.0002671800000000, -0.0002344000000000 ] - [ -0.0005651500000000, -0.0003774900000000, -0.0003589900000000 ] - [ 0.0024402200000000, 0.0019175400000000, 0.0008958800000000 ] - [ 0.0005833200000000, 0.0005901700000000, -0.0000731200000000 ] - [ -0.0001681200000000, 0.0004450700000000, -0.0001781500000000 ] - [ 0.0008301900000000, 0.0028510500000000, -0.0017046900000000 ] - [ -0.0002536800000000, 0.0000496100000000, -0.0000756100000000 ] - [ -0.0002837300000000, 0.0000730400000000, -0.0000600900000000 ] - [ -0.0008502500000000, -0.0005699600000000, 0.0001123200000000 ] - [ -0.0032188700000000, -0.0006070000000000, 0.0016715700000000 ] - [ -0.0001953900000000, -0.0003835600000000, -0.0002162100000000 ] - [ 0.0004871800000000, -0.0004930500000000, -0.0003083200000000 ] - [ -0.0023007500000000, 0.0008584500000000, -0.0000367900000000 ] - [ -0.0001959700000000, 0.0002262400000000, -0.0003766500000000 ] - [ -0.0004199900000000, 0.0001754000000000, -0.0006549700000000 ] - [ -0.0004417200000000, 0.0003488800000000, -0.0001125400000000 ] - [ 0.0065512900000000, 0.0013093300000000, -0.0006988800000000 ] - [ 0.0008858200000000, -0.0003850900000000, -0.0001652400000000 ] - [ -0.0003648900000000, -0.0002405500000000, 0.0003450900000000 ] - [ 0.0001889600000000, -0.0003353300000000, 0.0001731800000000 ] - [ -0.0004790900000000, -0.0004836600000000, -0.0004278900000000 ] - [ -0.0046876400000000, 0.0056474300000000, -0.0026523000000000 ] - [ -0.0001627100000000, 0.0000747000000000, -0.0003743400000000 ] - [ -0.0000009300000000, -0.0001371400000000, -0.0004867200000000 ] - [ -0.0000959400000000, 0.0004934000000000, 0.0002158300000000 ] - [ -0.0043143700000000, -0.0056533300000000, -0.0020089800000000 ] - [ 0.0002174800000000, -0.0000712400000000, 0.0002688400000000 ] - [ 0.0003746400000000, 0.0001406900000000, 0.0001552800000000 ] - [ 0.0028377200000000, -0.0019367500000000, 0.0015453000000000 ] - [ 0.0009665500000000, -0.0005891700000000, 0.0005688700000000 ] - [ -0.0002949500000000, 0.0002635100000000, 0.0004074900000000 ] - [ -0.0001844800000000, 0.0003709000000000, 0.0002835100000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, -0.0476378900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0025364200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0017425800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0012937400000000, 0.0000000000000000 ] - [ 0.0016260000000000, -0.0036872900000000, 0.0012488100000000 ] - [ -0.0003150200000000, 0.0016760000000000, -0.0002817400000000 ] - [ -0.0016260000000000, -0.0036872900000000, -0.0012488100000000 ] - [ 0.0003150200000000, 0.0016760000000000, 0.0002817400000000 ] - [ 0.0000000000000000, 0.0011813600000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0011775800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006833300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0006757500000000, 0.0000000000000000 ] - [ -0.0006933100000000, 0.0018486400000000, 0.0010025500000000 ] - [ 0.0016257700000000, 0.0004519100000000, -0.0024467000000000 ] - [ 0.0006933100000000, 0.0018486400000000, -0.0010025500000000 ] - [ -0.0016257700000000, 0.0004519100000000, 0.0024467000000000 ] - [ -0.0091393500000000, 0.0076686400000000, -0.0009182000000000 ] - [ 0.0006251700000000, 0.0020801600000000, 0.0000825100000000 ] - [ 0.0007583000000000, -0.0012041900000000, -0.0004585800000000 ] - [ -0.0003971600000000, 0.0009112800000000, 0.0005143700000000 ] - [ -0.0005346700000000, 0.0011363400000000, 0.0003563300000000 ] - [ -0.0005070300000000, -0.0014679800000000, -0.0014525700000000 ] - [ -0.0007617500000000, 0.0018792800000000, -0.0002302700000000 ] - [ 0.0031300400000000, -0.0006558200000000, 0.0063448800000000 ] - [ -0.0008665100000000, -0.0010273400000000, 0.0013036000000000 ] - [ 0.0004729300000000, 0.0009468200000000, -0.0003796200000000 ] - [ 0.0026523700000000, 0.0067793400000000, -0.0104313000000000 ] - [ 0.0016317600000000, 0.0023266100000000, 0.0008930000000000 ] - [ 0.0076909200000000, -0.0030338400000000, 0.0052700300000000 ] - [ 0.0002588800000000, 0.0017287100000000, -0.0006016200000000 ] - [ -0.0012110600000000, -0.0011724900000000, 0.0000962400000000 ] - [ 0.0004407600000000, 0.0011024000000000, -0.0003544200000000 ] - [ -0.0076909200000000, -0.0030338400000000, -0.0052700300000000 ] - [ -0.0002588800000000, 0.0017287100000000, 0.0006016200000000 ] - [ 0.0012110600000000, -0.0011724900000000, -0.0000962400000000 ] - [ -0.0004407600000000, 0.0011024000000000, 0.0003544200000000 ] - [ -0.0026523700000000, 0.0067793400000000, 0.0104313000000000 ] - [ -0.0016317600000000, 0.0023266100000000, -0.0008930000000000 ] - [ 0.0008665100000000, -0.0010273400000000, -0.0013036000000000 ] - [ -0.0004729300000000, 0.0009468200000000, 0.0003796200000000 ] - [ 0.0007617500000000, 0.0018792800000000, 0.0002302700000000 ] - [ -0.0031300400000000, -0.0006558200000000, -0.0063448800000000 ] - [ 0.0005346700000000, 0.0011363400000000, -0.0003563300000000 ] - [ 0.0005070300000000, -0.0014679800000000, 0.0014525700000000 ] - [ 0.0091393500000000, 0.0076686400000000, 0.0009182000000000 ] - [ -0.0006251700000000, 0.0020801600000000, -0.0000825100000000 ] - [ -0.0007583000000000, -0.0012041900000000, 0.0004585800000000 ] - [ 0.0003971600000000, 0.0009112800000000, -0.0005143700000000 ] - [ 0.0001662200000000, 0.0005996300000000, 0.0004850900000000 ] - [ -0.0001594900000000, -0.0005658900000000, -0.0004102200000000 ] - [ -0.0019881900000000, 0.0018567400000000, 0.0003405800000000 ] - [ -0.0001502800000000, -0.0008841900000000, -0.0002476700000000 ] - [ 0.0019881900000000, 0.0018567400000000, -0.0003405800000000 ] - [ 0.0001502800000000, -0.0008841900000000, 0.0002476700000000 ] - [ -0.0001662200000000, 0.0005996300000000, -0.0004850900000000 ] - [ 0.0001594900000000, -0.0005658900000000, 0.0004102200000000 ] - [ 0.0031603200000000, 0.0007231300000000, 0.0022038600000000 ] - [ -0.0000311200000000, -0.0006391200000000, -0.0000815800000000 ] - [ 0.0002078600000000, 0.0005311200000000, 0.0003179400000000 ] - [ 0.0002760000000000, -0.0002854400000000, -0.0000342700000000 ] - [ 0.0008218800000000, 0.0011375400000000, -0.0002211500000000 ] - [ 0.0000531100000000, -0.0002436900000000, 0.0005205700000000 ] - [ -0.0000661100000000, 0.0040525300000000, -0.0017817800000000 ] - [ -0.0000680200000000, -0.0005334200000000, 0.0007045300000000 ] - [ 0.0011588600000000, 0.0029137300000000, 0.0008114100000000 ] - [ -0.0004388100000000, -0.0011151500000000, -0.0004799200000000 ] - [ -0.0004130600000000, 0.0013031500000000, -0.0007430000000000 ] - [ -0.0004238100000000, -0.0009230200000000, -0.0003547600000000 ] - [ -0.0031603200000000, 0.0007231300000000, -0.0022038600000000 ] - [ 0.0000311200000000, -0.0006391200000000, 0.0000815800000000 ] - [ -0.0002078600000000, 0.0005311200000000, -0.0003179400000000 ] - [ -0.0002760000000000, -0.0002854400000000, 0.0000342700000000 ] - [ -0.0046299100000000, 0.0056561400000000, -0.0000114300000000 ] - [ -0.0010366000000000, -0.0014067900000000, 0.0003810000000000 ] - [ -0.0000338300000000, 0.0002577500000000, -0.0006759000000000 ] - [ -0.0006595600000000, -0.0008721900000000, 0.0002525400000000 ] - [ 0.0019693600000000, -0.0010254300000000, -0.0018726800000000 ] - [ -0.0004697500000000, -0.0003562900000000, -0.0002009700000000 ] - [ -0.0013744700000000, 0.0005193400000000, 0.0011330200000000 ] - [ 0.0000972600000000, -0.0001320600000000, -0.0007994400000000 ] - [ 0.0008697300000000, -0.0010044800000000, -0.0004279500000000 ] - [ -0.0004371500000000, 0.0001370000000000, 0.0012481000000000 ] - [ 0.0006921700000000, -0.0011226600000000, -0.0001010800000000 ] - [ 0.0006275100000000, -0.0006029000000000, -0.0010353800000000 ] - [ -0.0014193000000000, 0.0011623300000000, 0.0027879100000000 ] - [ -0.0001705200000000, -0.0011534600000000, -0.0002139300000000 ] - [ -0.0005526600000000, 0.0010622800000000, -0.0003977800000000 ] - [ 0.0000360000000000, -0.0007440500000000, -0.0002665600000000 ] - [ 0.0014193000000000, 0.0011623300000000, -0.0027879100000000 ] - [ 0.0001705200000000, -0.0011534600000000, 0.0002139300000000 ] - [ 0.0005526600000000, 0.0010622800000000, 0.0003977800000000 ] - [ -0.0000360000000000, -0.0007440500000000, 0.0002665600000000 ] - [ 0.0004130600000000, 0.0013031500000000, 0.0007430000000000 ] - [ 0.0004238100000000, -0.0009230200000000, 0.0003547600000000 ] - [ -0.0011588600000000, 0.0029137300000000, -0.0008114100000000 ] - [ 0.0004388100000000, -0.0011151500000000, 0.0004799200000000 ] - [ -0.0024011700000000, -0.0016826200000000, -0.0036614100000000 ] - [ 0.0004325500000000, -0.0004187500000000, 0.0004323300000000 ] - [ -0.0002819300000000, 0.0002436900000000, 0.0003627800000000 ] - [ -0.0003235600000000, -0.0005044800000000, -0.0005064700000000 ] - [ 0.0002819300000000, 0.0002436900000000, -0.0003627800000000 ] - [ 0.0003235600000000, -0.0005044800000000, 0.0005064700000000 ] - [ 0.0024011700000000, -0.0016826200000000, 0.0036614100000000 ] - [ -0.0004325500000000, -0.0004187500000000, -0.0004323300000000 ] - [ 0.0000905400000000, -0.0008136500000000, -0.0001384200000000 ] - [ 0.0015435900000000, 0.0055944600000000, 0.0026488100000000 ] - [ 0.0003776700000000, -0.0003051700000000, -0.0000715500000000 ] - [ -0.0001076600000000, 0.0004509400000000, 0.0004223100000000 ] - [ 0.0013744700000000, 0.0005193400000000, -0.0011330200000000 ] - [ -0.0000972600000000, -0.0001320600000000, 0.0007994400000000 ] - [ -0.0019693600000000, -0.0010254300000000, 0.0018726800000000 ] - [ 0.0004697500000000, -0.0003562900000000, 0.0002009700000000 ] - [ 0.0000390500000000, 0.0001216800000000, -0.0005687700000000 ] - [ -0.0004306100000000, -0.0004670900000000, -0.0002459100000000 ] - [ -0.0012665400000000, -0.0027334500000000, 0.0004308800000000 ] - [ -0.0004514900000000, -0.0023728200000000, -0.0016070200000000 ] - [ -0.0000905400000000, -0.0008136500000000, 0.0001384200000000 ] - [ -0.0015435900000000, 0.0055944600000000, -0.0026488100000000 ] - [ -0.0003776700000000, -0.0003051700000000, 0.0000715500000000 ] - [ 0.0001076600000000, 0.0004509400000000, -0.0004223100000000 ] - [ -0.0008697300000000, -0.0010044800000000, 0.0004279500000000 ] - [ 0.0004371500000000, 0.0001370000000000, -0.0012481000000000 ] - [ -0.0006921700000000, -0.0011226600000000, 0.0001010800000000 ] - [ -0.0006275100000000, -0.0006029000000000, 0.0010353800000000 ] - [ 0.0000661100000000, 0.0040525300000000, 0.0017817800000000 ] - [ 0.0000680200000000, -0.0005334200000000, -0.0007045300000000 ] - [ -0.0008218800000000, 0.0011375400000000, 0.0002211500000000 ] - [ -0.0000531100000000, -0.0002436900000000, -0.0005205700000000 ] - [ 0.0046299100000000, 0.0056561400000000, 0.0000114300000000 ] - [ 0.0010366000000000, -0.0014067900000000, -0.0003810000000000 ] - [ 0.0000338300000000, 0.0002577500000000, 0.0006759000000000 ] - [ 0.0006595600000000, -0.0008721900000000, -0.0002525400000000 ] - [ -0.0001187000000000, -0.0010574800000000, -0.0003222700000000 ] - [ 0.0016215300000000, -0.0014796600000000, 0.0012442600000000 ] - [ 0.0001136000000000, -0.0007280300000000, -0.0001855100000000 ] - [ -0.0006464500000000, 0.0004792000000000, -0.0006206700000000 ] - [ 0.0001187000000000, -0.0010574800000000, 0.0003222700000000 ] - [ -0.0016215300000000, -0.0014796600000000, -0.0012442600000000 ] - [ -0.0001136000000000, -0.0007280300000000, 0.0001855100000000 ] - [ 0.0006464500000000, 0.0004792000000000, 0.0006206700000000 ] - [ 0.0012665400000000, -0.0027334500000000, -0.0004308800000000 ] - [ 0.0004514900000000, -0.0023728200000000, 0.0016070200000000 ] - [ -0.0000390500000000, 0.0001216800000000, 0.0005687700000000 ] - [ 0.0004306100000000, -0.0004670900000000, 0.0002459100000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000000000000000, 0.0485147500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0024785700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0018098700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0012356500000000, 0.0000000000000000 ] - [ -0.0016276200000000, 0.0036449400000000, -0.0012493700000000 ] - [ 0.0003113100000000, -0.0017403700000000, 0.0002800200000000 ] - [ 0.0016276200000000, 0.0036449400000000, 0.0012493700000000 ] - [ -0.0003113100000000, -0.0017403700000000, -0.0002800200000000 ] - [ 0.0000000000000000, -0.0011212100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0011253000000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006212200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006289600000000, 0.0000000000000000 ] - [ 0.0006978400000000, -0.0019109900000000, -0.0010060200000000 ] - [ -0.0016272900000000, -0.0005257500000000, 0.0024422800000000 ] - [ -0.0006978400000000, -0.0019109900000000, 0.0010060200000000 ] - [ 0.0016272900000000, -0.0005257500000000, -0.0024422800000000 ] - [ 0.0093880600000000, -0.0077072800000000, 0.0011635000000000 ] - [ -0.0004306900000000, -0.0021008900000000, 0.0001842100000000 ] - [ -0.0005807300000000, 0.0011943200000000, 0.0007320400000000 ] - [ 0.0005788100000000, -0.0009325300000000, -0.0002463200000000 ] - [ 0.0003532800000000, -0.0011195900000000, -0.0006271200000000 ] - [ 0.0003306000000000, 0.0014887700000000, 0.0011880600000000 ] - [ 0.0005842300000000, -0.0018647900000000, -0.0000366300000000 ] - [ -0.0033478600000000, 0.0006536200000000, -0.0066498800000000 ] - [ 0.0010496800000000, 0.0010509200000000, -0.0010377700000000 ] - [ -0.0002920700000000, -0.0009319000000000, 0.0006487700000000 ] - [ -0.0024527100000000, -0.0068018200000000, 0.0107734600000000 ] - [ -0.0014415700000000, -0.0023032500000000, -0.0006149700000000 ] - [ -0.0079025700000000, 0.0029705300000000, -0.0055235600000000 ] - [ -0.0004393100000000, -0.0017508300000000, 0.0003340100000000 ] - [ 0.0010391400000000, 0.0011560800000000, -0.0003652700000000 ] - [ -0.0006234100000000, -0.0011227600000000, 0.0000858900000000 ] - [ 0.0079025700000000, 0.0029705300000000, 0.0055235600000000 ] - [ 0.0004393100000000, -0.0017508300000000, -0.0003340100000000 ] - [ -0.0010391400000000, 0.0011560800000000, 0.0003652700000000 ] - [ 0.0006234100000000, -0.0011227600000000, -0.0000858900000000 ] - [ 0.0024527100000000, -0.0068018200000000, -0.0107734600000000 ] - [ 0.0014415700000000, -0.0023032500000000, 0.0006149700000000 ] - [ -0.0010496800000000, 0.0010509200000000, 0.0010377700000000 ] - [ 0.0002920700000000, -0.0009319000000000, -0.0006487700000000 ] - [ -0.0005842300000000, -0.0018647900000000, 0.0000366300000000 ] - [ 0.0033478600000000, 0.0006536200000000, 0.0066498800000000 ] - [ -0.0003532800000000, -0.0011195900000000, 0.0006271200000000 ] - [ -0.0003306000000000, 0.0014887700000000, -0.0011880600000000 ] - [ -0.0093880600000000, -0.0077072800000000, -0.0011635000000000 ] - [ 0.0004306900000000, -0.0021008900000000, -0.0001842100000000 ] - [ 0.0005807300000000, 0.0011943200000000, -0.0007320400000000 ] - [ -0.0005788100000000, -0.0009325300000000, 0.0002463200000000 ] - [ -0.0006539800000000, -0.0007699300000000, -0.0007789800000000 ] - [ -0.0003255000000000, 0.0003981100000000, 0.0001202500000000 ] - [ 0.0015195400000000, -0.0020216700000000, -0.0005718200000000 ] - [ -0.0003360200000000, 0.0007163400000000, -0.0000450800000000 ] - [ -0.0015195400000000, -0.0020216700000000, 0.0005718200000000 ] - [ 0.0003360200000000, 0.0007163400000000, 0.0000450800000000 ] - [ 0.0006539800000000, -0.0007699300000000, 0.0007789800000000 ] - [ 0.0003255000000000, 0.0003981100000000, -0.0001202500000000 ] - [ -0.0026812400000000, -0.0005579800000000, -0.0019124000000000 ] - [ 0.0005124600000000, 0.0008091000000000, 0.0003723700000000 ] - [ 0.0002762900000000, -0.0003654600000000, -0.0000289600000000 ] - [ 0.0002089800000000, 0.0004554100000000, 0.0003263600000000 ] - [ -0.0000743600000000, -0.0004438400000000, 0.0005006300000000 ] - [ 0.0006984200000000, 0.0009399200000000, -0.0002420000000000 ] - [ 0.0008491100000000, -0.0033486700000000, 0.0020578900000000 ] - [ 0.0008179500000000, 0.0012298800000000, -0.0004257200000000 ] - [ -0.0015514400000000, -0.0029446800000000, -0.0014679700000000 ] - [ 0.0000588700000000, 0.0011028200000000, -0.0001688200000000 ] - [ 0.0000341400000000, -0.0013189200000000, 0.0000950700000000 ] - [ 0.0000425600000000, 0.0009108800000000, -0.0002946900000000 ] - [ 0.0026812400000000, -0.0005579800000000, 0.0019124000000000 ] - [ -0.0005124600000000, 0.0008091000000000, -0.0003723700000000 ] - [ -0.0002762900000000, -0.0003654600000000, 0.0000289600000000 ] - [ -0.0002089800000000, 0.0004554100000000, -0.0003263600000000 ] - [ 0.0040038400000000, -0.0066229200000000, -0.0000377900000000 ] - [ 0.0002842200000000, 0.0007106100000000, -0.0006606500000000 ] - [ -0.0007178900000000, -0.0009558100000000, 0.0003984400000000 ] - [ -0.0000897800000000, 0.0001779500000000, -0.0005325200000000 ] - [ -0.0027151700000000, 0.0017039200000000, 0.0015922900000000 ] - [ -0.0002854400000000, 0.0010558000000000, -0.0000747100000000 ] - [ 0.0006301800000000, 0.0001743400000000, -0.0014200300000000 ] - [ -0.0008487900000000, 0.0008305000000000, 0.0005212200000000 ] - [ -0.0001199300000000, 0.0003094200000000, 0.0007081200000000 ] - [ 0.0011895400000000, -0.0008323700000000, -0.0009724000000000 ] - [ 0.0000583900000000, 0.0004279900000000, 0.0003785800000000 ] - [ 0.0001187900000000, -0.0000759700000000, 0.0013390400000000 ] - [ 0.0011732500000000, -0.0012538100000000, -0.0035076100000000 ] - [ -0.0002133400000000, 0.0011682100000000, -0.0004349400000000 ] - [ 0.0001732200000000, -0.0010545100000000, -0.0002503100000000 ] - [ -0.0004175700000000, 0.0007583700000000, -0.0003826400000000 ] - [ -0.0011732500000000, -0.0012538100000000, 0.0035076100000000 ] - [ 0.0002133400000000, 0.0011682100000000, 0.0004349400000000 ] - [ -0.0001732200000000, -0.0010545100000000, 0.0002503100000000 ] - [ 0.0004175700000000, 0.0007583700000000, 0.0003826400000000 ] - [ -0.0000341400000000, -0.0013189200000000, -0.0000950700000000 ] - [ -0.0000425600000000, 0.0009108800000000, 0.0002946900000000 ] - [ 0.0015514400000000, -0.0029446800000000, 0.0014679700000000 ] - [ -0.0000588700000000, 0.0011028200000000, 0.0001688200000000 ] - [ 0.0019255700000000, 0.0015114900000000, 0.0033605600000000 ] - [ -0.0009126200000000, 0.0002539300000000, -0.0007172000000000 ] - [ -0.0002038500000000, -0.0004149100000000, -0.0006562300000000 ] - [ -0.0001613800000000, 0.0003373400000000, 0.0002160400000000 ] - [ 0.0002038500000000, -0.0004149100000000, 0.0006562300000000 ] - [ 0.0001613800000000, 0.0003373400000000, -0.0002160400000000 ] - [ -0.0019255700000000, 0.0015114900000000, -0.0033605600000000 ] - [ 0.0009126200000000, 0.0002539300000000, 0.0007172000000000 ] - [ 0.0003973600000000, 0.0009850300000000, 0.0004311800000000 ] - [ -0.0012035000000000, -0.0053284700000000, -0.0023104700000000 ] - [ 0.0001070500000000, 0.0004746400000000, 0.0003636600000000 ] - [ 0.0005959700000000, -0.0002820800000000, -0.0001311000000000 ] - [ -0.0006301800000000, 0.0001743400000000, 0.0014200300000000 ] - [ 0.0008487900000000, 0.0008305000000000, -0.0005212200000000 ] - [ 0.0027151700000000, 0.0017039200000000, -0.0015922900000000 ] - [ 0.0002854400000000, 0.0010558000000000, 0.0000747100000000 ] - [ -0.0004211600000000, -0.0001366600000000, -0.0000795000000000 ] - [ 0.0000506000000000, 0.0004576400000000, -0.0004018900000000 ] - [ 0.0008854600000000, 0.0027252900000000, -0.0010875800000000 ] - [ 0.0000706000000000, 0.0023470100000000, 0.0009447200000000 ] - [ -0.0003973600000000, 0.0009850300000000, -0.0004311800000000 ] - [ 0.0012035000000000, -0.0053284700000000, 0.0023104700000000 ] - [ -0.0001070500000000, 0.0004746400000000, -0.0003636600000000 ] - [ -0.0005959700000000, -0.0002820800000000, 0.0001311000000000 ] - [ 0.0001199300000000, 0.0003094200000000, -0.0007081200000000 ] - [ -0.0011895400000000, -0.0008323700000000, 0.0009724000000000 ] - [ -0.0000583900000000, 0.0004279900000000, -0.0003785800000000 ] - [ -0.0001187900000000, -0.0000759700000000, -0.0013390400000000 ] - [ -0.0008491100000000, -0.0033486700000000, -0.0020578900000000 ] - [ -0.0008179500000000, 0.0012298800000000, 0.0004257200000000 ] - [ 0.0000743600000000, -0.0004438400000000, -0.0005006300000000 ] - [ -0.0006984200000000, 0.0009399200000000, 0.0002420000000000 ] - [ -0.0040038400000000, -0.0066229200000000, 0.0000377900000000 ] - [ -0.0002842200000000, 0.0007106100000000, 0.0006606500000000 ] - [ 0.0007178900000000, -0.0009558100000000, -0.0003984400000000 ] - [ 0.0000897800000000, 0.0001779500000000, 0.0005325200000000 ] - [ -0.0002611600000000, 0.0010706100000000, -0.0003248200000000 ] - [ -0.0020102300000000, 0.0015077200000000, -0.0018969600000000 ] - [ -0.0004957600000000, 0.0007420500000000, -0.0004637700000000 ] - [ 0.0002691900000000, -0.0004669100000000, -0.0000255200000000 ] - [ 0.0002611600000000, 0.0010706100000000, 0.0003248200000000 ] - [ 0.0020102300000000, 0.0015077200000000, 0.0018969600000000 ] - [ 0.0004957600000000, 0.0007420500000000, 0.0004637700000000 ] - [ -0.0002691900000000, -0.0004669100000000, 0.0000255200000000 ] - [ -0.0008854600000000, 0.0027252900000000, 0.0010875800000000 ] - [ -0.0000706000000000, 0.0023470100000000, -0.0009447200000000 ] - [ 0.0004211600000000, -0.0001366600000000, 0.0000795000000000 ] - [ -0.0000506000000000, 0.0004576400000000, 0.0004018900000000 ]- atom: 1 displacement: [ -0.0063550541202937, 0.0000000000000000, 0.0077209641320329 ] forces: - [ 0.0391655700000000, 0.0000052100000000, -0.0479207900000000 ] - [ 0.0005323300000000, 0.0000312500000000, -0.0007089800000000 ] - [ -0.0003099800000000, 0.0000300800000000, 0.0006599400000000 ] - [ -0.0001929400000000, 0.0000315800000000, 0.0003386000000000 ] - [ 0.0017500500000000, -0.0001012600000000, -0.0018815600000000 ] - [ 0.0002461500000000, -0.0000482000000000, -0.0001846300000000 ] - [ 0.0017395300000000, 0.0000380100000000, -0.0018928600000000 ] - [ 0.0002463600000000, -0.0000129900000000, -0.0001860100000000 ] - [ -0.0032839700000000, 0.0000286300000000, -0.0008344800000000 ] - [ -0.0020192300000000, 0.0000297000000000, 0.0002062300000000 ] - [ 0.0003402200000000, 0.0000307300000000, 0.0016929300000000 ] - [ 0.0008399900000000, 0.0000336600000000, 0.0021047300000000 ] - [ -0.0001998100000000, 0.0011869800000000, 0.0009406800000000 ] - [ -0.0031605000000000, -0.0029398300000000, 0.0028805800000000 ] - [ -0.0001950700000000, -0.0012477300000000, 0.0009402300000000 ] - [ -0.0031805200000000, 0.0029028200000000, 0.0028901700000000 ] - [ -0.0069739000000000, 0.0097327000000000, -0.0049051000000000 ] - [ 0.0003253700000000, -0.0013092500000000, -0.0006745500000000 ] - [ 0.0000241200000000, 0.0001687800000000, 0.0015430300000000 ] - [ -0.0002515300000000, 0.0004390500000000, 0.0010444500000000 ] - [ -0.0006883500000000, 0.0002989600000000, -0.0000654100000000 ] - [ -0.0023314100000000, 0.0007055100000000, -0.0006661700000000 ] - [ 0.0004234300000000, -0.0004345000000000, 0.0000591000000000 ] - [ 0.0087682400000000, 0.0028987000000000, 0.0112059800000000 ] - [ -0.0013869200000000, -0.0001911500000000, 0.0009548700000000 ] - [ -0.0005000300000000, -0.0004546800000000, 0.0000158900000000 ] - [ 0.0014940900000000, -0.0056863400000000, 0.0057782400000000 ] - [ 0.0013166300000000, 0.0013420900000000, 0.0001581600000000 ] - [ -0.0115702200000000, -0.0009352600000000, -0.0100153400000000 ] - [ -0.0002207300000000, 0.0004855600000000, -0.0008882100000000 ] - [ 0.0009405400000000, -0.0001078500000000, 0.0025565000000000 ] - [ 0.0001427100000000, -0.0000473900000000, 0.0003512100000000 ] - [ -0.0113893700000000, 0.0009147700000000, -0.0098077200000000 ] - [ -0.0000364800000000, -0.0005066000000000, -0.0006199400000000 ] - [ 0.0011287400000000, 0.0000845900000000, 0.0028217700000000 ] - [ 0.0003218600000000, 0.0000314900000000, 0.0006186700000000 ] - [ 0.0012351600000000, 0.0057012200000000, 0.0055571200000000 ] - [ 0.0011353100000000, -0.0013219100000000, -0.0001059000000000 ] - [ -0.0015691000000000, 0.0002081600000000, 0.0006897200000000 ] - [ -0.0006834300000000, 0.0004746800000000, -0.0002552000000000 ] - [ 0.0006052300000000, 0.0004549300000000, 0.0003278000000000 ] - [ 0.0089284100000000, -0.0028651700000000, 0.0114058900000000 ] - [ -0.0005071300000000, -0.0002822700000000, 0.0002034000000000 ] - [ -0.0021591000000000, -0.0006852700000000, -0.0004074900000000 ] - [ -0.0071836100000000, -0.0097804400000000, -0.0051716600000000 ] - [ 0.0001444500000000, 0.0012891500000000, -0.0009455600000000 ] - [ -0.0001610200000000, -0.0001913900000000, 0.0012733200000000 ] - [ -0.0004295600000000, -0.0004526200000000, 0.0007749500000000 ] - [ 0.0007913500000000, -0.0000390700000000, -0.0001334800000000 ] - [ -0.0000131000000000, -0.0001684300000000, -0.0002094700000000 ] - [ -0.0072411300000000, -0.0003793700000000, 0.0062277500000000 ] - [ -0.0005028500000000, 0.0000382900000000, -0.0001805500000000 ] - [ -0.0067154100000000, 0.0003513100000000, 0.0060306300000000 ] - [ -0.0000161100000000, -0.0002081000000000, 0.0001104100000000 ] - [ 0.0012850600000000, -0.0001316400000000, 0.0001608100000000 ] - [ 0.0004726400000000, -0.0000005500000000, 0.0000810200000000 ] - [ 0.0036075600000000, -0.0000713100000000, 0.0035609300000000 ] - [ 0.0005358600000000, 0.0004227800000000, 0.0004972000000000 ] - [ -0.0002762700000000, -0.0001495500000000, -0.0005851800000000 ] - [ 0.0000061900000000, -0.0000611100000000, -0.0002695800000000 ] - [ 0.0003026700000000, 0.0004267200000000, -0.0003625100000000 ] - [ 0.0004397900000000, 0.0003807200000000, -0.0000444000000000 ] - [ -0.0018837700000000, -0.0004051600000000, 0.0053550400000000 ] - [ 0.0000806100000000, 0.0001755600000000, 0.0006064700000000 ] - [ -0.0033254300000000, -0.0026740300000000, -0.0028645600000000 ] - [ -0.0003857500000000, -0.0001495000000000, -0.0004519600000000 ] - [ 0.0008950300000000, 0.0005160600000000, 0.0005152100000000 ] - [ 0.0000837600000000, 0.0002142800000000, -0.0001935700000000 ] - [ 0.0031306900000000, 0.0002393600000000, 0.0032797600000000 ] - [ 0.0000500100000000, -0.0002530600000000, 0.0002073300000000 ] - [ -0.0007612700000000, 0.0003201300000000, -0.0008745400000000 ] - [ -0.0004803900000000, 0.0002282600000000, -0.0005592600000000 ] - [ -0.0023719500000000, -0.0000617600000000, 0.0015407100000000 ] - [ -0.0011207800000000, -0.0007406100000000, 0.0005912300000000 ] - [ 0.0001168000000000, -0.0003013700000000, -0.0006084200000000 ] - [ -0.0001120700000000, -0.0002309500000000, -0.0003447700000000 ] - [ 0.0025363900000000, -0.0022308100000000, -0.0021119400000000 ] - [ -0.0002935200000000, 0.0010387800000000, 0.0002096300000000 ] - [ 0.0000532200000000, 0.0003665100000000, -0.0010783000000000 ] - [ -0.0000532100000000, -0.0001719000000000, -0.0009273800000000 ] - [ 0.0008210800000000, -0.0005657600000000, 0.0000120000000000 ] - [ 0.0019403800000000, -0.0003959400000000, -0.0004446300000000 ] - [ 0.0002359900000000, -0.0002207100000000, -0.0000574400000000 ] - [ 0.0014378600000000, -0.0024886300000000, -0.0042132200000000 ] - [ -0.0041099200000000, -0.0022740100000000, 0.0057592400000000 ] - [ -0.0002748700000000, 0.0003729300000000, -0.0002045800000000 ] - [ -0.0000571100000000, 0.0001646000000000, -0.0008313500000000 ] - [ -0.0000292800000000, -0.0002081000000000, -0.0004330600000000 ] - [ -0.0040060700000000, 0.0020663400000000, 0.0065320000000000 ] - [ 0.0001051200000000, -0.0003580500000000, 0.0004464400000000 ] - [ 0.0003237500000000, -0.0001451400000000, -0.0001777400000000 ] - [ 0.0003503900000000, 0.0002208300000000, 0.0002179600000000 ] - [ 0.0012703400000000, -0.0005300100000000, 0.0011641200000000 ] - [ 0.0004638900000000, -0.0002292100000000, 0.0004574000000000 ] - [ -0.0029556700000000, 0.0026735800000000, -0.0022238700000000 ] - [ -0.0000047000000000, 0.0001319700000000, 0.0002003800000000 ] - [ -0.0015644300000000, -0.0010210000000000, -0.0012448600000000 ] - [ -0.0007295400000000, 0.0001738600000000, -0.0004550000000000 ] - [ 0.0003906000000000, 0.0000309800000000, 0.0000335800000000 ] - [ 0.0000805100000000, -0.0000151000000000, 0.0000402100000000 ] - [ 0.0008775600000000, -0.0002001100000000, 0.0003261200000000 ] - [ 0.0005658100000000, -0.0001535300000000, 0.0003288000000000 ] - [ -0.0010743700000000, 0.0008415200000000, -0.0009200800000000 ] - [ -0.0002421100000000, -0.0003449400000000, -0.0001614800000000 ] - [ 0.0003897900000000, 0.0005616600000000, 0.0005505800000000 ] - [ 0.0009841400000000, 0.0037192700000000, 0.0055288400000000 ] - [ 0.0001015300000000, -0.0000530800000000, -0.0002265200000000 ] - [ -0.0002301200000000, -0.0002054200000000, -0.0010538700000000 ] - [ 0.0008071000000000, 0.0003319400000000, -0.0008022600000000 ] - [ 0.0006963300000000, 0.0008657300000000, -0.0006478400000000 ] - [ 0.0032776100000000, 0.0029118000000000, -0.0018361400000000 ] - [ 0.0004561500000000, -0.0003428900000000, 0.0004913200000000 ] - [ 0.0002337000000000, 0.0001411800000000, -0.0004815900000000 ] - [ 0.0002791800000000, 0.0005635000000000, -0.0003330600000000 ] - [ -0.0006351700000000, 0.0012996100000000, -0.0008904800000000 ] - [ -0.0007064000000000, -0.0017477100000000, -0.0005644300000000 ] - [ -0.0000959400000000, -0.0003917900000000, 0.0002596700000000 ] - [ 0.0007191300000000, -0.0033960200000000, 0.0051666600000000 ] - [ -0.0003858900000000, 0.0002218600000000, -0.0005177100000000 ] - [ -0.0007135300000000, 0.0003747200000000, -0.0013457400000000 ] - [ 0.0000709900000000, -0.0001298700000000, -0.0002673200000000 ] - [ 0.0011906000000000, -0.0003018700000000, -0.0007183300000000 ] - [ -0.0005145200000000, -0.0004775100000000, -0.0003350300000000 ] - [ 0.0006800200000000, 0.0018037400000000, -0.0045074200000000 ] - [ -0.0026643900000000, 0.0011109600000000, 0.0050873500000000 ] - [ -0.0006701400000000, 0.0005208000000000, 0.0003278600000000 ] - [ -0.0004510400000000, 0.0002721500000000, -0.0006362000000000 ] - [ -0.0003099600000000, 0.0003151100000000, -0.0003229500000000 ] - [ -0.0016057500000000, -0.0006805300000000, 0.0017526600000000 ] - [ -0.0003695700000000, 0.0000434800000000, 0.0008679700000000 ] - [ 0.0008681500000000, -0.0003944700000000, -0.0003297500000000 ] - [ 0.0006386200000000, -0.0004668100000000, -0.0000661700000000 ] - [ 0.0000488900000000, 0.0003447500000000, -0.0000557700000000 ] - [ 0.0021693200000000, -0.0023840100000000, 0.0019887300000000 ] - [ -0.0003213900000000, 0.0000907400000000, -0.0005209500000000 ] - [ -0.0009731800000000, 0.0002236600000000, -0.0015470600000000 ] - [ 0.0004295800000000, -0.0003284100000000, 0.0005933800000000 ] - [ 0.0025592600000000, 0.0024134800000000, 0.0026425600000000 ] - [ 0.0000577800000000, -0.0000770700000000, 0.0001293700000000 ] - [ -0.0005887700000000, -0.0002083700000000, -0.0008929800000000 ] - [ -0.0002334300000000, -0.0013307200000000, -0.0002388300000000 ] - [ -0.0003240200000000, 0.0017287600000000, 0.0000828800000000 ] - [ 0.0006134800000000, -0.0001547400000000, 0.0001686400000000 ] - [ 0.0006615300000000, -0.0005812800000000, 0.0003181300000000 ]- atom: 17 displacement: [ 0.0099999999946580, 0.0000000000000000, -0.0000003268642978 ] forces: - [ 0.0073051000000000, -0.0092167400000000, -0.0032064200000000 ] - [ -0.0005587700000000, 0.0005557000000000, -0.0001590800000000 ] - [ 0.0002411100000000, 0.0007033900000000, 0.0001131200000000 ] - [ 0.0002471900000000, -0.0004587200000000, -0.0002349900000000 ] - [ 0.0040231500000000, -0.0004428600000000, 0.0004004500000000 ] - [ 0.0006152900000000, -0.0004784800000000, -0.0002675600000000 ] - [ -0.0040608000000000, 0.0032136600000000, 0.0081119300000000 ] - [ -0.0003116700000000, -0.0007061400000000, 0.0004081700000000 ] - [ 0.0211771500000000, -0.0078411500000000, 0.0024876600000000 ] - [ 0.0000623800000000, -0.0003199600000000, -0.0001116500000000 ] - [ -0.0004992000000000, 0.0011556400000000, 0.0009262300000000 ] - [ -0.0000466900000000, -0.0005027300000000, 0.0002620400000000 ] - [ -0.0064048400000000, -0.0025716800000000, -0.0035064300000000 ] - [ -0.0010212900000000, -0.0015799200000000, 0.0007566800000000 ] - [ 0.0018814600000000, 0.0009228400000000, -0.0003620500000000 ] - [ 0.0006601100000000, -0.0004136900000000, -0.0002232600000000 ] - [ -0.3822347600000000, 0.0484252300000000, -0.0272839600000000 ] - [ -0.0000363600000000, -0.0007623400000000, -0.0001472500000000 ] - [ 0.0022281000000000, -0.0006670500000000, 0.0000243600000000 ] - [ 0.0004474400000000, -0.0003394400000000, 0.0001437000000000 ] - [ 0.0022115000000000, -0.0022313100000000, -0.0024373600000000 ] - [ -0.0002231600000000, 0.0007936600000000, -0.0002943500000000 ] - [ -0.0012741200000000, 0.0011700700000000, 0.0000071700000000 ] - [ -0.0010878800000000, -0.0004835800000000, -0.0014549200000000 ] - [ 0.0038361000000000, 0.0014450000000000, -0.0057443300000000 ] - [ -0.0001208500000000, -0.0005816100000000, 0.0000441400000000 ] - [ 0.0038596500000000, 0.0063012100000000, -0.0075855600000000 ] - [ -0.0001186400000000, -0.0003421200000000, 0.0002694200000000 ] - [ -0.0048125200000000, 0.0009770100000000, -0.0040416900000000 ] - [ -0.0047985300000000, -0.0044606600000000, -0.0013794400000000 ] - [ 0.0007309900000000, -0.0000051500000000, 0.0002117200000000 ] - [ 0.0007273800000000, 0.0007086600000000, -0.0001910400000000 ] - [ 0.0021125000000000, -0.0008053100000000, -0.0001767400000000 ] - [ 0.0021157400000000, -0.0010800700000000, 0.0010667100000000 ] - [ -0.0011295500000000, 0.0007169500000000, 0.0012738100000000 ] - [ -0.0011279600000000, 0.0002045200000000, -0.0002923500000000 ] - [ 0.0120805300000000, -0.0040190300000000, 0.0136318000000000 ] - [ -0.0000245300000000, -0.0004632900000000, -0.0002376300000000 ] - [ 0.0024899500000000, 0.0003108100000000, 0.0021867500000000 ] - [ 0.0001920400000000, -0.0003398200000000, -0.0001001300000000 ] - [ 0.0003806700000000, 0.0018310100000000, 0.0004689800000000 ] - [ 0.0008293400000000, -0.0013754200000000, 0.0020278100000000 ] - [ 0.0003713000000000, -0.0010733600000000, 0.0017578100000000 ] - [ 0.0008185600000000, 0.0014389400000000, 0.0003108600000000 ] - [ 0.0058746300000000, 0.0021812300000000, -0.0005449200000000 ] - [ 0.0000614100000000, -0.0003541600000000, -0.0001437200000000 ] - [ -0.0009165300000000, -0.0005405400000000, 0.0002510900000000 ] - [ -0.0005268600000000, -0.0004845300000000, 0.0000823000000000 ] - [ 0.0000682900000000, -0.0002791900000000, -0.0001539200000000 ] - [ -0.0001024500000000, 0.0005997200000000, 0.0008885400000000 ] - [ 0.0002080800000000, 0.0008467100000000, 0.0011324900000000 ] - [ -0.0000514200000000, -0.0004364400000000, -0.0001141900000000 ] - [ -0.0007915100000000, 0.0013775600000000, -0.0012906700000000 ] - [ 0.0010100200000000, -0.0006312600000000, 0.0000064200000000 ] - [ -0.0002435500000000, -0.0002494600000000, -0.0001538100000000 ] - [ -0.0004552200000000, 0.0002827700000000, -0.0005191400000000 ] - [ 0.1671659000000000, 0.0675620600000000, 0.0915738200000000 ] - [ 0.0004052800000000, 0.0004557700000000, 0.0002980000000000 ] - [ -0.0007195900000000, -0.0000445500000000, -0.0002660500000000 ] - [ 0.0000954100000000, 0.0001611800000000, 0.0001508100000000 ] - [ -0.0000784400000000, 0.0003688100000000, 0.0001017100000000 ] - [ -0.0002637500000000, 0.0002368500000000, 0.0006874600000000 ] - [ 0.0022704800000000, -0.0009376700000000, 0.0016114300000000 ] - [ 0.0021861300000000, 0.0014764500000000, -0.0010999500000000 ] - [ -0.0007212200000000, 0.0004475200000000, -0.0008257100000000 ] - [ -0.0002697500000000, -0.0003334600000000, -0.0004003800000000 ] - [ -0.0006283600000000, -0.0015979200000000, -0.0007110700000000 ] - [ -0.0003193500000000, 0.0005619700000000, -0.0006536300000000 ] - [ -0.0033282700000000, -0.0003172700000000, -0.0003003800000000 ] - [ -0.0003893700000000, 0.0002858000000000, -0.0002056500000000 ] - [ 0.0000660900000000, 0.0005195200000000, -0.0012529700000000 ] - [ -0.0001155500000000, 0.0002135600000000, -0.0002618300000000 ] - [ -0.0031411300000000, -0.0029149400000000, 0.0076183700000000 ] - [ -0.0001118300000000, -0.0001449900000000, -0.0003231900000000 ] - [ -0.0022960900000000, -0.0010348800000000, 0.0017790800000000 ] - [ -0.0003492600000000, -0.0000898400000000, -0.0001758000000000 ] - [ 0.1278472800000000, -0.0352717000000000, -0.1014963400000000 ] - [ -0.0003798800000000, 0.0007115600000000, 0.0000759000000000 ] - [ -0.0016423600000000, 0.0001942400000000, 0.0008256800000000 ] - [ -0.0005474500000000, 0.0005082000000000, -0.0000372700000000 ] - [ -0.0015091800000000, 0.0014724100000000, 0.0024266700000000 ] - [ 0.0007064100000000, -0.0005082000000000, -0.0000121200000000 ] - [ 0.0005878400000000, -0.0008773100000000, -0.0000678400000000 ] - [ 0.0003184600000000, -0.0001147200000000, 0.0005458500000000 ] - [ 0.0625659400000000, -0.0671598000000000, 0.0323031400000000 ] - [ -0.0000360000000000, 0.0004012600000000, -0.0002852300000000 ] - [ -0.0011190400000000, 0.0005606800000000, -0.0007138000000000 ] - [ -0.0003849100000000, 0.0002590600000000, -0.0003935500000000 ] - [ -0.0021320100000000, -0.0016055900000000, -0.0001540500000000 ] - [ 0.0001314100000000, 0.0001313800000000, 0.0003284300000000 ] - [ 0.0008837500000000, 0.0000401700000000, 0.0005171300000000 ] - [ 0.0003870000000000, 0.0004132800000000, 0.0004107900000000 ] - [ -0.0004448400000000, -0.0008359500000000, 0.0007238200000000 ] - [ -0.0009220600000000, 0.0015803100000000, 0.0002306700000000 ] - [ 0.0011523600000000, -0.0003493500000000, 0.0007319500000000 ] - [ 0.0005487100000000, -0.0003774300000000, 0.0003838900000000 ] - [ -0.0047689900000000, -0.0010113900000000, -0.0037468300000000 ] - [ -0.0003090600000000, 0.0001158900000000, -0.0001137300000000 ] - [ -0.0024769600000000, -0.0011244700000000, -0.0023525600000000 ] - [ -0.0002892200000000, 0.0000220100000000, -0.0001221900000000 ] - [ -0.0003011900000000, -0.0003933500000000, 0.0021387600000000 ] - [ 0.0002169000000000, 0.0001004600000000, 0.0001471400000000 ] - [ 0.0033423600000000, -0.0017271900000000, 0.0033710200000000 ] - [ 0.0003382800000000, 0.0000501000000000, 0.0000711800000000 ] - [ -0.0008217600000000, -0.0003607300000000, -0.0003672000000000 ] - [ -0.0009220500000000, 0.0005698500000000, 0.0003925900000000 ] - [ 0.0007648500000000, 0.0003179800000000, 0.0011123800000000 ] - [ 0.0003798000000000, -0.0000784000000000, -0.0003874300000000 ] - [ 0.0022590500000000, 0.0000631900000000, -0.0008235900000000 ] - [ 0.0006701000000000, 0.0006465200000000, -0.0001998300000000 ] - [ -0.0025865900000000, -0.0004305100000000, 0.0009119700000000 ] - [ 0.0002983200000000, 0.0005097900000000, 0.0001373200000000 ] - [ -0.0008860200000000, -0.0001473200000000, 0.0007647000000000 ] - [ -0.0000167200000000, 0.0003005500000000, -0.0002792400000000 ] - [ -0.0017751800000000, -0.0023593400000000, 0.0000404600000000 ] - [ -0.0001269100000000, 0.0003598500000000, -0.0002578000000000 ] - [ 0.0030189500000000, -0.0003707000000000, 0.0000016600000000 ] - [ 0.0020768900000000, 0.0016827400000000, 0.0015297500000000 ] - [ -0.0006162300000000, 0.0000144100000000, -0.0001793100000000 ] - [ -0.0006617400000000, 0.0001698700000000, -0.0003139700000000 ] - [ -0.0006854700000000, 0.0007089700000000, -0.0013752700000000 ] - [ -0.0010087200000000, -0.0007681500000000, 0.0004297400000000 ] - [ 0.0002380300000000, -0.0010972700000000, -0.0001911700000000 ] - [ 0.0002572600000000, 0.0003892300000000, -0.0013402200000000 ] - [ -0.0017259700000000, 0.0008525300000000, 0.0002992600000000 ] - [ -0.0011179800000000, 0.0006095300000000, 0.0001463900000000 ] - [ 0.0000540000000000, -0.0005983500000000, -0.0012124000000000 ] - [ -0.0000494400000000, 0.0004741300000000, -0.0002434700000000 ] - [ -0.0035376700000000, 0.0005937900000000, -0.0008918400000000 ] - [ 0.0001917900000000, -0.0001583200000000, 0.0003426200000000 ] - [ 0.0003641700000000, -0.0009107200000000, -0.0010727000000000 ] - [ 0.0003000200000000, -0.0001571600000000, 0.0001782600000000 ] - [ -0.0020230700000000, 0.0015719300000000, -0.0004517300000000 ] - [ -0.0008836100000000, 0.0007646800000000, -0.0005450300000000 ] - [ 0.0004313500000000, -0.0005770100000000, -0.0002133200000000 ] - [ 0.0002167300000000, -0.0002415100000000, -0.0002997800000000 ] - [ 0.0024873200000000, 0.0061427000000000, 0.0001606200000000 ] - [ 0.0010631900000000, 0.0005096600000000, 0.0008082500000000 ] - [ -0.0002858200000000, -0.0007366300000000, 0.0001126900000000 ] - [ -0.0001758600000000, -0.0000074600000000, 0.0000459400000000 ] - [ -0.0013882000000000, 0.0004292600000000, -0.0068026100000000 ] - [ 0.0001803200000000, 0.0005069200000000, 0.0003040500000000 ] - [ -0.0010947700000000, 0.0009465900000000, -0.0005066100000000 ] - [ 0.0000292800000000, 0.0001613100000000, 0.0002617100000000 ]- atom: 17 displacement: [ -0.0099999999946580, 0.0000000000000000, 0.0000003268642978 ] forces: - [ -0.0072257600000000, 0.0093102600000000, 0.0031702100000000 ] - [ 0.0005675900000000, -0.0005015100000000, 0.0001594800000000 ] - [ -0.0002461100000000, -0.0006357700000000, -0.0001101000000000 ] - [ -0.0002496300000000, 0.0005169400000000, 0.0002370200000000 ] - [ -0.0040275300000000, 0.0003959300000000, -0.0004089300000000 ] - [ -0.0006159600000000, 0.0004100500000000, 0.0002668600000000 ] - [ 0.0040680600000000, -0.0032625100000000, -0.0081147500000000 ] - [ 0.0003115500000000, 0.0006392900000000, -0.0004106900000000 ] - [ -0.0209275100000000, 0.0077518900000000, -0.0024321500000000 ] - [ -0.0000698900000000, 0.0003774200000000, 0.0001134700000000 ] - [ 0.0005051700000000, -0.0010962600000000, -0.0009263000000000 ] - [ 0.0000492300000000, 0.0005610200000000, -0.0002604500000000 ] - [ 0.0064340000000000, 0.0025341800000000, 0.0035274000000000 ] - [ 0.0010169300000000, 0.0014949000000000, -0.0007414700000000 ] - [ -0.0018828400000000, -0.0009928000000000, 0.0003694300000000 ] - [ -0.0006598100000000, 0.0003528400000000, 0.0002229400000000 ] - [ 0.3737332200000000, -0.0513750400000000, 0.0271410000000000 ] - [ 0.0002201600000000, 0.0007360200000000, 0.0004147900000000 ] - [ -0.0020553500000000, 0.0006571000000000, 0.0002506900000000 ] - [ -0.0002678400000000, 0.0003205400000000, 0.0001237900000000 ] - [ -0.0023916900000000, 0.0022426000000000, 0.0021576600000000 ] - [ 0.0000243300000000, -0.0007629100000000, 0.0000249700000000 ] - [ 0.0011035700000000, -0.0011619300000000, -0.0002758700000000 ] - [ 0.0009149300000000, 0.0005056000000000, 0.0011807400000000 ] - [ -0.0037538000000000, -0.0014254900000000, 0.0059911300000000 ] - [ 0.0002980000000000, 0.0005950500000000, 0.0002242700000000 ] - [ -0.0037312000000000, -0.0063375600000000, 0.0079444800000000 ] - [ 0.0003006100000000, 0.0003576300000000, -0.0000031500000000 ] - [ 0.0045826400000000, -0.0010591100000000, 0.0037188300000000 ] - [ 0.0045956200000000, 0.0044655700000000, 0.0010908300000000 ] - [ -0.0009062400000000, -0.0000088000000000, -0.0004773100000000 ] - [ -0.0009098500000000, -0.0007294600000000, -0.0000761900000000 ] - [ -0.0019311200000000, 0.0007957800000000, 0.0004475000000000 ] - [ -0.0019276000000000, 0.0010432500000000, -0.0007963100000000 ] - [ 0.0013114300000000, -0.0007339800000000, -0.0010018500000000 ] - [ 0.0013132700000000, -0.0002246400000000, 0.0005620200000000 ] - [ -0.0122352400000000, 0.0042113400000000, -0.0139913200000000 ] - [ -0.0001499100000000, 0.0004739800000000, -0.0000289400000000 ] - [ -0.0026574500000000, -0.0002779100000000, -0.0024300000000000 ] - [ -0.0003744900000000, 0.0003550100000000, -0.0001706400000000 ] - [ -0.0001998200000000, -0.0018239300000000, -0.0002033600000000 ] - [ -0.0006330700000000, 0.0014022200000000, -0.0017412900000000 ] - [ -0.0002091800000000, 0.0010782500000000, -0.0014813900000000 ] - [ -0.0006435300000000, -0.0014149200000000, -0.0000485100000000 ] - [ -0.0060518600000000, -0.0021929400000000, 0.0002826700000000 ] - [ -0.0002434200000000, 0.0003334200000000, -0.0001231000000000 ] - [ 0.0007379500000000, 0.0005326000000000, -0.0005058700000000 ] - [ 0.0003434100000000, 0.0004639400000000, -0.0003475500000000 ] - [ -0.0005460700000000, 0.0001124100000000, -0.0001382500000000 ] - [ -0.0003806000000000, -0.0007664500000000, -0.0011750000000000 ] - [ -0.0006984100000000, -0.0010202500000000, -0.0014223300000000 ] - [ -0.0004383700000000, 0.0002710700000000, -0.0001766700000000 ] - [ 0.0012588200000000, -0.0015404000000000, 0.0015691100000000 ] - [ -0.0005273700000000, 0.0004668300000000, 0.0002862600000000 ] - [ 0.0007342000000000, 0.0000788600000000, 0.0004470200000000 ] - [ 0.0009440600000000, -0.0004481100000000, 0.0008055200000000 ] - [ -0.1612152000000000, -0.0640499100000000, -0.0854717800000000 ] - [ 0.0000813300000000, -0.0002844500000000, -0.0000069600000000 ] - [ 0.0012086800000000, 0.0002125300000000, 0.0005579500000000 ] - [ 0.0003913200000000, 0.0000084200000000, 0.0001404900000000 ] - [ 0.0008278900000000, 0.0003243400000000, 0.0001777300000000 ] - [ 0.0010160200000000, 0.0004615500000000, -0.0004112000000000 ] - [ -0.0015236900000000, 0.0016456300000000, -0.0013028600000000 ] - [ -0.0014355000000000, -0.0007805400000000, 0.0013858500000000 ] - [ 0.0003335000000000, -0.0004780300000000, 0.0001706600000000 ] - [ -0.0001111500000000, 0.0003204500000000, -0.0002509500000000 ] - [ 0.0002498500000000, 0.0015707300000000, 0.0000569000000000 ] - [ -0.0000545300000000, -0.0005714900000000, 0.0000048300000000 ] - [ 0.0028278800000000, 0.0004812700000000, 0.0000091800000000 ] - [ -0.0000979100000000, -0.0001143900000000, -0.0000862200000000 ] - [ -0.0005557600000000, -0.0003524400000000, 0.0009602600000000 ] - [ -0.0003716200000000, -0.0000435600000000, -0.0000298500000000 ] - [ 0.0024154900000000, 0.0022699100000000, -0.0079486300000000 ] - [ -0.0006392800000000, -0.0005490700000000, 0.0000449800000000 ] - [ 0.0015687100000000, 0.0003344100000000, -0.0020657500000000 ] - [ -0.0003991600000000, -0.0006045000000000, -0.0001040500000000 ] - [ -0.1257755800000000, 0.0338028400000000, 0.0966335200000000 ] - [ -0.0003706500000000, -0.0000097900000000, -0.0003527200000000 ] - [ 0.0009001600000000, 0.0005017900000000, -0.0011146800000000 ] - [ -0.0002047400000000, 0.0001900600000000, -0.0002387200000000 ] - [ 0.0022612800000000, -0.0021560600000000, -0.0021332400000000 ] - [ 0.0000555500000000, -0.0001901500000000, 0.0002829600000000 ] - [ 0.0001596200000000, 0.0001835600000000, 0.0003466400000000 ] - [ 0.0004299400000000, -0.0005826200000000, -0.0002664600000000 ] - [ -0.0627528000000000, 0.0689751000000000, -0.0337830100000000 ] - [ -0.0003455400000000, -0.0003842100000000, -0.0003653600000000 ] - [ 0.0007415400000000, -0.0005501500000000, 0.0000619600000000 ] - [ 0.0000039500000000, -0.0002403200000000, -0.0002591600000000 ] - [ 0.0025115700000000, 0.0016088900000000, 0.0008057100000000 ] - [ 0.0002483500000000, -0.0001122800000000, 0.0003237500000000 ] - [ -0.0005026800000000, -0.0000314000000000, 0.0001256100000000 ] - [ -0.0000063700000000, -0.0003964300000000, 0.0002405000000000 ] - [ 0.0008296000000000, 0.0008044100000000, -0.0000659100000000 ] - [ 0.0013058300000000, -0.0015971100000000, 0.0004223600000000 ] - [ -0.0007745600000000, 0.0003279700000000, -0.0000803900000000 ] - [ -0.0001704600000000, 0.0003645900000000, 0.0002687200000000 ] - [ 0.0042727900000000, 0.0008190300000000, 0.0034644100000000 ] - [ -0.0001800200000000, -0.0002829400000000, -0.0001781500000000 ] - [ 0.0019751400000000, 0.0009475700000000, 0.0020300600000000 ] - [ -0.0001951500000000, -0.0001889500000000, -0.0001663000000000 ] - [ 0.0007973200000000, 0.0002115400000000, -0.0017999400000000 ] - [ 0.0002713700000000, -0.0002680900000000, 0.0001435800000000 ] - [ -0.0028696800000000, 0.0015699700000000, -0.0030976400000000 ] - [ 0.0001485100000000, -0.0002178800000000, 0.0002205900000000 ] - [ 0.0013077600000000, 0.0005345800000000, 0.0006571700000000 ] - [ 0.0014034000000000, -0.0004004800000000, -0.0001008000000000 ] - [ -0.0002785800000000, -0.0001492400000000, -0.0008241400000000 ] - [ 0.0001061800000000, 0.0002463800000000, 0.0006740400000000 ] - [ -0.0015194900000000, 0.0006279600000000, 0.0011022900000000 ] - [ 0.0000813200000000, 0.0000526100000000, 0.0004746700000000 ] - [ 0.0033292400000000, 0.0011242200000000, -0.0006391300000000 ] - [ 0.0004521700000000, 0.0001873300000000, 0.0001413100000000 ] - [ 0.0005273700000000, 0.0001343600000000, -0.0014334500000000 ] - [ -0.0003614100000000, -0.0003127300000000, -0.0003719700000000 ] - [ 0.0013946300000000, 0.0023523800000000, -0.0006996700000000 ] - [ -0.0002539500000000, -0.0003736300000000, -0.0003924100000000 ] - [ -0.0035113700000000, 0.0005198900000000, -0.0002930700000000 ] - [ -0.0025556500000000, -0.0014801800000000, -0.0018066000000000 ] - [ 0.0001301300000000, 0.0001558200000000, -0.0001127400000000 ] - [ 0.0001730700000000, -0.0000018700000000, 0.0000225700000000 ] - [ -0.0000572000000000, -0.0013900600000000, 0.0010798900000000 ] - [ 0.0002609400000000, 0.0000711400000000, -0.0007070800000000 ] - [ -0.0009919900000000, 0.0004057200000000, -0.0000859300000000 ] - [ -0.0010071900000000, -0.0010823700000000, 0.0010546900000000 ] - [ 0.0009737700000000, -0.0001609600000000, -0.0005801900000000 ] - [ 0.0003632600000000, 0.0000946200000000, -0.0004209300000000 ] - [ -0.0008016000000000, 0.0012947500000000, 0.0009331100000000 ] - [ -0.0007009000000000, 0.0002237300000000, -0.0000355400000000 ] - [ 0.0042936100000000, -0.0013171200000000, 0.0011850900000000 ] - [ 0.0005550000000000, -0.0005352700000000, -0.0000621300000000 ] - [ 0.0003900300000000, 0.0002086300000000, 0.0013428800000000 ] - [ 0.0004498300000000, -0.0005384700000000, 0.0001010300000000 ] - [ 0.0016320500000000, -0.0015374100000000, -0.0001968600000000 ] - [ 0.0005041500000000, -0.0007519800000000, -0.0001060200000000 ] - [ -0.0008143600000000, 0.0005943500000000, -0.0004379400000000 ] - [ -0.0005974900000000, 0.0002568700000000, -0.0003512000000000 ] - [ -0.0020632000000000, -0.0061187300000000, 0.0005016000000000 ] - [ -0.0006735800000000, -0.0004731600000000, -0.0001437000000000 ] - [ 0.0006672200000000, 0.0007565800000000, 0.0005411400000000 ] - [ 0.0005532700000000, 0.0000204300000000, 0.0006029100000000 ] - [ 0.0017320700000000, -0.0005323800000000, 0.0074849700000000 ] - [ 0.0001973200000000, -0.0005174000000000, 0.0003462800000000 ] - [ 0.0014777700000000, -0.0009645700000000, 0.0011574500000000 ] - [ 0.0003510600000000, -0.0001752300000000, 0.0003887600000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0110587000000000, 0.0077475800000000, 0.0036007100000000 ] - [ 0.0019349600000000, 0.0021270500000000, -0.0000821400000000 ] - [ 0.0003907800000000, -0.0011719500000000, 0.0005550400000000 ] - [ -0.0002241300000000, 0.0009642800000000, 0.0003941100000000 ] - [ -0.0019935300000000, -0.0015241600000000, -0.0007338000000000 ] - [ -0.0002862400000000, 0.0010938200000000, 0.0001412500000000 ] - [ 0.0014674600000000, -0.0007188600000000, 0.0049291800000000 ] - [ -0.0001145800000000, 0.0018353500000000, -0.0006665200000000 ] - [ -0.0078159500000000, -0.0029290900000000, -0.0052258400000000 ] - [ 0.0005058500000000, 0.0017814000000000, -0.0002329700000000 ] - [ 0.0001997100000000, -0.0011237100000000, 0.0002835400000000 ] - [ -0.0000664500000000, 0.0011500200000000, -0.0000028500000000 ] - [ 0.0025608500000000, 0.0067736900000000, 0.0094427800000000 ] - [ 0.0003643300000000, 0.0022873000000000, -0.0014395400000000 ] - [ -0.0003611500000000, -0.0010706900000000, -0.0000386700000000 ] - [ -0.0002649300000000, 0.0009010400000000, 0.0003859300000000 ] - [ 0.0514393200000000, -0.3776657000000000, -0.0066503400000000 ] - [ -0.0006595300000000, 0.0023244200000000, 0.0002918900000000 ] - [ -0.0005783300000000, -0.0001655600000000, 0.0011972200000000 ] - [ -0.0002389700000000, 0.0007265400000000, 0.0003586000000000 ] - [ -0.0023307800000000, 0.0024833500000000, 0.0015846200000000 ] - [ 0.0006963100000000, -0.0003333200000000, -0.0011484800000000 ] - [ 0.0010711800000000, -0.0005151400000000, -0.0013847200000000 ] - [ -0.0005880000000000, 0.0010871900000000, 0.0017211700000000 ] - [ -0.0062872700000000, -0.0045059100000000, 0.0073444600000000 ] - [ 0.0004428300000000, 0.0012606600000000, 0.0000572800000000 ] - [ -0.0013555400000000, -0.0044609000000000, 0.0012391700000000 ] - [ 0.0006778200000000, 0.0012573400000000, -0.0002678000000000 ] - [ 0.0044079200000000, 0.0088068100000000, 0.0013015500000000 ] - [ -0.0010961700000000, 0.0087375200000000, -0.0042616700000000 ] - [ -0.0008139800000000, -0.0001971300000000, -0.0000349500000000 ] - [ -0.0000936500000000, -0.0001903500000000, 0.0001590600000000 ] - [ -0.0009716300000000, 0.0002889100000000, -0.0003588100000000 ] - [ -0.0007143600000000, 0.0002984200000000, -0.0001596900000000 ] - [ 0.0003083600000000, 0.0000960400000000, 0.0004859600000000 ] - [ 0.0008164800000000, 0.0001057100000000, 0.0008051900000000 ] - [ -0.0041685900000000, -0.0193456300000000, -0.0060263700000000 ] - [ -0.0005628600000000, 0.0013199500000000, 0.0000737700000000 ] - [ 0.0001989100000000, -0.0007592500000000, 0.0001288100000000 ] - [ -0.0004371000000000, 0.0009772200000000, 0.0001223900000000 ] - [ 0.0011653600000000, -0.0000059500000000, 0.0009940200000000 ] - [ -0.0013435900000000, 0.0006153800000000, -0.0020492200000000 ] - [ -0.0017260200000000, 0.0000004700000000, -0.0015626400000000 ] - [ 0.0014851600000000, 0.0006131400000000, 0.0013061800000000 ] - [ -0.0022838000000000, -0.0022059900000000, -0.0004126100000000 ] - [ 0.0002529400000000, 0.0010938800000000, -0.0002415700000000 ] - [ 0.0004518300000000, -0.0016465100000000, 0.0017787000000000 ] - [ 0.0003850100000000, 0.0010178500000000, -0.0004153300000000 ] - [ -0.0005006700000000, 0.0000617400000000, 0.0005439800000000 ] - [ -0.0000506100000000, -0.0009031300000000, -0.0010629200000000 ] - [ -0.0002619700000000, -0.0006374400000000, -0.0015031800000000 ] - [ -0.0005981200000000, -0.0000037200000000, 0.0002261000000000 ] - [ 0.0016732100000000, -0.0013748300000000, 0.0019452200000000 ] - [ -0.0009569900000000, -0.0002235200000000, -0.0003659800000000 ] - [ -0.0003220600000000, 0.0000342100000000, -0.0003903500000000 ] - [ 0.0010770400000000, -0.0003111900000000, 0.0007268700000000 ] - [ 0.0642492600000000, 0.0712965000000000, 0.0460177200000000 ] - [ 0.0003348200000000, -0.0008583300000000, 0.0000279200000000 ] - [ 0.0004830500000000, 0.0002830900000000, 0.0000135200000000 ] - [ 0.0002889100000000, -0.0002208800000000, -0.0000120800000000 ] - [ 0.0006093300000000, 0.0006161000000000, 0.0001323200000000 ] - [ 0.0007232400000000, 0.0002338400000000, -0.0002827000000000 ] - [ -0.0010691100000000, -0.0026144700000000, -0.0013100500000000 ] - [ -0.0015135200000000, -0.0018704300000000, 0.0031540500000000 ] - [ 0.0004817400000000, 0.0006362400000000, 0.0002242200000000 ] - [ -0.0005631600000000, -0.0005944800000000, -0.0006254300000000 ] - [ -0.0010030000000000, -0.0001937500000000, -0.0009779300000000 ] - [ 0.0005966100000000, -0.0003407500000000, 0.0005353800000000 ] - [ 0.0009388200000000, 0.0005996700000000, 0.0001512500000000 ] - [ -0.0002887000000000, -0.0003643600000000, 0.0000014700000000 ] - [ -0.0008718000000000, 0.0008964000000000, -0.0013288400000000 ] - [ -0.0002987700000000, -0.0003017900000000, 0.0000778700000000 ] - [ 0.0003157400000000, 0.0054686900000000, -0.0007775200000000 ] - [ -0.0008834000000000, -0.0011199800000000, 0.0004434000000000 ] - [ 0.0024061900000000, 0.0007615500000000, -0.0029799000000000 ] - [ -0.0006042600000000, -0.0008935100000000, 0.0001136300000000 ] - [ -0.0417828200000000, 0.0616160200000000, 0.0521782100000000 ] - [ 0.0000676100000000, -0.0006564600000000, -0.0006502300000000 ] - [ 0.0000553100000000, 0.0006767000000000, -0.0006433000000000 ] - [ -0.0001144100000000, -0.0000689800000000, -0.0004435900000000 ] - [ 0.0026186300000000, -0.0015326600000000, -0.0016518100000000 ] - [ -0.0005641300000000, -0.0007457000000000, 0.0010239700000000 ] - [ -0.0000202000000000, 0.0000033600000000, 0.0005110600000000 ] - [ 0.0009853600000000, -0.0009121100000000, -0.0007572400000000 ] - [ -0.0554948000000000, 0.2326175600000000, -0.0978859300000000 ] - [ -0.0000072700000000, -0.0016011200000000, -0.0002015700000000 ] - [ -0.0001227900000000, 0.0003396200000000, -0.0006653000000000 ] - [ -0.0000098600000000, -0.0005206900000000, -0.0002856100000000 ] - [ 0.0016239300000000, 0.0018586900000000, 0.0006270200000000 ] - [ -0.0000888500000000, -0.0007646500000000, 0.0002746900000000 ] - [ -0.0002975300000000, 0.0008885400000000, 0.0001132300000000 ] - [ -0.0000108900000000, -0.0007252800000000, 0.0001926300000000 ] - [ -0.0002001400000000, 0.0006433300000000, 0.0006498500000000 ] - [ 0.0012296700000000, -0.0016998100000000, 0.0005351600000000 ] - [ 0.0003383300000000, -0.0001421500000000, -0.0001320700000000 ] - [ -0.0000516200000000, -0.0001311700000000, 0.0005372500000000 ] - [ 0.0003038700000000, 0.0031962000000000, -0.0006360200000000 ] - [ -0.0001199600000000, -0.0005143100000000, -0.0002404900000000 ] - [ -0.0009782400000000, 0.0002948800000000, 0.0000027900000000 ] - [ -0.0002733200000000, -0.0006016700000000, -0.0004108000000000 ] - [ 0.0028760800000000, 0.0008452800000000, -0.0008565400000000 ] - [ 0.0002263900000000, -0.0005853600000000, 0.0003228300000000 ] - [ -0.0003834400000000, 0.0014369900000000, -0.0014071700000000 ] - [ 0.0001939700000000, -0.0005683000000000, 0.0003318300000000 ] - [ 0.0004085000000000, 0.0002304900000000, 0.0004451000000000 ] - [ 0.0017856500000000, -0.0004784600000000, 0.0000880800000000 ] - [ -0.0001764500000000, -0.0003088800000000, -0.0010440000000000 ] - [ -0.0000526700000000, 0.0000098100000000, 0.0001344900000000 ] - [ 0.0000453400000000, 0.0016675600000000, -0.0011511500000000 ] - [ 0.0000514000000000, -0.0002612600000000, 0.0006271000000000 ] - [ 0.0016095700000000, 0.0011914700000000, -0.0001610900000000 ] - [ 0.0000868400000000, -0.0001923100000000, 0.0004210700000000 ] - [ 0.0010945500000000, 0.0007726900000000, -0.0023539400000000 ] - [ -0.0004400000000000, -0.0007732000000000, -0.0003656800000000 ] - [ 0.0003643900000000, 0.0026374100000000, 0.0006813900000000 ] - [ -0.0003948900000000, -0.0009339600000000, -0.0004678900000000 ] - [ 0.0005002700000000, -0.0052693300000000, 0.0015873800000000 ] - [ -0.0005768100000000, -0.0018722300000000, 0.0003388200000000 ] - [ -0.0002826600000000, 0.0001610500000000, -0.0003202900000000 ] - [ 0.0000006700000000, 0.0000741900000000, -0.0001802100000000 ] - [ 0.0002703300000000, -0.0004116200000000, 0.0003164700000000 ] - [ -0.0006848700000000, -0.0006151400000000, -0.0002851500000000 ] - [ -0.0009450600000000, -0.0001373700000000, -0.0005727000000000 ] - [ -0.0005895000000000, -0.0009784200000000, 0.0008256600000000 ] - [ 0.0004884000000000, 0.0003696900000000, 0.0001476200000000 ] - [ -0.0003037000000000, 0.0001771500000000, -0.0002017400000000 ] - [ -0.0005238600000000, 0.0001528700000000, -0.0006852100000000 ] - [ -0.0003967200000000, 0.0000577700000000, -0.0002237000000000 ] - [ 0.0025157000000000, 0.0033298200000000, 0.0040088600000000 ] - [ 0.0006825600000000, -0.0010066900000000, -0.0003382000000000 ] - [ 0.0000490000000000, 0.0000154800000000, -0.0000550600000000 ] - [ 0.0006798700000000, -0.0008464900000000, -0.0001632500000000 ] - [ 0.0002844100000000, -0.0000269100000000, -0.0000711600000000 ] - [ 0.0001263600000000, -0.0006792100000000, -0.0000671500000000 ] - [ -0.0004895300000000, 0.0005130700000000, -0.0004475300000000 ] - [ -0.0002437000000000, -0.0002985800000000, -0.0004607800000000 ] - [ 0.0019902900000000, -0.0041623000000000, 0.0023804100000000 ] - [ -0.0009464200000000, -0.0028983600000000, -0.0005291900000000 ] - [ 0.0002754700000000, 0.0003058400000000, 0.0002544600000000 ] - [ 0.0004737100000000, -0.0000580800000000, 0.0004598600000000 ] - [ -0.0044459800000000, 0.0113731500000000, -0.0036749600000000 ] - [ 0.0004331000000000, -0.0010635100000000, 0.0004676800000000 ] - [ -0.0002433600000000, 0.0008575700000000, -0.0001444300000000 ] - [ 0.0003415700000000, -0.0005695300000000, 0.0003430400000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0109296300000000, -0.0076281200000000, -0.0035750900000000 ] - [ -0.0019529900000000, -0.0020546900000000, 0.0000835200000000 ] - [ -0.0003879300000000, 0.0012259800000000, -0.0005521100000000 ] - [ 0.0002246100000000, -0.0008803900000000, -0.0003914200000000 ] - [ 0.0019705400000000, 0.0014324600000000, 0.0007284100000000 ] - [ 0.0002838700000000, -0.0011617400000000, -0.0001413200000000 ] - [ -0.0014588900000000, 0.0005910100000000, -0.0049444900000000 ] - [ 0.0001168100000000, -0.0019081800000000, 0.0006755700000000 ] - [ 0.0077511900000000, 0.0030757200000000, 0.0051910500000000 ] - [ -0.0004925000000000, -0.0016990300000000, 0.0002306500000000 ] - [ -0.0001991400000000, 0.0012050500000000, -0.0002931800000000 ] - [ 0.0000654600000000, -0.0010750000000000, 0.0000019800000000 ] - [ -0.0025195200000000, -0.0068059800000000, -0.0094884600000000 ] - [ -0.0003636000000000, -0.0023436600000000, 0.0014117800000000 ] - [ 0.0003618500000000, 0.0010082100000000, 0.0000390300000000 ] - [ 0.0002641000000000, -0.0009782400000000, -0.0003829300000000 ] - [ -0.0484679000000000, 0.3666148800000000, 0.0140471100000000 ] - [ 0.0008384000000000, -0.0023341100000000, -0.0000208300000000 ] - [ 0.0007453700000000, 0.0001443400000000, -0.0009183500000000 ] - [ 0.0004207100000000, -0.0007415800000000, -0.0000862300000000 ] - [ 0.0021435500000000, -0.0024493500000000, -0.0018603900000000 ] - [ -0.0008606200000000, 0.0003350200000000, 0.0008624900000000 ] - [ -0.0012603800000000, 0.0005453100000000, 0.0011217100000000 ] - [ 0.0004011800000000, -0.0010772600000000, -0.0019750900000000 ] - [ 0.0063504100000000, 0.0044803000000000, -0.0069471300000000 ] - [ -0.0002568300000000, -0.0012351200000000, 0.0002106400000000 ] - [ 0.0015155400000000, 0.0045248900000000, -0.0009371800000000 ] - [ -0.0004988700000000, -0.0012384300000000, 0.0005440300000000 ] - [ -0.0045200100000000, -0.0087475900000000, -0.0015163100000000 ] - [ 0.0009411300000000, -0.0088170400000000, 0.0040224500000000 ] - [ 0.0006241000000000, 0.0001716400000000, -0.0002362300000000 ] - [ -0.0000897100000000, 0.0001784100000000, -0.0004325800000000 ] - [ 0.0011519000000000, -0.0003125400000000, 0.0006320500000000 ] - [ 0.0008864500000000, -0.0003033100000000, 0.0004284200000000 ] - [ -0.0001206700000000, -0.0001253600000000, -0.0002195800000000 ] - [ -0.0006351900000000, -0.0001157000000000, -0.0005279900000000 ] - [ 0.0040619800000000, 0.0194697400000000, 0.0057512700000000 ] - [ 0.0003743500000000, -0.0012960600000000, -0.0003501800000000 ] - [ -0.0003898700000000, 0.0007700000000000, -0.0004107600000000 ] - [ 0.0002578000000000, -0.0009567600000000, -0.0003893600000000 ] - [ -0.0009865900000000, 0.0000268700000000, -0.0007297500000000 ] - [ 0.0015110000000000, -0.0005969800000000, 0.0023033400000000 ] - [ 0.0019288100000000, 0.0000334900000000, 0.0018389000000000 ] - [ -0.0012926400000000, -0.0005993700000000, -0.0010189700000000 ] - [ 0.0020908300000000, 0.0021787800000000, 0.0001455200000000 ] - [ -0.0004346600000000, -0.0011112200000000, -0.0000315100000000 ] - [ -0.0006214400000000, 0.0016266200000000, -0.0020396700000000 ] - [ -0.0005634300000000, -0.0010324600000000, 0.0001409500000000 ] - [ 0.0000134100000000, -0.0002249800000000, -0.0008272400000000 ] - [ -0.0004320100000000, 0.0007288600000000, 0.0007683000000000 ] - [ -0.0002190100000000, 0.0004718800000000, 0.0012017000000000 ] - [ 0.0001172200000000, -0.0001688400000000, -0.0005239500000000 ] - [ -0.0011727000000000, 0.0011987200000000, -0.0016354500000000 ] - [ 0.0014421800000000, 0.0000523900000000, 0.0006667700000000 ] - [ 0.0008002800000000, -0.0001983200000000, 0.0006788700000000 ] - [ -0.0005985200000000, 0.0001393200000000, -0.0004333300000000 ] - [ -0.0626183200000000, -0.0710419200000000, -0.0449123300000000 ] - [ 0.0001473300000000, 0.0010250600000000, 0.0002654700000000 ] - [ 0.0000094400000000, -0.0001109400000000, 0.0002834600000000 ] - [ 0.0001936100000000, 0.0003884800000000, 0.0003051100000000 ] - [ 0.0001416500000000, 0.0000826700000000, 0.0001507500000000 ] - [ 0.0000240000000000, 0.0004553200000000, 0.0005687900000000 ] - [ 0.0018095800000000, 0.0032889600000000, 0.0015643600000000 ] - [ 0.0022692300000000, 0.0025721300000000, -0.0028880400000000 ] - [ -0.0008569900000000, -0.0006340400000000, -0.0008630100000000 ] - [ 0.0001830400000000, 0.0005877100000000, -0.0000162900000000 ] - [ 0.0006139200000000, 0.0001951400000000, 0.0003241200000000 ] - [ -0.0009882900000000, 0.0003276900000000, -0.0011871300000000 ] - [ -0.0014138000000000, -0.0004276600000000, -0.0004455200000000 ] - [ -0.0001960400000000, 0.0005317000000000, -0.0002954400000000 ] - [ 0.0003847000000000, -0.0007266400000000, 0.0010361600000000 ] - [ -0.0001844900000000, 0.0004696700000000, -0.0003719600000000 ] - [ -0.0011027800000000, -0.0061546500000000, 0.0005138700000000 ] - [ 0.0001387900000000, 0.0004278700000000, -0.0007308700000000 ] - [ -0.0031064000000000, -0.0014393200000000, 0.0026481800000000 ] - [ -0.0001457700000000, 0.0001978200000000, -0.0003949900000000 ] - [ 0.0422666800000000, -0.0608328500000000, -0.0541415600000000 ] - [ -0.0008163700000000, 0.0013455900000000, 0.0003675800000000 ] - [ -0.0008028000000000, 0.0000153900000000, 0.0003618400000000 ] - [ -0.0006323100000000, 0.0007620900000000, 0.0001581700000000 ] - [ -0.0018825200000000, 0.0008316800000000, 0.0019455500000000 ] - [ 0.0012942600000000, 0.0000516800000000, -0.0007243100000000 ] - [ 0.0007719600000000, -0.0007015700000000, -0.0002311000000000 ] - [ -0.0002362500000000, 0.0002214200000000, 0.0010390400000000 ] - [ 0.0500696100000000, -0.2218570300000000, 0.0909285100000000 ] - [ -0.0003729100000000, 0.0016072900000000, -0.0004399000000000 ] - [ -0.0002570200000000, -0.0003286200000000, 0.0000193900000000 ] - [ -0.0003711800000000, 0.0005228200000000, -0.0003573600000000 ] - [ -0.0012366700000000, -0.0018404400000000, 0.0000136700000000 ] - [ 0.0004725800000000, 0.0007705900000000, 0.0003694400000000 ] - [ 0.0006730600000000, -0.0008763700000000, 0.0005263100000000 ] - [ 0.0003912400000000, 0.0007272200000000, 0.0004510300000000 ] - [ 0.0005744600000000, -0.0006325500000000, -0.0000063400000000 ] - [ -0.0008447400000000, 0.0016848200000000, 0.0001098200000000 ] - [ 0.0000408300000000, 0.0001505500000000, 0.0007711300000000 ] - [ 0.0004357100000000, 0.0001208000000000, 0.0001045100000000 ] - [ -0.0008139300000000, -0.0033938500000000, 0.0003380400000000 ] - [ -0.0003593000000000, 0.0003452400000000, -0.0000507700000000 ] - [ 0.0005049100000000, -0.0004610500000000, -0.0002836000000000 ] - [ -0.0002133200000000, 0.0004305300000000, 0.0001130500000000 ] - [ -0.0023526000000000, -0.0010095700000000, 0.0011396100000000 ] - [ 0.0002559900000000, 0.0004142000000000, -0.0000264100000000 ] - [ 0.0008768000000000, -0.0016119600000000, 0.0017065100000000 ] - [ 0.0002891900000000, 0.0003992700000000, -0.0000400100000000 ] - [ 0.0000793500000000, -0.0000640200000000, -0.0001503500000000 ] - [ -0.0012979800000000, 0.0006475800000000, 0.0002048000000000 ] - [ 0.0006567400000000, 0.0004741400000000, 0.0013358100000000 ] - [ 0.0005347900000000, 0.0001634900000000, 0.0001649900000000 ] - [ 0.0006927300000000, -0.0009770600000000, 0.0014338100000000 ] - [ 0.0006945100000000, 0.0009508500000000, -0.0003384200000000 ] - [ -0.0008521400000000, -0.0004965900000000, 0.0004433700000000 ] - [ 0.0006592700000000, 0.0008838500000000, -0.0001358000000000 ] - [ -0.0014635900000000, -0.0007922300000000, 0.0016685600000000 ] - [ 0.0000559700000000, 0.0007637900000000, -0.0002769500000000 ] - [ -0.0007437700000000, -0.0026612100000000, -0.0013434400000000 ] - [ 0.0000151800000000, 0.0009284000000000, -0.0001766500000000 ] - [ -0.0010006500000000, 0.0054685700000000, -0.0019013300000000 ] - [ 0.0000787500000000, 0.0020059200000000, -0.0006566000000000 ] - [ -0.0001987200000000, 0.0000044900000000, 0.0000272600000000 ] - [ -0.0004813200000000, 0.0000972600000000, -0.0001143000000000 ] - [ -0.0010260400000000, -0.0002915300000000, -0.0005914800000000 ] - [ -0.0000634300000000, -0.0000730600000000, -0.0000051700000000 ] - [ 0.0001940500000000, -0.0005577700000000, 0.0002931000000000 ] - [ -0.0001578500000000, 0.0002856800000000, -0.0011052300000000 ] - [ -0.0012313700000000, 0.0003268800000000, -0.0004300300000000 ] - [ -0.0004370900000000, 0.0005108200000000, -0.0000864300000000 ] - [ -0.0002266700000000, 0.0005504300000000, 0.0004056100000000 ] - [ -0.0003491400000000, 0.0006320100000000, -0.0000653900000000 ] - [ -0.0017707400000000, -0.0040189800000000, -0.0037104600000000 ] - [ 0.0000684700000000, 0.0003114300000000, 0.0006217600000000 ] - [ 0.0006975100000000, -0.0007024200000000, 0.0003450400000000 ] - [ 0.0000679200000000, 0.0001507000000000, 0.0004447000000000 ] - [ -0.0006576100000000, 0.0000190100000000, -0.0005710900000000 ] - [ -0.0005097800000000, 0.0006866700000000, -0.0005770500000000 ] - [ 0.0001078100000000, -0.0005123900000000, -0.0001958500000000 ] - [ -0.0001403000000000, 0.0003089000000000, -0.0001839900000000 ] - [ -0.0016177800000000, 0.0041789000000000, -0.0017430600000000 ] - [ 0.0013129900000000, 0.0028811600000000, 0.0011598300000000 ] - [ 0.0001073700000000, -0.0003038000000000, 0.0003894100000000 ] - [ -0.0000888400000000, 0.0000675300000000, 0.0001852000000000 ] - [ 0.0048483500000000, -0.0114764100000000, 0.0043587500000000 ] - [ -0.0000472900000000, 0.0010522000000000, 0.0001785300000000 ] - [ 0.0006339300000000, -0.0008707800000000, 0.0007935500000000 ] - [ 0.0000395800000000, 0.0005647400000000, 0.0002990200000000 ]- atom: 17 displacement: [ -0.0063550541202937, 0.0000000000000000, 0.0077209641320329 ] forces: - [ -0.0037573500000000, 0.0051195900000000, -0.0023699400000000 ] - [ 0.0002023600000000, -0.0003467600000000, -0.0008424500000000 ] - [ -0.0000414100000000, -0.0008459200000000, 0.0014257500000000 ] - [ -0.0002798000000000, 0.0006312600000000, 0.0009584600000000 ] - [ -0.0018595400000000, -0.0007794400000000, -0.0002305100000000 ] - [ -0.0004991100000000, 0.0006285100000000, 0.0001492000000000 ] - [ 0.0042688300000000, 0.0029362000000000, 0.0074696600000000 ] - [ 0.0002680400000000, 0.0003191000000000, -0.0000134200000000 ] - [ -0.0111648800000000, 0.0008194500000000, -0.0096034100000000 ] - [ 0.0001547400000000, 0.0006103600000000, -0.0005156600000000 ] - [ 0.0007489100000000, -0.0008653000000000, 0.0024717900000000 ] - [ 0.0000377800000000, 0.0005375200000000, 0.0003258400000000 ] - [ 0.0050430200000000, 0.0097405600000000, 0.0086952700000000 ] - [ 0.0005513600000000, 0.0003570300000000, -0.0005180400000000 ] - [ -0.0017846100000000, -0.0015506600000000, 0.0005817400000000 ] - [ -0.0003088200000000, 0.0006104000000000, 0.0001146100000000 ] - [ 0.2147912900000000, -0.0364245400000000, -0.2667704500000000 ] - [ -0.0000437300000000, 0.0005843800000000, -0.0001617400000000 ] - [ -0.0013605600000000, 0.0012377900000000, 0.0024860200000000 ] - [ -0.0001303300000000, 0.0003723300000000, 0.0005128500000000 ] - [ -0.0033191700000000, 0.0027509300000000, 0.0022688300000000 ] - [ -0.0001377500000000, -0.0012535200000000, -0.0005717900000000 ] - [ 0.0007802600000000, -0.0017103500000000, 0.0006473300000000 ] - [ -0.0004676800000000, 0.0017571400000000, 0.0009454200000000 ] - [ -0.0082970000000000, -0.0017355000000000, 0.0093246700000000 ] - [ 0.0003275000000000, 0.0006940200000000, 0.0001785000000000 ] - [ -0.0069114400000000, -0.0096003800000000, 0.0106607000000000 ] - [ 0.0001541200000000, 0.0002892500000000, 0.0000317500000000 ] - [ 0.0019304600000000, 0.0025052800000000, -0.0019490900000000 ] - [ -0.0000965300000000, 0.0017462000000000, -0.0036108300000000 ] - [ -0.0006508600000000, -0.0002347900000000, 0.0005845500000000 ] - [ -0.0003436700000000, -0.0005454300000000, 0.0008403900000000 ] - [ -0.0004757700000000, 0.0002738900000000, -0.0005164400000000 ] - [ -0.0014353400000000, 0.0002817500000000, -0.0013104900000000 ] - [ 0.0005362300000000, 0.0000463600000000, 0.0011380700000000 ] - [ 0.0017449000000000, 0.0001228500000000, 0.0021306000000000 ] - [ 0.0029045500000000, -0.0019173700000000, -0.0022962800000000 ] - [ -0.0002083300000000, 0.0004679300000000, -0.0002108300000000 ] - [ 0.0000444400000000, 0.0000294000000000, 0.0006996500000000 ] - [ -0.0002438300000000, 0.0004255200000000, 0.0000806400000000 ] - [ 0.0011579200000000, 0.0001635100000000, 0.0003835500000000 ] - [ -0.0002302800000000, -0.0000063200000000, -0.0004746300000000 ] - [ 0.0001607000000000, 0.0000270300000000, -0.0004397400000000 ] - [ 0.0010705500000000, 0.0007773900000000, 0.0005914100000000 ] - [ -0.0042088800000000, -0.0011852400000000, -0.0023502200000000 ] - [ -0.0001962400000000, 0.0002894600000000, -0.0005322900000000 ] - [ 0.0007230400000000, -0.0011432300000000, 0.0044378900000000 ] - [ 0.0003510000000000, 0.0005059100000000, 0.0001038800000000 ] - [ -0.0000551900000000, 0.0005654800000000, -0.0001222300000000 ] - [ 0.0002362800000000, -0.0010683900000000, -0.0012119300000000 ] - [ -0.0001134800000000, -0.0011065800000000, -0.0005635300000000 ] - [ -0.0004470600000000, 0.0004626500000000, -0.0003067800000000 ] - [ 0.0006727400000000, -0.0003887700000000, 0.0008881900000000 ] - [ -0.0010196200000000, -0.0003731200000000, 0.0003548300000000 ] - [ -0.0001624000000000, -0.0000645800000000, -0.0003789900000000 ] - [ 0.0006520000000000, -0.0000509000000000, 0.0002975900000000 ] - [ -0.0274386500000000, -0.0003224100000000, 0.0345092600000000 ] - [ 0.0002868900000000, -0.0001081800000000, 0.0002779600000000 ] - [ 0.0002427400000000, -0.0001450100000000, -0.0007314400000000 ] - [ 0.0002392200000000, -0.0000844600000000, -0.0000772300000000 ] - [ 0.0008457800000000, 0.0006024600000000, -0.0003158400000000 ] - [ 0.0009915500000000, 0.0004058700000000, -0.0006316900000000 ] - [ -0.0006725200000000, -0.0014137300000000, 0.0009768900000000 ] - [ -0.0003197000000000, 0.0000605300000000, 0.0012621300000000 ] - [ 0.0000335000000000, 0.0002797100000000, -0.0002187900000000 ] - [ -0.0004814700000000, -0.0004379200000000, -0.0005425600000000 ] - [ -0.0009133800000000, -0.0009841800000000, -0.0006848100000000 ] - [ -0.0001920400000000, -0.0000826600000000, -0.0001887700000000 ] - [ 0.0018070500000000, 0.0000790600000000, 0.0010264900000000 ] - [ -0.0000650600000000, -0.0001579700000000, 0.0001372800000000 ] - [ -0.0018345200000000, 0.0009492700000000, -0.0024183200000000 ] - [ -0.0004596600000000, -0.0000042900000000, -0.0003030500000000 ] - [ 0.0071278400000000, 0.0032408800000000, -0.0084814400000000 ] - [ -0.0005327600000000, -0.0004883400000000, 0.0000622100000000 ] - [ 0.0027047300000000, 0.0004421300000000, -0.0033487700000000 ] - [ -0.0004048000000000, -0.0006457100000000, -0.0001629400000000 ] - [ -0.1569234600000000, 0.0549873900000000, 0.1778770400000000 ] - [ -0.0003992500000000, 0.0001045000000000, -0.0000662900000000 ] - [ 0.0014074200000000, 0.0003651100000000, -0.0023796300000000 ] - [ -0.0001514400000000, 0.0001204700000000, -0.0004344600000000 ] - [ 0.0034543200000000, -0.0027819000000000, -0.0017106600000000 ] - [ -0.0001479900000000, -0.0000189900000000, 0.0008862500000000 ] - [ 0.0003266500000000, 0.0002195100000000, -0.0002306600000000 ] - [ 0.0009659100000000, -0.0009008000000000, -0.0006819500000000 ] - [ -0.0203472400000000, -0.0294579900000000, 0.0435998900000000 ] - [ -0.0002004000000000, -0.0003790500000000, -0.0001350200000000 ] - [ 0.0002839900000000, -0.0003949900000000, -0.0006916700000000 ] - [ -0.0000527400000000, -0.0002314900000000, -0.0004008800000000 ] - [ 0.0022263600000000, 0.0009469400000000, 0.0017096800000000 ] - [ 0.0002332200000000, -0.0000834400000000, 0.0004335700000000 ] - [ -0.0003511200000000, 0.0002024900000000, -0.0011857300000000 ] - [ 0.0000048400000000, -0.0004985000000000, 0.0001048800000000 ] - [ 0.0006142900000000, 0.0009574000000000, 0.0003324200000000 ] - [ 0.0018770600000000, -0.0023563300000000, 0.0005864100000000 ] - [ 0.0001682300000000, -0.0011879100000000, -0.0001802900000000 ] - [ -0.0001754600000000, 0.0005605600000000, -0.0000126100000000 ] - [ 0.0001150600000000, 0.0000480100000000, -0.0000483200000000 ] - [ -0.0001344600000000, -0.0002612400000000, -0.0001683800000000 ] - [ -0.0011660200000000, 0.0003392800000000, -0.0002127200000000 ] - [ -0.0003168600000000, -0.0002842900000000, -0.0002452000000000 ] - [ 0.0023049700000000, 0.0000267100000000, -0.0010895000000000 ] - [ 0.0002277500000000, -0.0003234900000000, 0.0002244900000000 ] - [ -0.0022207800000000, 0.0020225600000000, -0.0044305200000000 ] - [ 0.0002256700000000, -0.0002249800000000, 0.0001609800000000 ] - [ 0.0012777800000000, 0.0006150800000000, 0.0010485900000000 ] - [ 0.0005189900000000, 0.0000409200000000, 0.0003928300000000 ] - [ -0.0007102000000000, -0.0006546000000000, -0.0021174600000000 ] - [ -0.0001933700000000, 0.0000072700000000, -0.0002902300000000 ] - [ -0.0001271200000000, 0.0012145800000000, -0.0026613600000000 ] - [ 0.0001908500000000, 0.0001264400000000, 0.0002389800000000 ] - [ 0.0021670900000000, 0.0008233000000000, 0.0004379900000000 ] - [ 0.0002923600000000, 0.0001321600000000, 0.0003570700000000 ] - [ 0.0012065300000000, 0.0002943700000000, -0.0016576500000000 ] - [ -0.0003285000000000, -0.0002702700000000, -0.0004018600000000 ] - [ 0.0027233500000000, 0.0041557700000000, 0.0001613500000000 ] - [ -0.0001914300000000, -0.0003408900000000, -0.0003218800000000 ] - [ -0.0011692100000000, -0.0015973100000000, 0.0030098100000000 ] - [ -0.0002515200000000, -0.0008291400000000, 0.0003364400000000 ] - [ -0.0002995700000000, 0.0003439000000000, -0.0007297500000000 ] - [ -0.0001553200000000, 0.0001415500000000, -0.0004488100000000 ] - [ -0.0002895700000000, -0.0007599300000000, 0.0006439300000000 ] - [ -0.0007640700000000, -0.0006880700000000, 0.0001651300000000 ] - [ -0.0014559900000000, -0.0002315700000000, -0.0005806600000000 ] - [ -0.0004629900000000, -0.0004931400000000, 0.0000305300000000 ] - [ -0.0000325300000000, 0.0003563400000000, 0.0001143800000000 ] - [ -0.0001864600000000, 0.0003544900000000, 0.0002009400000000 ] - [ -0.0004047300000000, 0.0000761700000000, -0.0008982400000000 ] - [ -0.0004259900000000, 0.0000500000000000, -0.0007921500000000 ] - [ -0.0001898500000000, 0.0001673600000000, 0.0022759600000000 ] - [ 0.0004775800000000, -0.0005174700000000, 0.0001465300000000 ] - [ 0.0003739600000000, -0.0003028900000000, -0.0006063700000000 ] - [ 0.0005135600000000, -0.0005903000000000, -0.0001330800000000 ] - [ 0.0007229300000000, -0.0005223600000000, 0.0002580300000000 ] - [ 0.0000406300000000, -0.0002380500000000, -0.0000521500000000 ] - [ -0.0009127800000000, 0.0008118000000000, -0.0011046800000000 ] - [ -0.0003711800000000, -0.0001039600000000, -0.0006241500000000 ] - [ -0.0010579000000000, 0.0001322500000000, 0.0026790500000000 ] - [ -0.0005455200000000, -0.0012446000000000, 0.0002603700000000 ] - [ 0.0003211000000000, 0.0003281800000000, 0.0000708400000000 ] - [ 0.0003908700000000, 0.0000767700000000, 0.0002620600000000 ] - [ -0.0034682400000000, 0.0012818900000000, 0.0039478800000000 ] - [ 0.0002478500000000, -0.0003322300000000, 0.0004263500000000 ] - [ 0.0001849000000000, 0.0002889600000000, -0.0000013400000000 ] - [ 0.0002680200000000, -0.0002926900000000, 0.0002911400000000 ]- atom: 17 displacement: [ 0.0063550541202937, 0.0000000000000000, -0.0077209641320329 ] forces: - [ 0.0038171500000000, -0.0050399000000000, 0.0022885100000000 ] - [ -0.0001972200000000, 0.0004105300000000, 0.0008365800000000 ] - [ 0.0000359000000000, 0.0009312300000000, -0.0014399200000000 ] - [ 0.0002794300000000, -0.0005697900000000, -0.0009610200000000 ] - [ 0.0018968900000000, 0.0007203100000000, 0.0002378600000000 ] - [ 0.0005015300000000, -0.0007021300000000, -0.0001481300000000 ] - [ -0.0041917900000000, -0.0029878900000000, -0.0075402600000000 ] - [ -0.0002658800000000, -0.0003931300000000, 0.0000080400000000 ] - [ 0.0111951100000000, -0.0007485800000000, 0.0097268500000000 ] - [ -0.0001605300000000, -0.0005487800000000, 0.0005205500000000 ] - [ -0.0007491100000000, 0.0009291600000000, -0.0024365000000000 ] - [ -0.0000354400000000, -0.0004712700000000, -0.0003225400000000 ] - [ -0.0050813600000000, -0.0098828900000000, -0.0087273100000000 ] - [ -0.0005596400000000, -0.0004390200000000, 0.0005332900000000 ] - [ 0.0017631100000000, 0.0014674900000000, -0.0005771700000000 ] - [ 0.0003019900000000, -0.0006780000000000, -0.0001181100000000 ] - [ -0.2237459700000000, 0.0432022500000000, 0.2781789700000000 ] - [ 0.0002279600000000, -0.0006100700000000, 0.0004323200000000 ] - [ 0.0015368100000000, -0.0012378300000000, -0.0022110100000000 ] - [ 0.0003107000000000, -0.0003912000000000, -0.0002435100000000 ] - [ 0.0031541900000000, -0.0027517600000000, -0.0025456800000000 ] - [ -0.0000500400000000, 0.0012880700000000, 0.0003153500000000 ] - [ -0.0009507700000000, 0.0017080300000000, -0.0009170400000000 ] - [ 0.0002929500000000, -0.0017250900000000, -0.0012194300000000 ] - [ 0.0085172600000000, 0.0017690100000000, -0.0091257800000000 ] - [ -0.0001486800000000, -0.0006808200000000, 0.0000935500000000 ] - [ 0.0069740500000000, 0.0094670000000000, -0.0102027300000000 ] - [ 0.0000276800000000, -0.0002740700000000, 0.0002347900000000 ] - [ -0.0021336300000000, -0.0025969500000000, 0.0016481500000000 ] - [ -0.0000756500000000, -0.0017513200000000, 0.0033485200000000 ] - [ 0.0004772300000000, 0.0002243100000000, -0.0008519400000000 ] - [ 0.0001640400000000, 0.0005229400000000, -0.0011066300000000 ] - [ 0.0006566500000000, -0.0002896700000000, 0.0007877700000000 ] - [ 0.0016169400000000, -0.0003027200000000, 0.0015744700000000 ] - [ -0.0003551200000000, -0.0000613100000000, -0.0008669400000000 ] - [ -0.0015626300000000, -0.0001488000000000, -0.0018634500000000 ] - [ -0.0029716700000000, 0.0019472100000000, 0.0021195600000000 ] - [ 0.0000317000000000, -0.0004552000000000, -0.0000571000000000 ] - [ -0.0002502700000000, -0.0000129900000000, -0.0009988400000000 ] - [ 0.0000612900000000, -0.0004109900000000, -0.0003555600000000 ] - [ -0.0009730900000000, -0.0001395500000000, -0.0001042400000000 ] - [ 0.0004228400000000, 0.0000235500000000, 0.0007655300000000 ] - [ 0.0000112200000000, -0.0000090100000000, 0.0007043800000000 ] - [ -0.0009095300000000, -0.0007683700000000, -0.0003340500000000 ] - [ 0.0040088300000000, 0.0011635500000000, 0.0020524700000000 ] - [ 0.0000134600000000, -0.0003108100000000, 0.0002624000000000 ] - [ -0.0009142600000000, 0.0011229200000000, -0.0047279300000000 ] - [ -0.0005346600000000, -0.0005273200000000, -0.0003716300000000 ] - [ -0.0004303400000000, -0.0007430300000000, -0.0001759000000000 ] - [ -0.0007239700000000, 0.0009047000000000, 0.0009184000000000 ] - [ -0.0003725600000000, 0.0009261300000000, 0.0002738900000000 ] - [ -0.0000394100000000, -0.0006241800000000, 0.0000148200000000 ] - [ -0.0002039300000000, 0.0002317000000000, -0.0006089600000000 ] - [ 0.0015050500000000, 0.0002035000000000, -0.0000652200000000 ] - [ 0.0006604500000000, -0.0001066400000000, 0.0006844100000000 ] - [ -0.0001615000000000, -0.0001175100000000, -0.0000028500000000 ] - [ 0.0277651000000000, 0.0001906400000000, -0.0348759100000000 ] - [ 0.0001973900000000, 0.0002795000000000, 0.0000145800000000 ] - [ 0.0002341600000000, 0.0003095300000000, 0.0010167000000000 ] - [ 0.0002452700000000, 0.0002538600000000, 0.0003694600000000 ] - [ -0.0001010500000000, 0.0000872600000000, 0.0005982100000000 ] - [ -0.0002424600000000, 0.0002912900000000, 0.0009110400000000 ] - [ 0.0014076200000000, 0.0021231900000000, -0.0006696400000000 ] - [ 0.0010604700000000, 0.0006310000000000, -0.0009744900000000 ] - [ -0.0004229600000000, -0.0002969700000000, -0.0004355200000000 ] - [ 0.0000991400000000, 0.0004264900000000, -0.0001075200000000 ] - [ 0.0005400500000000, 0.0009852000000000, 0.0000477600000000 ] - [ -0.0001858400000000, 0.0000729300000000, -0.0004560800000000 ] - [ -0.0022868700000000, 0.0000872300000000, -0.0013143500000000 ] - [ -0.0004201700000000, 0.0003289500000000, -0.0004312400000000 ] - [ 0.0013504100000000, -0.0007844700000000, 0.0021309600000000 ] - [ -0.0000259500000000, 0.0001746100000000, 0.0000094800000000 ] - [ -0.0078526100000000, -0.0037793700000000, 0.0081834800000000 ] - [ -0.0002175300000000, -0.0002042300000000, -0.0003421300000000 ] - [ -0.0034643800000000, -0.0011417700000000, 0.0030795800000000 ] - [ -0.0003426500000000, -0.0000461400000000, -0.0001204800000000 ] - [ 0.1652164500000000, -0.0603867100000000, -0.1888449600000000 ] - [ -0.0003496000000000, 0.0005945700000000, -0.0002152800000000 ] - [ -0.0021350100000000, 0.0003297100000000, 0.0020722000000000 ] - [ -0.0005987100000000, 0.0005758000000000, 0.0001550100000000 ] - [ -0.0027235500000000, 0.0021085900000000, 0.0020012300000000 ] - [ 0.0009085200000000, -0.0006790300000000, -0.0006184900000000 ] - [ 0.0004193700000000, -0.0009073600000000, 0.0005117000000000 ] - [ -0.0002163600000000, 0.0002023000000000, 0.0009613400000000 ] - [ 0.0201879300000000, 0.0290848000000000, -0.0441429400000000 ] - [ -0.0001821400000000, 0.0003923200000000, -0.0005128200000000 ] - [ -0.0006609900000000, 0.0003973100000000, 0.0000490800000000 ] - [ -0.0003287000000000, 0.0002450700000000, -0.0002470900000000 ] - [ -0.0018303900000000, -0.0009378400000000, -0.0010443000000000 ] - [ 0.0001488500000000, 0.0000982900000000, 0.0002155200000000 ] - [ 0.0007393000000000, -0.0001934700000000, 0.0018453900000000 ] - [ 0.0003771100000000, 0.0005123200000000, 0.0005428100000000 ] - [ -0.0002342300000000, -0.0009809800000000, 0.0003120800000000 ] - [ -0.0014941900000000, 0.0023457100000000, 0.0000589200000000 ] - [ 0.0002080700000000, 0.0011631700000000, 0.0008267100000000 ] - [ 0.0005536000000000, -0.0005639500000000, 0.0006596100000000 ] - [ -0.0006489100000000, -0.0002286900000000, -0.0002797000000000 ] - [ -0.0003528000000000, 0.0000936100000000, -0.0001259300000000 ] - [ 0.0007056700000000, -0.0005057800000000, -0.0000567100000000 ] - [ -0.0001659300000000, 0.0001183300000000, -0.0000443600000000 ] - [ -0.0018490800000000, -0.0001956400000000, 0.0014003100000000 ] - [ 0.0002574700000000, 0.0001562100000000, 0.0000666600000000 ] - [ 0.0026685300000000, -0.0021666200000000, 0.0046811600000000 ] - [ 0.0002594200000000, 0.0000569000000000, 0.0001330300000000 ] - [ -0.0007893600000000, -0.0004414700000000, -0.0007505400000000 ] - [ -0.0000359500000000, 0.0001290600000000, -0.0000984900000000 ] - [ 0.0011979200000000, 0.0008286300000000, 0.0024157600000000 ] - [ 0.0006798300000000, 0.0001596300000000, 0.0005807300000000 ] - [ 0.0008894000000000, -0.0005213900000000, 0.0029478600000000 ] - [ 0.0005598100000000, 0.0005705400000000, 0.0000385500000000 ] - [ -0.0014106400000000, -0.0001297500000000, -0.0001551800000000 ] - [ 0.0004576600000000, 0.0005633500000000, -0.0000757400000000 ] - [ -0.0015971800000000, -0.0003019800000000, 0.0010199600000000 ] - [ -0.0000511000000000, 0.0002614900000000, -0.0002462000000000 ] - [ -0.0030838500000000, -0.0041229600000000, -0.0008017500000000 ] - [ -0.0001898600000000, 0.0003311200000000, -0.0003241300000000 ] - [ 0.0006849300000000, 0.0017660900000000, -0.0033147600000000 ] - [ -0.0002312400000000, 0.0010251300000000, -0.0006211600000000 ] - [ -0.0001862400000000, -0.0001717900000000, 0.0004346400000000 ] - [ -0.0003314000000000, 0.0000250700000000, 0.0001565600000000 ] - [ -0.0004553800000000, 0.0000680200000000, -0.0009270800000000 ] - [ 0.0000233100000000, -0.0000020500000000, -0.0004498900000000 ] - [ 0.0007091700000000, -0.0004618400000000, 0.0002929700000000 ] - [ -0.0002828700000000, -0.0001966200000000, -0.0003221700000000 ] - [ -0.0007210800000000, 0.0003381200000000, -0.0003954500000000 ] - [ -0.0005644900000000, 0.0003418800000000, -0.0004798200000000 ] - [ -0.0003448800000000, 0.0006174400000000, 0.0006202900000000 ] - [ -0.0003264400000000, 0.0006489700000000, 0.0005158600000000 ] - [ 0.0009031900000000, -0.0008624200000000, -0.0019838200000000 ] - [ 0.0002689300000000, -0.0001754100000000, 0.0001361300000000 ] - [ 0.0003718500000000, -0.0003890000000000, 0.0009009300000000 ] - [ 0.0002339400000000, -0.0001026700000000, 0.0004171400000000 ] - [ -0.0011023100000000, 0.0005311700000000, -0.0009067900000000 ] - [ -0.0004229200000000, 0.0002494800000000, -0.0005969800000000 ] - [ 0.0005284500000000, -0.0007951100000000, 0.0004557100000000 ] - [ -0.0000112200000000, 0.0001143100000000, -0.0000238300000000 ] - [ 0.0014401200000000, -0.0001449200000000, -0.0020340900000000 ] - [ 0.0009310200000000, 0.0012746500000000, 0.0003968100000000 ] - [ 0.0000588300000000, -0.0003141300000000, 0.0005751800000000 ] - [ -0.0000138000000000, -0.0000694300000000, 0.0003821100000000 ] - [ 0.0038257600000000, -0.0013116200000000, -0.0033455100000000 ] - [ 0.0001315100000000, 0.0003261600000000, 0.0002195800000000 ] - [ 0.0002119500000000, -0.0003120500000000, 0.0006617600000000 ] - [ 0.0001140400000000, 0.0002837100000000, 0.0003567300000000 ]- atom: 49 displacement: [ 0.0099999999946580, 0.0000000000000000, -0.0000003268642978 ] forces: - [ -0.0012814800000000, 0.0004504500000000, 0.0002873500000000 ] - [ -0.0001304100000000, 0.0001194500000000, 0.0001896900000000 ] - [ 0.0037960600000000, -0.0017226600000000, -0.0058956900000000 ] - [ 0.0002290500000000, 0.0001305400000000, -0.0001472400000000 ] - [ -0.0028744800000000, 0.0028850100000000, 0.0020013200000000 ] - [ -0.0002287500000000, -0.0003109500000000, 0.0001907700000000 ] - [ -0.0001512000000000, -0.0000712400000000, -0.0007961900000000 ] - [ 0.0000344200000000, -0.0000050600000000, -0.0002784700000000 ] - [ 0.0004712000000000, 0.0007113900000000, -0.0002406800000000 ] - [ 0.0003462000000000, -0.0021238200000000, -0.0014241000000000 ] - [ -0.0005243700000000, -0.0000430000000000, -0.0000140800000000 ] - [ -0.0011067400000000, -0.0000011600000000, -0.0000892300000000 ] - [ 0.0000707400000000, -0.0001917400000000, 0.0002511300000000 ] - [ 0.0007975300000000, 0.0014360700000000, 0.0019160200000000 ] - [ -0.0000109800000000, 0.0000970300000000, -0.0001950100000000 ] - [ -0.0000382900000000, -0.0003895700000000, -0.0006460800000000 ] - [ 0.0003953100000000, -0.0002633600000000, 0.0006338500000000 ] - [ 0.0002294800000000, 0.0001787700000000, 0.0008692800000000 ] - [ 0.0005479500000000, -0.0000341300000000, 0.0006776100000000 ] - [ 0.0002860400000000, -0.0003653800000000, 0.0000318600000000 ] - [ 0.0000721600000000, 0.0001024500000000, 0.0000549700000000 ] - [ 0.1664896300000000, 0.0649072200000000, 0.1021002700000000 ] - [ -0.0002383800000000, 0.0000562900000000, -0.0002636800000000 ] - [ -0.0010546200000000, 0.0002452100000000, -0.0009266600000000 ] - [ 0.0033454400000000, -0.0007550500000000, 0.0016372800000000 ] - [ 0.0024137900000000, 0.0003423200000000, 0.0020358600000000 ] - [ -0.0002823100000000, 0.0000519200000000, -0.0002444000000000 ] - [ -0.0003263700000000, -0.0002318300000000, -0.0000928400000000 ] - [ 0.0030107300000000, 0.0006226400000000, -0.0007587700000000 ] - [ 0.0000031200000000, 0.0000380400000000, -0.0000812300000000 ] - [ -0.0006231200000000, -0.0026233500000000, 0.0020996800000000 ] - [ -0.0001175600000000, 0.0000056400000000, -0.0001790800000000 ] - [ -0.0044438500000000, 0.0005486400000000, -0.0030957400000000 ] - [ 0.0000266000000000, 0.0001098400000000, 0.0002260000000000 ] - [ -0.0021504500000000, -0.0007547700000000, -0.0029126200000000 ] - [ 0.0000435800000000, -0.0000392600000000, 0.0000008200000000 ] - [ -0.0011550200000000, 0.0001756900000000, 0.0003254900000000 ] - [ -0.0012476300000000, 0.0015419700000000, -0.0007310000000000 ] - [ 0.0004333200000000, -0.0004098600000000, -0.0009487100000000 ] - [ 0.0000457400000000, -0.0002835800000000, -0.0005903000000000 ] - [ -0.0000544800000000, 0.0000547100000000, 0.0002479100000000 ] - [ -0.0029792200000000, -0.0011643300000000, 0.0002603700000000 ] - [ 0.0002180200000000, 0.0000658600000000, -0.0000383600000000 ] - [ 0.0003960200000000, 0.0006384000000000, -0.0016735200000000 ] - [ -0.0005794200000000, 0.0005534200000000, -0.0010737700000000 ] - [ -0.0007884100000000, -0.0008477400000000, -0.0001880000000000 ] - [ -0.0011193300000000, -0.0014359200000000, -0.0004165800000000 ] - [ 0.0006708300000000, 0.0011867300000000, -0.0011358500000000 ] - [ -0.1609790400000000, -0.0491028800000000, -0.1102471800000000 ] - [ -0.0003802900000000, -0.0001641800000000, -0.0002566200000000 ] - [ 0.0002616100000000, 0.0000083200000000, 0.0002687500000000 ] - [ -0.0001459000000000, -0.0000682900000000, -0.0000890700000000 ] - [ 0.0021438100000000, 0.0002251100000000, -0.0000298500000000 ] - [ 0.0002770900000000, -0.0001297300000000, 0.0000937500000000 ] - [ 0.0005104300000000, -0.0005624900000000, 0.0013142600000000 ] - [ 0.0002201900000000, -0.0001015800000000, 0.0002338600000000 ] - [ -0.0001106800000000, -0.0000733400000000, 0.0000187900000000 ] - [ -0.0001425600000000, 0.0000575600000000, -0.0001685400000000 ] - [ 0.0000656600000000, -0.0002420800000000, -0.0003963200000000 ] - [ 0.0003400900000000, 0.0001930200000000, 0.0001752300000000 ] - [ 0.0045863200000000, 0.0011655900000000, -0.0039629100000000 ] - [ 0.0003438500000000, 0.0003339200000000, 0.0001481200000000 ] - [ -0.0001662800000000, 0.0004047300000000, 0.0004629400000000 ] - [ 0.0003610500000000, 0.0003232700000000, 0.0001540700000000 ] - [ 0.0009823500000000, 0.0009516000000000, -0.0000355700000000 ] - [ -0.0000974800000000, -0.0000121000000000, -0.0003272500000000 ] - [ -0.0003926900000000, -0.0001380700000000, 0.0001387400000000 ] - [ -0.0002550200000000, -0.0000300400000000, -0.0002949300000000 ] - [ 0.0004522300000000, -0.0007117200000000, 0.0005987100000000 ] - [ -0.0000119700000000, 0.0003983400000000, -0.0001644100000000 ] - [ 0.0004507700000000, 0.0002105000000000, 0.0004933900000000 ] - [ -0.0000103400000000, -0.0002590400000000, 0.0003802000000000 ] - [ -0.0002447600000000, -0.0004369800000000, -0.0000359100000000 ] - [ -0.0002382200000000, -0.0002950100000000, -0.0002028400000000 ] - [ -0.0013921400000000, -0.0006353500000000, -0.0008673300000000 ] - [ -0.0009196600000000, -0.0005903500000000, -0.0001377600000000 ] - [ -0.0005007100000000, 0.0004340500000000, -0.0002662500000000 ] - [ -0.0009277000000000, -0.0000272500000000, -0.0010408500000000 ] - [ -0.0004047500000000, 0.0003439000000000, -0.0002126200000000 ] - [ -0.0003723200000000, 0.0005259600000000, -0.0000084000000000 ] - [ 0.0003192100000000, -0.0004172500000000, 0.0000626100000000 ] - [ -0.0206448800000000, -0.0045555700000000, 0.0003292800000000 ] - [ 0.0004253900000000, -0.0003489200000000, 0.0001794300000000 ] - [ 0.0009222400000000, -0.0002711700000000, -0.0000259900000000 ] - [ -0.0000098200000000, 0.0003940700000000, -0.0008334200000000 ] - [ -0.0003202700000000, 0.0000425700000000, -0.0004626300000000 ] - [ -0.0007296800000000, 0.0003857000000000, -0.0004621600000000 ] - [ -0.0002459000000000, 0.0001111200000000, -0.0002994100000000 ] - [ 0.0004408900000000, -0.0001563700000000, 0.0005465500000000 ] - [ 0.0003930100000000, 0.0003248500000000, 0.0004045600000000 ] - [ 0.0007469500000000, 0.0020455500000000, 0.0011487200000000 ] - [ -0.0000758800000000, -0.0004977100000000, 0.0002812700000000 ] - [ 0.0048238400000000, -0.0090890100000000, 0.0108418200000000 ] - [ 0.0001194800000000, 0.0000336700000000, 0.0002492300000000 ] - [ 0.0007169200000000, -0.0003307500000000, 0.0008411800000000 ] - [ 0.0002628200000000, -0.0000558000000000, 0.0003911200000000 ] - [ 0.0003223400000000, -0.0002454700000000, -0.0003218600000000 ] - [ 0.0003201300000000, -0.0000314500000000, 0.0001245000000000 ] - [ -0.0002250600000000, 0.0000066000000000, 0.0002179500000000 ] - [ -0.0002255700000000, 0.0000807600000000, 0.0002248200000000 ] - [ -0.0009936500000000, -0.0005253600000000, -0.0006539400000000 ] - [ -0.0009955900000000, 0.0012922800000000, -0.0009204600000000 ] - [ 0.0004987300000000, -0.0001536200000000, 0.0003542900000000 ] - [ 0.0004985200000000, -0.0001339300000000, 0.0003731900000000 ] - [ 0.0002631600000000, 0.0000325600000000, 0.0001292200000000 ] - [ 0.0022559000000000, 0.0005099400000000, 0.0014509300000000 ] - [ 0.0002487700000000, 0.0001414700000000, 0.0001818900000000 ] - [ 0.0035658600000000, 0.0006239100000000, 0.0041663300000000 ] - [ 0.0010297700000000, 0.0008803000000000, -0.0004605800000000 ] - [ 0.0001706000000000, -0.0007269600000000, 0.0013408600000000 ] - [ 0.0000753800000000, 0.0000000600000000, 0.0007424500000000 ] - [ 0.0005649300000000, 0.0006662500000000, 0.0002135200000000 ] - [ -0.0008240900000000, -0.0001371800000000, -0.0005683800000000 ] - [ -0.0019781800000000, -0.0020629400000000, -0.0011122500000000 ] - [ -0.0000169300000000, 0.0000140800000000, -0.0001425700000000 ] - [ 0.0000423900000000, 0.0003109000000000, -0.0001693900000000 ] - [ -0.0002597200000000, 0.0000978500000000, -0.0002004700000000 ] - [ -0.0015306400000000, 0.0004099600000000, -0.0016472000000000 ] - [ -0.0002604800000000, 0.0000652300000000, -0.0001125500000000 ] - [ -0.0015387000000000, 0.0004286600000000, -0.0010007100000000 ] - [ -0.0004675700000000, -0.0004197500000000, -0.0000142500000000 ] - [ -0.0010553000000000, -0.0005534000000000, 0.0011957900000000 ] - [ -0.0002674000000000, -0.0003251500000000, -0.0002205200000000 ] - [ 0.0012635300000000, -0.0000390200000000, -0.0004749700000000 ] - [ 0.0016406500000000, 0.0001412400000000, -0.0004216800000000 ] - [ -0.0002503900000000, 0.0002916800000000, -0.0002681600000000 ] - [ -0.0008374400000000, 0.0010310000000000, 0.0014832600000000 ] - [ -0.0004381800000000, 0.0003507100000000, -0.0000272600000000 ] - [ 0.0010442900000000, -0.0005461100000000, -0.0002223900000000 ] - [ 0.0010830000000000, -0.0008963900000000, -0.0003348400000000 ] - [ 0.0000290200000000, 0.0000546400000000, 0.0008483600000000 ] - [ 0.0001028100000000, -0.0002598200000000, 0.0005071300000000 ] - [ -0.0001745400000000, -0.0001828400000000, -0.0003310500000000 ] - [ 0.0016981800000000, -0.0004485000000000, 0.0024995900000000 ] - [ -0.0001311800000000, 0.0000862000000000, -0.0002639000000000 ] - [ 0.0012253200000000, -0.0011525000000000, 0.0008990900000000 ] - [ 0.0001169800000000, -0.0000562800000000, 0.0003122100000000 ] - [ -0.0005147000000000, -0.0002985300000000, 0.0007278400000000 ] - [ 0.0002301300000000, -0.0000340700000000, 0.0003123800000000 ] - [ 0.0009068800000000, 0.0010178900000000, 0.0005220300000000 ] - [ 0.0004929700000000, -0.0002356300000000, 0.0003188800000000 ] - [ 0.0019401500000000, -0.0021747300000000, 0.0000604900000000 ] - [ -0.0000066400000000, 0.0001803200000000, 0.0003595900000000 ] - [ 0.0000481800000000, 0.0001268200000000, 0.0004347500000000 ]- atom: 49 displacement: [ -0.0099999999946580, 0.0000000000000000, 0.0000003268642978 ] forces: - [ 0.0012829100000000, -0.0003763700000000, -0.0002917900000000 ] - [ 0.0001299100000000, -0.0000531200000000, -0.0001914000000000 ] - [ -0.0038679100000000, 0.0017786900000000, 0.0058713200000000 ] - [ -0.0002309500000000, -0.0000610800000000, 0.0001468300000000 ] - [ 0.0028821000000000, -0.0029506300000000, -0.0019883200000000 ] - [ 0.0002346600000000, 0.0002397400000000, -0.0001884800000000 ] - [ 0.0001477900000000, 0.0000035400000000, 0.0007942100000000 ] - [ -0.0000356800000000, -0.0000658100000000, 0.0002780900000000 ] - [ -0.0004709000000000, -0.0006413200000000, 0.0002427800000000 ] - [ -0.0003433000000000, 0.0021970600000000, 0.0014273200000000 ] - [ 0.0005269100000000, 0.0001124600000000, 0.0000141900000000 ] - [ 0.0011112300000000, 0.0000708200000000, 0.0000934700000000 ] - [ -0.0000745200000000, 0.0001210300000000, -0.0002497600000000 ] - [ -0.0010727200000000, -0.0013030100000000, -0.0018281600000000 ] - [ 0.0000124600000000, -0.0001674000000000, 0.0001930400000000 ] - [ 0.0000410400000000, 0.0003214200000000, 0.0006400200000000 ] - [ -0.0002192500000000, 0.0002511600000000, -0.0003639500000000 ] - [ -0.0000482000000000, -0.0002024100000000, -0.0006082400000000 ] - [ -0.0003575900000000, 0.0000094200000000, -0.0004097100000000 ] - [ -0.0001015700000000, 0.0003507000000000, 0.0002364100000000 ] - [ -0.0002529400000000, -0.0000860800000000, -0.0003228100000000 ] - [ -0.1618863800000000, -0.0619912800000000, -0.0967326300000000 ] - [ 0.0000582200000000, -0.0000406500000000, -0.0000067500000000 ] - [ 0.0008742400000000, -0.0002280900000000, 0.0006534800000000 ] - [ -0.0031850600000000, 0.0007449900000000, -0.0013436800000000 ] - [ -0.0022183000000000, -0.0003129300000000, -0.0017569100000000 ] - [ 0.0004660500000000, -0.0000315100000000, 0.0005110400000000 ] - [ 0.0005091100000000, 0.0002503600000000, 0.0003605700000000 ] - [ -0.0032018300000000, -0.0006371900000000, 0.0004646500000000 ] - [ -0.0001879800000000, -0.0000585500000000, -0.0001885300000000 ] - [ 0.0004755200000000, 0.0026056200000000, -0.0023714400000000 ] - [ -0.0000630600000000, -0.0000232100000000, -0.0000902800000000 ] - [ 0.0045982600000000, -0.0005687300000000, 0.0033526400000000 ] - [ 0.0001576500000000, -0.0001299600000000, 0.0000437300000000 ] - [ 0.0023023800000000, 0.0007290000000000, 0.0031699300000000 ] - [ 0.0001374300000000, 0.0000199500000000, 0.0002682200000000 ] - [ 0.0009741300000000, -0.0001542100000000, -0.0005942300000000 ] - [ 0.0010771900000000, -0.0015418900000000, 0.0004699100000000 ] - [ -0.0006096100000000, 0.0004231600000000, 0.0006693900000000 ] - [ -0.0002285900000000, 0.0003040400000000, 0.0003187800000000 ] - [ 0.0002365500000000, -0.0000389300000000, 0.0000240100000000 ] - [ 0.0031780900000000, 0.0011888200000000, 0.0000213900000000 ] - [ -0.0000374600000000, -0.0000497400000000, 0.0003083000000000 ] - [ -0.0002252100000000, -0.0006185200000000, 0.0019332700000000 ] - [ 0.0003991100000000, -0.0005685400000000, 0.0008013700000000 ] - [ 0.0006101400000000, 0.0008284400000000, -0.0000847700000000 ] - [ 0.0009298000000000, 0.0014096500000000, 0.0001408900000000 ] - [ -0.0008675000000000, -0.0012116500000000, 0.0008737600000000 ] - [ 0.1562416800000000, 0.0460133800000000, 0.1040990900000000 ] - [ -0.0001053900000000, -0.0000046100000000, -0.0000363000000000 ] - [ -0.0007476900000000, -0.0001769900000000, -0.0005594700000000 ] - [ -0.0003396800000000, -0.0000999500000000, -0.0002025800000000 ] - [ -0.0016718100000000, -0.0003969000000000, 0.0003200700000000 ] - [ 0.0002083600000000, -0.0000379600000000, 0.0001983900000000 ] - [ -0.0000212300000000, 0.0003872700000000, -0.0010069200000000 ] - [ 0.0002653200000000, -0.0000671700000000, 0.0000590900000000 ] - [ 0.0005970200000000, 0.0002419100000000, 0.0002743700000000 ] - [ 0.0006306900000000, 0.0001133700000000, 0.0004643400000000 ] - [ 0.0004164600000000, 0.0004126300000000, 0.0006888600000000 ] - [ 0.0001428700000000, -0.0000248000000000, 0.0001164700000000 ] - [ -0.0038006100000000, -0.0004629300000000, 0.0042239300000000 ] - [ 0.0004039400000000, 0.0003609700000000, 0.0001332600000000 ] - [ 0.0009121700000000, 0.0002869900000000, -0.0001732200000000 ] - [ 0.0003876800000000, 0.0003719100000000, 0.0001278500000000 ] - [ -0.0013698400000000, -0.0009694700000000, -0.0006172700000000 ] - [ -0.0002836600000000, 0.0000024200000000, -0.0003215300000000 ] - [ 0.0000147900000000, 0.0001284200000000, -0.0007844700000000 ] - [ -0.0001249200000000, 0.0000199400000000, -0.0003533700000000 ] - [ -0.0009368200000000, 0.0008785600000000, -0.0008905600000000 ] - [ -0.0004772100000000, -0.0002281300000000, -0.0001284200000000 ] - [ -0.0009371000000000, -0.0000422300000000, -0.0007881900000000 ] - [ -0.0004753600000000, 0.0004304600000000, -0.0006778700000000 ] - [ -0.0005037600000000, -0.0002584300000000, -0.0002447800000000 ] - [ -0.0005106700000000, -0.0003988600000000, -0.0000781000000000 ] - [ 0.0006452500000000, -0.0000306000000000, 0.0005755700000000 ] - [ 0.0001681800000000, -0.0001065400000000, -0.0001416300000000 ] - [ -0.0002431600000000, 0.0002602100000000, -0.0000196300000000 ] - [ 0.0001845600000000, 0.0007302300000000, 0.0007660600000000 ] - [ -0.0003465700000000, 0.0003529800000000, -0.0000670700000000 ] - [ -0.0003784100000000, 0.0001693800000000, -0.0002714900000000 ] - [ 0.0004288400000000, -0.0002772000000000, 0.0002189900000000 ] - [ 0.0210970200000000, 0.0037767500000000, -0.0001018100000000 ] - [ 0.0003220100000000, -0.0003459800000000, 0.0001028600000000 ] - [ -0.0001759200000000, -0.0004243400000000, 0.0003091900000000 ] - [ -0.0003690400000000, -0.0003889300000000, 0.0001881300000000 ] - [ -0.0000592500000000, -0.0000304500000000, -0.0001831200000000 ] - [ 0.0003441000000000, -0.0003685300000000, -0.0001845700000000 ] - [ -0.0001356000000000, -0.0001000200000000, -0.0003488600000000 ] - [ -0.0000614600000000, 0.0001661700000000, 0.0001028500000000 ] - [ -0.0000137000000000, -0.0003131700000000, 0.0002447600000000 ] - [ -0.0003579100000000, -0.0020310200000000, -0.0005008100000000 ] - [ 0.0004610200000000, 0.0005120900000000, 0.0003689100000000 ] - [ -0.0043397700000000, 0.0089651800000000, -0.0099998100000000 ] - [ 0.0002601900000000, -0.0000447200000000, 0.0003986800000000 ] - [ -0.0003363900000000, 0.0003198100000000, -0.0001923000000000 ] - [ 0.0001176200000000, 0.0000447000000000, 0.0002582300000000 ] - [ -0.0008085800000000, 0.0000756200000000, 0.0000286200000000 ] - [ -0.0008113000000000, -0.0001371000000000, -0.0004223100000000 ] - [ -0.0002586900000000, -0.0001738400000000, -0.0005060200000000 ] - [ -0.0002586700000000, -0.0002503100000000, -0.0005180300000000 ] - [ 0.0014755900000000, 0.0003593900000000, 0.0009395800000000 ] - [ 0.0014738100000000, -0.0014576000000000, 0.0012098300000000 ] - [ -0.0000129500000000, -0.0000160500000000, -0.0000603500000000 ] - [ -0.0000129500000000, -0.0000352300000000, -0.0000797600000000 ] - [ 0.0002215000000000, 0.0001372800000000, 0.0001638100000000 ] - [ -0.0017584100000000, -0.0003369900000000, -0.0011490100000000 ] - [ 0.0002375300000000, 0.0000284600000000, 0.0001113500000000 ] - [ -0.0030655600000000, -0.0004485000000000, -0.0038760300000000 ] - [ -0.0002808000000000, -0.0001863300000000, 0.0007431500000000 ] - [ 0.0005838800000000, 0.0014309700000000, -0.0010742300000000 ] - [ 0.0006707200000000, 0.0006932800000000, -0.0004578700000000 ] - [ 0.0001798600000000, 0.0000280000000000, 0.0000711200000000 ] - [ 0.0004487300000000, 0.0001343700000000, -0.0000802900000000 ] - [ 0.0016038800000000, 0.0020152200000000, 0.0004586000000000 ] - [ -0.0003639000000000, -0.0000252500000000, -0.0005046200000000 ] - [ -0.0004234400000000, -0.0003213600000000, -0.0004776600000000 ] - [ -0.0002254300000000, 0.0000721100000000, -0.0000926400000000 ] - [ 0.0010470300000000, -0.0002459300000000, 0.0013700300000000 ] - [ -0.0002256100000000, 0.0001045900000000, -0.0001799600000000 ] - [ 0.0010388700000000, -0.0002606900000000, 0.0007133900000000 ] - [ -0.0002809500000000, -0.0002740300000000, -0.0002673400000000 ] - [ 0.0003061300000000, -0.0001415900000000, -0.0014750900000000 ] - [ -0.0004810000000000, -0.0003688100000000, -0.0000614700000000 ] - [ -0.0020181600000000, -0.0006568400000000, 0.0001871300000000 ] - [ -0.0023877300000000, 0.0005526000000000, 0.0001365600000000 ] - [ -0.0004988100000000, 0.0004044800000000, -0.0000136700000000 ] - [ 0.0000982100000000, -0.0003387200000000, -0.0017685700000000 ] - [ -0.0003101100000000, 0.0003455100000000, -0.0002542100000000 ] - [ -0.0002962200000000, -0.0001511400000000, 0.0005028600000000 ] - [ -0.0003432400000000, 0.0002097100000000, 0.0006217100000000 ] - [ 0.0007197600000000, -0.0007394900000000, -0.0005562700000000 ] - [ 0.0006465400000000, -0.0004364600000000, -0.0002261600000000 ] - [ -0.0002070100000000, 0.0001945200000000, -0.0003167800000000 ] - [ -0.0020627400000000, 0.0004655900000000, -0.0031247000000000 ] - [ -0.0002491900000000, -0.0000757700000000, -0.0003834000000000 ] - [ -0.0016096800000000, 0.0011665800000000, -0.0015522500000000 ] - [ 0.0002637600000000, 0.0000671300000000, 0.0003352500000000 ] - [ 0.0009015900000000, 0.0003146800000000, -0.0000750900000000 ] - [ 0.0001493500000000, 0.0000461600000000, 0.0003365000000000 ] - [ -0.0005361400000000, -0.0010151000000000, 0.0001236000000000 ] - [ -0.0001124800000000, 0.0002242000000000, 0.0003290400000000 ] - [ -0.0015779600000000, 0.0021870800000000, 0.0005909800000000 ] - [ 0.0003856300000000, -0.0001885700000000, 0.0002894400000000 ] - [ 0.0003321200000000, -0.0001388600000000, 0.0002142600000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000288600000000, 0.0007203500000000, 0.0000349100000000 ] - [ 0.0000369300000000, -0.0004435500000000, -0.0000781100000000 ] - [ -0.0003241300000000, 0.0019854400000000, -0.0007310800000000 ] - [ 0.0000674000000000, -0.0007621300000000, 0.0002163500000000 ] - [ 0.0009939100000000, 0.0005933200000000, 0.0006073100000000 ] - [ -0.0004682400000000, -0.0007611700000000, 0.0000528000000000 ] - [ -0.0002094800000000, 0.0004095500000000, -0.0004759700000000 ] - [ 0.0000553300000000, -0.0004076200000000, -0.0001408600000000 ] - [ 0.0001278200000000, -0.0002993100000000, 0.0004398800000000 ] - [ -0.0007178300000000, -0.0015544200000000, -0.0017937800000000 ] - [ -0.0001862600000000, -0.0003828500000000, -0.0000637100000000 ] - [ 0.0000476800000000, 0.0003671400000000, 0.0001874100000000 ] - [ -0.0003579000000000, -0.0009354500000000, 0.0003196700000000 ] - [ -0.0027531800000000, 0.0054531400000000, 0.0024206800000000 ] - [ 0.0000350700000000, -0.0004274700000000, -0.0001487700000000 ] - [ 0.0000116600000000, 0.0003290600000000, -0.0003640700000000 ] - [ -0.0001038900000000, 0.0001324200000000, 0.0008201400000000 ] - [ 0.0007719800000000, -0.0008233800000000, -0.0005782600000000 ] - [ 0.0010193800000000, -0.0005635500000000, -0.0004090800000000 ] - [ -0.0002635000000000, 0.0000746700000000, 0.0005491400000000 ] - [ 0.0002784900000000, -0.0009308000000000, -0.0000838500000000 ] - [ 0.0660221300000000, 0.0709819500000000, 0.0539669000000000 ] - [ -0.0000141800000000, -0.0002952600000000, -0.0002918300000000 ] - [ -0.0002183100000000, 0.0002056800000000, -0.0005342000000000 ] - [ 0.0005303000000000, -0.0053417300000000, 0.0026723600000000 ] - [ -0.0015012300000000, -0.0019273300000000, 0.0000272300000000 ] - [ 0.0001610600000000, 0.0000868200000000, -0.0001381300000000 ] - [ 0.0000055800000000, -0.0000017500000000, -0.0000094200000000 ] - [ 0.0015558400000000, 0.0015126200000000, -0.0014849300000000 ] - [ -0.0002247400000000, -0.0004918800000000, -0.0000644300000000 ] - [ 0.0002130600000000, 0.0009227200000000, -0.0000355400000000 ] - [ -0.0002752400000000, -0.0005085200000000, 0.0000230400000000 ] - [ -0.0008187600000000, 0.0032886900000000, -0.0004333900000000 ] - [ 0.0002893300000000, -0.0004387700000000, 0.0000699800000000 ] - [ -0.0009370800000000, 0.0003725300000000, -0.0001632300000000 ] - [ 0.0001967900000000, -0.0005248400000000, -0.0000370100000000 ] - [ -0.0005362700000000, 0.0001551600000000, 0.0001788100000000 ] - [ 0.0003946800000000, -0.0005539900000000, 0.0002056400000000 ] - [ 0.0001426600000000, -0.0003820200000000, -0.0009020300000000 ] - [ -0.0002529900000000, -0.0000668800000000, -0.0003667900000000 ] - [ -0.0001086900000000, -0.0004390600000000, 0.0002864000000000 ] - [ 0.0004929200000000, 0.0005242800000000, 0.0004685000000000 ] - [ -0.0000374200000000, -0.0003764700000000, 0.0001464000000000 ] - [ -0.0003456100000000, 0.0008195600000000, -0.0013409700000000 ] - [ 0.0000738600000000, 0.0001059300000000, -0.0000260200000000 ] - [ -0.0004543700000000, -0.0002331100000000, -0.0004800700000000 ] - [ -0.0015473600000000, -0.0012965400000000, -0.0009326900000000 ] - [ 0.0004601700000000, -0.0001473200000000, 0.0006899200000000 ] - [ -0.0480562500000000, -0.0657337400000000, -0.0636780600000000 ] - [ -0.0003209600000000, 0.0003223200000000, -0.0001470100000000 ] - [ -0.0001496700000000, -0.0001428300000000, 0.0000115200000000 ] - [ -0.0002259700000000, 0.0000496200000000, -0.0000499200000000 ] - [ -0.0000705100000000, -0.0004616000000000, 0.0000347900000000 ] - [ 0.0002871500000000, 0.0001182300000000, 0.0000469300000000 ] - [ 0.0007158800000000, -0.0008228900000000, 0.0015735800000000 ] - [ 0.0002587500000000, 0.0000655000000000, 0.0001028900000000 ] - [ 0.0000847100000000, -0.0000791400000000, -0.0001353800000000 ] - [ 0.0002143200000000, 0.0003842900000000, 0.0005170600000000 ] - [ -0.0000835100000000, 0.0000862900000000, 0.0001499300000000 ] - [ 0.0003502300000000, 0.0000858300000000, 0.0000296100000000 ] - [ -0.0003649400000000, -0.0009867400000000, 0.0001078300000000 ] - [ 0.0005504500000000, 0.0006558700000000, -0.0000781000000000 ] - [ -0.0002364400000000, -0.0000999100000000, 0.0008849800000000 ] - [ 0.0004746100000000, 0.0005603700000000, 0.0000363200000000 ] - [ -0.0004067400000000, -0.0004514600000000, -0.0005186300000000 ] - [ -0.0000749100000000, 0.0003350100000000, -0.0003161200000000 ] - [ -0.0000810700000000, -0.0002363400000000, -0.0000013900000000 ] - [ -0.0001318000000000, 0.0002650500000000, -0.0002649200000000 ] - [ -0.0003692700000000, 0.0000667400000000, -0.0002930800000000 ] - [ 0.0001017800000000, 0.0002109600000000, -0.0000048100000000 ] - [ 0.0005521100000000, 0.0000650000000000, 0.0005568200000000 ] - [ -0.0005557000000000, 0.0002117700000000, -0.0004502000000000 ] - [ -0.0003733900000000, -0.0004754300000000, -0.0000798600000000 ] - [ -0.0004544600000000, -0.0002817800000000, -0.0000052600000000 ] - [ -0.0012952100000000, 0.0032375500000000, -0.0001972700000000 ] - [ 0.0005153300000000, 0.0004763200000000, -0.0010773200000000 ] - [ 0.0000330100000000, 0.0005025000000000, -0.0007370500000000 ] - [ -0.0010707200000000, 0.0008715600000000, 0.0005486900000000 ] - [ -0.0007582400000000, 0.0005679000000000, 0.0002266700000000 ] - [ -0.0002563600000000, 0.0002726300000000, -0.0002441500000000 ] - [ 0.0001851400000000, 0.0000204300000000, 0.0002637600000000 ] - [ 0.0012922200000000, 0.0004380200000000, 0.0136450500000000 ] - [ 0.0002776300000000, -0.0001669800000000, 0.0002948600000000 ] - [ 0.0003757700000000, -0.0004810100000000, 0.0002069300000000 ] - [ 0.0000845800000000, -0.0001120800000000, -0.0006218300000000 ] - [ -0.0004966100000000, 0.0005823100000000, -0.0003443600000000 ] - [ -0.0006371000000000, 0.0004109200000000, -0.0002023100000000 ] - [ -0.0001340500000000, 0.0001033500000000, -0.0004032500000000 ] - [ 0.0001100000000000, -0.0002467300000000, 0.0002943400000000 ] - [ 0.0003214200000000, 0.0002682900000000, 0.0004507100000000 ] - [ 0.0012647000000000, 0.0015490300000000, 0.0012989000000000 ] - [ -0.0000370600000000, 0.0002521300000000, 0.0000198700000000 ] - [ -0.0152029700000000, -0.0155994500000000, -0.0084594600000000 ] - [ 0.0000931400000000, 0.0005945100000000, 0.0002510100000000 ] - [ 0.0003204200000000, -0.0002607600000000, 0.0005016100000000 ] - [ 0.0001427400000000, 0.0002133000000000, 0.0003292400000000 ] - [ -0.0001896200000000, -0.0000942500000000, -0.0002304200000000 ] - [ -0.0004019800000000, -0.0000950300000000, -0.0003466700000000 ] - [ -0.0000763200000000, 0.0000320000000000, 0.0001399100000000 ] - [ -0.0001516200000000, 0.0000311100000000, 0.0002232000000000 ] - [ -0.0011244700000000, 0.0004014200000000, -0.0011198800000000 ] - [ 0.0006881700000000, 0.0003972200000000, 0.0002183400000000 ] - [ 0.0002910600000000, -0.0001140600000000, 0.0002791900000000 ] - [ 0.0003099900000000, -0.0001142600000000, 0.0002268500000000 ] - [ 0.0001897600000000, 0.0002183500000000, 0.0001873700000000 ] - [ 0.0006631800000000, -0.0003884500000000, 0.0006413600000000 ] - [ 0.0002974700000000, 0.0003868200000000, 0.0002897200000000 ] - [ 0.0007702600000000, -0.0004404200000000, -0.0001077500000000 ] - [ 0.0010275400000000, 0.0008109600000000, -0.0002183400000000 ] - [ 0.0002635200000000, 0.0005002600000000, -0.0002553300000000 ] - [ 0.0002672500000000, 0.0003614000000000, 0.0002118600000000 ] - [ 0.0005438800000000, 0.0003604500000000, 0.0003159400000000 ] - [ 0.0000867000000000, 0.0016713600000000, -0.0000439300000000 ] - [ 0.0001994300000000, 0.0041303400000000, -0.0002417200000000 ] - [ -0.0001869000000000, 0.0000587300000000, -0.0002510000000000 ] - [ -0.0001694100000000, -0.0000339400000000, -0.0002531000000000 ] - [ -0.0002219200000000, 0.0002938900000000, -0.0002517100000000 ] - [ -0.0005835300000000, -0.0003403600000000, 0.0001579300000000 ] - [ -0.0002546400000000, 0.0002940600000000, -0.0002076900000000 ] - [ -0.0005677200000000, -0.0003412800000000, -0.0001897800000000 ] - [ -0.0003003500000000, -0.0001497800000000, -0.0002517900000000 ] - [ -0.0005572800000000, -0.0008721400000000, 0.0009104700000000 ] - [ -0.0001760700000000, -0.0001036100000000, -0.0003304000000000 ] - [ -0.0006676500000000, -0.0006348200000000, -0.0003189900000000 ] - [ -0.0000888400000000, -0.0003355700000000, -0.0006206600000000 ] - [ -0.0004853900000000, 0.0005808000000000, 0.0000044600000000 ] - [ 0.0000847200000000, 0.0000982600000000, -0.0000042100000000 ] - [ -0.0005279200000000, 0.0005938700000000, 0.0000414400000000 ] - [ 0.0005090000000000, -0.0004998900000000, -0.0000693600000000 ] - [ 0.0002028600000000, -0.0000923000000000, 0.0002468400000000 ] - [ 0.0002555100000000, 0.0000606600000000, 0.0008568100000000 ] - [ 0.0003675100000000, -0.0002268500000000, 0.0001645700000000 ] - [ -0.0003088100000000, 0.0003187500000000, -0.0003896200000000 ] - [ 0.0014050800000000, -0.0017138200000000, 0.0015286900000000 ] - [ -0.0002120000000000, 0.0003090900000000, -0.0003052500000000 ] - [ 0.0002845400000000, -0.0005618200000000, 0.0000255300000000 ] - [ 0.0002594300000000, 0.0002810000000000, 0.0003387700000000 ] - [ -0.0002998400000000, -0.0004311800000000, 0.0009008000000000 ] - [ 0.0002609500000000, 0.0003558000000000, 0.0003531600000000 ] - [ -0.0000404700000000, -0.0006921200000000, 0.0000243000000000 ] - [ 0.0003257000000000, 0.0000193100000000, 0.0002810800000000 ] - [ -0.0003707400000000, 0.0006825500000000, 0.0002940900000000 ] - [ 0.0000979700000000, 0.0002499400000000, 0.0004362500000000 ] - [ 0.0002513300000000, -0.0001510600000000, 0.0003592000000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000318500000000, -0.0006555300000000, -0.0000347700000000 ] - [ -0.0000372700000000, 0.0005143100000000, 0.0000780500000000 ] - [ 0.0003080400000000, -0.0019000200000000, 0.0007383200000000 ] - [ -0.0000677700000000, 0.0008331800000000, -0.0002139800000000 ] - [ -0.0009905800000000, -0.0006826500000000, -0.0006228000000000 ] - [ 0.0004667100000000, 0.0006937500000000, -0.0000538900000000 ] - [ 0.0002107300000000, -0.0004810500000000, 0.0004786200000000 ] - [ -0.0000552100000000, 0.0003391600000000, 0.0001424900000000 ] - [ -0.0001299600000000, 0.0003669200000000, -0.0004440000000000 ] - [ 0.0007206900000000, 0.0016337000000000, 0.0018032300000000 ] - [ 0.0001862000000000, 0.0004526700000000, 0.0000631800000000 ] - [ -0.0000449100000000, -0.0002976400000000, -0.0001880100000000 ] - [ 0.0003630000000000, 0.0008695200000000, -0.0003222900000000 ] - [ 0.0025869300000000, -0.0054640400000000, -0.0023980000000000 ] - [ -0.0000344200000000, 0.0003584000000000, 0.0001505300000000 ] - [ -0.0000118200000000, -0.0003977400000000, 0.0003675700000000 ] - [ 0.0002873500000000, -0.0001544700000000, -0.0005548000000000 ] - [ -0.0005946300000000, 0.0008092900000000, 0.0008511800000000 ] - [ -0.0008474200000000, 0.0005460700000000, 0.0006851100000000 ] - [ 0.0004426500000000, -0.0000895900000000, -0.0002780300000000 ] - [ -0.0004620600000000, 0.0009520700000000, -0.0001883700000000 ] - [ -0.0655400700000000, -0.0713537600000000, -0.0536537800000000 ] - [ -0.0001656500000000, 0.0003127500000000, 0.0000231500000000 ] - [ 0.0000397700000000, -0.0001886900000000, 0.0002674200000000 ] - [ -0.0003603000000000, 0.0053960400000000, -0.0024204800000000 ] - [ 0.0016614500000000, 0.0019513700000000, 0.0002266700000000 ] - [ 0.0000204200000000, -0.0000691200000000, 0.0004106700000000 ] - [ 0.0001769600000000, 0.0000210400000000, 0.0002800700000000 ] - [ -0.0017406000000000, -0.0015359100000000, 0.0012289300000000 ] - [ 0.0000432600000000, 0.0004746100000000, -0.0002066000000000 ] - [ -0.0003909300000000, -0.0009326300000000, -0.0002431600000000 ] - [ 0.0000937200000000, 0.0004923100000000, -0.0002927500000000 ] - [ 0.0010113200000000, -0.0033012300000000, 0.0007130600000000 ] - [ -0.0001090300000000, 0.0004209400000000, 0.0001990800000000 ] - [ 0.0011347200000000, -0.0003831100000000, 0.0004451600000000 ] - [ -0.0000148200000000, 0.0005072100000000, 0.0003081900000000 ] - [ 0.0003594300000000, -0.0001400300000000, -0.0004503300000000 ] - [ -0.0005756200000000, 0.0005721500000000, -0.0004764600000000 ] - [ -0.0003235600000000, 0.0004005300000000, 0.0006372400000000 ] - [ 0.0000720600000000, 0.0000868300000000, 0.0000994800000000 ] - [ 0.0002901700000000, 0.0004567700000000, -0.0000165900000000 ] - [ -0.0003053600000000, -0.0005036500000000, -0.0002005600000000 ] - [ 0.0002188400000000, 0.0003944700000000, 0.0001248200000000 ] - [ 0.0005263600000000, -0.0008048400000000, 0.0016193600000000 ] - [ -0.0002535400000000, -0.0001260700000000, -0.0002396400000000 ] - [ 0.0002761400000000, 0.0002183200000000, 0.0002104800000000 ] - [ 0.0013711300000000, 0.0012768900000000, 0.0006678100000000 ] - [ -0.0006377300000000, 0.0001297900000000, -0.0009584400000000 ] - [ 0.0470174700000000, 0.0660096700000000, 0.0625423900000000 ] - [ -0.0001637200000000, -0.0004927600000000, -0.0001449100000000 ] - [ -0.0003373900000000, -0.0000265200000000, -0.0003063800000000 ] - [ -0.0002597400000000, -0.0002189400000000, -0.0002434300000000 ] - [ 0.0005539300000000, 0.0002918600000000, 0.0002597800000000 ] - [ 0.0001981500000000, -0.0002878700000000, 0.0002468800000000 ] - [ -0.0002321200000000, 0.0006568900000000, -0.0012870200000000 ] - [ 0.0002264400000000, -0.0002348600000000, 0.0001894800000000 ] - [ 0.0004016000000000, 0.0002498700000000, 0.0004301400000000 ] - [ 0.0002718800000000, -0.0002168600000000, -0.0002251600000000 ] - [ 0.0005731000000000, 0.0000850000000000, 0.0001457400000000 ] - [ 0.0001349400000000, 0.0000821100000000, 0.0002627700000000 ] - [ 0.0010947700000000, 0.0016806600000000, 0.0001872100000000 ] - [ 0.0001988000000000, 0.0000376600000000, 0.0003593800000000 ] - [ 0.0009875300000000, 0.0007960500000000, -0.0006074400000000 ] - [ 0.0002733300000000, 0.0001328100000000, 0.0002461000000000 ] - [ 0.0000240900000000, 0.0004402500000000, -0.0001281000000000 ] - [ -0.0003057000000000, -0.0003463400000000, -0.0003313500000000 ] - [ -0.0002996900000000, 0.0002257800000000, -0.0006495000000000 ] - [ -0.0002488500000000, -0.0002765800000000, -0.0003832700000000 ] - [ -0.0001189900000000, 0.0001066000000000, -0.0000030100000000 ] - [ -0.0005898800000000, -0.0000432500000000, -0.0002884600000000 ] - [ -0.0010395300000000, 0.0001045900000000, -0.0008514000000000 ] - [ 0.0000690500000000, -0.0000426300000000, 0.0001568000000000 ] - [ -0.0003746200000000, -0.0002175100000000, -0.0002034000000000 ] - [ -0.0002941000000000, -0.0004128900000000, -0.0002769000000000 ] - [ 0.0005709500000000, -0.0039832600000000, -0.0000981600000000 ] - [ -0.0012595600000000, -0.0011692600000000, 0.0007952300000000 ] - [ -0.0007855500000000, 0.0001927300000000, 0.0004609900000000 ] - [ 0.0003261200000000, -0.0001800200000000, -0.0008309300000000 ] - [ 0.0000138500000000, 0.0001261200000000, -0.0005119300000000 ] - [ -0.0004923200000000, 0.0004218600000000, -0.0000376500000000 ] - [ 0.0005632000000000, -0.0007165600000000, 0.0000193500000000 ] - [ -0.0004975000000000, -0.0011653400000000, -0.0132042400000000 ] - [ 0.0004714800000000, -0.0005288400000000, -0.0000144300000000 ] - [ 0.0003719100000000, -0.0002146600000000, 0.0000744900000000 ] - [ -0.0004672800000000, 0.0001251900000000, -0.0000243600000000 ] - [ 0.0001179200000000, -0.0005757200000000, -0.0003016600000000 ] - [ 0.0002584400000000, -0.0004013400000000, -0.0004457700000000 ] - [ -0.0002463600000000, -0.0000936600000000, -0.0002450100000000 ] - [ 0.0002700500000000, 0.0002588500000000, 0.0003529100000000 ] - [ 0.0000584700000000, -0.0002588800000000, 0.0001969200000000 ] - [ -0.0008875700000000, -0.0015371400000000, -0.0006553100000000 ] - [ 0.0004158800000000, -0.0002418100000000, 0.0006268200000000 ] - [ 0.0155962100000000, 0.0154647200000000, 0.0092049700000000 ] - [ 0.0002885400000000, -0.0006073500000000, 0.0003976500000000 ] - [ 0.0000588800000000, 0.0002515100000000, 0.0001443000000000 ] - [ 0.0002381500000000, -0.0002255200000000, 0.0003189000000000 ] - [ -0.0002969500000000, -0.0000734500000000, -0.0000612900000000 ] - [ -0.0000833300000000, -0.0000744800000000, 0.0000541200000000 ] - [ -0.0004099400000000, -0.0002009400000000, -0.0004339800000000 ] - [ -0.0003341800000000, -0.0002018400000000, -0.0005193900000000 ] - [ 0.0016273800000000, -0.0005734700000000, 0.0014249900000000 ] - [ -0.0001943800000000, -0.0005777500000000, 0.0000820000000000 ] - [ 0.0001944700000000, -0.0000548400000000, 0.0000131700000000 ] - [ 0.0001747400000000, -0.0000550200000000, 0.0000655700000000 ] - [ 0.0002963800000000, -0.0000491200000000, 0.0001061200000000 ] - [ -0.0001814800000000, 0.0005561700000000, -0.0003502000000000 ] - [ 0.0001867100000000, -0.0002187500000000, 0.0000020900000000 ] - [ -0.0003003900000000, 0.0006140400000000, 0.0003878200000000 ] - [ -0.0002811400000000, -0.0001173300000000, 0.0004994300000000 ] - [ 0.0004841000000000, 0.0001924400000000, 0.0005390500000000 ] - [ 0.0004833000000000, 0.0003343600000000, 0.0000667900000000 ] - [ 0.0002020100000000, 0.0003317400000000, -0.0000334100000000 ] - [ -0.0004690200000000, -0.0017014700000000, -0.0006106300000000 ] - [ -0.0005792700000000, -0.0040803600000000, -0.0004084200000000 ] - [ -0.0001937800000000, -0.0000687100000000, -0.0003970400000000 ] - [ -0.0002116600000000, 0.0000223100000000, -0.0003948900000000 ] - [ -0.0002640000000000, -0.0001254300000000, -0.0000409600000000 ] - [ 0.0001036000000000, 0.0005108800000000, -0.0004553600000000 ] - [ -0.0002303200000000, -0.0001258300000000, -0.0000855700000000 ] - [ 0.0000861100000000, 0.0005098200000000, -0.0001002600000000 ] - [ -0.0004481900000000, -0.0005446500000000, -0.0000297800000000 ] - [ -0.0001881800000000, 0.0001800500000000, -0.0011997500000000 ] - [ -0.0005736100000000, -0.0005910900000000, 0.0000498800000000 ] - [ -0.0000838500000000, -0.0000599700000000, 0.0000389100000000 ] - [ -0.0006682200000000, 0.0010303000000000, 0.0003386300000000 ] - [ -0.0002622800000000, 0.0001134700000000, -0.0002866900000000 ] - [ -0.0008345000000000, 0.0005959600000000, -0.0002814000000000 ] - [ -0.0002204800000000, 0.0001005700000000, -0.0003241200000000 ] - [ 0.0002373800000000, -0.0001939600000000, 0.0003524900000000 ] - [ 0.0005450700000000, -0.0006029000000000, 0.0000352000000000 ] - [ 0.0004931100000000, -0.0007559000000000, -0.0005769100000000 ] - [ 0.0003818700000000, -0.0004699100000000, 0.0001149000000000 ] - [ -0.0000708700000000, -0.0003093600000000, -0.0002560700000000 ] - [ -0.0017840200000000, 0.0017287100000000, -0.0021744400000000 ] - [ -0.0001689200000000, -0.0002993800000000, -0.0003418300000000 ] - [ -0.0006726200000000, 0.0005756400000000, -0.0006787000000000 ] - [ 0.0001207500000000, -0.0002721200000000, 0.0003078000000000 ] - [ 0.0006806600000000, 0.0004426700000000, -0.0002549600000000 ] - [ 0.0001201900000000, -0.0003452000000000, 0.0002951100000000 ] - [ 0.0004204000000000, 0.0007009500000000, 0.0006225400000000 ] - [ 0.0000531400000000, -0.0000276700000000, 0.0003658600000000 ] - [ 0.0007511900000000, -0.0006934800000000, 0.0003553000000000 ] - [ 0.0002825700000000, -0.0002603000000000, 0.0002094000000000 ] - [ 0.0001291600000000, 0.0001408500000000, 0.0002867300000000 ]- atom: 49 displacement: [ -0.0063550541202937, 0.0000000000000000, 0.0077209641320329 ] forces: - [ 0.0006377000000000, 0.0002633600000000, -0.0003199800000000 ] - [ 0.0001210100000000, -0.0002193500000000, -0.0001539200000000 ] - [ -0.0038505100000000, 0.0014437300000000, 0.0085101900000000 ] - [ -0.0001315200000000, -0.0000988600000000, 0.0000702700000000 ] - [ 0.0005461100000000, -0.0003167300000000, 0.0010684800000000 ] - [ 0.0001483300000000, -0.0000394300000000, 0.0002305100000000 ] - [ -0.0002955000000000, 0.0001176800000000, -0.0005426200000000 ] - [ 0.0000066700000000, -0.0001989400000000, -0.0002120200000000 ] - [ -0.0002164800000000, 0.0000509800000000, -0.0000826400000000 ] - [ -0.0013735300000000, -0.0012867400000000, -0.0011178200000000 ] - [ 0.0001729000000000, -0.0001879000000000, 0.0000591500000000 ] - [ 0.0006031700000000, 0.0004536800000000, 0.0001538800000000 ] - [ -0.0000712500000000, -0.0001598800000000, 0.0002247500000000 ] - [ -0.0018577300000000, 0.0010688300000000, 0.0031924800000000 ] - [ 0.0000628500000000, -0.0002919100000000, -0.0002019700000000 ] - [ 0.0000927800000000, 0.0003987800000000, -0.0007273100000000 ] - [ -0.0001114900000000, 0.0006840900000000, -0.0001590400000000 ] - [ 0.0007968900000000, -0.0008359700000000, -0.0007428200000000 ] - [ 0.0007851400000000, -0.0010360500000000, 0.0001824500000000 ] - [ -0.0000068000000000, 0.0005060700000000, 0.0000598600000000 ] - [ -0.0000764300000000, -0.0001421600000000, -0.0000285900000000 ] - [ -0.0365656100000000, -0.0054303900000000, 0.0272370400000000 ] - [ 0.0000073100000000, -0.0001437400000000, -0.0002736900000000 ] - [ 0.0002058800000000, -0.0002441900000000, -0.0007637200000000 ] - [ -0.0018768600000000, -0.0008601700000000, 0.0024295400000000 ] - [ -0.0000950200000000, -0.0005802600000000, 0.0004655400000000 ] - [ 0.0003034900000000, 0.0001166900000000, -0.0002237200000000 ] - [ 0.0002277300000000, 0.0001875400000000, -0.0001274300000000 ] - [ 0.0004201600000000, 0.0007884200000000, -0.0022426200000000 ] - [ -0.0002097400000000, -0.0001828400000000, -0.0002037300000000 ] - [ 0.0017813200000000, 0.0024118200000000, -0.0015518300000000 ] - [ -0.0000721000000000, -0.0001526000000000, -0.0000282900000000 ] - [ 0.0002025800000000, -0.0007388500000000, 0.0000269500000000 ] - [ 0.0001574700000000, -0.0001589900000000, 0.0000777900000000 ] - [ -0.0001753700000000, 0.0005756800000000, 0.0006073500000000 ] - [ 0.0001378400000000, -0.0001913500000000, 0.0001349800000000 ] - [ 0.0001936800000000, 0.0001330800000000, 0.0001430200000000 ] - [ 0.0008404500000000, -0.0010195700000000, 0.0006474200000000 ] - [ 0.0003207600000000, -0.0006409700000000, -0.0012655300000000 ] - [ -0.0005868400000000, 0.0001838300000000, -0.0006175200000000 ] - [ 0.0001381900000000, -0.0001352400000000, 0.0003098100000000 ] - [ 0.0019329300000000, 0.0005297300000000, 0.0011257300000000 ] - [ -0.0000799300000000, -0.0002009800000000, 0.0000172200000000 ] - [ -0.0009602700000000, 0.0005188700000000, -0.0016826600000000 ] - [ -0.0000097400000000, 0.0000446600000000, -0.0002573600000000 ] - [ -0.0001542800000000, 0.0000782600000000, -0.0003729700000000 ] - [ -0.0005395400000000, -0.0004803000000000, -0.0001191700000000 ] - [ -0.0006919400000000, -0.0003769700000000, 0.0006241800000000 ] - [ 0.0182741400000000, -0.0185139200000000, -0.0539125800000000 ] - [ -0.0002376000000000, -0.0000340100000000, -0.0001903200000000 ] - [ -0.0002428400000000, -0.0000212600000000, 0.0001381300000000 ] - [ -0.0002584300000000, -0.0000195300000000, -0.0000615500000000 ] - [ -0.0011091400000000, -0.0001962600000000, -0.0002315000000000 ] - [ 0.0001779700000000, 0.0000221300000000, 0.0000500300000000 ] - [ 0.0009654800000000, -0.0008825800000000, 0.0019393100000000 ] - [ 0.0003219500000000, -0.0000397200000000, 0.0002032800000000 ] - [ 0.0003675300000000, -0.0000337200000000, 0.0004100600000000 ] - [ 0.0002425800000000, 0.0003875100000000, 0.0005459600000000 ] - [ -0.0000652900000000, 0.0002936900000000, 0.0000003600000000 ] - [ 0.0001995000000000, -0.0000746000000000, 0.0001058100000000 ] - [ -0.0047511300000000, -0.0002537800000000, 0.0023176900000000 ] - [ 0.0004297400000000, 0.0004186800000000, 0.0000377000000000 ] - [ -0.0001420200000000, -0.0000560800000000, 0.0010276300000000 ] - [ 0.0003866700000000, 0.0004267500000000, 0.0001711200000000 ] - [ -0.0009873400000000, -0.0005641100000000, -0.0008874900000000 ] - [ -0.0002251600000000, 0.0000806500000000, -0.0003720900000000 ] - [ 0.0001832600000000, 0.0001265700000000, 0.0002067100000000 ] - [ -0.0001141500000000, 0.0001516500000000, -0.0002418600000000 ] - [ -0.0001905800000000, 0.0000493900000000, -0.0001475000000000 ] - [ 0.0000184500000000, 0.0001180400000000, -0.0001463400000000 ] - [ -0.0001097200000000, 0.0001151000000000, -0.0000805400000000 ] - [ -0.0004017300000000, 0.0001946800000000, -0.0004941200000000 ] - [ -0.0005490500000000, -0.0004395000000000, 0.0001122300000000 ] - [ -0.0005591900000000, -0.0003705800000000, 0.0000988500000000 ] - [ 0.0000517900000000, 0.0017895100000000, -0.0011974700000000 ] - [ -0.0001504400000000, -0.0002061000000000, -0.0003528400000000 ] - [ -0.0001622900000000, 0.0001011700000000, -0.0003596200000000 ] - [ -0.0007595400000000, 0.0011352200000000, 0.0005799100000000 ] - [ -0.0007865900000000, 0.0006832900000000, 0.0002136900000000 ] - [ -0.0003999800000000, 0.0001511400000000, -0.0000956000000000 ] - [ 0.0004025800000000, -0.0002884000000000, 0.0001091800000000 ] - [ 0.0214722600000000, 0.0158378100000000, 0.0165474000000000 ] - [ 0.0002729700000000, -0.0002516800000000, 0.0002505100000000 ] - [ -0.0001200900000000, -0.0003922400000000, 0.0006793400000000 ] - [ -0.0003787000000000, -0.0006547400000000, 0.0000319600000000 ] - [ -0.0004653000000000, 0.0005167200000000, -0.0003128600000000 ] - [ -0.0007890000000000, 0.0010269200000000, -0.0003043000000000 ] - [ -0.0001314100000000, -0.0001405300000000, -0.0002658200000000 ] - [ 0.0001095400000000, -0.0000514000000000, 0.0003623600000000 ] - [ 0.0002051500000000, 0.0000556000000000, 0.0003990400000000 ] - [ 0.0008165500000000, 0.0005124100000000, 0.0000372600000000 ] - [ 0.0003705500000000, 0.0002237100000000, 0.0002969800000000 ] - [ 0.0080697100000000, 0.0029875600000000, -0.0023461800000000 ] - [ 0.0001888500000000, 0.0000849700000000, 0.0002721200000000 ] - [ 0.0001229600000000, 0.0000634300000000, 0.0004319000000000 ] - [ 0.0001367500000000, 0.0000993400000000, 0.0003335500000000 ] - [ -0.0003905800000000, -0.0001360200000000, -0.0002901600000000 ] - [ -0.0007356800000000, -0.0001824500000000, -0.0005759000000000 ] - [ 0.0000349400000000, 0.0001439000000000, 0.0003941800000000 ] - [ 0.0000278600000000, 0.0000313700000000, 0.0003897400000000 ] - [ 0.0002074200000000, 0.0001474400000000, -0.0004807000000000 ] - [ 0.0004117800000000, 0.0000200400000000, -0.0003133900000000 ] - [ 0.0002516500000000, -0.0001025500000000, 0.0002813800000000 ] - [ 0.0002366400000000, -0.0001547600000000, 0.0002687800000000 ] - [ 0.0002134600000000, 0.0001487300000000, 0.0002017600000000 ] - [ -0.0000408300000000, 0.0001949300000000, 0.0001281300000000 ] - [ 0.0002637900000000, 0.0001587600000000, 0.0001408100000000 ] - [ 0.0012254000000000, -0.0004484000000000, -0.0005429400000000 ] - [ 0.0006164800000000, 0.0005476800000000, -0.0000991500000000 ] - [ 0.0006030700000000, 0.0010126000000000, -0.0009104600000000 ] - [ 0.0002811800000000, 0.0003532200000000, 0.0002909300000000 ] - [ 0.0005271900000000, 0.0002412700000000, 0.0003519000000000 ] - [ 0.0002886900000000, 0.0003969200000000, -0.0005003100000000 ] - [ 0.0005332300000000, -0.0000734400000000, -0.0008657800000000 ] - [ -0.0002597800000000, -0.0000256300000000, -0.0002603900000000 ] - [ -0.0002779200000000, -0.0001436700000000, -0.0002447300000000 ] - [ -0.0002029300000000, 0.0001226000000000, -0.0001385000000000 ] - [ -0.0000788200000000, -0.0000900900000000, 0.0010206400000000 ] - [ -0.0002709800000000, 0.0001779500000000, -0.0001945300000000 ] - [ -0.0005862500000000, -0.0003710600000000, 0.0006009900000000 ] - [ -0.0003235300000000, -0.0002675300000000, -0.0001281400000000 ] - [ -0.0003174000000000, -0.0007943800000000, 0.0008192300000000 ] - [ -0.0003312800000000, -0.0002557100000000, -0.0002569000000000 ] - [ -0.0011473200000000, -0.0005301400000000, -0.0005292500000000 ] - [ -0.0003452400000000, 0.0004094200000000, -0.0000810800000000 ] - [ -0.0004488100000000, 0.0004249300000000, -0.0000959000000000 ] - [ 0.0003069200000000, 0.0000575400000000, -0.0002383700000000 ] - [ -0.0003960600000000, 0.0004370000000000, -0.0000876200000000 ] - [ 0.0002460800000000, -0.0004080700000000, 0.0000768700000000 ] - [ -0.0000358300000000, 0.0000191500000000, 0.0003032600000000 ] - [ 0.0004435800000000, 0.0007300900000000, 0.0012477000000000 ] - [ 0.0004942900000000, -0.0003333600000000, 0.0001865900000000 ] - [ -0.0002213300000000, 0.0000997600000000, -0.0003396600000000 ] - [ -0.0002230700000000, 0.0001878300000000, -0.0014092900000000 ] - [ -0.0002139400000000, 0.0001225300000000, -0.0003323000000000 ] - [ -0.0000604300000000, -0.0003429300000000, -0.0002573700000000 ] - [ 0.0002576500000000, 0.0000746900000000, 0.0003792100000000 ] - [ -0.0000180800000000, -0.0000900900000000, 0.0009848700000000 ] - [ 0.0001662200000000, 0.0001313500000000, 0.0002918600000000 ] - [ -0.0008162300000000, -0.0013749900000000, -0.0002222100000000 ] - [ 0.0000946000000000, 0.0000125000000000, 0.0002171400000000 ] - [ -0.0009982500000000, 0.0014412800000000, 0.0003312800000000 ] - [ 0.0000861600000000, 0.0003115100000000, 0.0004276200000000 ] - [ 0.0003872300000000, -0.0004050700000000, 0.0005710000000000 ]- atom: 49 displacement: [ 0.0063550541202937, 0.0000000000000000, -0.0077209641320329 ] forces: - [ -0.0006281700000000, -0.0001987000000000, 0.0003204500000000 ] - [ -0.0001210600000000, 0.0002881400000000, 0.0001537100000000 ] - [ 0.0038500800000000, -0.0014986200000000, -0.0088960300000000 ] - [ 0.0001300100000000, 0.0001684200000000, -0.0000712100000000 ] - [ -0.0005187300000000, 0.0002244200000000, -0.0011021500000000 ] - [ -0.0001450200000000, -0.0000272600000000, -0.0002333500000000 ] - [ 0.0002982100000000, -0.0001861800000000, 0.0005520200000000 ] - [ -0.0000067800000000, 0.0001292500000000, 0.0002150000000000 ] - [ 0.0002128700000000, 0.0000105300000000, 0.0000876200000000 ] - [ 0.0013733800000000, 0.0013780200000000, 0.0011355300000000 ] - [ -0.0001700100000000, 0.0002597000000000, -0.0000605900000000 ] - [ -0.0006014000000000, -0.0003905900000000, -0.0001532200000000 ] - [ 0.0000697700000000, 0.0000925400000000, -0.0002279300000000 ] - [ 0.0016794800000000, -0.0010069500000000, -0.0031891400000000 ] - [ -0.0000624600000000, 0.0002235600000000, 0.0002053000000000 ] - [ -0.0000930800000000, -0.0004686400000000, 0.0007431300000000 ] - [ 0.0002898900000000, -0.0007015200000000, 0.0004278700000000 ] - [ -0.0006202100000000, 0.0008206700000000, 0.0010131900000000 ] - [ -0.0006119000000000, 0.0010262200000000, 0.0000843500000000 ] - [ 0.0001889400000000, -0.0005275800000000, 0.0002097100000000 ] - [ -0.0001060500000000, 0.0001602000000000, -0.0002430200000000 ] - [ 0.0354689000000000, 0.0049882500000000, -0.0282964300000000 ] - [ -0.0001873700000000, 0.0001609500000000, 0.0000057800000000 ] - [ -0.0003825000000000, 0.0002651800000000, 0.0005055200000000 ] - [ 0.0020456100000000, 0.0008796300000000, -0.0021936500000000 ] - [ 0.0002724200000000, 0.0006053200000000, -0.0002056000000000 ] - [ -0.0001192400000000, -0.0000982300000000, 0.0004996400000000 ] - [ -0.0000438300000000, -0.0001694500000000, 0.0004007100000000 ] - [ -0.0006255800000000, -0.0008143600000000, 0.0019819100000000 ] - [ 0.0000266800000000, 0.0001639900000000, -0.0000657900000000 ] - [ -0.0019566000000000, -0.0024531000000000, 0.0012788100000000 ] - [ -0.0001087500000000, 0.0001365300000000, -0.0002428200000000 ] - [ 0.0000238800000000, 0.0007236400000000, 0.0002777900000000 ] - [ 0.0000251800000000, 0.0001393700000000, 0.0001924400000000 ] - [ 0.0003782200000000, -0.0005877400000000, -0.0003199600000000 ] - [ 0.0000431000000000, 0.0001742300000000, 0.0001349300000000 ] - [ -0.0003683800000000, -0.0001172000000000, -0.0004188400000000 ] - [ -0.0010173400000000, 0.0010307300000000, -0.0009183700000000 ] - [ -0.0005097300000000, 0.0006677100000000, 0.0010117800000000 ] - [ 0.0004070100000000, -0.0001659500000000, 0.0003516700000000 ] - [ 0.0000438100000000, 0.0001528700000000, -0.0000412100000000 ] - [ -0.0017413600000000, -0.0005049200000000, -0.0008684600000000 ] - [ 0.0002607100000000, 0.0002187100000000, 0.0002557000000000 ] - [ 0.0011433500000000, -0.0005091300000000, 0.0019771800000000 ] - [ -0.0001666100000000, -0.0000672500000000, -0.0000017000000000 ] - [ -0.0000217000000000, -0.0000900800000000, 0.0001062000000000 ] - [ 0.0003665800000000, 0.0004759100000000, -0.0001506200000000 ] - [ 0.0005019200000000, 0.0003512000000000, -0.0008926500000000 ] - [ -0.0178644000000000, 0.0185140900000000, 0.0545774600000000 ] - [ -0.0002465300000000, -0.0001349700000000, -0.0001009900000000 ] - [ -0.0002477600000000, -0.0001498700000000, -0.0004375900000000 ] - [ -0.0002273500000000, -0.0001496500000000, -0.0002318400000000 ] - [ 0.0015904900000000, 0.0000245300000000, 0.0005293800000000 ] - [ 0.0003073600000000, -0.0001911700000000, 0.0002436100000000 ] - [ -0.0004851100000000, 0.0007214200000000, -0.0016655200000000 ] - [ 0.0001623500000000, -0.0001292900000000, 0.0000880500000000 ] - [ 0.0001191300000000, 0.0002038200000000, -0.0001187500000000 ] - [ 0.0002437700000000, -0.0002197900000000, -0.0002543300000000 ] - [ 0.0005535300000000, -0.0001245700000000, 0.0002982200000000 ] - [ 0.0002839600000000, 0.0002445400000000, 0.0001870100000000 ] - [ 0.0055946600000000, 0.0009455700000000, -0.0020588600000000 ] - [ 0.0003181600000000, 0.0002748600000000, 0.0002449800000000 ] - [ 0.0008968500000000, 0.0007513100000000, -0.0007523700000000 ] - [ 0.0003621200000000, 0.0002674900000000, 0.0001100100000000 ] - [ 0.0006046200000000, 0.0005493600000000, 0.0002449000000000 ] - [ -0.0001565500000000, -0.0000917600000000, -0.0002751700000000 ] - [ -0.0005648500000000, -0.0001378700000000, -0.0008618200000000 ] - [ -0.0002665700000000, -0.0001622900000000, -0.0004066400000000 ] - [ -0.0003026900000000, 0.0001275600000000, -0.0001527100000000 ] - [ -0.0005072600000000, 0.0000488700000000, -0.0001479200000000 ] - [ -0.0003810400000000, 0.0000523700000000, -0.0002167100000000 ] - [ -0.0000827000000000, -0.0000235100000000, 0.0001995000000000 ] - [ -0.0001995300000000, -0.0002537400000000, -0.0003971000000000 ] - [ -0.0001894600000000, -0.0003234000000000, -0.0003821000000000 ] - [ -0.0007966800000000, -0.0025018500000000, 0.0009298900000000 ] - [ -0.0006009600000000, -0.0004907500000000, 0.0000760800000000 ] - [ -0.0005849000000000, 0.0005941600000000, 0.0000781600000000 ] - [ 0.0000168800000000, -0.0004408800000000, -0.0008605400000000 ] - [ 0.0000418600000000, 0.0000089200000000, -0.0004987400000000 ] - [ -0.0003502500000000, 0.0005454100000000, -0.0001860600000000 ] - [ 0.0003460200000000, -0.0004060900000000, 0.0001734600000000 ] - [ -0.0205675100000000, -0.0162605700000000, -0.0159229400000000 ] - [ 0.0004756500000000, -0.0004439800000000, 0.0000300000000000 ] - [ 0.0008716700000000, -0.0003032800000000, -0.0004047400000000 ] - [ -0.0000032000000000, 0.0006643300000000, -0.0006775400000000 ] - [ 0.0000867800000000, -0.0005091900000000, -0.0003330400000000 ] - [ 0.0004136500000000, -0.0010254500000000, -0.0003423800000000 ] - [ -0.0002503800000000, 0.0001525100000000, -0.0003822500000000 ] - [ 0.0002683900000000, 0.0000628700000000, 0.0002824800000000 ] - [ 0.0001738600000000, -0.0000470500000000, 0.0002475800000000 ] - [ -0.0004425400000000, -0.0005197300000000, 0.0006090900000000 ] - [ 0.0000130900000000, -0.0002104200000000, 0.0003527900000000 ] - [ -0.0077245200000000, -0.0029341500000000, 0.0029167100000000 ] - [ 0.0001921900000000, -0.0000969300000000, 0.0003757900000000 ] - [ 0.0002551100000000, -0.0000736100000000, 0.0002114800000000 ] - [ 0.0002439600000000, -0.0001107100000000, 0.0003141000000000 ] - [ -0.0000977200000000, -0.0000310700000000, 0.0000006300000000 ] - [ 0.0002492400000000, 0.0000142600000000, 0.0002845500000000 ] - [ -0.0005223500000000, -0.0003157300000000, -0.0006946400000000 ] - [ -0.0005141800000000, -0.0002020600000000, -0.0006865900000000 ] - [ 0.0002870800000000, -0.0003106300000000, 0.0007858000000000 ] - [ 0.0000772900000000, -0.0001982900000000, 0.0006122600000000 ] - [ 0.0002310700000000, -0.0000663200000000, 0.0000087200000000 ] - [ 0.0002461600000000, -0.0000131200000000, 0.0000210600000000 ] - [ 0.0002709500000000, 0.0000207600000000, 0.0000903200000000 ] - [ 0.0005076800000000, -0.0000311100000000, 0.0001521200000000 ] - [ 0.0002212800000000, 0.0000097000000000, 0.0001520900000000 ] - [ -0.0007658300000000, 0.0006166300000000, 0.0008201600000000 ] - [ 0.0001256000000000, 0.0001406300000000, 0.0003874900000000 ] - [ 0.0001484300000000, -0.0003115400000000, 0.0011857100000000 ] - [ 0.0004708400000000, 0.0003440600000000, -0.0000164700000000 ] - [ 0.0002192300000000, 0.0004506100000000, -0.0000716600000000 ] - [ -0.0006680200000000, -0.0004062300000000, -0.0001418600000000 ] - [ -0.0009105000000000, 0.0000528700000000, 0.0002247300000000 ] - [ -0.0001225300000000, 0.0000148400000000, -0.0003890400000000 ] - [ -0.0001042300000000, 0.0001321200000000, -0.0004043300000000 ] - [ -0.0002825100000000, 0.0000465900000000, -0.0001543700000000 ] - [ -0.0003985600000000, 0.0002590400000000, -0.0013071300000000 ] - [ -0.0002136100000000, -0.0000096500000000, -0.0000973400000000 ] - [ 0.0001008800000000, 0.0005412200000000, -0.0008978500000000 ] - [ -0.0004246500000000, -0.0004259500000000, -0.0001553600000000 ] - [ -0.0004246100000000, 0.0001038200000000, -0.0011178500000000 ] - [ -0.0004189400000000, -0.0004392000000000, -0.0000228600000000 ] - [ 0.0003910800000000, -0.0001662200000000, 0.0002524900000000 ] - [ -0.0004251400000000, 0.0002865300000000, -0.0001993000000000 ] - [ -0.0003004300000000, 0.0002701300000000, -0.0001858200000000 ] - [ -0.0010588000000000, 0.0006348200000000, -0.0000536900000000 ] - [ -0.0003523500000000, 0.0002578900000000, -0.0001948100000000 ] - [ 0.0004974700000000, -0.0002854000000000, 0.0002079400000000 ] - [ 0.0007801900000000, -0.0007114300000000, -0.0000184700000000 ] - [ 0.0003071700000000, -0.0014383900000000, -0.0009810400000000 ] - [ 0.0002547700000000, -0.0003621400000000, 0.0000934100000000 ] - [ -0.0001600400000000, -0.0000881000000000, -0.0003069700000000 ] - [ -0.0001713300000000, -0.0001758000000000, 0.0007409300000000 ] - [ -0.0001673200000000, -0.0001139900000000, -0.0003145200000000 ] - [ -0.0003326600000000, 0.0003628800000000, -0.0003996700000000 ] - [ 0.0001233100000000, -0.0000644900000000, 0.0002668900000000 ] - [ 0.0004041700000000, 0.0001035600000000, -0.0003418100000000 ] - [ 0.0002141100000000, -0.0001209600000000, 0.0003568700000000 ] - [ 0.0012023400000000, 0.0013982500000000, 0.0008800000000000 ] - [ 0.0002840900000000, -0.0000205500000000, 0.0004303400000000 ] - [ 0.0013723300000000, -0.0014441400000000, 0.0003202800000000 ] - [ 0.0002970800000000, -0.0003258500000000, 0.0002181300000000 ] - [ -0.0000070100000000, 0.0003972800000000, 0.0000732600000000 ]- atom: 61 displacement: [ 0.0099999999946580, 0.0000000000000000, -0.0000003268642978 ] forces: - [ -0.0000472700000000, 0.0004806900000000, -0.0001365400000000 ] - [ -0.0000682400000000, -0.0002921300000000, 0.0000276300000000 ] - [ -0.0019334400000000, -0.0004314200000000, -0.0045163600000000 ] - [ 0.0001775700000000, -0.0004124600000000, -0.0002343100000000 ] - [ 0.0061492400000000, -0.0043722900000000, 0.0025417300000000 ] - [ 0.0005128200000000, -0.0006916200000000, -0.0005421200000000 ] - [ -0.0007374200000000, 0.0003129000000000, 0.0000311000000000 ] - [ -0.0001850000000000, -0.0003171600000000, 0.0001885100000000 ] - [ 0.0000263000000000, -0.0004415000000000, 0.0004401100000000 ] - [ 0.0003683700000000, 0.0010305100000000, 0.0008595700000000 ] - [ -0.0001572200000000, 0.0001224800000000, -0.0000279600000000 ] - [ -0.0031481500000000, -0.0023110200000000, 0.0011734400000000 ] - [ -0.0004758500000000, -0.0005252400000000, 0.0001849900000000 ] - [ -0.0028436900000000, 0.0007792900000000, -0.0003170800000000 ] - [ 0.0001780100000000, -0.0003488900000000, -0.0000339600000000 ] - [ 0.0008587100000000, -0.0002841700000000, 0.0020713000000000 ] - [ -0.0003623000000000, 0.0002259100000000, 0.0003736700000000 ] - [ -0.0005484700000000, 0.0003390400000000, 0.0004042300000000 ] - [ 0.0019800200000000, -0.0014583000000000, 0.0003365200000000 ] - [ 0.0019005400000000, -0.0018972700000000, 0.0007337200000000 ] - [ 0.0001726600000000, -0.0005025200000000, -0.0001200000000000 ] - [ -0.0028291600000000, 0.0007265200000000, 0.0072638500000000 ] - [ -0.0000637300000000, -0.0002218100000000, -0.0001527400000000 ] - [ -0.0020187500000000, 0.0027648400000000, 0.0022709800000000 ] - [ -0.0017975800000000, -0.0022406900000000, 0.0025805500000000 ] - [ 0.0004132300000000, 0.0009353200000000, -0.0002827600000000 ] - [ 0.0003067000000000, 0.0004063700000000, 0.0002476300000000 ] - [ 0.0000351400000000, -0.0006008200000000, 0.0008522200000000 ] - [ -0.0013565300000000, -0.0004357800000000, 0.0011088500000000 ] - [ -0.0002620100000000, -0.0002686900000000, 0.0000158000000000 ] - [ 0.1278533000000000, 0.0431313100000000, -0.1063800500000000 ] - [ -0.0000953400000000, -0.0004514600000000, -0.0001688500000000 ] - [ 0.0019685000000000, -0.0003285800000000, 0.0010341400000000 ] - [ 0.0003846800000000, -0.0003315400000000, 0.0001361100000000 ] - [ -0.0028603000000000, 0.0012181500000000, 0.0000147100000000 ] - [ 0.0000128500000000, -0.0002958700000000, -0.0000372000000000 ] - [ -0.0003989100000000, 0.0006567800000000, -0.0002836800000000 ] - [ -0.0007227500000000, -0.0003023200000000, -0.0011645700000000 ] - [ 0.0005176200000000, -0.0005563700000000, -0.0010247300000000 ] - [ 0.0005406500000000, -0.0002060600000000, 0.0002691500000000 ] - [ -0.0000914800000000, -0.0002990100000000, 0.0001197100000000 ] - [ -0.0038152700000000, -0.0021400000000000, -0.0037982700000000 ] - [ 0.0000145500000000, -0.0002977800000000, 0.0002531600000000 ] - [ 0.0000761400000000, 0.0003307400000000, 0.0001264400000000 ] - [ 0.0003403600000000, 0.0001387900000000, 0.0001836900000000 ] - [ 0.0002354900000000, 0.0000156100000000, 0.0000699200000000 ] - [ -0.0014358500000000, -0.0008629000000000, -0.0007972600000000 ] - [ -0.0008301000000000, -0.0000768100000000, -0.0004968900000000 ] - [ 0.0039158500000000, -0.0008200800000000, -0.0033799100000000 ] - [ -0.0002729900000000, 0.0000923600000000, -0.0000970100000000 ] - [ -0.0007851000000000, -0.0006957600000000, -0.0012627100000000 ] - [ -0.0002567800000000, 0.0000170400000000, -0.0001400900000000 ] - [ 0.0022585500000000, -0.0003723900000000, 0.0018581200000000 ] - [ 0.0003673200000000, 0.0000281200000000, 0.0001514000000000 ] - [ -0.0002222900000000, -0.0005416200000000, 0.0006399700000000 ] - [ 0.0001791900000000, 0.0000699500000000, 0.0000639500000000 ] - [ 0.0003719600000000, 0.0000839100000000, 0.0000250000000000 ] - [ 0.0003790600000000, 0.0000042600000000, 0.0000181900000000 ] - [ -0.0007748800000000, -0.0008381800000000, -0.0001360100000000 ] - [ -0.0003018700000000, 0.0009718900000000, -0.0000121500000000 ] - [ -0.1212256200000000, -0.0519597800000000, 0.0971762800000000 ] - [ 0.0003336600000000, 0.0005566200000000, 0.0001458600000000 ] - [ 0.0011275600000000, 0.0003308300000000, -0.0005850900000000 ] - [ 0.0005192400000000, 0.0004825800000000, -0.0000200100000000 ] - [ 0.0049069000000000, 0.0007165000000000, 0.0024436000000000 ] - [ -0.0001166300000000, 0.0003071400000000, -0.0002535500000000 ] - [ -0.0002540600000000, -0.0002025400000000, -0.0005009100000000 ] - [ -0.0001528700000000, 0.0001515900000000, -0.0003419300000000 ] - [ -0.0005893900000000, 0.0002041500000000, -0.0003473000000000 ] - [ -0.0005151400000000, 0.0000912700000000, -0.0002137700000000 ] - [ 0.0004254800000000, -0.0000529100000000, 0.0002437300000000 ] - [ 0.0004690700000000, 0.0002555300000000, -0.0000868500000000 ] - [ -0.0003106000000000, -0.0005217000000000, -0.0001980200000000 ] - [ -0.0000967800000000, -0.0001040700000000, -0.0005577600000000 ] - [ 0.0019513300000000, 0.0031190800000000, -0.0022040000000000 ] - [ -0.0008850500000000, -0.0005123200000000, 0.0004244500000000 ] - [ 0.0000339200000000, 0.0003871100000000, -0.0005391000000000 ] - [ 0.0000325200000000, 0.0000541800000000, -0.0004061300000000 ] - [ -0.0008870000000000, 0.0005658500000000, 0.0000189500000000 ] - [ -0.0008869200000000, 0.0009591800000000, -0.0004374600000000 ] - [ 0.0003036200000000, -0.0001216400000000, 0.0001731800000000 ] - [ 0.0032531900000000, -0.0009783700000000, -0.0031015000000000 ] - [ 0.0003032800000000, -0.0002331600000000, 0.0002152500000000 ] - [ 0.0032766800000000, -0.0002184400000000, -0.0038748900000000 ] - [ 0.0001066000000000, -0.0002230700000000, -0.0003059100000000 ] - [ 0.0000802200000000, -0.0001544900000000, -0.0002354400000000 ] - [ -0.0013362800000000, 0.0013071100000000, 0.0002994200000000 ] - [ -0.0006820300000000, 0.0008569200000000, -0.0006146400000000 ] - [ -0.0000410200000000, -0.0002927300000000, 0.0001719900000000 ] - [ 0.0000846800000000, 0.0000353900000000, 0.0002286800000000 ] - [ 0.0011523000000000, 0.0009633200000000, 0.0005860100000000 ] - [ 0.0004653100000000, 0.0002783800000000, 0.0005321500000000 ] - [ 0.0004986100000000, 0.0011125100000000, -0.0026224000000000 ] - [ 0.0000440000000000, 0.0002195600000000, 0.0002813500000000 ] - [ 0.0011053900000000, -0.0012695900000000, 0.0004779400000000 ] - [ 0.0001983700000000, 0.0002096500000000, 0.0002944900000000 ] - [ -0.0004533300000000, -0.0001934800000000, -0.0000203800000000 ] - [ 0.0004111800000000, 0.0005702700000000, 0.0007119900000000 ] - [ -0.0000508400000000, 0.0000859100000000, 0.0002104100000000 ] - [ -0.0005400200000000, -0.0001914400000000, -0.0005117800000000 ] - [ -0.0003088100000000, 0.0006139500000000, -0.0008140900000000 ] - [ 0.0001157900000000, -0.0004922300000000, 0.0003127800000000 ] - [ 0.0002453200000000, -0.0002020900000000, 0.0001153900000000 ] - [ 0.0002136800000000, 0.0003022200000000, -0.0004150600000000 ] - [ 0.0001498600000000, 0.0001581900000000, 0.0001338500000000 ] - [ -0.0004357600000000, -0.0001007000000000, -0.0003453700000000 ] - [ 0.0003499600000000, 0.0002825700000000, 0.0002895600000000 ] - [ 0.0018793400000000, -0.0002065200000000, 0.0004995400000000 ] - [ 0.0009000700000000, 0.0005755600000000, -0.0000497800000000 ] - [ 0.0009021500000000, 0.0003459600000000, 0.0002382900000000 ] - [ 0.0002325800000000, 0.0003894800000000, 0.0001457500000000 ] - [ 0.0002315700000000, 0.0003982200000000, -0.0000915200000000 ] - [ 0.0009356100000000, 0.0016841000000000, -0.0003277200000000 ] - [ -0.0000691000000000, -0.0009098600000000, -0.0002811400000000 ] - [ -0.0002643700000000, -0.0000856600000000, -0.0003780000000000 ] - [ -0.0002027700000000, 0.0002361800000000, -0.0005420400000000 ] - [ -0.0001920900000000, 0.0001808900000000, -0.0002339600000000 ] - [ 0.0003039700000000, 0.0000814100000000, -0.0003341100000000 ] - [ -0.0002976600000000, 0.0002731300000000, -0.0001534100000000 ] - [ -0.0212350300000000, -0.0008192600000000, 0.0099575100000000 ] - [ -0.0003236500000000, -0.0001735800000000, -0.0002705500000000 ] - [ -0.0005866000000000, -0.0005394500000000, -0.0001743800000000 ] - [ -0.0002192100000000, -0.0002146700000000, -0.0002300800000000 ] - [ 0.0013021500000000, 0.0000213300000000, -0.0002126300000000 ] - [ -0.0013637000000000, 0.0002160900000000, 0.0003644400000000 ] - [ -0.0005247000000000, 0.0005231000000000, 0.0000109100000000 ] - [ 0.0014165100000000, -0.0001722900000000, -0.0000431100000000 ] - [ -0.0004243400000000, 0.0005077800000000, -0.0000306900000000 ] - [ 0.0001820200000000, -0.0005875600000000, 0.0001109600000000 ] - [ 0.0002281900000000, -0.0000843000000000, 0.0005857600000000 ] - [ 0.0001877500000000, 0.0005228900000000, 0.0012434300000000 ] - [ 0.0002290000000000, -0.0002486700000000, 0.0001568900000000 ] - [ -0.0003447700000000, 0.0002826000000000, -0.0004085500000000 ] - [ -0.0011449100000000, 0.0002030300000000, -0.0010030900000000 ] - [ -0.0001422400000000, 0.0001382800000000, -0.0002960300000000 ] - [ 0.0010102200000000, -0.0011065100000000, 0.0000622000000000 ] - [ 0.0002832600000000, 0.0002093100000000, 0.0003154300000000 ] - [ 0.0005221300000000, 0.0000845200000000, 0.0000826800000000 ] - [ 0.0001659300000000, 0.0001918700000000, 0.0003731500000000 ] - [ 0.0025545700000000, 0.0131681400000000, 0.0004556900000000 ] - [ 0.0003086700000000, -0.0001347800000000, 0.0003793700000000 ] - [ 0.0006246600000000, -0.0001744800000000, 0.0005852400000000 ] - [ -0.0000262400000000, 0.0003571300000000, 0.0003667700000000 ] - [ -0.0002252400000000, 0.0003015100000000, 0.0000659100000000 ]- atom: 61 displacement: [ -0.0099999999946580, 0.0000000000000000, 0.0000003268642978 ] forces: - [ 0.0000524500000000, -0.0004158600000000, 0.0001373400000000 ] - [ 0.0000687700000000, 0.0003530200000000, -0.0000276400000000 ] - [ 0.0017317200000000, 0.0004819600000000, 0.0043929500000000 ] - [ -0.0001793200000000, 0.0004741300000000, 0.0002357900000000 ] - [ -0.0062025400000000, 0.0042587200000000, -0.0024721500000000 ] - [ -0.0005141800000000, 0.0006294400000000, 0.0005429900000000 ] - [ 0.0007411100000000, -0.0003714500000000, -0.0000285200000000 ] - [ 0.0001859500000000, 0.0002529200000000, -0.0001888300000000 ] - [ -0.0000292900000000, 0.0005044700000000, -0.0004393100000000 ] - [ -0.0003732300000000, -0.0009742700000000, -0.0008638500000000 ] - [ 0.0001654800000000, -0.0000626900000000, 0.0000260600000000 ] - [ 0.0031502500000000, 0.0023739100000000, -0.0011723400000000 ] - [ 0.0004773700000000, 0.0004640700000000, -0.0001863200000000 ] - [ 0.0028536900000000, -0.0008477000000000, 0.0003170900000000 ] - [ -0.0001787800000000, 0.0002847900000000, 0.0000330600000000 ] - [ -0.0008601200000000, 0.0002251700000000, -0.0020870000000000 ] - [ 0.0005444500000000, -0.0002419300000000, -0.0001051100000000 ] - [ 0.0007322900000000, -0.0003602900000000, -0.0001383600000000 ] - [ -0.0018131900000000, 0.0014206500000000, -0.0000905200000000 ] - [ -0.0017211700000000, 0.0018860300000000, -0.0004593400000000 ] - [ -0.0003550600000000, 0.0005197600000000, -0.0001471500000000 ] - [ 0.0027288200000000, -0.0006915600000000, -0.0075699600000000 ] - [ -0.0001137100000000, 0.0002363800000000, -0.0001153300000000 ] - [ 0.0018462100000000, -0.0027487400000000, -0.0025398200000000 ] - [ 0.0019734100000000, 0.0022606200000000, -0.0023162800000000 ] - [ -0.0002370700000000, -0.0009232900000000, 0.0005512900000000 ] - [ -0.0001205600000000, -0.0003859700000000, 0.0000175400000000 ] - [ 0.0001472100000000, 0.0006205800000000, -0.0005853300000000 ] - [ 0.0011850300000000, 0.0004227000000000, -0.0013874000000000 ] - [ 0.0000805500000000, 0.0002494500000000, -0.0002834800000000 ] - [ -0.1257619500000000, -0.0409428400000000, 0.1019761000000000 ] - [ -0.0000863500000000, 0.0004325200000000, -0.0000985700000000 ] - [ -0.0018097700000000, 0.0003185600000000, -0.0007575400000000 ] - [ -0.0002034700000000, 0.0003120100000000, 0.0001315800000000 ] - [ 0.0030571100000000, -0.0012439700000000, 0.0002519900000000 ] - [ 0.0001682100000000, 0.0002770100000000, 0.0003050700000000 ] - [ 0.0002289700000000, -0.0006402500000000, 0.0000169600000000 ] - [ 0.0005462800000000, 0.0003188300000000, 0.0008988300000000 ] - [ -0.0007130000000000, 0.0005828900000000, 0.0007651800000000 ] - [ -0.0007245700000000, 0.0002255800000000, -0.0005397500000000 ] - [ 0.0002723300000000, 0.0003146100000000, 0.0001499800000000 ] - [ 0.0040168900000000, 0.0021457100000000, 0.0040654800000000 ] - [ 0.0001646200000000, 0.0003141700000000, 0.0000157300000000 ] - [ 0.0001026300000000, -0.0003180600000000, 0.0001458200000000 ] - [ -0.0005154800000000, -0.0001586000000000, -0.0004446800000000 ] - [ -0.0004161700000000, -0.0000316800000000, -0.0003389600000000 ] - [ 0.0012633100000000, 0.0008567100000000, 0.0005314300000000 ] - [ 0.0006501600000000, 0.0000566300000000, 0.0002310700000000 ] - [ -0.0044709900000000, 0.0006387300000000, 0.0031151500000000 ] - [ -0.0002135500000000, -0.0002607300000000, -0.0001938800000000 ] - [ 0.0002927700000000, 0.0005268700000000, 0.0009690400000000 ] - [ -0.0002303700000000, -0.0001849800000000, -0.0001505400000000 ] - [ -0.0017694700000000, 0.0002058000000000, -0.0015594200000000 ] - [ 0.0001198600000000, -0.0001961200000000, 0.0001406900000000 ] - [ 0.0007143100000000, 0.0003763900000000, -0.0003567100000000 ] - [ 0.0003081700000000, -0.0002386100000000, 0.0002277000000000 ] - [ 0.0001133100000000, 0.0000835200000000, 0.0002658200000000 ] - [ 0.0001071000000000, 0.0001654200000000, 0.0002740100000000 ] - [ 0.0012630300000000, 0.0010287600000000, 0.0004435900000000 ] - [ 0.0007870500000000, -0.0008018000000000, 0.0003019800000000 ] - [ 0.1201067000000000, 0.0504016300000000, -0.0928687700000000 ] - [ 0.0004181700000000, 0.0001401600000000, 0.0001307000000000 ] - [ -0.0003818500000000, 0.0003637800000000, 0.0008671900000000 ] - [ 0.0002300800000000, 0.0002127400000000, 0.0002993800000000 ] - [ -0.0052185600000000, -0.0007347300000000, -0.0030751900000000 ] - [ -0.0002647700000000, -0.0003231200000000, -0.0003979300000000 ] - [ -0.0001255400000000, 0.0001868900000000, -0.0001504400000000 ] - [ -0.0002273700000000, -0.0001669600000000, -0.0003092500000000 ] - [ 0.0001012900000000, -0.0000327800000000, 0.0000442100000000 ] - [ 0.0000282200000000, 0.0000778700000000, -0.0000774600000000 ] - [ -0.0009157900000000, 0.0002202200000000, -0.0005359000000000 ] - [ -0.0009577100000000, -0.0000855700000000, -0.0002052100000000 ] - [ -0.0004412800000000, -0.0001743300000000, -0.0000799200000000 ] - [ -0.0006544600000000, -0.0005913100000000, 0.0002800100000000 ] - [ -0.0026987300000000, -0.0038364100000000, 0.0019248400000000 ] - [ 0.0001373800000000, -0.0001818500000000, -0.0007055700000000 ] - [ -0.0007839000000000, 0.0003081900000000, 0.0002602800000000 ] - [ -0.0007852300000000, 0.0006452200000000, 0.0001306300000000 ] - [ 0.0001348000000000, 0.0001346200000000, -0.0002891600000000 ] - [ 0.0001351600000000, -0.0002673500000000, 0.0001575500000000 ] - [ 0.0004462300000000, -0.0005743500000000, 0.0001060300000000 ] - [ -0.0025430800000000, 0.0002821100000000, 0.0034115500000000 ] - [ 0.0004460600000000, -0.0004625800000000, 0.0000633600000000 ] - [ -0.0025188700000000, -0.0004711900000000, 0.0041402600000000 ] - [ -0.0004893500000000, 0.0002381500000000, -0.0003449400000000 ] - [ -0.0004620000000000, 0.0001710500000000, -0.0004140000000000 ] - [ 0.0009684700000000, -0.0012835700000000, -0.0009367000000000 ] - [ 0.0003013300000000, -0.0008410200000000, -0.0000374800000000 ] - [ 0.0004200700000000, 0.0003084300000000, 0.0004791300000000 ] - [ 0.0002955600000000, -0.0000189700000000, 0.0004232000000000 ] - [ -0.0007780100000000, -0.0009584500000000, 0.0000664800000000 ] - [ -0.0000854700000000, -0.0002620700000000, 0.0001188400000000 ] - [ -0.0001228200000000, -0.0011490600000000, 0.0033329300000000 ] - [ 0.0003370600000000, -0.0002352200000000, 0.0003697700000000 ] - [ -0.0007266900000000, 0.0012540900000000, 0.0001727300000000 ] - [ 0.0001818600000000, -0.0002265000000000, 0.0003582300000000 ] - [ -0.0000409200000000, 0.0000257000000000, -0.0002708900000000 ] - [ -0.0009007500000000, -0.0007402300000000, -0.0010048400000000 ] - [ -0.0004359600000000, -0.0002568200000000, -0.0005063200000000 ] - [ 0.0000548200000000, 0.0000232600000000, 0.0002223000000000 ] - [ 0.0008042500000000, -0.0007842100000000, 0.0011091500000000 ] - [ 0.0003736900000000, 0.0003253000000000, -0.0000214600000000 ] - [ 0.0002399900000000, 0.0000325800000000, 0.0001770400000000 ] - [ 0.0002725100000000, -0.0004709700000000, 0.0007072500000000 ] - [ 0.0003372400000000, 0.0000114900000000, 0.0001584200000000 ] - [ 0.0009265300000000, 0.0002697300000000, 0.0006385300000000 ] - [ 0.0001372200000000, -0.0001136900000000, 0.0000024300000000 ] - [ -0.0014018200000000, 0.0003779500000000, -0.0002077500000000 ] - [ -0.0001545000000000, 0.0001171600000000, 0.0003309900000000 ] - [ -0.0001525500000000, 0.0003510900000000, 0.0000391600000000 ] - [ 0.0005195300000000, 0.0003076200000000, 0.0001289100000000 ] - [ 0.0005184500000000, 0.0002946800000000, 0.0003736400000000 ] - [ -0.0013201600000000, -0.0017066600000000, -0.0003217200000000 ] - [ -0.0003107100000000, 0.0008991700000000, -0.0003695200000000 ] - [ -0.0001170200000000, 0.0000701600000000, -0.0002717500000000 ] - [ -0.0001795900000000, -0.0002538000000000, -0.0001084900000000 ] - [ -0.0002963100000000, -0.0000113200000000, -0.0000586500000000 ] - [ -0.0007950900000000, 0.0000867000000000, 0.0000444900000000 ] - [ -0.0001883900000000, -0.0001038100000000, -0.0001375500000000 ] - [ 0.0205040200000000, 0.0009698500000000, -0.0101358000000000 ] - [ -0.0004257400000000, -0.0005214000000000, -0.0000081300000000 ] - [ -0.0001592600000000, -0.0001539600000000, -0.0001066300000000 ] - [ -0.0005323900000000, -0.0004802900000000, -0.0000472700000000 ] - [ -0.0020580300000000, -0.0007131500000000, -0.0000666700000000 ] - [ 0.0006174700000000, 0.0004756800000000, -0.0006589900000000 ] - [ -0.0002250900000000, 0.0001736100000000, -0.0002899300000000 ] - [ -0.0021830300000000, 0.0008726600000000, -0.0002397900000000 ] - [ -0.0003262000000000, 0.0001888500000000, -0.0002476600000000 ] - [ 0.0005623400000000, -0.0001091300000000, 0.0001656700000000 ] - [ 0.0005207900000000, -0.0006114600000000, -0.0003070200000000 ] - [ 0.0005681100000000, -0.0012316900000000, -0.0009781000000000 ] - [ 0.0005216300000000, -0.0004479700000000, 0.0001214800000000 ] - [ -0.0000351600000000, -0.0002670800000000, -0.0002407000000000 ] - [ 0.0007724600000000, -0.0001920500000000, 0.0003537000000000 ] - [ -0.0002395500000000, -0.0001227000000000, -0.0003538600000000 ] - [ -0.0013964800000000, 0.0011290700000000, -0.0007142600000000 ] - [ 0.0000970100000000, -0.0001951100000000, 0.0003338200000000 ] - [ -0.0001430600000000, -0.0000691300000000, 0.0005705900000000 ] - [ 0.0002149100000000, -0.0001714300000000, 0.0002798000000000 ] - [ -0.0021241000000000, -0.0129855000000000, 0.0001663900000000 ] - [ 0.0000684800000000, 0.0001225000000000, 0.0002700600000000 ] - [ -0.0002454900000000, 0.0001589600000000, 0.0000662500000000 ] - [ 0.0004129500000000, -0.0003772100000000, 0.0002863600000000 ] - [ 0.0006085200000000, -0.0003187900000000, 0.0005847200000000 ]- atom: 61 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001696400000000, 0.0008258200000000, 0.0002396900000000 ] - [ -0.0000025600000000, -0.0005520800000000, 0.0000407200000000 ] - [ -0.0004930300000000, 0.0037318200000000, -0.0013812300000000 ] - [ 0.0001205900000000, -0.0008418400000000, -0.0001232900000000 ] - [ -0.0016312700000000, 0.0059942000000000, -0.0008907700000000 ] - [ 0.0000386800000000, -0.0010946600000000, -0.0004751100000000 ] - [ -0.0001052700000000, 0.0005661800000000, -0.0000279000000000 ] - [ -0.0000123100000000, -0.0005616700000000, 0.0001423400000000 ] - [ -0.0002495900000000, -0.0004416000000000, 0.0004643100000000 ] - [ 0.0001026600000000, 0.0002115800000000, 0.0000612100000000 ] - [ 0.0007698300000000, -0.0006660400000000, -0.0002564300000000 ] - [ -0.0026698800000000, -0.0013229200000000, 0.0011336700000000 ] - [ -0.0002242700000000, -0.0006939000000000, 0.0000974800000000 ] - [ -0.0002596500000000, 0.0004469300000000, -0.0001539700000000 ] - [ -0.0000359400000000, -0.0008110900000000, -0.0001961800000000 ] - [ -0.0001564400000000, -0.0002995800000000, 0.0026410800000000 ] - [ 0.0001126800000000, 0.0002572500000000, 0.0004862500000000 ] - [ -0.0000214400000000, -0.0001188600000000, 0.0001166700000000 ] - [ -0.0011900000000000, -0.0029533900000000, -0.0032014900000000 ] - [ 0.0012185600000000, -0.0022240300000000, 0.0006968400000000 ] - [ 0.0001114000000000, -0.0007632400000000, -0.0001531300000000 ] - [ -0.0026914100000000, 0.0057734800000000, 0.0022915900000000 ] - [ 0.0001659000000000, -0.0005352800000000, -0.0003109700000000 ] - [ -0.0007701800000000, 0.0011020300000000, 0.0003187800000000 ] - [ -0.0017276400000000, -0.0011757300000000, 0.0018208000000000 ] - [ 0.0002503200000000, -0.0003894600000000, -0.0001611900000000 ] - [ 0.0006183400000000, 0.0003594800000000, -0.0001574400000000 ] - [ -0.0001416500000000, -0.0005552400000000, 0.0006557500000000 ] - [ 0.0000618500000000, 0.0003210500000000, -0.0000314700000000 ] - [ -0.0002500700000000, -0.0004235400000000, 0.0000283100000000 ] - [ 0.0348680200000000, 0.0612120500000000, -0.0468615200000000 ] - [ -0.0004503200000000, -0.0010073900000000, -0.0001145700000000 ] - [ -0.0001915400000000, 0.0013088800000000, 0.0010226900000000 ] - [ 0.0003870400000000, -0.0006135900000000, 0.0000917900000000 ] - [ -0.0006845800000000, 0.0008343100000000, 0.0001132900000000 ] - [ 0.0002517300000000, -0.0005458200000000, -0.0000114000000000 ] - [ 0.0009529100000000, -0.0000505600000000, 0.0001921800000000 ] - [ -0.0005107500000000, -0.0002610500000000, -0.0009242900000000 ] - [ -0.0008383200000000, 0.0002174900000000, -0.0006044500000000 ] - [ 0.0006426400000000, -0.0006201500000000, 0.0002777400000000 ] - [ -0.0000970900000000, -0.0006486200000000, 0.0002011900000000 ] - [ -0.0008603300000000, 0.0036912100000000, -0.0013146700000000 ] - [ -0.0000991100000000, -0.0004881800000000, 0.0002934100000000 ] - [ 0.0006486800000000, 0.0003681100000000, 0.0005381100000000 ] - [ 0.0008507400000000, -0.0002063600000000, 0.0009885300000000 ] - [ -0.0002153200000000, -0.0002954300000000, 0.0001480900000000 ] - [ -0.0005978800000000, 0.0000109800000000, -0.0005632800000000 ] - [ -0.0003481900000000, -0.0001751100000000, -0.0003548400000000 ] - [ 0.0005721100000000, -0.0014091500000000, -0.0002528000000000 ] - [ -0.0002541800000000, 0.0002250200000000, -0.0000633200000000 ] - [ -0.0001799300000000, -0.0005293000000000, -0.0006159000000000 ] - [ -0.0002650400000000, 0.0001294300000000, -0.0000628200000000 ] - [ 0.0004446100000000, -0.0007662900000000, 0.0002326300000000 ] - [ 0.0002969800000000, 0.0001497200000000, 0.0000913200000000 ] - [ -0.0004420300000000, -0.0003318800000000, -0.0000427900000000 ] - [ 0.0002379600000000, 0.0001623700000000, 0.0000274300000000 ] - [ 0.0001516200000000, -0.0000445900000000, -0.0000476800000000 ] - [ 0.0002926200000000, 0.0001492200000000, 0.0001576500000000 ] - [ -0.0000557600000000, 0.0036667700000000, 0.0026582800000000 ] - [ -0.0000025200000000, 0.0009049300000000, 0.0001293200000000 ] - [ -0.0514964700000000, -0.0818419900000000, 0.0767311500000000 ] - [ 0.0005816300000000, 0.0007977100000000, -0.0000813100000000 ] - [ 0.0003571600000000, 0.0001370300000000, 0.0001046200000000 ] - [ 0.0005088800000000, 0.0005760700000000, -0.0000327800000000 ] - [ -0.0017015800000000, -0.0028304600000000, -0.0004675000000000 ] - [ -0.0000821800000000, 0.0004883100000000, -0.0002542100000000 ] - [ -0.0004788700000000, -0.0005390700000000, -0.0005778800000000 ] - [ -0.0001130400000000, 0.0003270000000000, -0.0003127100000000 ] - [ -0.0006365100000000, 0.0004899400000000, -0.0018674400000000 ] - [ -0.0003291200000000, 0.0002050400000000, -0.0002363800000000 ] - [ -0.0000432700000000, -0.0000683100000000, 0.0000962800000000 ] - [ 0.0003124800000000, 0.0003391400000000, -0.0001633300000000 ] - [ -0.0005465000000000, -0.0005346200000000, -0.0000476300000000 ] - [ -0.0001312600000000, -0.0000559300000000, -0.0004805700000000 ] - [ 0.0030938800000000, 0.0022533200000000, -0.0019590700000000 ] - [ -0.0005391600000000, -0.0000356400000000, -0.0000125000000000 ] - [ -0.0000789800000000, 0.0003490800000000, -0.0005257100000000 ] - [ -0.0004132300000000, 0.0003486900000000, -0.0000531100000000 ] - [ -0.0009852500000000, 0.0011183800000000, 0.0012634300000000 ] - [ -0.0005897300000000, 0.0011174300000000, -0.0003714100000000 ] - [ 0.0002592600000000, -0.0000227300000000, 0.0002520800000000 ] - [ 0.0002531500000000, -0.0011907000000000, 0.0001178100000000 ] - [ 0.0001482200000000, -0.0000228500000000, 0.0004077400000000 ] - [ 0.0009958000000000, -0.0011984300000000, -0.0002836500000000 ] - [ -0.0002016100000000, -0.0002442000000000, -0.0003962200000000 ] - [ -0.0001571600000000, 0.0001640000000000, -0.0002983500000000 ] - [ 0.0003376000000000, 0.0006754200000000, 0.0015805900000000 ] - [ -0.0005399300000000, 0.0009609300000000, -0.0006170600000000 ] - [ -0.0001202500000000, -0.0004910900000000, 0.0000596600000000 ] - [ 0.0002441400000000, 0.0002744100000000, 0.0002933700000000 ] - [ 0.0004656400000000, -0.0001152600000000, 0.0005448500000000 ] - [ 0.0002790700000000, 0.0003345000000000, 0.0004111300000000 ] - [ 0.0015685100000000, -0.0019397100000000, -0.0013359100000000 ] - [ 0.0000761200000000, 0.0004526800000000, 0.0002800300000000 ] - [ 0.0004835700000000, -0.0007689900000000, 0.0004915000000000 ] - [ 0.0000894400000000, 0.0004137000000000, 0.0002682500000000 ] - [ -0.0013143100000000, 0.0000699600000000, -0.0001760500000000 ] - [ 0.0002926800000000, 0.0003801800000000, 0.0005573600000000 ] - [ 0.0000775200000000, -0.0000688400000000, -0.0000175800000000 ] - [ -0.0005860400000000, -0.0000703600000000, -0.0004236500000000 ] - [ 0.0006160500000000, 0.0004417700000000, -0.0005644800000000 ] - [ 0.0001536500000000, 0.0000710400000000, 0.0003931500000000 ] - [ 0.0000634500000000, -0.0001576600000000, 0.0002537000000000 ] - [ 0.0002445400000000, 0.0001364100000000, -0.0002877600000000 ] - [ 0.0001680100000000, 0.0002807900000000, 0.0001878600000000 ] - [ 0.0000357900000000, -0.0004404100000000, -0.0006031500000000 ] - [ 0.0002623100000000, 0.0003271500000000, 0.0002816000000000 ] - [ 0.0005491000000000, -0.0002034000000000, 0.0001633100000000 ] - [ 0.0003725500000000, 0.0003632900000000, 0.0002638800000000 ] - [ 0.0006030100000000, 0.0003621300000000, 0.0002368300000000 ] - [ 0.0004252600000000, 0.0006296400000000, -0.0002634400000000 ] - [ 0.0004142400000000, 0.0006298100000000, -0.0002656300000000 ] - [ 0.0009645800000000, 0.0015902500000000, -0.0002370300000000 ] - [ -0.0004253800000000, 0.0001420800000000, -0.0001152500000000 ] - [ -0.0003476400000000, -0.0000178400000000, -0.0003149600000000 ] - [ -0.0000054700000000, 0.0002468100000000, -0.0004355900000000 ] - [ -0.0002386700000000, 0.0002640700000000, -0.0002677100000000 ] - [ -0.0003163700000000, -0.0000490400000000, -0.0001505700000000 ] - [ -0.0001710600000000, 0.0004514700000000, -0.0001640200000000 ] - [ 0.0039509800000000, 0.0008491800000000, -0.0175968500000000 ] - [ -0.0002006700000000, -0.0000845200000000, -0.0003493700000000 ] - [ -0.0005662600000000, -0.0005098200000000, -0.0002669500000000 ] - [ -0.0002412600000000, -0.0000342700000000, -0.0003190400000000 ] - [ -0.0000065400000000, -0.0013718500000000, 0.0008574600000000 ] - [ -0.0002439600000000, -0.0007731500000000, -0.0010591300000000 ] - [ -0.0005482600000000, 0.0006686400000000, 0.0000802200000000 ] - [ 0.0001481400000000, -0.0000517200000000, -0.0002186100000000 ] - [ -0.0005332200000000, 0.0006292700000000, 0.0000354500000000 ] - [ -0.0004982000000000, -0.0004865800000000, -0.0002092000000000 ] - [ 0.0002747400000000, -0.0000711700000000, 0.0004831500000000 ] - [ 0.0006117300000000, -0.0004854500000000, 0.0002243700000000 ] - [ 0.0001115100000000, -0.0000717600000000, 0.0002557200000000 ] - [ -0.0003032900000000, 0.0004781700000000, -0.0004480200000000 ] - [ -0.0000948700000000, -0.0005912000000000, -0.0001055300000000 ] - [ -0.0003148500000000, 0.0003431400000000, -0.0003215900000000 ] - [ 0.0002633400000000, -0.0006381900000000, -0.0002149400000000 ] - [ 0.0002866600000000, 0.0002707600000000, 0.0003171500000000 ] - [ 0.0001088200000000, -0.0001864600000000, 0.0002469400000000 ] - [ 0.0002806900000000, 0.0007349600000000, 0.0004339800000000 ] - [ 0.0187069400000000, 0.0070066100000000, -0.0126435400000000 ] - [ -0.0001119200000000, 0.0004125400000000, 0.0001169600000000 ] - [ 0.0003679600000000, -0.0001860600000000, 0.0004923200000000 ] - [ 0.0005026600000000, 0.0000368600000000, 0.0006295800000000 ] - [ -0.0002717700000000, 0.0006072900000000, -0.0000433400000000 ]- atom: 61 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001726900000000, -0.0007622600000000, -0.0002426400000000 ] - [ 0.0000017200000000, 0.0006246400000000, -0.0000411400000000 ] - [ 0.0005016600000000, -0.0036771600000000, 0.0014008500000000 ] - [ -0.0001208300000000, 0.0009155500000000, 0.0001247200000000 ] - [ 0.0017477800000000, -0.0062787700000000, 0.0010924500000000 ] - [ -0.0000391800000000, 0.0010297800000000, 0.0004769000000000 ] - [ 0.0001068200000000, -0.0006408500000000, 0.0000264700000000 ] - [ 0.0000121600000000, 0.0004949400000000, -0.0001425300000000 ] - [ 0.0002526100000000, 0.0005139200000000, -0.0004668400000000 ] - [ -0.0001015800000000, -0.0001403700000000, -0.0000617400000000 ] - [ -0.0007773200000000, 0.0007389000000000, 0.0002586200000000 ] - [ 0.0026754300000000, 0.0013997500000000, -0.0011280600000000 ] - [ 0.0002241800000000, 0.0006267400000000, -0.0000973200000000 ] - [ 0.0002601900000000, -0.0005160700000000, 0.0001529800000000 ] - [ 0.0000369700000000, 0.0007462700000000, 0.0001974300000000 ] - [ 0.0001523400000000, 0.0002339200000000, -0.0026638300000000 ] - [ 0.0000669800000000, -0.0002764500000000, -0.0002186000000000 ] - [ 0.0002023500000000, 0.0001027500000000, 0.0001533600000000 ] - [ 0.0013933400000000, 0.0029504200000000, 0.0035067800000000 ] - [ -0.0010406800000000, 0.0022189400000000, -0.0004226100000000 ] - [ -0.0002925900000000, 0.0007843200000000, -0.0001164900000000 ] - [ 0.0024945700000000, -0.0058501700000000, -0.0025287600000000 ] - [ -0.0003478100000000, 0.0005550400000000, 0.0000424500000000 ] - [ 0.0005996500000000, -0.0010993900000000, -0.0006061800000000 ] - [ 0.0018997200000000, 0.0011882700000000, -0.0015274700000000 ] - [ -0.0000690700000000, 0.0004081400000000, 0.0004312300000000 ] - [ -0.0004422100000000, -0.0003454500000000, 0.0004282600000000 ] - [ 0.0003253000000000, 0.0005777500000000, -0.0003884500000000 ] - [ -0.0002446600000000, -0.0003399000000000, -0.0002384200000000 ] - [ 0.0000686800000000, 0.0004071600000000, -0.0002991300000000 ] - [ -0.0341761500000000, -0.0612386600000000, 0.0455676300000000 ] - [ 0.0002718700000000, 0.0009958800000000, -0.0001551100000000 ] - [ 0.0003719800000000, -0.0013360800000000, -0.0007603700000000 ] - [ -0.0002069700000000, 0.0005987500000000, 0.0001781000000000 ] - [ 0.0008693800000000, -0.0008536600000000, 0.0001583400000000 ] - [ -0.0000717800000000, 0.0005300300000000, 0.0002814100000000 ] - [ -0.0011456900000000, 0.0000683500000000, -0.0004631500000000 ] - [ 0.0003295000000000, 0.0002806100000000, 0.0006557500000000 ] - [ 0.0006658200000000, -0.0002032100000000, 0.0003347700000000 ] - [ -0.0008285200000000, 0.0006431800000000, -0.0005501000000000 ] - [ 0.0002780800000000, 0.0006692300000000, 0.0000689500000000 ] - [ 0.0010495400000000, -0.0036590900000000, 0.0015925900000000 ] - [ 0.0002813000000000, 0.0005080900000000, -0.0000240100000000 ] - [ -0.0004718800000000, -0.0003511300000000, -0.0002733100000000 ] - [ -0.0010415600000000, 0.0001916900000000, -0.0012709600000000 ] - [ 0.0000354100000000, 0.0002797500000000, -0.0004206100000000 ] - [ 0.0004164900000000, -0.0000321600000000, 0.0002948800000000 ] - [ 0.0001671600000000, 0.0001593400000000, 0.0000856700000000 ] - [ -0.0010609600000000, 0.0012567000000000, -0.0000423900000000 ] - [ -0.0002316300000000, -0.0003949900000000, -0.0002298700000000 ] - [ -0.0003029000000000, 0.0003644800000000, 0.0003294900000000 ] - [ -0.0002202400000000, -0.0002991200000000, -0.0002303700000000 ] - [ 0.0000376800000000, 0.0005976700000000, 0.0000563600000000 ] - [ 0.0001890600000000, -0.0003194000000000, 0.0002020300000000 ] - [ 0.0009318300000000, 0.0001640400000000, 0.0003393100000000 ] - [ 0.0002471700000000, -0.0003324700000000, 0.0002658400000000 ] - [ 0.0003337900000000, 0.0002146200000000, 0.0003418400000000 ] - [ 0.0001922400000000, 0.0000191500000000, 0.0001347500000000 ] - [ 0.0005528100000000, -0.0035526000000000, -0.0023998400000000 ] - [ 0.0004858200000000, -0.0007390900000000, 0.0001617900000000 ] - [ 0.0508399500000000, 0.0826950400000000, -0.0752749000000000 ] - [ 0.0001657500000000, -0.0001039700000000, 0.0003636800000000 ] - [ 0.0003908400000000, 0.0005587300000000, 0.0001783800000000 ] - [ 0.0002390500000000, 0.0001170700000000, 0.0003151800000000 ] - [ 0.0013000700000000, 0.0028250600000000, -0.0001937700000000 ] - [ -0.0002989900000000, -0.0005012200000000, -0.0003937400000000 ] - [ 0.0000988300000000, 0.0005305000000000, -0.0000690400000000 ] - [ -0.0002682200000000, -0.0003398000000000, -0.0003354500000000 ] - [ 0.0001539300000000, -0.0003255400000000, 0.0015935600000000 ] - [ -0.0001569600000000, -0.0000364500000000, -0.0000560000000000 ] - [ -0.0004422400000000, 0.0002389200000000, -0.0003897600000000 ] - [ -0.0007976400000000, -0.0001702300000000, -0.0001294600000000 ] - [ -0.0001997100000000, -0.0001572400000000, -0.0002352300000000 ] - [ -0.0006188300000000, -0.0006396100000000, 0.0002005900000000 ] - [ -0.0038614200000000, -0.0029686900000000, 0.0016696600000000 ] - [ -0.0002091600000000, -0.0006596400000000, -0.0002699300000000 ] - [ -0.0006708400000000, 0.0003463900000000, 0.0002459200000000 ] - [ -0.0003352100000000, 0.0003462100000000, -0.0002284200000000 ] - [ 0.0002405900000000, -0.0004283100000000, -0.0015591400000000 ] - [ -0.0001593400000000, -0.0004292100000000, 0.0000892400000000 ] - [ 0.0004890200000000, -0.0006734200000000, 0.0000293700000000 ] - [ 0.0005058300000000, 0.0005065900000000, 0.0001548700000000 ] - [ 0.0006020600000000, -0.0006740900000000, -0.0001285500000000 ] - [ -0.0002637000000000, 0.0004983600000000, 0.0005856400000000 ] - [ -0.0001788400000000, 0.0002568000000000, -0.0002502600000000 ] - [ -0.0002231600000000, -0.0001551800000000, -0.0003480000000000 ] - [ -0.0007272400000000, -0.0006621300000000, -0.0022496800000000 ] - [ 0.0001604200000000, -0.0009542700000000, -0.0000305200000000 ] - [ 0.0005040000000000, 0.0005070100000000, 0.0005913300000000 ] - [ 0.0001363000000000, -0.0002641000000000, 0.0003553300000000 ] - [ -0.0000839600000000, 0.0001302400000000, 0.0001016000000000 ] - [ 0.0001010300000000, -0.0003249500000000, 0.0002365600000000 ] - [ -0.0012111100000000, 0.0019555800000000, 0.0020203400000000 ] - [ 0.0003047800000000, -0.0004655600000000, 0.0003675900000000 ] - [ -0.0001071100000000, 0.0007660200000000, 0.0001559400000000 ] - [ 0.0002922700000000, -0.0004277600000000, 0.0003804800000000 ] - [ 0.0008395600000000, -0.0002394000000000, -0.0001173400000000 ] - [ -0.0007791900000000, -0.0005502300000000, -0.0008512200000000 ] - [ -0.0005655000000000, -0.0000992100000000, -0.0002745900000000 ] - [ 0.0001028100000000, -0.0000991100000000, 0.0001327600000000 ] - [ -0.0001374300000000, -0.0006115100000000, 0.0008558100000000 ] - [ 0.0003315400000000, -0.0002403400000000, -0.0001003500000000 ] - [ 0.0004241800000000, -0.0000101700000000, 0.0000390200000000 ] - [ 0.0002401000000000, -0.0003071900000000, 0.0005810900000000 ] - [ 0.0003179500000000, -0.0001125200000000, 0.0001051000000000 ] - [ 0.0004523400000000, 0.0006135100000000, 0.0009021100000000 ] - [ 0.0002232300000000, -0.0001587000000000, 0.0000108400000000 ] - [ -0.0000649500000000, 0.0003726800000000, 0.0001280800000000 ] - [ 0.0003785400000000, 0.0003329300000000, 0.0000148800000000 ] - [ 0.0001452300000000, 0.0003315600000000, 0.0000447300000000 ] - [ 0.0003224900000000, 0.0000617900000000, 0.0005497100000000 ] - [ 0.0003324600000000, 0.0000618900000000, 0.0005514800000000 ] - [ -0.0013510000000000, -0.0016104200000000, -0.0004138700000000 ] - [ 0.0000442500000000, -0.0001538700000000, -0.0005329600000000 ] - [ -0.0000311600000000, 0.0000086300000000, -0.0003317600000000 ] - [ -0.0003763200000000, -0.0002607300000000, -0.0002111300000000 ] - [ -0.0002469400000000, -0.0000955700000000, -0.0000249700000000 ] - [ -0.0001676800000000, 0.0002188200000000, -0.0001421100000000 ] - [ -0.0003151300000000, -0.0002843500000000, -0.0001287500000000 ] - [ -0.0043844200000000, -0.0007530600000000, 0.0171160500000000 ] - [ -0.0005492800000000, -0.0006106700000000, 0.0000691100000000 ] - [ -0.0001814700000000, -0.0001836500000000, -0.0000131100000000 ] - [ -0.0005080200000000, -0.0006614400000000, 0.0000389200000000 ] - [ -0.0007414100000000, 0.0006765200000000, -0.0011391700000000 ] - [ -0.0005045000000000, 0.0014767300000000, 0.0007824300000000 ] - [ -0.0001992000000000, 0.0000249800000000, -0.0003632500000000 ] - [ -0.0008976300000000, 0.0007481800000000, -0.0000622100000000 ] - [ -0.0002149600000000, 0.0000649400000000, -0.0003175600000000 ] - [ 0.0012571600000000, -0.0002069900000000, 0.0004929700000000 ] - [ 0.0004743800000000, -0.0006249600000000, -0.0002026200000000 ] - [ 0.0001333600000000, -0.0002055000000000, 0.0000609000000000 ] - [ 0.0006389300000000, -0.0006256800000000, 0.0000240800000000 ] - [ -0.0000771100000000, -0.0004707800000000, -0.0001974800000000 ] - [ -0.0002873300000000, 0.0006056300000000, -0.0005427700000000 ] - [ -0.0000648800000000, -0.0003343800000000, -0.0003251100000000 ] - [ -0.0006459900000000, 0.0006492100000000, -0.0004334700000000 ] - [ 0.0000931500000000, -0.0002618100000000, 0.0003294400000000 ] - [ 0.0002718100000000, 0.0001972500000000, 0.0004003200000000 ] - [ 0.0000994700000000, -0.0007277600000000, 0.0002136700000000 ] - [ -0.0179035200000000, -0.0067614300000000, 0.0130617900000000 ] - [ 0.0004957800000000, -0.0004261000000000, 0.0005319100000000 ] - [ 0.0000129900000000, 0.0001737600000000, 0.0001555200000000 ] - [ -0.0001255100000000, -0.0000460100000000, 0.0000154500000000 ] - [ 0.0006552600000000, -0.0006228300000000, 0.0006925100000000 ]- atom: 61 displacement: [ -0.0063550541202937, 0.0000000000000000, 0.0077209641320329 ] forces: - [ -0.0003599900000000, -0.0005278700000000, -0.0007318100000000 ] - [ 0.0000668700000000, 0.0005276900000000, -0.0001816800000000 ] - [ 0.0012417000000000, -0.0011506700000000, 0.0081473400000000 ] - [ -0.0002947400000000, 0.0007457100000000, 0.0004674500000000 ] - [ -0.0045555600000000, 0.0026967500000000, -0.0004096300000000 ] - [ -0.0005652500000000, 0.0007857400000000, 0.0008769800000000 ] - [ 0.0006250200000000, -0.0006592100000000, -0.0003601000000000 ] - [ 0.0001430100000000, 0.0004495700000000, -0.0003055300000000 ] - [ 0.0001740300000000, 0.0008407100000000, -0.0009080600000000 ] - [ -0.0004609800000000, -0.0015959500000000, -0.0016737900000000 ] - [ 0.0002100200000000, 0.0000163100000000, 0.0004490100000000 ] - [ 0.0041207500000000, 0.0028532000000000, -0.0009622300000000 ] - [ 0.0005001100000000, 0.0007190400000000, -0.0000828300000000 ] - [ 0.0032245600000000, -0.0014068000000000, 0.0007811000000000 ] - [ -0.0001708300000000, 0.0003498100000000, -0.0002246300000000 ] - [ -0.0006667900000000, 0.0010453200000000, -0.0057634500000000 ] - [ 0.0003494200000000, -0.0001627300000000, -0.0004967000000000 ] - [ 0.0009234700000000, -0.0005623600000000, -0.0004596600000000 ] - [ 0.0000051600000000, -0.0002368000000000, 0.0017286900000000 ] - [ -0.0020167500000000, 0.0035170800000000, 0.0000857300000000 ] - [ -0.0004004200000000, 0.0007842600000000, -0.0000579300000000 ] - [ 0.0077196400000000, -0.0008581000000000, -0.0082649500000000 ] - [ -0.0001314800000000, 0.0003465700000000, -0.0001689600000000 ] - [ 0.0026146500000000, -0.0039032800000000, -0.0036502100000000 ] - [ 0.0030456900000000, 0.0028263000000000, -0.0018248300000000 ] - [ -0.0002296900000000, -0.0012590100000000, 0.0010603100000000 ] - [ -0.0002002100000000, -0.0005250700000000, -0.0004444700000000 ] - [ 0.0004381000000000, 0.0010875000000000, -0.0008841000000000 ] - [ 0.0014748400000000, 0.0006567300000000, -0.0025467700000000 ] - [ 0.0000943100000000, 0.0003852500000000, -0.0004607700000000 ] - [ -0.1530395900000000, -0.0647542800000000, 0.1814219500000000 ] - [ 0.0000757800000000, 0.0006600000000000, 0.0000986100000000 ] - [ -0.0018628500000000, -0.0007926200000000, -0.0038469900000000 ] - [ -0.0003553900000000, 0.0005651400000000, 0.0000192900000000 ] - [ 0.0025641500000000, -0.0010206200000000, 0.0009977500000000 ] - [ 0.0001394100000000, 0.0003849900000000, 0.0004584300000000 ] - [ -0.0008352000000000, -0.0000546300000000, -0.0000305400000000 ] - [ 0.0007515100000000, 0.0000978500000000, 0.0011881600000000 ] - [ -0.0005279200000000, 0.0000369600000000, -0.0000434700000000 ] - [ -0.0014147000000000, 0.0008880800000000, -0.0009768900000000 ] - [ 0.0003614200000000, 0.0005708400000000, 0.0002806900000000 ] - [ 0.0017945400000000, -0.0015726800000000, 0.0041115700000000 ] - [ 0.0001664900000000, 0.0004344600000000, -0.0001902400000000 ] - [ -0.0008331200000000, -0.0000406000000000, -0.0013828400000000 ] - [ -0.0011862200000000, 0.0003182000000000, -0.0017735200000000 ] - [ -0.0003791700000000, 0.0000358200000000, -0.0009836600000000 ] - [ 0.0011045800000000, 0.0003132200000000, 0.0008201000000000 ] - [ 0.0005993200000000, 0.0000778700000000, 0.0006170500000000 ] - [ -0.0061221700000000, 0.0003427000000000, 0.0015061400000000 ] - [ -0.0002206100000000, -0.0003658100000000, -0.0002775000000000 ] - [ 0.0003403900000000, 0.0008757300000000, 0.0016481900000000 ] - [ -0.0002262000000000, -0.0002290500000000, -0.0001106100000000 ] - [ -0.0012570200000000, 0.0004647000000000, -0.0010635900000000 ] - [ 0.0000681400000000, -0.0002679300000000, 0.0001079800000000 ] - [ 0.0017969700000000, 0.0000959700000000, 0.0007742900000000 ] - [ 0.0003736600000000, -0.0003234200000000, 0.0003252200000000 ] - [ 0.0002421500000000, 0.0001320100000000, 0.0005445600000000 ] - [ 0.0001096900000000, 0.0002425400000000, 0.0004299500000000 ] - [ 0.0003334600000000, 0.0006658900000000, -0.0011765800000000 ] - [ 0.0005918300000000, -0.0011966400000000, 0.0000341100000000 ] - [ 0.1465987900000000, 0.0883631000000000, -0.1872923600000000 ] - [ 0.0004090300000000, 0.0000453600000000, 0.0000683500000000 ] - [ -0.0006678900000000, 0.0003270100000000, 0.0014367500000000 ] - [ 0.0001595400000000, 0.0001280300000000, 0.0004295300000000 ] - [ -0.0011166400000000, 0.0010883400000000, -0.0031154600000000 ] - [ -0.0003182300000000, -0.0004674100000000, -0.0004771000000000 ] - [ 0.0002636200000000, 0.0005682400000000, 0.0003518900000000 ] - [ -0.0002265600000000, -0.0002652500000000, -0.0002599800000000 ] - [ 0.0005154400000000, -0.0005415600000000, 0.0015301500000000 ] - [ 0.0002103900000000, 0.0000633500000000, 0.0001744100000000 ] - [ -0.0009506200000000, 0.0003347500000000, -0.0006902900000000 ] - [ -0.0010675600000000, -0.0001036900000000, -0.0003285800000000 ] - [ -0.0004631700000000, -0.0001656500000000, 0.0001722200000000 ] - [ -0.0008741900000000, -0.0007632200000000, 0.0005558400000000 ] - [ -0.0034410800000000, -0.0039675900000000, 0.0009419100000000 ] - [ 0.0003864200000000, -0.0001411600000000, -0.0010745600000000 ] - [ -0.0008406800000000, 0.0002540500000000, 0.0003810100000000 ] - [ -0.0009448400000000, 0.0008348700000000, 0.0003004900000000 ] - [ -0.0002861900000000, 0.0003955200000000, -0.0003522000000000 ] - [ 0.0000687300000000, -0.0011288500000000, -0.0000760200000000 ] - [ 0.0004776300000000, -0.0006965200000000, 0.0000655100000000 ] - [ -0.0046047700000000, 0.0003786400000000, 0.0050495600000000 ] - [ 0.0004444100000000, -0.0005044400000000, 0.0000390900000000 ] - [ -0.0039585700000000, -0.0004083300000000, 0.0054611600000000 ] - [ -0.0003710700000000, 0.0001240300000000, -0.0001779300000000 ] - [ -0.0005313800000000, 0.0002489300000000, -0.0003834600000000 ] - [ 0.0004314700000000, 0.0014392100000000, -0.0006797900000000 ] - [ 0.0004722100000000, -0.0013901400000000, 0.0000342800000000 ] - [ 0.0006395100000000, 0.0004660300000000, 0.0008595000000000 ] - [ 0.0002830800000000, -0.0000999500000000, 0.0005402400000000 ] - [ -0.0004556100000000, -0.0003481000000000, -0.0002287400000000 ] - [ -0.0000818400000000, -0.0002945800000000, 0.0000159000000000 ] - [ -0.0021697200000000, -0.0009460800000000, 0.0049512800000000 ] - [ 0.0003695300000000, -0.0003442600000000, 0.0003671700000000 ] - [ -0.0010220100000000, 0.0018207200000000, 0.0001199600000000 ] - [ 0.0001796800000000, -0.0003271100000000, 0.0003796300000000 ] - [ 0.0008166300000000, -0.0003222700000000, -0.0005107400000000 ] - [ -0.0011252600000000, -0.0007785900000000, -0.0013178500000000 ] - [ -0.0003091000000000, -0.0000587000000000, -0.0001155100000000 ] - [ 0.0004060100000000, 0.0000389700000000, 0.0006200300000000 ] - [ -0.0000971200000000, -0.0010611800000000, 0.0009027100000000 ] - [ 0.0002313000000000, 0.0006387700000000, -0.0002568500000000 ] - [ 0.0003439100000000, 0.0000673800000000, 0.0002980300000000 ] - [ 0.0002080600000000, -0.0006153000000000, 0.0008140300000000 ] - [ 0.0004020500000000, -0.0000453200000000, 0.0002505900000000 ] - [ 0.0017099900000000, 0.0010160200000000, 0.0022757500000000 ] - [ 0.0001158300000000, -0.0001858400000000, -0.0001102600000000 ] - [ -0.0010503000000000, 0.0001306700000000, -0.0006790900000000 ] - [ 0.0001164800000000, 0.0002763500000000, -0.0000162300000000 ] - [ -0.0001074000000000, 0.0004446400000000, -0.0002003600000000 ] - [ 0.0002859400000000, 0.0000066100000000, 0.0008037500000000 ] - [ 0.0004722400000000, 0.0000007200000000, 0.0009571400000000 ] - [ -0.0017178900000000, -0.0022597500000000, -0.0005482300000000 ] - [ -0.0002775700000000, 0.0010827200000000, -0.0006222400000000 ] - [ -0.0000456300000000, 0.0001054800000000, -0.0000996200000000 ] - [ -0.0004054600000000, -0.0006236000000000, 0.0000201200000000 ] - [ -0.0002491900000000, -0.0000934000000000, 0.0000410500000000 ] - [ -0.0007281300000000, 0.0000354900000000, 0.0004084000000000 ] - [ -0.0002702400000000, -0.0001262100000000, -0.0002246500000000 ] - [ 0.0130466000000000, -0.0096527300000000, 0.0097815500000000 ] - [ -0.0005074800000000, -0.0006175200000000, 0.0001713800000000 ] - [ -0.0002654200000000, -0.0003236700000000, 0.0008010200000000 ] - [ -0.0005447200000000, -0.0005678200000000, -0.0000972700000000 ] - [ -0.0015039000000000, 0.0001828100000000, -0.0012504500000000 ] - [ 0.0006548300000000, 0.0011358500000000, 0.0016053800000000 ] - [ -0.0001636300000000, 0.0000666400000000, -0.0003452500000000 ] - [ -0.0014376500000000, 0.0007373000000000, -0.0002315100000000 ] - [ -0.0002607300000000, 0.0001113100000000, -0.0003291600000000 ] - [ 0.0013522400000000, -0.0002588800000000, 0.0003294500000000 ] - [ 0.0004805500000000, -0.0006030800000000, -0.0003229500000000 ] - [ 0.0004758600000000, -0.0006321200000000, -0.0003887100000000 ] - [ 0.0008102200000000, -0.0006737900000000, -0.0000498300000000 ] - [ 0.0000052700000000, -0.0005316300000000, -0.0001426300000000 ] - [ 0.0008673600000000, 0.0002068000000000, 0.0011222900000000 ] - [ -0.0002185200000000, -0.0001650300000000, -0.0003831600000000 ] - [ -0.0014219700000000, 0.0010401100000000, -0.0008850100000000 ] - [ 0.0000763800000000, -0.0002833900000000, 0.0003903800000000 ] - [ -0.0001124500000000, 0.0000092100000000, 0.0009451300000000 ] - [ 0.0001497700000000, -0.0003323900000000, 0.0001422200000000 ] - [ 0.0007535300000000, -0.0137597900000000, -0.0106187000000000 ] - [ 0.0003646200000000, -0.0003408900000000, 0.0004114000000000 ] - [ -0.0003396500000000, 0.0004818900000000, -0.0000034200000000 ] - [ 0.0003687500000000, -0.0001275500000000, 0.0003799100000000 ] - [ 0.0010561400000000, -0.0011219800000000, 0.0009274300000000 ]- atom: 61 displacement: [ 0.0063550541202937, 0.0000000000000000, -0.0077209641320329 ] forces: - [ 0.0003634700000000, 0.0005989100000000, 0.0007408100000000 ] - [ -0.0000668100000000, -0.0004713000000000, 0.0001821200000000 ] - [ -0.0013278900000000, 0.0012331900000000, -0.0081551800000000 ] - [ 0.0002947500000000, -0.0006908800000000, -0.0004674900000000 ] - [ 0.0045426300000000, -0.0028112800000000, 0.0005101100000000 ] - [ 0.0005647100000000, -0.0008577800000000, -0.0008792800000000 ] - [ -0.0006296700000000, 0.0006056600000000, 0.0003570000000000 ] - [ -0.0001421500000000, -0.0005189500000000, 0.0003045900000000 ] - [ -0.0001768900000000, -0.0007803700000000, 0.0009085700000000 ] - [ 0.0004553900000000, 0.0016491700000000, 0.0016670600000000 ] - [ -0.0001960700000000, 0.0000369100000000, -0.0004514000000000 ] - [ -0.0041440100000000, -0.0027997900000000, 0.0009677200000000 ] - [ -0.0004999400000000, -0.0007861700000000, 0.0000838900000000 ] - [ -0.0032056000000000, 0.0013421500000000, -0.0007722100000000 ] - [ 0.0001705800000000, -0.0004228100000000, 0.0002192900000000 ] - [ 0.0006634600000000, -0.0011117600000000, 0.0057958700000000 ] - [ -0.0001681100000000, 0.0001488600000000, 0.0007663200000000 ] - [ -0.0007389800000000, 0.0005392900000000, 0.0007256400000000 ] - [ 0.0001647700000000, 0.0001528600000000, -0.0015022600000000 ] - [ 0.0022037400000000, -0.0035523800000000, 0.0001849200000000 ] - [ 0.0002195600000000, -0.0007719100000000, -0.0002082700000000 ] - [ -0.0078304900000000, 0.0010370100000000, 0.0079380400000000 ] - [ -0.0000442900000000, -0.0003373200000000, -0.0001013200000000 ] - [ -0.0028093900000000, 0.0039462200000000, 0.0033952300000000 ] - [ -0.0028713900000000, -0.0028119300000000, 0.0020980700000000 ] - [ 0.0004111600000000, 0.0012715100000000, -0.0007895300000000 ] - [ 0.0003910100000000, 0.0005512300000000, 0.0007041600000000 ] - [ -0.0002606700000000, -0.0010753200000000, 0.0011531700000000 ] - [ -0.0016377800000000, -0.0006645700000000, 0.0022602900000000 ] - [ -0.0002781800000000, -0.0004082700000000, 0.0001942400000000 ] - [ 0.1611878400000000, 0.0708731700000000, -0.1917979000000000 ] - [ -0.0002604400000000, -0.0006875500000000, -0.0003644500000000 ] - [ 0.0020247100000000, 0.0007924900000000, 0.0041206900000000 ] - [ 0.0005389000000000, -0.0005889000000000, 0.0002472200000000 ] - [ -0.0023942400000000, 0.0010109100000000, -0.0007344500000000 ] - [ 0.0000435400000000, -0.0004089900000000, -0.0001922000000000 ] - [ 0.0006614700000000, 0.0000689300000000, -0.0002294700000000 ] - [ -0.0009324200000000, -0.0000805900000000, -0.0014579000000000 ] - [ 0.0003360100000000, -0.0000187100000000, -0.0002369800000000 ] - [ 0.0012391600000000, -0.0008770900000000, 0.0007090200000000 ] - [ -0.0001824300000000, -0.0005601900000000, -0.0000090500000000 ] - [ -0.0015801200000000, 0.0016647200000000, -0.0038294500000000 ] - [ 0.0000110500000000, -0.0004239700000000, 0.0004589100000000 ] - [ 0.0010152300000000, 0.0000624800000000, 0.0016448600000000 ] - [ 0.0010144400000000, -0.0003349600000000, 0.0015111500000000 ] - [ 0.0001955300000000, -0.0000566400000000, 0.0007190300000000 ] - [ -0.0012890800000000, -0.0003334000000000, -0.0010896000000000 ] - [ -0.0007794500000000, -0.0000960400000000, -0.0008843400000000 ] - [ 0.0055306300000000, -0.0005213000000000, -0.0017914200000000 ] - [ -0.0002672800000000, 0.0001990600000000, -0.0000130700000000 ] - [ -0.0008335100000000, -0.0010508900000000, -0.0019498200000000 ] - [ -0.0002616000000000, 0.0000631500000000, -0.0001784600000000 ] - [ 0.0017320700000000, -0.0006411200000000, 0.0013407100000000 ] - [ 0.0004199200000000, 0.0001014600000000, 0.0001830900000000 ] - [ -0.0013113900000000, -0.0002707300000000, -0.0004789000000000 ] - [ 0.0001145000000000, 0.0001571200000000, -0.0000339800000000 ] - [ 0.0002436800000000, 0.0000348700000000, -0.0002539700000000 ] - [ 0.0003769500000000, -0.0000716700000000, -0.0001377400000000 ] - [ 0.0001507400000000, -0.0004457500000000, 0.0014956400000000 ] - [ -0.0001052200000000, 0.0013738800000000, 0.0002567100000000 ] - [ -0.1535845500000000, -0.0941530200000000, 0.1973213200000000 ] - [ 0.0003439700000000, 0.0006558600000000, 0.0002060900000000 ] - [ 0.0014118500000000, 0.0003655400000000, -0.0011526500000000 ] - [ 0.0005902800000000, 0.0005697600000000, -0.0001510200000000 ] - [ 0.0006725600000000, -0.0011428000000000, 0.0024466200000000 ] - [ -0.0000615500000000, 0.0004548000000000, -0.0001752900000000 ] - [ -0.0006454000000000, -0.0005907000000000, -0.0010047100000000 ] - [ -0.0001525500000000, 0.0002526400000000, -0.0003918800000000 ] - [ -0.0010065800000000, 0.0007141300000000, -0.0018367200000000 ] - [ -0.0006989900000000, 0.0001079700000000, -0.0004672900000000 ] - [ 0.0004638500000000, -0.0001670400000000, 0.0004016900000000 ] - [ 0.0005798700000000, 0.0002743200000000, 0.0000369500000000 ] - [ -0.0002893500000000, -0.0005331200000000, -0.0004487600000000 ] - [ 0.0001265600000000, 0.0000705300000000, -0.0008369400000000 ] - [ 0.0027012300000000, 0.0032526200000000, -0.0012484400000000 ] - [ -0.0011360400000000, -0.0005520900000000, 0.0007945200000000 ] - [ 0.0000931700000000, 0.0004418700000000, -0.0006627200000000 ] - [ 0.0001915700000000, -0.0001342400000000, -0.0005762800000000 ] - [ -0.0004763600000000, 0.0003162100000000, 0.0000962400000000 ] - [ -0.0008193200000000, 0.0018318100000000, -0.0002012000000000 ] - [ 0.0002703900000000, 0.0000023300000000, 0.0002149700000000 ] - [ 0.0052680000000000, -0.0010957200000000, -0.0046941600000000 ] - [ 0.0003020200000000, -0.0001886700000000, 0.0002426500000000 ] - [ 0.0047528800000000, -0.0002777900000000, -0.0052363100000000 ] - [ -0.0000104700000000, -0.0001105900000000, -0.0004743100000000 ] - [ 0.0001499800000000, -0.0002299800000000, -0.0002671100000000 ] - [ -0.0008063800000000, -0.0013903100000000, 0.0000567200000000 ] - [ -0.0008560000000000, 0.0014167200000000, -0.0006897800000000 ] - [ -0.0002623600000000, -0.0004531700000000, -0.0002072900000000 ] - [ 0.0000973500000000, 0.0001204000000000, 0.0001128100000000 ] - [ 0.0008389000000000, 0.0003677700000000, 0.0008809700000000 ] - [ 0.0004607100000000, 0.0003125400000000, 0.0006367500000000 ] - [ 0.0025396700000000, 0.0008474100000000, -0.0042239500000000 ] - [ 0.0000095500000000, 0.0003314200000000, 0.0002845100000000 ] - [ 0.0014114400000000, -0.0018515000000000, 0.0005372100000000 ] - [ 0.0001993700000000, 0.0003130100000000, 0.0002744600000000 ] - [ -0.0013080400000000, 0.0001540800000000, 0.0002142800000000 ] - [ 0.0006405200000000, 0.0006111600000000, 0.0010298300000000 ] - [ -0.0001726100000000, -0.0001085900000000, -0.0001704400000000 ] - [ -0.0008965700000000, -0.0002070400000000, -0.0009122400000000 ] - [ 0.0005887900000000, 0.0008949300000000, -0.0006158100000000 ] - [ 0.0002560600000000, -0.0008033600000000, 0.0005464500000000 ] - [ 0.0001418600000000, -0.0002385600000000, -0.0000035400000000 ] - [ 0.0002810600000000, 0.0004485700000000, -0.0005227500000000 ] - [ 0.0000854500000000, 0.0002168800000000, 0.0000427800000000 ] - [ -0.0012199100000000, -0.0008509300000000, -0.0019882000000000 ] - [ 0.0003717300000000, 0.0003570700000000, 0.0004027500000000 ] - [ 0.0015440900000000, 0.0000335200000000, 0.0009691800000000 ] - [ 0.0006330800000000, 0.0004214700000000, 0.0002942200000000 ] - [ 0.0008572800000000, 0.0002516300000000, 0.0004784400000000 ] - [ 0.0004630000000000, 0.0006911600000000, -0.0005260200000000 ] - [ 0.0002774700000000, 0.0006966200000000, -0.0006791300000000 ] - [ 0.0013367500000000, 0.0022418600000000, -0.0001025600000000 ] - [ -0.0001029500000000, -0.0010980100000000, -0.0000323700000000 ] - [ -0.0003362300000000, -0.0001220300000000, -0.0005500900000000 ] - [ 0.0000270800000000, 0.0006114700000000, -0.0006723600000000 ] - [ -0.0002395500000000, 0.0002646000000000, -0.0003341800000000 ] - [ 0.0002312500000000, 0.0001320100000000, -0.0006987600000000 ] - [ -0.0002167200000000, 0.0002996100000000, -0.0000669100000000 ] - [ -0.0138087200000000, 0.0099358800000000, -0.0101846900000000 ] - [ -0.0002403600000000, -0.0000755500000000, -0.0004510200000000 ] - [ -0.0004850800000000, -0.0003746200000000, -0.0010777600000000 ] - [ -0.0002049100000000, -0.0001251100000000, -0.0001825100000000 ] - [ 0.0007437300000000, -0.0008937200000000, 0.0009867300000000 ] - [ -0.0013947200000000, -0.0004485100000000, -0.0019022600000000 ] - [ -0.0005866500000000, 0.0006328600000000, 0.0000673800000000 ] - [ 0.0006974600000000, -0.0000452800000000, -0.0000447000000000 ] - [ -0.0004909700000000, 0.0005884200000000, 0.0000525200000000 ] - [ -0.0006044200000000, -0.0004384500000000, -0.0000539300000000 ] - [ 0.0002677200000000, -0.0000913300000000, 0.0006035200000000 ] - [ 0.0002768400000000, -0.0000616100000000, 0.0006741600000000 ] - [ -0.0000647400000000, -0.0000196800000000, 0.0003320000000000 ] - [ -0.0003854700000000, 0.0005496000000000, -0.0005078100000000 ] - [ -0.0012381000000000, -0.0001989900000000, -0.0017688500000000 ] - [ -0.0001634900000000, 0.0001846000000000, -0.0002676200000000 ] - [ 0.0010468200000000, -0.0010299400000000, 0.0002375400000000 ] - [ 0.0003038100000000, 0.0003003300000000, 0.0002602900000000 ] - [ 0.0004890400000000, 0.0000055800000000, -0.0002876700000000 ] - [ 0.0002310500000000, 0.0003596900000000, 0.0005121200000000 ] - [ -0.0004248200000000, 0.0139711900000000, 0.0115547500000000 ] - [ 0.0000121300000000, 0.0003291700000000, 0.0002378000000000 ] - [ 0.0007195000000000, -0.0005017600000000, 0.0006566100000000 ] - [ 0.0000165300000000, 0.0001131300000000, 0.0002778600000000 ] - [ -0.0006804300000000, 0.0011131300000000, -0.0002787100000000 ]- atom: 65 displacement: [ 0.0099999999946580, 0.0000000000000000, -0.0000003268642978 ] forces: - [ 0.0014364700000000, 0.0013825100000000, -0.0028729200000000 ] - [ 0.0001137600000000, -0.0002158200000000, -0.0001578400000000 ] - [ -0.0023745800000000, -0.0001922500000000, -0.0005580000000000 ] - [ -0.0003092500000000, -0.0002003200000000, 0.0000992400000000 ] - [ 0.0046958800000000, 0.0011706300000000, -0.0012622400000000 ] - [ 0.0002691600000000, -0.0000506000000000, 0.0001126200000000 ] - [ -0.0001241800000000, 0.0003293600000000, 0.0000699600000000 ] - [ -0.0000908600000000, -0.0002571600000000, 0.0001324100000000 ] - [ -0.0003736100000000, -0.0002083400000000, 0.0002992800000000 ] - [ -0.0004841400000000, 0.0002609500000000, 0.0001493900000000 ] - [ 0.0007713600000000, -0.0002268500000000, -0.0000291800000000 ] - [ 0.0026318000000000, -0.0010387600000000, 0.0016024600000000 ] - [ -0.0002865500000000, -0.0001010600000000, 0.0000724800000000 ] - [ -0.0044844900000000, -0.0018422500000000, -0.0006387100000000 ] - [ 0.0000278200000000, -0.0003338300000000, -0.0001471400000000 ] - [ 0.0001859900000000, 0.0004249500000000, -0.0008529400000000 ] - [ -0.0004358400000000, 0.0006577700000000, -0.0000054700000000 ] - [ 0.0000121600000000, -0.0003809000000000, -0.0003045800000000 ] - [ -0.0003486300000000, -0.0008152300000000, -0.0011626300000000 ] - [ -0.0000430500000000, 0.0007810800000000, 0.0000199900000000 ] - [ -0.0001493900000000, -0.0002701000000000, -0.0001269000000000 ] - [ -0.0024033600000000, 0.0014329300000000, 0.0005780900000000 ] - [ 0.0001059600000000, -0.0001918200000000, -0.0002115500000000 ] - [ 0.0006008400000000, -0.0004757000000000, -0.0002706400000000 ] - [ -0.0017294600000000, -0.0004594900000000, -0.0001888400000000 ] - [ -0.0006010700000000, -0.0003072600000000, -0.0001372900000000 ] - [ 0.0007116600000000, 0.0003068500000000, -0.0002854500000000 ] - [ 0.0004960500000000, 0.0000608100000000, 0.0002349000000000 ] - [ -0.0013718300000000, 0.0004281100000000, -0.0012065200000000 ] - [ -0.0002511100000000, -0.0001594300000000, -0.0001660700000000 ] - [ -0.0016543800000000, 0.0046010700000000, -0.0061297900000000 ] - [ -0.0000983900000000, -0.0002464400000000, -0.0000661600000000 ] - [ -0.0006166400000000, 0.0012701200000000, 0.0013683800000000 ] - [ 0.0002619400000000, -0.0002553000000000, 0.0000957400000000 ] - [ -0.0014830700000000, 0.0005405400000000, 0.0025762500000000 ] - [ 0.0001531600000000, -0.0002128900000000, 0.0001841400000000 ] - [ 0.0021808200000000, 0.0018010400000000, 0.0001135400000000 ] - [ 0.0007771200000000, -0.0011114100000000, -0.0003719100000000 ] - [ -0.0005640200000000, 0.0000926200000000, -0.0003538900000000 ] - [ -0.0004541500000000, 0.0002895000000000, -0.0001717800000000 ] - [ 0.0002446500000000, -0.0001720700000000, 0.0002486200000000 ] - [ 0.0627000400000000, 0.0532235900000000, 0.0256851600000000 ] - [ -0.0001031700000000, -0.0001712400000000, 0.0001528800000000 ] - [ -0.0008371700000000, -0.0000591900000000, -0.0000204900000000 ] - [ 0.0008695000000000, -0.0001568500000000, 0.0006302000000000 ] - [ 0.0002672000000000, 0.0002350100000000, -0.0003075900000000 ] - [ -0.0007260800000000, 0.0003783700000000, -0.0001074100000000 ] - [ -0.0011997600000000, -0.0010409400000000, 0.0011275500000000 ] - [ 0.0009277300000000, -0.0002976800000000, -0.0002072700000000 ] - [ -0.0001503200000000, 0.0000307000000000, -0.0001126300000000 ] - [ -0.0004462000000000, 0.0000254700000000, 0.0001713000000000 ] - [ -0.0003078100000000, -0.0000256800000000, -0.0000998300000000 ] - [ 0.0048580500000000, 0.0154440000000000, 0.0142998100000000 ] - [ 0.0001730000000000, 0.0000129800000000, 0.0000847400000000 ] - [ 0.0007673700000000, -0.0002139800000000, 0.0004907300000000 ] - [ 0.0003151500000000, -0.0000367300000000, 0.0001349400000000 ] - [ 0.0004930800000000, 0.0000045500000000, 0.0002479700000000 ] - [ 0.0004446800000000, 0.0002145400000000, 0.0003301600000000 ] - [ 0.0007918500000000, 0.0011561600000000, 0.0014083800000000 ] - [ -0.0000243400000000, -0.0001420400000000, 0.0001551100000000 ] - [ 0.0053828100000000, -0.0011395700000000, 0.0031210800000000 ] - [ 0.0004489800000000, 0.0004557500000000, 0.0000337600000000 ] - [ 0.0003110000000000, 0.0000606900000000, 0.0006731100000000 ] - [ 0.0004119500000000, 0.0004253100000000, 0.0001218300000000 ] - [ -0.0786969700000000, -0.0876710800000000, -0.0376099000000000 ] - [ -0.0002770800000000, 0.0001168700000000, -0.0003589600000000 ] - [ 0.0001847300000000, 0.0001437700000000, -0.0001737300000000 ] - [ -0.0000964600000000, 0.0001225500000000, -0.0002950300000000 ] - [ -0.0007778800000000, 0.0005304900000000, -0.0013600100000000 ] - [ -0.0002986100000000, 0.0000283100000000, -0.0001143800000000 ] - [ -0.0000637000000000, -0.0001911400000000, -0.0002403800000000 ] - [ -0.0003725700000000, 0.0003894900000000, -0.0006071000000000 ] - [ -0.0006042600000000, -0.0006594200000000, 0.0002534800000000 ] - [ -0.0004802700000000, -0.0002949900000000, -0.0001059500000000 ] - [ 0.0005862100000000, -0.0000743300000000, -0.0001829800000000 ] - [ -0.0001008900000000, -0.0002603400000000, -0.0002629700000000 ] - [ 0.0000584300000000, 0.0001719300000000, -0.0004651700000000 ] - [ -0.0002560000000000, 0.0006519800000000, 0.0001869200000000 ] - [ -0.0007888900000000, 0.0008100700000000, 0.0006373100000000 ] - [ -0.0005946500000000, 0.0000363200000000, -0.0000910500000000 ] - [ 0.0004234700000000, -0.0002246300000000, 0.0001433200000000 ] - [ 0.0015737400000000, -0.0008014800000000, -0.0004672000000000 ] - [ 0.0002214000000000, -0.0002370200000000, 0.0002629100000000 ] - [ -0.0005796800000000, -0.0004446000000000, 0.0007120500000000 ] - [ 0.0000933200000000, -0.0007061900000000, -0.0000391100000000 ] - [ -0.0001464700000000, 0.0001760100000000, -0.0002244500000000 ] - [ 0.0000926100000000, 0.0002166900000000, 0.0000151600000000 ] - [ -0.0001463700000000, -0.0001296800000000, -0.0002842300000000 ] - [ -0.0002885200000000, -0.0003532100000000, 0.0001488500000000 ] - [ 0.0000849400000000, -0.0000475500000000, 0.0003365200000000 ] - [ 0.0008041400000000, -0.0001906800000000, 0.0002614300000000 ] - [ 0.0007565900000000, 0.0007797000000000, 0.0003275200000000 ] - [ 0.0012486800000000, -0.0011193500000000, 0.0002434200000000 ] - [ 0.0001989100000000, 0.0000962200000000, 0.0003137500000000 ] - [ -0.0001831100000000, 0.0001852800000000, 0.0000453000000000 ] - [ 0.0000960600000000, 0.0001638800000000, 0.0002872100000000 ] - [ -0.0020225300000000, 0.0003048800000000, -0.0006790500000000 ] - [ -0.0008792900000000, 0.0001887800000000, -0.0000489500000000 ] - [ -0.0000116900000000, -0.0000628200000000, -0.0000661400000000 ] - [ -0.0000697600000000, -0.0000804200000000, -0.0000903800000000 ] - [ 0.0019940900000000, 0.0004736700000000, 0.0000584300000000 ] - [ 0.0005449700000000, -0.0002200400000000, 0.0002704700000000 ] - [ 0.0001015500000000, -0.0001447100000000, 0.0002816300000000 ] - [ 0.0000476000000000, 0.0000077900000000, -0.0001525900000000 ] - [ 0.0001698400000000, 0.0001529400000000, 0.0001704800000000 ] - [ -0.0004645200000000, -0.0004045000000000, -0.0007105600000000 ] - [ 0.0002835300000000, 0.0001541200000000, 0.0001468700000000 ] - [ 0.0009586800000000, -0.0001453600000000, -0.0005667100000000 ] - [ 0.0004961300000000, 0.0001142000000000, 0.0001243800000000 ] - [ 0.0014987000000000, 0.0015020900000000, -0.0009064600000000 ] - [ 0.0003636700000000, 0.0005330100000000, -0.0001499800000000 ] - [ 0.0003014900000000, 0.0001908500000000, 0.0002659300000000 ] - [ 0.0004482000000000, 0.0006445800000000, -0.0000006600000000 ] - [ 0.0004482700000000, 0.0004130900000000, -0.0002500800000000 ] - [ -0.0004004500000000, -0.0001288100000000, -0.0003346700000000 ] - [ -0.0004007800000000, -0.0001894100000000, -0.0003315000000000 ] - [ -0.0001847000000000, 0.0001054300000000, -0.0001267700000000 ] - [ 0.0011699500000000, -0.0003931500000000, 0.0011934700000000 ] - [ -0.0002265200000000, 0.0002017700000000, -0.0001701200000000 ] - [ 0.0016257000000000, -0.0014980400000000, 0.0013635800000000 ] - [ -0.0002825000000000, -0.0002523600000000, -0.0002092800000000 ] - [ -0.0000427800000000, -0.0004296300000000, -0.0002555000000000 ] - [ -0.0004001700000000, -0.0002589200000000, -0.0002105300000000 ] - [ 0.0019577500000000, 0.0181161100000000, 0.0025633500000000 ] - [ -0.0000551400000000, -0.0010385000000000, -0.0029308000000000 ] - [ -0.0005205300000000, 0.0004625200000000, -0.0000276300000000 ] - [ 0.0005352000000000, 0.0000553800000000, -0.0009557900000000 ] - [ -0.0003668400000000, 0.0004496000000000, -0.0001451300000000 ] - [ -0.0007758900000000, -0.0008746000000000, -0.0000072900000000 ] - [ -0.0001139700000000, -0.0000010200000000, 0.0005909600000000 ] - [ 0.0006714600000000, -0.0003370600000000, 0.0001503900000000 ] - [ 0.0006451900000000, -0.0003823900000000, -0.0000787000000000 ] - [ -0.0002519400000000, 0.0002547200000000, -0.0003943700000000 ] - [ -0.0000201400000000, -0.0005143500000000, -0.0004243400000000 ] - [ -0.0002521700000000, 0.0000844100000000, -0.0003533200000000 ] - [ -0.0000227600000000, -0.0000662500000000, -0.0008280600000000 ] - [ 0.0002846800000000, 0.0001026700000000, 0.0003534400000000 ] - [ 0.0008480600000000, 0.0004357400000000, 0.0007505900000000 ] - [ 0.0001379500000000, 0.0002576800000000, 0.0003411100000000 ] - [ -0.0000563200000000, -0.0041044100000000, 0.0015103000000000 ] - [ -0.0002546800000000, -0.0002011500000000, 0.0003116400000000 ] - [ -0.0002566800000000, 0.0011984700000000, 0.0004139400000000 ] - [ 0.0004084300000000, -0.0000430100000000, 0.0005050100000000 ] - [ 0.0004087400000000, -0.0003363100000000, 0.0004543300000000 ]- atom: 65 displacement: [ -0.0099999999946580, 0.0000000000000000, 0.0000003268642978 ] forces: - [ -0.0014401300000000, -0.0013220800000000, 0.0028949500000000 ] - [ -0.0001147300000000, 0.0002884000000000, 0.0001599400000000 ] - [ 0.0023959100000000, 0.0002609800000000, 0.0005640100000000 ] - [ 0.0003113000000000, 0.0002720700000000, -0.0000996300000000 ] - [ -0.0048705000000000, -0.0014292900000000, 0.0013741100000000 ] - [ -0.0002740500000000, -0.0000135200000000, -0.0001140500000000 ] - [ 0.0001246300000000, -0.0004025700000000, -0.0000709400000000 ] - [ 0.0000920600000000, 0.0001905700000000, -0.0001334100000000 ] - [ 0.0003764600000000, 0.0002790900000000, -0.0003025100000000 ] - [ 0.0004857000000000, -0.0001933500000000, -0.0001495400000000 ] - [ -0.0007788900000000, 0.0003011400000000, 0.0000305000000000 ] - [ -0.0026466200000000, 0.0011194000000000, -0.0016170700000000 ] - [ 0.0002884300000000, 0.0000354200000000, -0.0000737200000000 ] - [ 0.0045180200000000, 0.0017842200000000, 0.0006463200000000 ] - [ -0.0000272200000000, 0.0002693500000000, 0.0001490500000000 ] - [ -0.0001880900000000, -0.0004970300000000, 0.0008623000000000 ] - [ 0.0006197800000000, -0.0006811100000000, 0.0002747400000000 ] - [ 0.0001715800000000, 0.0003655800000000, 0.0005799600000000 ] - [ 0.0005303200000000, 0.0008004600000000, 0.0014450900000000 ] - [ 0.0002236100000000, -0.0008037300000000, 0.0002490400000000 ] - [ -0.0000318900000000, 0.0002919300000000, -0.0001435500000000 ] - [ 0.0022393600000000, -0.0014285800000000, -0.0008566200000000 ] - [ -0.0002883600000000, 0.0002115400000000, -0.0000567700000000 ] - [ -0.0007866600000000, 0.0004947700000000, -0.0000018900000000 ] - [ 0.0019258300000000, 0.0004823500000000, 0.0004603200000000 ] - [ 0.0007870800000000, 0.0003284900000000, 0.0004080300000000 ] - [ -0.0005350600000000, -0.0002907700000000, 0.0005591100000000 ] - [ -0.0003169900000000, -0.0000426200000000, 0.0000344400000000 ] - [ 0.0012002500000000, -0.0004498000000000, 0.0009434200000000 ] - [ 0.0000705900000000, 0.0001430800000000, -0.0001039300000000 ] - [ 0.0014659500000000, -0.0046933500000000, 0.0058827800000000 ] - [ -0.0000820600000000, 0.0002332600000000, -0.0002049000000000 ] - [ 0.0007968100000000, -0.0012880300000000, -0.0010959400000000 ] - [ -0.0000825900000000, 0.0002405200000000, 0.0001743100000000 ] - [ 0.0016862500000000, -0.0005679400000000, -0.0023325300000000 ] - [ 0.0000269900000000, 0.0001976000000000, 0.0000850600000000 ] - [ -0.0023702100000000, -0.0018066700000000, -0.0003987200000000 ] - [ -0.0009604500000000, 0.0011480200000000, 0.0001078400000000 ] - [ 0.0003881800000000, -0.0000757900000000, 0.0000875700000000 ] - [ 0.0002749800000000, -0.0002728500000000, -0.0000981400000000 ] - [ -0.0000640300000000, 0.0001936600000000, 0.0000201300000000 ] - [ -0.0626187200000000, -0.0522328200000000, -0.0249718300000000 ] - [ 0.0002860000000000, 0.0001907400000000, 0.0001173900000000 ] - [ 0.0010241400000000, 0.0000755600000000, 0.0002912700000000 ] - [ -0.0010583400000000, 0.0001402000000000, -0.0009063000000000 ] - [ -0.0004512200000000, -0.0002532600000000, 0.0000415800000000 ] - [ 0.0005485100000000, -0.0003966700000000, -0.0001600500000000 ] - [ 0.0010275900000000, 0.0010323700000000, -0.0014081100000000 ] - [ -0.0014227600000000, 0.0001318700000000, -0.0000842500000000 ] - [ -0.0003355600000000, -0.0002010200000000, -0.0001801300000000 ] - [ -0.0000373700000000, -0.0001939300000000, -0.0004650600000000 ] - [ -0.0001770300000000, -0.0001438900000000, -0.0001936300000000 ] - [ -0.0043077400000000, -0.0153562100000000, -0.0136980600000000 ] - [ 0.0003127500000000, -0.0001836000000000, 0.0002086900000000 ] - [ -0.0002866600000000, 0.0000468000000000, -0.0002014600000000 ] - [ 0.0001690100000000, -0.0001327400000000, 0.0001573700000000 ] - [ -0.0000102100000000, 0.0001650900000000, 0.0000436200000000 ] - [ 0.0000378000000000, -0.0000469900000000, -0.0000402200000000 ] - [ -0.0003138300000000, -0.0009948600000000, -0.0011278200000000 ] - [ 0.0005115600000000, 0.0003121300000000, 0.0001382300000000 ] - [ -0.0047441400000000, 0.0018597800000000, -0.0028914700000000 ] - [ 0.0002991400000000, 0.0002365900000000, 0.0002486200000000 ] - [ 0.0004378000000000, 0.0006355400000000, -0.0003942600000000 ] - [ 0.0003362100000000, 0.0002680400000000, 0.0001597200000000 ] - [ 0.0786384700000000, 0.0862739500000000, 0.0361013400000000 ] - [ -0.0001034900000000, -0.0001305800000000, -0.0002884800000000 ] - [ -0.0005679400000000, -0.0001547300000000, -0.0004750000000000 ] - [ -0.0002852300000000, -0.0001345100000000, -0.0003533000000000 ] - [ 0.0002968200000000, -0.0003638300000000, 0.0010777400000000 ] - [ -0.0001869100000000, 0.0001408800000000, -0.0001799500000000 ] - [ -0.0004225200000000, 0.0003618500000000, -0.0000530300000000 ] - [ -0.0001115500000000, -0.0002232600000000, 0.0003179600000000 ] - [ -0.0001419300000000, -0.0000327900000000, -0.0005383300000000 ] - [ -0.0002681800000000, -0.0003998800000000, -0.0001761900000000 ] - [ -0.0013427500000000, -0.0006210300000000, -0.0000986000000000 ] - [ -0.0006500800000000, -0.0004352600000000, -0.0000171600000000 ] - [ -0.0008106000000000, 0.0005247500000000, 0.0001869800000000 ] - [ -0.0004945200000000, 0.0000414100000000, -0.0004710800000000 ] - [ 0.0000457700000000, -0.0001201200000000, -0.0009286800000000 ] - [ -0.0001538800000000, 0.0006614800000000, -0.0001899600000000 ] - [ 0.0003247200000000, -0.0004719100000000, 0.0001383800000000 ] - [ -0.0008340700000000, 0.0001105100000000, 0.0007532400000000 ] - [ 0.0005289900000000, -0.0004597700000000, 0.0000162600000000 ] - [ 0.0013356400000000, -0.0002496500000000, -0.0004326100000000 ] - [ -0.0004765300000000, 0.0007237000000000, -0.0006102400000000 ] - [ -0.0002358000000000, -0.0001675900000000, -0.0004240100000000 ] - [ -0.0004775400000000, -0.0002039500000000, -0.0006663400000000 ] - [ -0.0002347900000000, 0.0001408800000000, -0.0003637700000000 ] - [ 0.0006721300000000, 0.0003676000000000, 0.0005002400000000 ] - [ 0.0002965800000000, 0.0000584700000000, 0.0003107200000000 ] - [ -0.0004272400000000, 0.0002018300000000, 0.0003850800000000 ] - [ -0.0003794900000000, -0.0007741700000000, 0.0003201700000000 ] - [ -0.0008753200000000, 0.0011204100000000, 0.0004052300000000 ] - [ 0.0001823900000000, -0.0001091000000000, 0.0003338900000000 ] - [ 0.0005668600000000, -0.0001959200000000, 0.0006048100000000 ] - [ 0.0002858100000000, -0.0001772000000000, 0.0003611400000000 ] - [ 0.0015599400000000, -0.0004746400000000, 0.0003958500000000 ] - [ 0.0003941100000000, -0.0003682200000000, -0.0002440000000000 ] - [ -0.0004763100000000, -0.0001062800000000, -0.0002278200000000 ] - [ -0.0004164600000000, -0.0000890100000000, -0.0002027700000000 ] - [ -0.0015251700000000, -0.0006484900000000, 0.0002361900000000 ] - [ -0.0000611200000000, 0.0000515800000000, 0.0000216200000000 ] - [ 0.0003851800000000, -0.0000239000000000, 0.0000097000000000 ] - [ 0.0004388300000000, -0.0001777300000000, 0.0004469600000000 ] - [ 0.0003160600000000, 0.0000154200000000, 0.0001217800000000 ] - [ 0.0009505500000000, 0.0005768400000000, 0.0010057700000000 ] - [ 0.0002012800000000, 0.0000139800000000, 0.0001455600000000 ] - [ -0.0004843600000000, 0.0003166000000000, 0.0008643100000000 ] - [ 0.0002525800000000, 0.0005810600000000, 0.0001560200000000 ] - [ -0.0007588100000000, -0.0008163900000000, 0.0011975800000000 ] - [ 0.0003852200000000, 0.0001595000000000, 0.0004332200000000 ] - [ 0.0004473400000000, 0.0005038500000000, 0.0000146600000000 ] - [ -0.0008346000000000, -0.0006617400000000, -0.0006500100000000 ] - [ -0.0008340800000000, -0.0004273100000000, -0.0003980600000000 ] - [ 0.0000210400000000, 0.0001188900000000, -0.0003129900000000 ] - [ 0.0000211300000000, 0.0001797700000000, -0.0003162700000000 ] - [ -0.0003013300000000, 0.0000631400000000, -0.0001661900000000 ] - [ -0.0016645000000000, 0.0005654700000000, -0.0014964300000000 ] - [ -0.0002587400000000, -0.0000344600000000, -0.0001221000000000 ] - [ -0.0021338900000000, 0.0016920300000000, -0.0016680700000000 ] - [ -0.0004673100000000, -0.0004426800000000, -0.0000717200000000 ] - [ -0.0007062700000000, -0.0002635700000000, -0.0000278400000000 ] - [ -0.0003495900000000, -0.0004373100000000, -0.0000689800000000 ] - [ -0.0027210200000000, -0.0184915400000000, -0.0028149500000000 ] - [ -0.0006751900000000, 0.0017382500000000, 0.0026536400000000 ] - [ -0.0002263600000000, 0.0002309400000000, -0.0002559400000000 ] - [ -0.0012952400000000, 0.0006433500000000, 0.0006841700000000 ] - [ -0.0003821200000000, 0.0002446400000000, -0.0001364900000000 ] - [ 0.0015269800000000, 0.0001927700000000, 0.0002904200000000 ] - [ 0.0008678300000000, -0.0006995700000000, -0.0003161900000000 ] - [ 0.0000744900000000, -0.0003577700000000, 0.0001303400000000 ] - [ 0.0001015400000000, -0.0003133200000000, 0.0003613300000000 ] - [ -0.0001282900000000, -0.0002473000000000, -0.0002514500000000 ] - [ -0.0003584600000000, 0.0005256200000000, -0.0002216200000000 ] - [ -0.0001281500000000, -0.0000757500000000, -0.0002932900000000 ] - [ -0.0003613400000000, 0.0000761600000000, 0.0001874200000000 ] - [ 0.0000951500000000, -0.0000937400000000, 0.0002928800000000 ] - [ -0.0004694800000000, -0.0004258400000000, -0.0001039200000000 ] - [ 0.0002430800000000, -0.0002495200000000, 0.0003070000000000 ] - [ 0.0004589900000000, 0.0041725100000000, -0.0008603100000000 ] - [ 0.0006383300000000, 0.0001903800000000, 0.0003395000000000 ] - [ 0.0006359200000000, -0.0012224900000000, 0.0002313600000000 ] - [ -0.0000302100000000, 0.0000332900000000, 0.0001394400000000 ] - [ -0.0000294900000000, 0.0003284900000000, 0.0001912100000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0013312000000000, 0.0029560900000000, -0.0023751600000000 ] - [ 0.0000410200000000, -0.0010777100000000, -0.0001497100000000 ] - [ -0.0012624100000000, 0.0013365000000000, -0.0003549700000000 ] - [ -0.0002543600000000, -0.0008844900000000, 0.0000795500000000 ] - [ -0.0024090300000000, 0.0011156500000000, 0.0009248200000000 ] - [ 0.0005588200000000, -0.0011914700000000, -0.0000152400000000 ] - [ 0.0001024800000000, 0.0010251300000000, -0.0001163700000000 ] - [ -0.0000918500000000, -0.0007820100000000, 0.0002029000000000 ] - [ -0.0003743100000000, -0.0004310000000000, 0.0004328800000000 ] - [ -0.0002670300000000, 0.0001629800000000, -0.0000261000000000 ] - [ 0.0005894100000000, -0.0023247100000000, -0.0017632100000000 ] - [ 0.0019404100000000, -0.0026972600000000, 0.0032969700000000 ] - [ 0.0004873800000000, -0.0010944400000000, -0.0000335000000000 ] - [ -0.0056616800000000, -0.0015249800000000, -0.0015522300000000 ] - [ -0.0000723400000000, -0.0007655800000000, -0.0001691900000000 ] - [ 0.0001389400000000, 0.0004447200000000, -0.0001698500000000 ] - [ 0.0005497800000000, 0.0006259200000000, 0.0008889300000000 ] - [ -0.0002393700000000, -0.0005992400000000, -0.0006935100000000 ] - [ -0.0014927900000000, -0.0002103500000000, -0.0024392200000000 ] - [ 0.0006544200000000, -0.0003367700000000, 0.0005029000000000 ] - [ 0.0000312000000000, -0.0007579400000000, -0.0001537200000000 ] - [ -0.0017043600000000, 0.0018590200000000, -0.0002342400000000 ] - [ 0.0003151200000000, -0.0007176500000000, -0.0004574700000000 ] - [ -0.0000492700000000, 0.0008877400000000, 0.0001445400000000 ] - [ -0.0014626100000000, -0.0000162500000000, -0.0004572300000000 ] - [ -0.0006701300000000, -0.0006726900000000, -0.0001723000000000 ] - [ 0.0006759400000000, 0.0005203800000000, -0.0004219900000000 ] - [ 0.0003407200000000, -0.0002927400000000, 0.0004820200000000 ] - [ -0.0010478700000000, 0.0008549900000000, -0.0013142700000000 ] - [ -0.0002588000000000, -0.0005761000000000, 0.0000974600000000 ] - [ -0.0006361300000000, 0.0114362000000000, -0.0022682000000000 ] - [ -0.0006002900000000, -0.0010642000000000, -0.0001320200000000 ] - [ -0.0000564000000000, 0.0007896800000000, 0.0004127200000000 ] - [ 0.0003970600000000, -0.0007773600000000, 0.0000444600000000 ] - [ -0.0022698200000000, 0.0026495200000000, 0.0035704600000000 ] - [ 0.0004558900000000, -0.0009399400000000, 0.0000037900000000 ] - [ 0.0060380400000000, -0.0041354200000000, 0.0050779800000000 ] - [ 0.0004012000000000, -0.0028904100000000, -0.0013654200000000 ] - [ -0.0008352000000000, 0.0003123200000000, -0.0003360000000000 ] - [ -0.0001061200000000, -0.0000512600000000, -0.0000544700000000 ] - [ -0.0003025100000000, -0.0015940700000000, 0.0003135600000000 ] - [ 0.0707402200000000, 0.2322877600000000, 0.0970580800000000 ] - [ -0.0001598000000000, -0.0005129400000000, 0.0002411500000000 ] - [ -0.0004693300000000, 0.0003407600000000, 0.0001921800000000 ] - [ 0.0002489100000000, -0.0001564100000000, 0.0016598700000000 ] - [ 0.0002832500000000, -0.0001320100000000, -0.0005627300000000 ] - [ 0.0007282000000000, 0.0006271300000000, -0.0007154300000000 ] - [ -0.0016810300000000, -0.0017034100000000, 0.0016038200000000 ] - [ 0.0007164900000000, -0.0005324000000000, -0.0000830200000000 ] - [ -0.0002545100000000, 0.0002527500000000, -0.0000466800000000 ] - [ -0.0003806300000000, -0.0003172600000000, -0.0000884200000000 ] - [ -0.0002723000000000, 0.0001832400000000, 0.0000308200000000 ] - [ 0.0093117400000000, -0.0157930400000000, 0.0037422200000000 ] - [ 0.0002075700000000, 0.0005135800000000, 0.0000014800000000 ] - [ 0.0005746100000000, -0.0003436000000000, 0.0003325700000000 ] - [ 0.0002976500000000, 0.0001313800000000, 0.0000582500000000 ] - [ 0.0000877100000000, -0.0001644000000000, -0.0000527100000000 ] - [ 0.0005665500000000, 0.0003502000000000, 0.0004806200000000 ] - [ 0.0022813000000000, 0.0016287000000000, 0.0024953000000000 ] - [ -0.0002591400000000, 0.0003317800000000, 0.0000161300000000 ] - [ 0.0011240700000000, -0.0024786000000000, 0.0021895200000000 ] - [ 0.0006895900000000, 0.0008385500000000, -0.0001988300000000 ] - [ 0.0001801200000000, -0.0001896100000000, 0.0007299500000000 ] - [ 0.0005341400000000, 0.0006777600000000, -0.0000649300000000 ] - [ -0.0897834800000000, -0.2310790600000000, -0.0905182800000000 ] - [ -0.0000640200000000, 0.0009129700000000, -0.0002334800000000 ] - [ -0.0000368800000000, -0.0003097400000000, -0.0003339900000000 ] - [ -0.0000589200000000, 0.0003848800000000, -0.0002865000000000 ] - [ -0.0006228800000000, 0.0004931100000000, -0.0017876300000000 ] - [ -0.0003544400000000, 0.0001857300000000, -0.0000499700000000 ] - [ -0.0006381700000000, -0.0000307200000000, 0.0003789600000000 ] - [ -0.0002839200000000, 0.0006659700000000, -0.0008466800000000 ] - [ -0.0006750800000000, -0.0008427100000000, 0.0002084200000000 ] - [ -0.0003487200000000, -0.0000766500000000, -0.0002584100000000 ] - [ 0.0005857700000000, -0.0004655900000000, 0.0001849900000000 ] - [ -0.0001046700000000, -0.0000165200000000, -0.0003099500000000 ] - [ -0.0002072700000000, 0.0001646800000000, -0.0006388800000000 ] - [ -0.0002453800000000, 0.0007648400000000, 0.0004014700000000 ] - [ -0.0006843700000000, 0.0009599200000000, 0.0010494900000000 ] - [ -0.0007427200000000, 0.0003845100000000, -0.0002851900000000 ] - [ 0.0002445200000000, -0.0000073800000000, 0.0002580800000000 ] - [ 0.0014961400000000, -0.0009899500000000, -0.0002834000000000 ] - [ 0.0001004700000000, 0.0001275500000000, 0.0006119200000000 ] - [ 0.0001729800000000, -0.0009450200000000, -0.0002807500000000 ] - [ -0.0003970800000000, -0.0009498600000000, -0.0005817900000000 ] - [ -0.0000504500000000, 0.0004436200000000, -0.0000813100000000 ] - [ 0.0005259800000000, -0.0009429400000000, 0.0003108700000000 ] - [ -0.0003595500000000, 0.0004426400000000, -0.0004663000000000 ] - [ -0.0001730200000000, -0.0007330900000000, -0.0000872300000000 ] - [ 0.0001339700000000, 0.0002608700000000, 0.0004170700000000 ] - [ -0.0000082400000000, -0.0008237400000000, 0.0003153200000000 ] - [ 0.0009663000000000, 0.0013027900000000, 0.0003580200000000 ] - [ 0.0013092500000000, -0.0019017700000000, 0.0003972000000000 ] - [ 0.0000849300000000, 0.0004875200000000, 0.0002794400000000 ] - [ -0.0000052700000000, -0.0007834400000000, 0.0004882200000000 ] - [ 0.0000166400000000, 0.0005319900000000, 0.0002637700000000 ] - [ -0.0022917100000000, 0.0039870900000000, -0.0019152300000000 ] - [ -0.0003835100000000, 0.0016050800000000, 0.0002549200000000 ] - [ 0.0000685500000000, -0.0001146800000000, -0.0000696800000000 ] - [ -0.0002256700000000, -0.0000234100000000, -0.0001602000000000 ] - [ 0.0024229400000000, 0.0005976800000000, 0.0000787300000000 ] - [ 0.0004778300000000, -0.0000648800000000, 0.0003198800000000 ] - [ 0.0001142700000000, -0.0002324300000000, 0.0005605800000000 ] - [ 0.0000622300000000, 0.0001671300000000, -0.0004127500000000 ] - [ 0.0001848800000000, 0.0003631500000000, 0.0001903900000000 ] - [ -0.0000642000000000, -0.0003541100000000, -0.0002322100000000 ] - [ 0.0002077600000000, 0.0004379200000000, 0.0002827600000000 ] - [ 0.0012663700000000, -0.0006124200000000, -0.0008112900000000 ] - [ -0.0005274600000000, 0.0004930900000000, 0.0008049600000000 ] - [ 0.0020729500000000, 0.0019480900000000, -0.0013828800000000 ] - [ 0.0006192100000000, 0.0005983700000000, -0.0004573500000000 ] - [ 0.0002957200000000, 0.0003304400000000, 0.0002240600000000 ] - [ 0.0002325400000000, 0.0005736900000000, -0.0000380900000000 ] - [ 0.0004666800000000, 0.0005732100000000, -0.0001772900000000 ] - [ -0.0003719000000000, -0.0000713200000000, -0.0003781900000000 ] - [ -0.0003127400000000, -0.0000738100000000, -0.0003347000000000 ] - [ -0.0003278100000000, 0.0003910000000000, -0.0003711100000000 ] - [ 0.0009136600000000, -0.0004814800000000, 0.0012616800000000 ] - [ -0.0000581800000000, 0.0004001800000000, -0.0001169900000000 ] - [ 0.0002216600000000, -0.0016421400000000, -0.0000054600000000 ] - [ -0.0001728800000000, -0.0000794100000000, -0.0003504300000000 ] - [ -0.0002960200000000, -0.0005374900000000, -0.0000752200000000 ] - [ -0.0001933200000000, 0.0003859000000000, -0.0004376900000000 ] - [ 0.0128196800000000, 0.0066238900000000, -0.0073855100000000 ] - [ -0.0014887200000000, -0.0016137800000000, 0.0000596200000000 ] - [ -0.0006024300000000, 0.0008041700000000, 0.0001112200000000 ] - [ 0.0008900000000000, -0.0004238900000000, -0.0014820100000000 ] - [ -0.0005927900000000, 0.0007652200000000, 0.0000957000000000 ] - [ -0.0009206200000000, 0.0003185400000000, -0.0027442800000000 ] - [ -0.0004758500000000, 0.0006144400000000, 0.0012605500000000 ] - [ 0.0006053700000000, -0.0005946800000000, 0.0001773600000000 ] - [ 0.0005389400000000, -0.0001875400000000, -0.0000382200000000 ] - [ -0.0002678500000000, 0.0005902800000000, -0.0004785300000000 ] - [ -0.0001155400000000, -0.0006049300000000, -0.0002319800000000 ] - [ -0.0004387600000000, 0.0005899200000000, -0.0003278700000000 ] - [ 0.0003322700000000, -0.0005996500000000, -0.0012380000000000 ] - [ 0.0002861700000000, 0.0002870700000000, 0.0003243800000000 ] - [ 0.0006190300000000, 0.0001417400000000, 0.0006292800000000 ] - [ 0.0004400500000000, 0.0009258000000000, 0.0005109100000000 ] - [ -0.0039524600000000, -0.0018514500000000, -0.0033131700000000 ] - [ -0.0010249400000000, 0.0018869500000000, -0.0007194700000000 ] - [ 0.0003880200000000, 0.0018979600000000, 0.0007913100000000 ] - [ 0.0005196600000000, -0.0000788400000000, 0.0005827500000000 ] - [ 0.0002268200000000, -0.0000817400000000, 0.0003017400000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0013213300000000, -0.0028973400000000, 0.0023684200000000 ] - [ -0.0000414100000000, 0.0011470400000000, 0.0001470300000000 ] - [ 0.0012435200000000, -0.0012801900000000, 0.0003515900000000 ] - [ 0.0002525700000000, 0.0009557100000000, -0.0000777800000000 ] - [ 0.0022604200000000, -0.0013070200000000, -0.0008559400000000 ] - [ -0.0005542300000000, 0.0011259300000000, 0.0000170000000000 ] - [ -0.0001020900000000, -0.0010976300000000, 0.0001159500000000 ] - [ 0.0000917300000000, 0.0007150400000000, -0.0002024700000000 ] - [ 0.0003742900000000, 0.0004993100000000, -0.0004352000000000 ] - [ 0.0002629800000000, -0.0000888700000000, 0.0000270000000000 ] - [ -0.0005902500000000, 0.0024008500000000, 0.0017697700000000 ] - [ -0.0019148300000000, 0.0027675000000000, -0.0032836900000000 ] - [ -0.0004898200000000, 0.0010285700000000, 0.0000339800000000 ] - [ 0.0056404300000000, 0.0014580100000000, 0.0015366100000000 ] - [ 0.0000734300000000, 0.0006984800000000, 0.0001691000000000 ] - [ -0.0001393200000000, -0.0005065700000000, 0.0001607300000000 ] - [ -0.0003738000000000, -0.0006444800000000, -0.0006233800000000 ] - [ 0.0004158300000000, 0.0005827400000000, 0.0009590700000000 ] - [ 0.0016761600000000, 0.0001776900000000, 0.0027133900000000 ] - [ -0.0004772000000000, 0.0003319600000000, -0.0002331500000000 ] - [ -0.0002127600000000, 0.0007780200000000, -0.0001154800000000 ] - [ 0.0015066700000000, -0.0018395500000000, -0.0000245600000000 ] - [ -0.0004959700000000, 0.0007360100000000, 0.0001889900000000 ] - [ -0.0001230800000000, -0.0008772800000000, -0.0004232300000000 ] - [ 0.0016470200000000, 0.0000295200000000, 0.0007355600000000 ] - [ 0.0008477000000000, 0.0006928600000000, 0.0004407500000000 ] - [ -0.0004953100000000, -0.0005051300000000, 0.0006916300000000 ] - [ -0.0001558300000000, 0.0003154300000000, -0.0002143800000000 ] - [ 0.0008618000000000, -0.0008734900000000, 0.0010419000000000 ] - [ 0.0000764300000000, 0.0005587900000000, -0.0003688500000000 ] - [ 0.0003231000000000, -0.0114117000000000, 0.0018845500000000 ] - [ 0.0004219800000000, 0.0010507400000000, -0.0001363000000000 ] - [ 0.0002260600000000, -0.0007755400000000, -0.0001306300000000 ] - [ -0.0002157900000000, 0.0007605200000000, 0.0002237900000000 ] - [ 0.0024433400000000, -0.0026494600000000, -0.0032769900000000 ] - [ -0.0002759500000000, 0.0009231200000000, 0.0002669300000000 ] - [ -0.0062236800000000, 0.0042067800000000, -0.0053696600000000 ] - [ -0.0005826700000000, 0.0028892700000000, 0.0010925300000000 ] - [ 0.0006566100000000, -0.0002979500000000, 0.0000659900000000 ] - [ -0.0000795000000000, 0.0000748300000000, -0.0002162200000000 ] - [ 0.0004846100000000, 0.0016145400000000, -0.0000428700000000 ] - [ -0.0654901300000000, -0.2221783100000000, -0.0909325500000000 ] - [ 0.0003406200000000, 0.0005311300000000, 0.0000281500000000 ] - [ 0.0006426600000000, -0.0003264900000000, 0.0000769300000000 ] - [ -0.0004304300000000, 0.0001361400000000, -0.0019367100000000 ] - [ -0.0004589600000000, 0.0001200800000000, 0.0002884200000000 ] - [ -0.0009131700000000, -0.0006491800000000, 0.0004491700000000 ] - [ 0.0014945600000000, 0.0016808300000000, -0.0018670900000000 ] - [ -0.0011955500000000, 0.0003642300000000, -0.0002124800000000 ] - [ -0.0002311000000000, -0.0004223800000000, -0.0002467400000000 ] - [ -0.0001050300000000, 0.0001508500000000, -0.0002002600000000 ] - [ -0.0002138500000000, -0.0003524900000000, -0.0003240600000000 ] - [ -0.0087525400000000, 0.0152778900000000, -0.0034591200000000 ] - [ 0.0002778400000000, -0.0006827700000000, 0.0002914300000000 ] - [ -0.0000848600000000, 0.0001750800000000, -0.0000369200000000 ] - [ 0.0001880800000000, -0.0003007300000000, 0.0002348400000000 ] - [ 0.0004008100000000, 0.0003348200000000, 0.0003486900000000 ] - [ -0.0000790600000000, -0.0001815900000000, -0.0001867300000000 ] - [ -0.0018031100000000, -0.0014622400000000, -0.0022071700000000 ] - [ 0.0007424300000000, -0.0001671100000000, 0.0002752600000000 ] - [ -0.0003275200000000, 0.0031801500000000, -0.0018913800000000 ] - [ 0.0000587300000000, -0.0001458800000000, 0.0004796800000000 ] - [ 0.0005684800000000, 0.0008842600000000, -0.0004471400000000 ] - [ 0.0002146800000000, 0.0000158800000000, 0.0003465500000000 ] - [ 0.0842591900000000, 0.2212641100000000, 0.0841995600000000 ] - [ -0.0003177800000000, -0.0009247900000000, -0.0004149200000000 ] - [ -0.0003412700000000, 0.0003021000000000, -0.0003130400000000 ] - [ -0.0003217100000000, -0.0003966300000000, -0.0003612800000000 ] - [ 0.0001398500000000, -0.0003239700000000, 0.0015004900000000 ] - [ -0.0001331500000000, -0.0000182800000000, -0.0002424700000000 ] - [ 0.0001532300000000, 0.0002013000000000, -0.0006736600000000 ] - [ -0.0002035800000000, -0.0004961800000000, 0.0005504700000000 ] - [ -0.0000732000000000, 0.0001506700000000, -0.0004897900000000 ] - [ -0.0004023800000000, -0.0006188200000000, -0.0000204000000000 ] - [ -0.0013343900000000, -0.0002238100000000, -0.0004730400000000 ] - [ -0.0006437100000000, -0.0006792900000000, 0.0000286900000000 ] - [ -0.0005405400000000, 0.0005303700000000, 0.0003582800000000 ] - [ -0.0005012200000000, -0.0000695700000000, -0.0006815300000000 ] - [ -0.0000642000000000, -0.0002660500000000, -0.0013359900000000 ] - [ -0.0000071100000000, 0.0003056300000000, 0.0000041700000000 ] - [ 0.0005045700000000, -0.0006880300000000, 0.0000231000000000 ] - [ -0.0007403100000000, 0.0002941400000000, 0.0005609100000000 ] - [ 0.0006487700000000, -0.0008233200000000, -0.0003323000000000 ] - [ 0.0005662100000000, 0.0002480300000000, 0.0005740800000000 ] - [ 0.0000179700000000, 0.0009611300000000, -0.0000632300000000 ] - [ -0.0003285500000000, -0.0004334900000000, -0.0005635400000000 ] - [ -0.0009097600000000, 0.0009685400000000, -0.0009603200000000 ] - [ -0.0000205000000000, -0.0004356200000000, -0.0001808600000000 ] - [ 0.0005543100000000, 0.0007502500000000, 0.0007368900000000 ] - [ 0.0002456900000000, -0.0002511800000000, 0.0002316700000000 ] - [ 0.0003901700000000, 0.0008390700000000, 0.0003318400000000 ] - [ -0.0005818500000000, -0.0012871400000000, 0.0002900500000000 ] - [ -0.0009242200000000, 0.0018962600000000, 0.0002489100000000 ] - [ 0.0002961200000000, -0.0005001800000000, 0.0003681800000000 ] - [ 0.0003820900000000, 0.0007767300000000, 0.0001605500000000 ] - [ 0.0003643800000000, -0.0005442900000000, 0.0003839900000000 ] - [ 0.0017938000000000, -0.0042173600000000, 0.0016143100000000 ] - [ -0.0001041200000000, -0.0017624300000000, -0.0005520800000000 ] - [ -0.0005550200000000, -0.0000530700000000, -0.0002228200000000 ] - [ -0.0002579000000000, -0.0001465700000000, -0.0001321300000000 ] - [ -0.0019484800000000, -0.0007709200000000, 0.0002129100000000 ] - [ 0.0000098100000000, -0.0001062900000000, -0.0000258800000000 ] - [ 0.0003721600000000, 0.0000644800000000, -0.0002681700000000 ] - [ 0.0004223800000000, -0.0003374200000000, 0.0007056300000000 ] - [ 0.0003009300000000, -0.0001941300000000, 0.0001033500000000 ] - [ 0.0005402400000000, 0.0005145000000000, 0.0005128100000000 ] - [ 0.0002782000000000, -0.0002691400000000, 0.0000095900000000 ] - [ -0.0007745300000000, 0.0007753800000000, 0.0010972500000000 ] - [ 0.0012805100000000, 0.0002020300000000, -0.0005278700000000 ] - [ -0.0013186800000000, -0.0012484400000000, 0.0016599100000000 ] - [ 0.0001288600000000, 0.0000952800000000, 0.0007411700000000 ] - [ 0.0004505000000000, 0.0003598000000000, 0.0000608500000000 ] - [ -0.0006140000000000, -0.0005851000000000, -0.0006124300000000 ] - [ -0.0008450500000000, -0.0005856800000000, -0.0004705500000000 ] - [ -0.0000086800000000, 0.0000611300000000, -0.0002690000000000 ] - [ -0.0000700600000000, 0.0000587700000000, -0.0003124100000000 ] - [ -0.0001572800000000, -0.0002225200000000, 0.0000787300000000 ] - [ -0.0013979100000000, 0.0006512800000000, -0.0015521800000000 ] - [ -0.0004281600000000, -0.0002317900000000, -0.0001765800000000 ] - [ -0.0006827500000000, 0.0017945100000000, -0.0002762600000000 ] - [ -0.0005764200000000, -0.0006146200000000, 0.0000698100000000 ] - [ -0.0004480900000000, -0.0001570600000000, -0.0002097200000000 ] - [ -0.0005558600000000, -0.0010810200000000, 0.0001566900000000 ] - [ -0.0133347300000000, -0.0071478400000000, 0.0070034600000000 ] - [ 0.0007740800000000, 0.0022850800000000, -0.0004044200000000 ] - [ -0.0001468700000000, -0.0001095500000000, -0.0003923000000000 ] - [ -0.0016329200000000, 0.0011161600000000, 0.0011944200000000 ] - [ -0.0001558100000000, -0.0000704100000000, -0.0003772800000000 ] - [ 0.0016690600000000, -0.0010226800000000, 0.0030560800000000 ] - [ 0.0012211800000000, -0.0013060800000000, -0.0009748400000000 ] - [ 0.0001432000000000, -0.0000977800000000, 0.0001048600000000 ] - [ 0.0002127500000000, -0.0005095200000000, 0.0003166400000000 ] - [ -0.0001133400000000, -0.0005794700000000, -0.0001681700000000 ] - [ -0.0002630200000000, 0.0006026800000000, -0.0004115300000000 ] - [ 0.0000583100000000, -0.0005797300000000, -0.0003195500000000 ] - [ -0.0007134200000000, 0.0006076700000000, 0.0005834700000000 ] - [ 0.0000948700000000, -0.0002761000000000, 0.0003231700000000 ] - [ -0.0002369300000000, -0.0001304400000000, 0.0000188900000000 ] - [ -0.0000603100000000, -0.0009161500000000, 0.0001365500000000 ] - [ 0.0043300800000000, 0.0018544500000000, 0.0039667600000000 ] - [ 0.0014024300000000, -0.0019089500000000, 0.0013705100000000 ] - [ 0.0000016600000000, -0.0018974600000000, -0.0001395900000000 ] - [ -0.0001400100000000, 0.0000696000000000, 0.0000635500000000 ] - [ 0.0001567600000000, 0.0000659800000000, 0.0003467100000000 ]- atom: 65 displacement: [ -0.0063550541202937, 0.0000000000000000, 0.0077209641320329 ] forces: - [ -0.0009396600000000, 0.0000480300000000, -0.0007092200000000 ] - [ -0.0000784100000000, 0.0000776000000000, -0.0000282400000000 ] - [ 0.0003964300000000, -0.0001466100000000, 0.0002733200000000 ] - [ 0.0001177600000000, 0.0001644000000000, 0.0000028400000000 ] - [ -0.0058649200000000, -0.0033948400000000, 0.0047782700000000 ] - [ -0.0000049900000000, -0.0001072700000000, 0.0001883300000000 ] - [ 0.0001881100000000, -0.0002130000000000, -0.0004587500000000 ] - [ 0.0000503400000000, 0.0000629400000000, -0.0001989300000000 ] - [ 0.0002107700000000, 0.0002520800000000, -0.0002231600000000 ] - [ 0.0003784900000000, -0.0002993800000000, -0.0001966300000000 ] - [ -0.0003034500000000, -0.0007782200000000, -0.0000621600000000 ] - [ -0.0007392700000000, 0.0013126200000000, -0.0008199000000000 ] - [ 0.0001006200000000, 0.0000084900000000, 0.0001545500000000 ] - [ 0.0010810000000000, -0.0000874900000000, 0.0012422500000000 ] - [ -0.0000581100000000, 0.0000507200000000, -0.0001352900000000 ] - [ -0.0002474900000000, -0.0001007900000000, -0.0007827500000000 ] - [ 0.0000422700000000, -0.0000175200000000, 0.0000175400000000 ] - [ 0.0000845400000000, -0.0000049300000000, 0.0001563500000000 ] - [ 0.0000775400000000, 0.0000014200000000, 0.0003639000000000 ] - [ -0.0000803000000000, 0.0001533200000000, 0.0001331700000000 ] - [ -0.0000513300000000, 0.0001527800000000, -0.0000321600000000 ] - [ 0.0010224300000000, -0.0006694300000000, 0.0004813100000000 ] - [ -0.0001508900000000, 0.0000385400000000, -0.0002522500000000 ] - [ -0.0003808200000000, 0.0001557200000000, -0.0014415000000000 ] - [ 0.0011584900000000, 0.0001169900000000, 0.0008448600000000 ] - [ 0.0003646500000000, 0.0000161100000000, 0.0004452200000000 ] - [ -0.0002213000000000, -0.0000851000000000, -0.0003009400000000 ] - [ -0.0001493400000000, 0.0000830200000000, -0.0002115600000000 ] - [ 0.0000901000000000, 0.0000717300000000, -0.0003083000000000 ] - [ -0.0000372600000000, 0.0000711100000000, -0.0001905700000000 ] - [ -0.0046135200000000, 0.0001111700000000, 0.0027915400000000 ] - [ -0.0001008000000000, 0.0000345800000000, -0.0000919300000000 ] - [ 0.0013876700000000, -0.0023912500000000, -0.0012798100000000 ] - [ 0.0000163100000000, 0.0001157200000000, 0.0001140900000000 ] - [ 0.0013845000000000, 0.0004113000000000, -0.0007131900000000 ] - [ 0.0001016800000000, 0.0000108300000000, 0.0001495700000000 ] - [ -0.0016832500000000, 0.0004534700000000, 0.0019368300000000 ] - [ -0.0002786200000000, 0.0000810100000000, 0.0002518600000000 ] - [ 0.0000486400000000, -0.0000972500000000, -0.0003847800000000 ] - [ -0.0000736300000000, -0.0000640400000000, -0.0003516900000000 ] - [ 0.0000236200000000, 0.0000356800000000, 0.0002783700000000 ] - [ -0.0143433000000000, 0.0387852100000000, 0.0485205400000000 ] - [ 0.0001630400000000, 0.0000972600000000, 0.0000072100000000 ] - [ 0.0003850800000000, 0.0003171600000000, -0.0003816500000000 ] - [ -0.0003915800000000, 0.0004357900000000, -0.0008752700000000 ] - [ -0.0002762500000000, -0.0003330800000000, -0.0003254000000000 ] - [ 0.0006181700000000, -0.0005083100000000, 0.0001074900000000 ] - [ 0.0005478400000000, 0.0004902100000000, -0.0007457900000000 ] - [ -0.0007705600000000, -0.0000989400000000, -0.0004931400000000 ] - [ -0.0003056700000000, -0.0001547100000000, -0.0002223400000000 ] - [ 0.0002424900000000, 0.0000944100000000, 0.0004739400000000 ] - [ -0.0001799600000000, -0.0000784100000000, -0.0000794700000000 ] - [ 0.0053498400000000, -0.0030543900000000, -0.0047740200000000 ] - [ 0.0002309600000000, -0.0000929000000000, 0.0000903300000000 ] - [ 0.0003076500000000, -0.0001410900000000, 0.0003694000000000 ] - [ 0.0002489700000000, -0.0001213300000000, 0.0002099600000000 ] - [ 0.0002546300000000, 0.0001151400000000, 0.0002658600000000 ] - [ 0.0001748700000000, 0.0001001100000000, 0.0001573600000000 ] - [ 0.0005242800000000, 0.0001535800000000, -0.0004251600000000 ] - [ 0.0003815200000000, -0.0000045000000000, 0.0000891800000000 ] - [ -0.0007224600000000, 0.0011994600000000, -0.0028079300000000 ] - [ 0.0003813500000000, 0.0003281200000000, 0.0001055700000000 ] - [ 0.0002794700000000, 0.0003331400000000, 0.0003665300000000 ] - [ 0.0003370000000000, 0.0003035400000000, 0.0002092800000000 ] - [ 0.0215462700000000, -0.0116007700000000, -0.0396783400000000 ] - [ -0.0001609400000000, -0.0000129400000000, -0.0003600800000000 ] - [ -0.0003123000000000, -0.0001059900000000, -0.0002408500000000 ] - [ -0.0002269300000000, -0.0000563000000000, -0.0002988700000000 ] - [ -0.0000086500000000, -0.0002938700000000, 0.0005592000000000 ] - [ -0.0001901100000000, 0.0001840000000000, -0.0000984300000000 ] - [ -0.0007516500000000, 0.0004920500000000, -0.0000612200000000 ] - [ -0.0002688400000000, -0.0000939500000000, 0.0000677800000000 ] - [ -0.0003443200000000, -0.0003494900000000, 0.0000404400000000 ] - [ -0.0003813600000000, -0.0004029300000000, -0.0000121600000000 ] - [ -0.0007898300000000, -0.0003476100000000, -0.0005051500000000 ] - [ -0.0003897300000000, -0.0003342800000000, -0.0002424200000000 ] - [ -0.0004509400000000, 0.0003283700000000, -0.0000981300000000 ] - [ -0.0004082000000000, 0.0003106000000000, -0.0002309200000000 ] - [ -0.0003070400000000, 0.0003322300000000, -0.0002058400000000 ] - [ -0.0002024400000000, 0.0003076900000000, -0.0000954100000000 ] - [ 0.0003646700000000, -0.0004264100000000, 0.0001007300000000 ] - [ -0.0000957900000000, -0.0001389000000000, 0.0002158000000000 ] - [ 0.0004075500000000, -0.0003211100000000, 0.0001913800000000 ] - [ 0.0004593700000000, -0.0004510600000000, 0.0007918200000000 ] - [ -0.0001077300000000, -0.0000296600000000, -0.0003343400000000 ] - [ -0.0001868000000000, 0.0000023700000000, -0.0003272600000000 ] - [ -0.0001519100000000, 0.0000725500000000, -0.0003706200000000 ] - [ -0.0001400500000000, -0.0000981800000000, -0.0002882800000000 ] - [ 0.0003599900000000, -0.0000856500000000, 0.0005649700000000 ] - [ 0.0002669400000000, 0.0001086800000000, 0.0004030700000000 ] - [ -0.0002500400000000, 0.0001221100000000, 0.0002656500000000 ] - [ -0.0001710700000000, -0.0004676600000000, 0.0002975700000000 ] - [ -0.0005530900000000, 0.0006573100000000, 0.0000402900000000 ] - [ 0.0001762400000000, -0.0000348300000000, 0.0002984600000000 ] - [ 0.0002118800000000, -0.0002487200000000, 0.0010288600000000 ] - [ 0.0002209500000000, -0.0000658600000000, 0.0003671100000000 ] - [ 0.0002973600000000, -0.0002765700000000, -0.0008478500000000 ] - [ -0.0000267300000000, -0.0000465600000000, -0.0005465900000000 ] - [ -0.0002737500000000, -0.0000451200000000, -0.0000239000000000 ] - [ -0.0002143100000000, -0.0000320500000000, -0.0000054100000000 ] - [ -0.0010838100000000, -0.0004213900000000, 0.0000452600000000 ] - [ 0.0000463400000000, 0.0000333300000000, -0.0000399300000000 ] - [ 0.0004195600000000, -0.0000752300000000, 0.0003810100000000 ] - [ 0.0003962300000000, -0.0002331600000000, 0.0004690600000000 ] - [ 0.0002813400000000, 0.0000535100000000, 0.0001823300000000 ] - [ 0.0010103100000000, 0.0008503000000000, 0.0016232500000000 ] - [ 0.0002087400000000, 0.0000635600000000, 0.0001098000000000 ] - [ -0.0000623000000000, 0.0000043700000000, 0.0001836000000000 ] - [ 0.0003315200000000, 0.0006546400000000, -0.0001155800000000 ] - [ -0.0003508800000000, -0.0003282100000000, 0.0005904400000000 ] - [ 0.0002128400000000, 0.0001391800000000, 0.0005368100000000 ] - [ 0.0003792200000000, 0.0004522800000000, 0.0002534200000000 ] - [ -0.0005410500000000, -0.0003067400000000, -0.0006123400000000 ] - [ -0.0003483800000000, -0.0000504500000000, -0.0004527500000000 ] - [ -0.0000603400000000, 0.0000674800000000, -0.0001700900000000 ] - [ -0.0000628400000000, 0.0000730100000000, -0.0001719000000000 ] - [ -0.0002349700000000, 0.0000580500000000, -0.0001330300000000 ] - [ -0.0002052000000000, 0.0001210500000000, -0.0001613400000000 ] - [ -0.0002598200000000, 0.0000613800000000, -0.0001548400000000 ] - [ 0.0007300600000000, -0.0003249300000000, -0.0004031400000000 ] - [ -0.0004403200000000, -0.0004113500000000, -0.0000383200000000 ] - [ -0.0007755500000000, -0.0003511700000000, 0.0003943000000000 ] - [ -0.0003222300000000, -0.0003180100000000, -0.0002510300000000 ] - [ -0.0016659000000000, -0.0217650700000000, -0.0128619400000000 ] - [ -0.0028890400000000, 0.0025450800000000, 0.0043756200000000 ] - [ -0.0003138600000000, 0.0003051300000000, -0.0002018400000000 ] - [ -0.0008399300000000, 0.0004050000000000, 0.0002705000000000 ] - [ -0.0004031800000000, 0.0003228600000000, -0.0001067700000000 ] - [ 0.0015876000000000, -0.0014861800000000, 0.0002673400000000 ] - [ 0.0004658600000000, -0.0003433100000000, 0.0000289100000000 ] - [ 0.0001984800000000, -0.0002956600000000, 0.0002956200000000 ] - [ 0.0002692800000000, -0.0003435900000000, 0.0002808400000000 ] - [ -0.0001730300000000, -0.0001547400000000, -0.0002831000000000 ] - [ -0.0006902700000000, 0.0010439500000000, -0.0005837300000000 ] - [ -0.0002047100000000, 0.0000705000000000, -0.0003096200000000 ] - [ -0.0003761100000000, -0.0000187700000000, -0.0003194400000000 ] - [ 0.0001521800000000, -0.0000596400000000, 0.0003380400000000 ] - [ 0.0000973700000000, -0.0000370900000000, 0.0003503800000000 ] - [ 0.0002350100000000, -0.0000159500000000, 0.0002682900000000 ] - [ 0.0012782400000000, -0.0001724000000000, -0.0005302100000000 ] - [ 0.0005466000000000, -0.0002396500000000, 0.0001709800000000 ] - [ 0.0004632300000000, 0.0000289800000000, 0.0001022200000000 ] - [ 0.0001504000000000, 0.0000390100000000, 0.0003576200000000 ] - [ 0.0001907000000000, 0.0000087600000000, 0.0003912600000000 ]- atom: 65 displacement: [ 0.0063550541202937, 0.0000000000000000, -0.0077209641320329 ] forces: - [ 0.0009206200000000, 0.0000044900000000, 0.0007403700000000 ] - [ 0.0000771500000000, -0.0000049700000000, 0.0000299500000000 ] - [ -0.0003903200000000, 0.0002103600000000, -0.0002726700000000 ] - [ -0.0001163200000000, -0.0000917100000000, -0.0000031300000000 ] - [ 0.0056600100000000, 0.0031205900000000, -0.0047047800000000 ] - [ 0.0000017100000000, 0.0000424300000000, -0.0001873700000000 ] - [ -0.0001876000000000, 0.0001405400000000, 0.0004606200000000 ] - [ -0.0000492600000000, -0.0001298500000000, 0.0001978600000000 ] - [ -0.0002076200000000, -0.0001812000000000, 0.0002214100000000 ] - [ -0.0003718500000000, 0.0003653100000000, 0.0001956800000000 ] - [ 0.0002990800000000, 0.0008536400000000, 0.0000661900000000 ] - [ 0.0007302400000000, -0.0012331400000000, 0.0008035800000000 ] - [ -0.0001007100000000, -0.0000739300000000, -0.0001555500000000 ] - [ -0.0010406300000000, 0.0000359900000000, -0.0012431600000000 ] - [ 0.0000588400000000, -0.0001155900000000, 0.0001365300000000 ] - [ 0.0002463800000000, 0.0000283800000000, 0.0007782900000000 ] - [ 0.0001409300000000, -0.0000060400000000, 0.0002516500000000 ] - [ 0.0000985100000000, -0.0000091700000000, 0.0001191200000000 ] - [ 0.0001113500000000, -0.0000196600000000, -0.0000787700000000 ] - [ 0.0002584900000000, -0.0001691300000000, 0.0001342100000000 ] - [ -0.0001299000000000, -0.0001316700000000, -0.0002380100000000 ] - [ -0.0011878700000000, 0.0006765800000000, -0.0007459200000000 ] - [ -0.0000315100000000, -0.0000187300000000, -0.0000164300000000 ] - [ 0.0001988200000000, -0.0001417100000000, 0.0011740500000000 ] - [ -0.0009673500000000, -0.0000956400000000, -0.0005748500000000 ] - [ -0.0001781400000000, 0.0000058300000000, -0.0001722800000000 ] - [ 0.0003982300000000, 0.0001008300000000, 0.0005747300000000 ] - [ 0.0003282400000000, -0.0000648500000000, 0.0004792900000000 ] - [ -0.0002599900000000, -0.0000943300000000, 0.0000501400000000 ] - [ -0.0001438600000000, -0.0000876700000000, -0.0000797300000000 ] - [ 0.0044356400000000, -0.0001851800000000, -0.0030526500000000 ] - [ -0.0000787600000000, -0.0000472000000000, -0.0001786500000000 ] - [ -0.0012079300000000, 0.0023406300000000, 0.0015617900000000 ] - [ 0.0001641600000000, -0.0001311000000000, 0.0001563700000000 ] - [ -0.0012003300000000, -0.0004474000000000, 0.0009688600000000 ] - [ 0.0000782700000000, -0.0000255900000000, 0.0001201500000000 ] - [ 0.0014736700000000, -0.0004379200000000, -0.0022292600000000 ] - [ 0.0000911200000000, -0.0000508300000000, -0.0005176800000000 ] - [ -0.0002251300000000, 0.0001141800000000, 0.0001166900000000 ] - [ -0.0001071700000000, 0.0000811900000000, 0.0000797700000000 ] - [ 0.0001580100000000, -0.0000128500000000, -0.0000090100000000 ] - [ 0.0142876700000000, -0.0398761700000000, -0.0490256400000000 ] - [ 0.0000197000000000, -0.0000776700000000, 0.0002630200000000 ] - [ -0.0001981400000000, -0.0002973900000000, 0.0006493100000000 ] - [ 0.0002067800000000, -0.0004506600000000, 0.0005977300000000 ] - [ 0.0000910600000000, 0.0003117100000000, 0.0000572900000000 ] - [ -0.0008010700000000, 0.0004906100000000, -0.0003766300000000 ] - [ -0.0007198900000000, -0.0004992000000000, 0.0004643200000000 ] - [ 0.0002771700000000, -0.0000678200000000, 0.0001982600000000 ] - [ -0.0001796300000000, -0.0000156000000000, -0.0000703500000000 ] - [ -0.0007267600000000, -0.0002632800000000, -0.0007690100000000 ] - [ -0.0003045800000000, -0.0000912400000000, -0.0002137200000000 ] - [ -0.0049196100000000, 0.0028832600000000, 0.0050286700000000 ] - [ 0.0002545900000000, -0.0000779600000000, 0.0002029000000000 ] - [ 0.0001760000000000, -0.0000272500000000, -0.0000763200000000 ] - [ 0.0002352600000000, -0.0000483500000000, 0.0000825500000000 ] - [ 0.0002282500000000, 0.0000546100000000, 0.0000255000000000 ] - [ 0.0003071200000000, 0.0000673700000000, 0.0001325600000000 ] - [ -0.0000493300000000, 0.0000089800000000, 0.0007030100000000 ] - [ 0.0001056900000000, 0.0001721400000000, 0.0002040400000000 ] - [ 0.0014536500000000, -0.0004922700000000, 0.0030667700000000 ] - [ 0.0003664900000000, 0.0003637200000000, 0.0001771300000000 ] - [ 0.0004706300000000, 0.0003645400000000, -0.0000906000000000 ] - [ 0.0004114000000000, 0.0003895900000000, 0.0000726400000000 ] - [ -0.0215497900000000, 0.0126540200000000, 0.0396894000000000 ] - [ -0.0002199000000000, -0.0000010600000000, -0.0002875900000000 ] - [ -0.0000711600000000, 0.0000946600000000, -0.0004081500000000 ] - [ -0.0001547200000000, 0.0000441300000000, -0.0003493600000000 ] - [ -0.0004742200000000, 0.0004597000000000, -0.0008449000000000 ] - [ -0.0002950700000000, -0.0000137800000000, -0.0001953000000000 ] - [ 0.0002683400000000, -0.0003236400000000, -0.0002325000000000 ] - [ -0.0002159500000000, 0.0002600100000000, -0.0003561800000000 ] - [ -0.0004020000000000, -0.0003414600000000, -0.0003261000000000 ] - [ -0.0003670000000000, -0.0002919600000000, -0.0002695500000000 ] - [ 0.0000342700000000, -0.0003461600000000, 0.0002223200000000 ] - [ -0.0003608200000000, -0.0003617500000000, -0.0000384800000000 ] - [ -0.0003002800000000, 0.0003686800000000, -0.0001804400000000 ] - [ -0.0003418100000000, 0.0003819900000000, -0.0000539500000000 ] - [ -0.0004380200000000, 0.0003586300000000, -0.0000847200000000 ] - [ -0.0005455500000000, 0.0003879800000000, -0.0001838700000000 ] - [ 0.0003838100000000, -0.0002698100000000, 0.0001809800000000 ] - [ 0.0008361900000000, -0.0005530200000000, 0.0000675300000000 ] - [ 0.0003426900000000, -0.0003757200000000, 0.0000880700000000 ] - [ 0.0002905300000000, -0.0002410300000000, -0.0005108900000000 ] - [ -0.0002746800000000, 0.0000481600000000, -0.0003145000000000 ] - [ -0.0001948100000000, 0.0000054400000000, -0.0003206800000000 ] - [ -0.0002330600000000, -0.0000558500000000, -0.0002802100000000 ] - [ -0.0002403600000000, 0.0001071000000000, -0.0003585900000000 ] - [ 0.0000241900000000, 0.0000982200000000, 0.0000848300000000 ] - [ 0.0001150000000000, -0.0000970900000000, 0.0002447700000000 ] - [ 0.0006307000000000, -0.0001095200000000, 0.0003820700000000 ] - [ 0.0005480200000000, 0.0004721400000000, 0.0003499700000000 ] - [ 0.0009248300000000, -0.0006567400000000, 0.0006033800000000 ] - [ 0.0002049600000000, 0.0000221900000000, 0.0003490500000000 ] - [ 0.0001705600000000, 0.0002412600000000, -0.0003842900000000 ] - [ 0.0001610800000000, 0.0000524500000000, 0.0002813000000000 ] - [ -0.0007634500000000, 0.0000937200000000, 0.0005651000000000 ] - [ -0.0004561300000000, -0.0001271300000000, 0.0002531400000000 ] - [ -0.0002134900000000, -0.0001239700000000, -0.0002695000000000 ] - [ -0.0002706300000000, -0.0001369100000000, -0.0002863600000000 ] - [ 0.0015587700000000, 0.0002484700000000, 0.0002496200000000 ] - [ 0.0004364600000000, -0.0002015900000000, 0.0003305400000000 ] - [ 0.0000665300000000, -0.0000933300000000, -0.0000903200000000 ] - [ 0.0000902500000000, 0.0000631400000000, -0.0001735700000000 ] - [ 0.0002041900000000, 0.0001148100000000, 0.0001100100000000 ] - [ -0.0005117500000000, -0.0006687100000000, -0.0013117000000000 ] - [ 0.0002763700000000, 0.0001043200000000, 0.0001826800000000 ] - [ 0.0005437600000000, 0.0001692400000000, 0.0001156700000000 ] - [ 0.0004191600000000, 0.0000394600000000, 0.0003960400000000 ] - [ 0.0010895200000000, 0.0010121700000000, -0.0002989200000000 ] - [ 0.0005352200000000, 0.0005534200000000, -0.0002528200000000 ] - [ 0.0003695000000000, 0.0002431600000000, 0.0000287700000000 ] - [ 0.0001573600000000, 0.0002924900000000, -0.0000364700000000 ] - [ -0.0000373500000000, 0.0000351400000000, -0.0001958000000000 ] - [ -0.0003189000000000, -0.0000773300000000, -0.0004770800000000 ] - [ -0.0003164900000000, -0.0000820300000000, -0.0004750300000000 ] - [ -0.0002503700000000, 0.0001104500000000, -0.0001595100000000 ] - [ -0.0002934200000000, 0.0000527600000000, -0.0001450500000000 ] - [ -0.0002256900000000, 0.0001059500000000, -0.0001375800000000 ] - [ -0.0012191400000000, 0.0005035300000000, 0.0001075700000000 ] - [ -0.0003095400000000, -0.0002836400000000, -0.0002425800000000 ] - [ 0.0000221200000000, -0.0003417700000000, -0.0006716500000000 ] - [ -0.0004273800000000, -0.0003786800000000, -0.0000287800000000 ] - [ 0.0010832300000000, 0.0213407800000000, 0.0125449600000000 ] - [ 0.0021020100000000, -0.0018076000000000, -0.0045636800000000 ] - [ -0.0004333400000000, 0.0003882800000000, -0.0000816600000000 ] - [ 0.0000866400000000, 0.0002944000000000, -0.0005464700000000 ] - [ -0.0003453300000000, 0.0003709000000000, -0.0001752400000000 ] - [ -0.0008294400000000, 0.0007892000000000, 0.0000266800000000 ] - [ 0.0002886600000000, -0.0003567000000000, 0.0002461500000000 ] - [ 0.0005484900000000, -0.0003985100000000, -0.0000140200000000 ] - [ 0.0004780200000000, -0.0003521700000000, 0.0000021300000000 ] - [ -0.0002076000000000, 0.0001625500000000, -0.0003629000000000 ] - [ 0.0003066400000000, -0.0010187700000000, -0.0000716300000000 ] - [ -0.0001753900000000, -0.0000625900000000, -0.0003367900000000 ] - [ -0.0000068800000000, 0.0000335300000000, -0.0003235600000000 ] - [ 0.0002279200000000, 0.0000686300000000, 0.0003083200000000 ] - [ 0.0002775300000000, 0.0000437300000000, 0.0002928800000000 ] - [ 0.0001454900000000, 0.0000232500000000, 0.0003793000000000 ] - [ -0.0008772200000000, 0.0001929800000000, 0.0011955700000000 ] - [ -0.0001589300000000, 0.0002253200000000, 0.0004802200000000 ] - [ -0.0000797100000000, -0.0000516200000000, 0.0005457400000000 ] - [ 0.0002284200000000, -0.0000487900000000, 0.0002875500000000 ] - [ 0.0001896900000000, -0.0000177200000000, 0.0002557700000000 ]