# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/82ddf854-94c8-41ac-ae97-c998448496d4/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 SiO2 / Cmcm (63) / materials id 600004](https://mdr.nims.go.jp/datasets/e8933641-5b94-4d01-bb78-583f1b4aa8cd) ## 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: "Cmcm" number: 63 Hall_symbol: "-C 2c 2"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 3.770167015000000, -8.135224170000001, 0.000000000000000 ] # a - [ 3.770167015000000, 8.135224170000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.255669740000000 ] # c points: - symbol: Si # 1 coordinates: [ 0.510305560000000, 0.902606200000000, 0.250000000000000 ] mass: 28.085500 - symbol: Si # 2 coordinates: [ 0.902606200000000, 0.510305560000000, 0.750000000000000 ] mass: 28.085500 - symbol: Si # 3 coordinates: [ 0.097393800000000, 0.489694440000000, 0.250000000000000 ] mass: 28.085500 - symbol: Si # 4 coordinates: [ 0.489694440000000, 0.097393800000000, 0.750000000000000 ] mass: 28.085500 - symbol: Si # 5 coordinates: [ 0.943050260000000, 0.056949740000000, 0.250000000000000 ] mass: 28.085500 - symbol: Si # 6 coordinates: [ 0.056949740000000, 0.943050260000000, 0.750000000000000 ] mass: 28.085500 - symbol: O # 7 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 10 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 11 coordinates: [ 0.710124800000000, 0.936550580000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.936550580000000, 0.710124800000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.063449420000000, 0.289875200000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.289875200000000, 0.063449420000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.330601760000000, 0.669398240000000, 0.250000000000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.669398240000000, 0.330601760000000, 0.750000000000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.132620119482956, -0.061461121359610, 0.000000000000000 ] # a* - [ 0.132620119482956, 0.061461121359610, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.190270707534983 ] # c*unit_cell: lattice: - [ 7.540334030000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 16.270448340000002, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 5.255669740000000 ] # c points: - symbol: Si # 1 coordinates: [ 0.706455880000000, 0.196150320000000, 0.250000000000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 2 coordinates: [ 0.206455880000000, 0.303849680000000, 0.750000000000000 ] mass: 28.085500 reduced_to: 2 - symbol: Si # 3 coordinates: [ 0.293544120000000, 0.196150320000000, 0.250000000000000 ] mass: 28.085500 reduced_to: 3 - symbol: Si # 4 coordinates: [ 0.793544120000000, 0.303849680000000, 0.750000000000000 ] mass: 28.085500 reduced_to: 4 - symbol: Si # 5 coordinates: [ 0.000000000000000, 0.056949740000000, 0.250000000000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 6 coordinates: [ 0.500000000000000, 0.443050260000000, 0.750000000000000 ] mass: 28.085500 reduced_to: 6 - symbol: Si # 7 coordinates: [ 0.206455880000000, 0.696150320000000, 0.250000000000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 8 coordinates: [ 0.706455880000000, 0.803849680000000, 0.750000000000000 ] mass: 28.085500 reduced_to: 2 - symbol: Si # 9 coordinates: [ 0.793544120000000, 0.696150320000000, 0.250000000000000 ] mass: 28.085500 reduced_to: 3 - symbol: Si # 10 coordinates: [ 0.293544120000000, 0.803849680000000, 0.750000000000000 ] mass: 28.085500 reduced_to: 4 - symbol: Si # 11 coordinates: [ 0.500000000000000, 0.556949740000000, 0.250000000000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 12 coordinates: [ 0.000000000000000, 0.943050260000000, 0.750000000000000 ] mass: 28.085500 reduced_to: 6 - symbol: O # 13 coordinates: [ 0.750000000000000, 0.250000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 14 coordinates: [ 0.250000000000000, 0.250000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 15 coordinates: [ 0.250000000000000, 0.250000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 16 coordinates: [ 0.750000000000000, 0.250000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.823337690000000, 0.113212890000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.323337690000000, 0.386787110000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.176662310000000, 0.113212890000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.676662310000000, 0.386787110000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.500000000000000, 0.169398240000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.000000000000000, 0.330601760000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.250000000000000, 0.750000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 13 - symbol: O # 26 coordinates: [ 0.750000000000000, 0.750000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 14 - symbol: O # 27 coordinates: [ 0.750000000000000, 0.750000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 15 - symbol: O # 28 coordinates: [ 0.250000000000000, 0.750000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 16 - symbol: O # 29 coordinates: [ 0.323337690000000, 0.613212890000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 30 coordinates: [ 0.823337690000000, 0.886787110000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 31 coordinates: [ 0.676662310000000, 0.613212890000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 32 coordinates: [ 0.176662310000000, 0.886787110000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 33 coordinates: [ 0.000000000000000, 0.669398240000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 34 coordinates: [ 0.500000000000000, 0.830601760000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 35 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 36 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 24supercell: lattice: - [ 15.080668060000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 16.270448340000002, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 10.511339480000000 ] # c points: - symbol: Si # 1 coordinates: [ 0.353227940000000, 0.196150320000000, 0.125000000000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 2 coordinates: [ 0.853227940000000, 0.196150320000000, 0.125000000000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 3 coordinates: [ 0.353227940000000, 0.196150320000000, 0.625000000000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 4 coordinates: [ 0.853227940000000, 0.196150320000000, 0.625000000000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 5 coordinates: [ 0.103227940000000, 0.303849680000000, 0.375000000000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 6 coordinates: [ 0.603227940000000, 0.303849680000000, 0.375000000000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 7 coordinates: [ 0.103227940000000, 0.303849680000000, 0.875000000000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 8 coordinates: [ 0.603227940000000, 0.303849680000000, 0.875000000000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 9 coordinates: [ 0.146772060000000, 0.196150320000000, 0.125000000000000 ] mass: 28.085500 reduced_to: 9 - symbol: Si # 10 coordinates: [ 0.646772060000000, 0.196150320000000, 0.125000000000000 ] mass: 28.085500 reduced_to: 9 - symbol: Si # 11 coordinates: [ 0.146772060000000, 0.196150320000000, 0.625000000000000 ] mass: 28.085500 reduced_to: 9 - symbol: Si # 12 coordinates: [ 0.646772060000000, 0.196150320000000, 0.625000000000000 ] mass: 28.085500 reduced_to: 9 - symbol: Si # 13 coordinates: [ 0.396772060000000, 0.303849680000000, 0.375000000000000 ] mass: 28.085500 reduced_to: 13 - symbol: Si # 14 coordinates: [ 0.896772060000000, 0.303849680000000, 0.375000000000000 ] mass: 28.085500 reduced_to: 13 - symbol: Si # 15 coordinates: [ 0.396772060000000, 0.303849680000000, 0.875000000000000 ] mass: 28.085500 reduced_to: 13 - symbol: Si # 16 coordinates: [ 0.896772060000000, 0.303849680000000, 0.875000000000000 ] mass: 28.085500 reduced_to: 13 - symbol: Si # 17 coordinates: [ 0.000000000000000, 0.056949740000000, 0.125000000000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 18 coordinates: [ 0.500000000000000, 0.056949740000000, 0.125000000000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 19 coordinates: [ 0.000000000000000, 0.056949740000000, 0.625000000000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 20 coordinates: [ 0.500000000000000, 0.056949740000000, 0.625000000000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 21 coordinates: [ 0.250000000000000, 0.443050260000000, 0.375000000000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 22 coordinates: [ 0.750000000000000, 0.443050260000000, 0.375000000000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 23 coordinates: [ 0.250000000000000, 0.443050260000000, 0.875000000000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 24 coordinates: [ 0.750000000000000, 0.443050260000000, 0.875000000000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 25 coordinates: [ 0.103227940000000, 0.696150320000000, 0.125000000000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 26 coordinates: [ 0.603227940000000, 0.696150320000000, 0.125000000000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 27 coordinates: [ 0.103227940000000, 0.696150320000000, 0.625000000000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 28 coordinates: [ 0.603227940000000, 0.696150320000000, 0.625000000000000 ] mass: 28.085500 reduced_to: 1 - symbol: Si # 29 coordinates: [ 0.353227940000000, 0.803849680000000, 0.375000000000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 30 coordinates: [ 0.853227940000000, 0.803849680000000, 0.375000000000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 31 coordinates: [ 0.353227940000000, 0.803849680000000, 0.875000000000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 32 coordinates: [ 0.853227940000000, 0.803849680000000, 0.875000000000000 ] mass: 28.085500 reduced_to: 5 - symbol: Si # 33 coordinates: [ 0.396772060000000, 0.696150320000000, 0.125000000000000 ] mass: 28.085500 reduced_to: 9 - symbol: Si # 34 coordinates: [ 0.896772060000000, 0.696150320000000, 0.125000000000000 ] mass: 28.085500 reduced_to: 9 - symbol: Si # 35 coordinates: [ 0.396772060000000, 0.696150320000000, 0.625000000000000 ] mass: 28.085500 reduced_to: 9 - symbol: Si # 36 coordinates: [ 0.896772060000000, 0.696150320000000, 0.625000000000000 ] mass: 28.085500 reduced_to: 9 - symbol: Si # 37 coordinates: [ 0.146772060000000, 0.803849680000000, 0.375000000000000 ] mass: 28.085500 reduced_to: 13 - symbol: Si # 38 coordinates: [ 0.646772060000000, 0.803849680000000, 0.375000000000000 ] mass: 28.085500 reduced_to: 13 - symbol: Si # 39 coordinates: [ 0.146772060000000, 0.803849680000000, 0.875000000000000 ] mass: 28.085500 reduced_to: 13 - symbol: Si # 40 coordinates: [ 0.646772060000000, 0.803849680000000, 0.875000000000000 ] mass: 28.085500 reduced_to: 13 - symbol: Si # 41 coordinates: [ 0.250000000000000, 0.556949740000000, 0.125000000000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 42 coordinates: [ 0.750000000000000, 0.556949740000000, 0.125000000000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 43 coordinates: [ 0.250000000000000, 0.556949740000000, 0.625000000000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 44 coordinates: [ 0.750000000000000, 0.556949740000000, 0.625000000000000 ] mass: 28.085500 reduced_to: 17 - symbol: Si # 45 coordinates: [ 0.000000000000000, 0.943050260000000, 0.375000000000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 46 coordinates: [ 0.500000000000000, 0.943050260000000, 0.375000000000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 47 coordinates: [ 0.000000000000000, 0.943050260000000, 0.875000000000000 ] mass: 28.085500 reduced_to: 21 - symbol: Si # 48 coordinates: [ 0.500000000000000, 0.943050260000000, 0.875000000000000 ] mass: 28.085500 reduced_to: 21 - symbol: O # 49 coordinates: [ 0.375000000000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.875000000000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.375000000000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.875000000000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.125000000000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.625000000000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.125000000000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 56 coordinates: [ 0.625000000000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 57 coordinates: [ 0.125000000000000, 0.250000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.625000000000000, 0.250000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.125000000000000, 0.250000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.625000000000000, 0.250000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.375000000000000, 0.250000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.875000000000000, 0.250000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.375000000000000, 0.250000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 64 coordinates: [ 0.875000000000000, 0.250000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.411668845000000, 0.113212890000000, 0.125000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.911668845000000, 0.113212890000000, 0.125000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.411668845000000, 0.113212890000000, 0.625000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.911668845000000, 0.113212890000000, 0.625000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.161668845000000, 0.386787110000000, 0.375000000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.661668845000000, 0.386787110000000, 0.375000000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.161668845000000, 0.386787110000000, 0.875000000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.661668845000000, 0.386787110000000, 0.875000000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.088331155000000, 0.113212890000000, 0.125000000000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.588331155000000, 0.113212890000000, 0.125000000000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.088331155000000, 0.113212890000000, 0.625000000000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.588331155000000, 0.113212890000000, 0.625000000000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.338331155000000, 0.386787110000000, 0.375000000000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.838331155000000, 0.386787110000000, 0.375000000000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.338331155000000, 0.386787110000000, 0.875000000000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.838331155000000, 0.386787110000000, 0.875000000000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 81 coordinates: [ 0.250000000000000, 0.169398240000000, 0.125000000000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.750000000000000, 0.169398240000000, 0.125000000000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.250000000000000, 0.169398240000000, 0.625000000000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.750000000000000, 0.169398240000000, 0.625000000000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.000000000000000, 0.330601760000000, 0.375000000000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.500000000000000, 0.330601760000000, 0.375000000000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.000000000000000, 0.330601760000000, 0.875000000000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.500000000000000, 0.330601760000000, 0.875000000000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 96 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 97 coordinates: [ 0.125000000000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 98 coordinates: [ 0.625000000000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 99 coordinates: [ 0.125000000000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 100 coordinates: [ 0.625000000000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 101 coordinates: [ 0.375000000000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 102 coordinates: [ 0.875000000000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 103 coordinates: [ 0.375000000000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 104 coordinates: [ 0.875000000000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 105 coordinates: [ 0.375000000000000, 0.750000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 106 coordinates: [ 0.875000000000000, 0.750000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 107 coordinates: [ 0.375000000000000, 0.750000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 108 coordinates: [ 0.875000000000000, 0.750000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 109 coordinates: [ 0.125000000000000, 0.750000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 110 coordinates: [ 0.625000000000000, 0.750000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 111 coordinates: [ 0.125000000000000, 0.750000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 112 coordinates: [ 0.625000000000000, 0.750000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 113 coordinates: [ 0.161668845000000, 0.613212890000000, 0.125000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 114 coordinates: [ 0.661668845000000, 0.613212890000000, 0.125000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 115 coordinates: [ 0.161668845000000, 0.613212890000000, 0.625000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 116 coordinates: [ 0.661668845000000, 0.613212890000000, 0.625000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 117 coordinates: [ 0.411668845000000, 0.886787110000000, 0.375000000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 118 coordinates: [ 0.911668845000000, 0.886787110000000, 0.375000000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 119 coordinates: [ 0.411668845000000, 0.886787110000000, 0.875000000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 120 coordinates: [ 0.911668845000000, 0.886787110000000, 0.875000000000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 121 coordinates: [ 0.338331155000000, 0.613212890000000, 0.125000000000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 122 coordinates: [ 0.838331155000000, 0.613212890000000, 0.125000000000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 123 coordinates: [ 0.338331155000000, 0.613212890000000, 0.625000000000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 124 coordinates: [ 0.838331155000000, 0.613212890000000, 0.625000000000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 125 coordinates: [ 0.088331155000000, 0.886787110000000, 0.375000000000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 126 coordinates: [ 0.588331155000000, 0.886787110000000, 0.375000000000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 127 coordinates: [ 0.088331155000000, 0.886787110000000, 0.875000000000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 128 coordinates: [ 0.588331155000000, 0.886787110000000, 0.875000000000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 129 coordinates: [ 0.000000000000000, 0.669398240000000, 0.125000000000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 130 coordinates: [ 0.500000000000000, 0.669398240000000, 0.125000000000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 131 coordinates: [ 0.000000000000000, 0.669398240000000, 0.625000000000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 132 coordinates: [ 0.500000000000000, 0.669398240000000, 0.625000000000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 133 coordinates: [ 0.250000000000000, 0.830601760000000, 0.375000000000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 134 coordinates: [ 0.750000000000000, 0.830601760000000, 0.375000000000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 135 coordinates: [ 0.250000000000000, 0.830601760000000, 0.875000000000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 136 coordinates: [ 0.750000000000000, 0.830601760000000, 0.875000000000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 137 coordinates: [ 0.250000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 138 coordinates: [ 0.750000000000000, 0.500000000000000, 0.000000000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 139 coordinates: [ 0.250000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 140 coordinates: [ 0.750000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 141 coordinates: [ 0.250000000000000, 0.500000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 142 coordinates: [ 0.750000000000000, 0.500000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 143 coordinates: [ 0.250000000000000, 0.500000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 144 coordinates: [ 0.750000000000000, 0.500000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 93displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.4814866600000000, 0.0132786500000000, 0.0000000000000000 ] - [ 0.0097905800000000, -0.0012628000000000, 0.0000000000000000 ] - [ -0.0083204800000000, -0.0028470000000000, 0.0000000000000000 ] - [ 0.0047115200000000, 0.0004036400000000, 0.0000000000000000 ] - [ 0.0029586100000000, -0.0113352300000000, -0.0140915000000000 ] - [ 0.0029479100000000, 0.0041582700000000, 0.0044521200000000 ] - [ 0.0029586100000000, -0.0113352300000000, 0.0140915000000000 ] - [ 0.0029479100000000, 0.0041582700000000, -0.0044521200000000 ] - [ 0.0751554100000000, -0.0103254100000000, 0.0000000000000000 ] - [ 0.0145409200000000, 0.0056905600000000, 0.0000000000000000 ] - [ -0.0041708300000000, 0.0032158500000000, 0.0000000000000000 ] - [ 0.0040212400000000, -0.0008938500000000, 0.0000000000000000 ] - [ 0.0002567100000000, 0.0090367600000000, 0.0121743000000000 ] - [ 0.0064887900000000, -0.0002426400000000, -0.0005830400000000 ] - [ 0.0002567100000000, 0.0090367600000000, -0.0121743000000000 ] - [ 0.0064887900000000, -0.0002426400000000, 0.0005830400000000 ] - [ 0.0138331300000000, 0.0091143800000000, 0.0000000000000000 ] - [ 0.0338617400000000, -0.0328698500000000, 0.0000000000000000 ] - [ 0.0026724600000000, 0.0006820600000000, 0.0000000000000000 ] - [ -0.0008350100000000, 0.0017938500000000, 0.0000000000000000 ] - [ -0.0085593000000000, -0.0015016000000000, -0.0010058800000000 ] - [ 0.0041098900000000, 0.0001942300000000, 0.0001084100000000 ] - [ -0.0085593000000000, -0.0015016000000000, 0.0010058800000000 ] - [ 0.0041098900000000, 0.0001942300000000, -0.0001084100000000 ] - [ 0.0001210500000000, 0.0000667700000000, 0.0000000000000000 ] - [ 0.0001156200000000, -0.0011457500000000, 0.0000000000000000 ] - [ 0.0000535900000000, 0.0001093700000000, 0.0000000000000000 ] - [ 0.0000485700000000, -0.0010513100000000, 0.0000000000000000 ] - [ -0.0034966700000000, -0.0017213300000000, 0.0000747400000000 ] - [ 0.0027670700000000, 0.0012432900000000, -0.0000189200000000 ] - [ -0.0034966700000000, -0.0017213300000000, -0.0000747400000000 ] - [ 0.0027670700000000, 0.0012432900000000, 0.0000189200000000 ] - [ -0.0011825100000000, -0.0012554000000000, 0.0000000000000000 ] - [ 0.0010681900000000, 0.0001430500000000, 0.0000000000000000 ] - [ -0.0009747900000000, -0.0010736400000000, 0.0000000000000000 ] - [ 0.0009285100000000, 0.0001285200000000, 0.0000000000000000 ] - [ -0.0021863100000000, 0.0017688900000000, -0.0002495800000000 ] - [ 0.0027308000000000, -0.0020135200000000, 0.0001536700000000 ] - [ -0.0021863100000000, 0.0017688900000000, 0.0002495800000000 ] - [ 0.0027308000000000, -0.0020135200000000, -0.0001536700000000 ] - [ -0.0017870700000000, -0.0013272800000000, 0.0000000000000000 ] - [ 0.0015507100000000, 0.0003002400000000, 0.0000000000000000 ] - [ -0.0014415000000000, -0.0007827500000000, 0.0000000000000000 ] - [ 0.0013709300000000, 0.0002348600000000, 0.0000000000000000 ] - [ 0.0013433400000000, 0.0040772300000000, -0.0026702800000000 ] - [ -0.0008810100000000, -0.0074444300000000, 0.0073850700000000 ] - [ 0.0013433400000000, 0.0040772300000000, 0.0026702800000000 ] - [ -0.0008810100000000, -0.0074444300000000, -0.0073850700000000 ] - [ 0.0396176000000000, 0.0251837200000000, 0.0390566200000000 ] - [ -0.0027535900000000, -0.0001274900000000, -0.0004232000000000 ] - [ 0.0019985200000000, 0.0010847400000000, 0.0044867100000000 ] - [ -0.0018539900000000, -0.0005248200000000, -0.0008518300000000 ] - [ -0.0136041200000000, 0.0129117800000000, 0.0161665400000000 ] - [ -0.0030197300000000, -0.0025957500000000, -0.0026540500000000 ] - [ 0.0007465000000000, -0.0003390100000000, -0.0039548100000000 ] - [ -0.0012296300000000, 0.0001160100000000, 0.0014130700000000 ] - [ -0.0136041200000000, 0.0129117800000000, -0.0161665400000000 ] - [ -0.0030197300000000, -0.0025957500000000, 0.0026540500000000 ] - [ 0.0007465000000000, -0.0003390100000000, 0.0039548100000000 ] - [ -0.0012296300000000, 0.0001160100000000, -0.0014130700000000 ] - [ 0.0396176000000000, 0.0251837200000000, -0.0390566200000000 ] - [ -0.0027535900000000, -0.0001274900000000, 0.0004232000000000 ] - [ 0.0019985200000000, 0.0010847400000000, -0.0044867100000000 ] - [ -0.0018539900000000, -0.0005248200000000, 0.0008518300000000 ] - [ 0.1003770500000000, -0.1120959600000000, 0.0000000000000000 ] - [ -0.0066953400000000, 0.0018082300000000, 0.0000000000000000 ] - [ 0.0021328000000000, -0.0008452700000000, 0.0000000000000000 ] - [ -0.0020041800000000, 0.0006124500000000, 0.0000000000000000 ] - [ 0.0040292400000000, 0.0053100400000000, 0.0019407200000000 ] - [ -0.0026660800000000, -0.0022236500000000, -0.0005398300000000 ] - [ 0.0040292400000000, 0.0053100400000000, -0.0019407200000000 ] - [ -0.0026660800000000, -0.0022236500000000, 0.0005398300000000 ] - [ -0.0187546100000000, -0.0103343700000000, 0.0000000000000000 ] - [ -0.0115544000000000, -0.0018738800000000, 0.0000000000000000 ] - [ -0.0006249100000000, -0.0012971300000000, 0.0000000000000000 ] - [ -0.0007995600000000, -0.0006861100000000, 0.0000000000000000 ] - [ 0.0052765200000000, -0.0060876700000000, -0.0018372800000000 ] - [ -0.0028748500000000, 0.0017313100000000, 0.0000266900000000 ] - [ 0.0052765200000000, -0.0060876700000000, 0.0018372800000000 ] - [ -0.0028748500000000, 0.0017313100000000, -0.0000266900000000 ] - [ 0.2370449600000000, 0.0597176000000000, 0.0000000000000000 ] - [ -0.0084231300000000, 0.0000081900000000, 0.0000000000000000 ] - [ 0.0059081900000000, 0.0007410700000000, 0.0000000000000000 ] - [ -0.0038764700000000, 0.0004749500000000, 0.0000000000000000 ] - [ -0.0055992500000000, 0.0013313100000000, 0.0021020100000000 ] - [ 0.0003964900000000, -0.0013294100000000, -0.0013449900000000 ] - [ -0.0055992500000000, 0.0013313100000000, -0.0021020100000000 ] - [ 0.0003964900000000, -0.0013294100000000, 0.0013449900000000 ] - [ -0.0020674500000000, -0.0037487100000000, -0.0030722200000000 ] - [ -0.0036466600000000, 0.0096728500000000, 0.0086529400000000 ] - [ -0.0006165900000000, -0.0007463900000000, 0.0003701900000000 ] - [ 0.0002492900000000, 0.0001821900000000, -0.0018776800000000 ] - [ -0.0020674500000000, -0.0037487100000000, 0.0030722200000000 ] - [ -0.0036466600000000, 0.0096728500000000, -0.0086529400000000 ] - [ -0.0006165900000000, -0.0007463900000000, -0.0003701900000000 ] - [ 0.0002492900000000, 0.0001821900000000, 0.0018776800000000 ] - [ 0.0002905000000000, -0.0003460100000000, -0.0000524700000000 ] - [ -0.0003603200000000, 0.0006669200000000, 0.0002395400000000 ] - [ 0.0002844900000000, -0.0003667900000000, -0.0002034400000000 ] - [ -0.0003240700000000, 0.0007069900000000, 0.0004027800000000 ] - [ 0.0006594500000000, 0.0005947200000000, 0.0001654800000000 ] - [ -0.0005865500000000, -0.0002139700000000, 0.0000111000000000 ] - [ 0.0006001200000000, 0.0005986000000000, 0.0002675200000000 ] - [ -0.0005492100000000, -0.0002410100000000, -0.0000441000000000 ] - [ 0.0006594500000000, 0.0005947200000000, -0.0001654800000000 ] - [ -0.0005865500000000, -0.0002139700000000, -0.0000111000000000 ] - [ 0.0006001200000000, 0.0005986000000000, -0.0002675200000000 ] - [ -0.0005492100000000, -0.0002410100000000, 0.0000441000000000 ] - [ 0.0002905000000000, -0.0003460100000000, 0.0000524700000000 ] - [ -0.0003603200000000, 0.0006669200000000, -0.0002395400000000 ] - [ 0.0002844900000000, -0.0003667900000000, 0.0002034400000000 ] - [ -0.0003240700000000, 0.0007069900000000, -0.0004027800000000 ] - [ 0.0003191500000000, -0.0000020200000000, 0.0000000000000000 ] - [ -0.0007587900000000, 0.0003640300000000, 0.0000000000000000 ] - [ 0.0003569000000000, -0.0001647400000000, 0.0000000000000000 ] - [ -0.0007045300000000, 0.0003812600000000, 0.0000000000000000 ] - [ 0.0026298600000000, 0.0030770700000000, -0.0008826600000000 ] - [ -0.0020052400000000, -0.0018552800000000, 0.0003443300000000 ] - [ 0.0026298600000000, 0.0030770700000000, 0.0008826600000000 ] - [ -0.0020052400000000, -0.0018552800000000, -0.0003443300000000 ] - [ 0.0013387300000000, 0.0009269700000000, 0.0000000000000000 ] - [ -0.0007823300000000, -0.0005480600000000, 0.0000000000000000 ] - [ 0.0011526200000000, 0.0008042800000000, 0.0000000000000000 ] - [ -0.0007072900000000, -0.0005296400000000, 0.0000000000000000 ] - [ 0.0009953800000000, -0.0017965200000000, 0.0004372600000000 ] - [ -0.0020334300000000, 0.0031528700000000, -0.0010310900000000 ] - [ 0.0009953800000000, -0.0017965200000000, -0.0004372600000000 ] - [ -0.0020334300000000, 0.0031528700000000, 0.0010310900000000 ] - [ -0.0005196200000000, 0.0005631900000000, 0.0000000000000000 ] - [ 0.0004549600000000, 0.0006941500000000, 0.0000000000000000 ] - [ -0.0004382900000000, 0.0005473400000000, 0.0000000000000000 ] - [ 0.0004081800000000, 0.0006778300000000, 0.0000000000000000 ] - [ 0.0022958600000000, -0.0007258800000000, 0.0000766100000000 ] - [ -0.0021978500000000, -0.0003393500000000, -0.0000334500000000 ] - [ 0.0022958600000000, -0.0007258800000000, -0.0000766100000000 ] - [ -0.0021978500000000, -0.0003393500000000, 0.0000334500000000 ] - [ 0.0013643200000000, 0.0007142900000000, 0.0000476300000000 ] - [ -0.0007991700000000, -0.0001087000000000, -0.0000207000000000 ] - [ 0.0013887700000000, 0.0004401000000000, 0.0003404200000000 ] - [ -0.0007626800000000, -0.0001146100000000, -0.0000988600000000 ] - [ 0.0013643200000000, 0.0007142900000000, -0.0000476300000000 ] - [ -0.0007991700000000, -0.0001087000000000, 0.0000207000000000 ] - [ 0.0013887700000000, 0.0004401000000000, -0.0003404200000000 ] - [ -0.0007626800000000, -0.0001146100000000, 0.0000988600000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.4983760500000000, -0.0029127700000000, 0.0000000000000000 ] - [ -0.0097448000000000, 0.0008861500000000, 0.0000000000000000 ] - [ 0.0083371900000000, 0.0025055100000000, 0.0000000000000000 ] - [ -0.0046816700000000, -0.0007835500000000, 0.0000000000000000 ] - [ -0.0029424400000000, 0.0117416000000000, 0.0141546400000000 ] - [ -0.0029525400000000, -0.0037556000000000, -0.0044118500000000 ] - [ -0.0029424400000000, 0.0117416000000000, -0.0141546400000000 ] - [ -0.0029525400000000, -0.0037556000000000, 0.0044118500000000 ] - [ -0.0757512700000000, 0.0097640700000000, 0.0000000000000000 ] - [ -0.0144768800000000, -0.0060524600000000, 0.0000000000000000 ] - [ 0.0041724600000000, -0.0036031900000000, 0.0000000000000000 ] - [ -0.0040315000000000, 0.0005155600000000, 0.0000000000000000 ] - [ -0.0003564300000000, -0.0086450900000000, -0.0121191100000000 ] - [ -0.0065028900000000, 0.0006087000000000, 0.0005884000000000 ] - [ -0.0003564300000000, -0.0086450900000000, 0.0121191100000000 ] - [ -0.0065028900000000, 0.0006087000000000, -0.0005884000000000 ] - [ -0.0138347100000000, -0.0089101200000000, 0.0000000000000000 ] - [ -0.0339412000000000, 0.0328053200000000, 0.0000000000000000 ] - [ -0.0026646800000000, -0.0004688800000000, 0.0000000000000000 ] - [ 0.0008069400000000, -0.0015730600000000, 0.0000000000000000 ] - [ 0.0085941300000000, 0.0012725000000000, 0.0010060800000000 ] - [ -0.0041037800000000, -0.0004042800000000, -0.0001074300000000 ] - [ 0.0085941300000000, 0.0012725000000000, -0.0010060800000000 ] - [ -0.0041037800000000, -0.0004042800000000, 0.0001074300000000 ] - [ -0.0001014100000000, -0.0004341800000000, 0.0000000000000000 ] - [ -0.0001053700000000, 0.0007787000000000, 0.0000000000000000 ] - [ -0.0000330700000000, -0.0004761400000000, 0.0000000000000000 ] - [ -0.0000395600000000, 0.0006837600000000, 0.0000000000000000 ] - [ 0.0035100500000000, 0.0020925700000000, -0.0000768700000000 ] - [ -0.0027480500000000, -0.0008668200000000, 0.0000189300000000 ] - [ 0.0035100500000000, 0.0020925700000000, 0.0000768700000000 ] - [ -0.0027480500000000, -0.0008668200000000, -0.0000189300000000 ] - [ 0.0011664600000000, 0.0008851000000000, 0.0000000000000000 ] - [ -0.0010820500000000, -0.0005068200000000, 0.0000000000000000 ] - [ 0.0009601600000000, 0.0007006200000000, 0.0000000000000000 ] - [ -0.0009438700000000, -0.0004916300000000, 0.0000000000000000 ] - [ 0.0021708800000000, -0.0013907000000000, 0.0002488800000000 ] - [ -0.0027444800000000, 0.0023792400000000, -0.0001535800000000 ] - [ 0.0021708800000000, -0.0013907000000000, -0.0002488800000000 ] - [ -0.0027444800000000, 0.0023792400000000, 0.0001535800000000 ] - [ 0.0017914500000000, 0.0015372700000000, 0.0000000000000000 ] - [ -0.0015525000000000, -0.0000725600000000, 0.0000000000000000 ] - [ 0.0014461900000000, 0.0009930500000000, 0.0000000000000000 ] - [ -0.0013729200000000, -0.0000084300000000, 0.0000000000000000 ] - [ -0.0013402300000000, -0.0042903300000000, 0.0026718200000000 ] - [ 0.0008729900000000, 0.0072297800000000, -0.0073957200000000 ] - [ -0.0013402300000000, -0.0042903300000000, -0.0026718200000000 ] - [ 0.0008729900000000, 0.0072297800000000, 0.0073957200000000 ] - [ -0.0403422100000000, -0.0257002400000000, -0.0397971200000000 ] - [ 0.0027501500000000, 0.0001274100000000, 0.0004201700000000 ] - [ -0.0019928300000000, -0.0010893500000000, -0.0045337500000000 ] - [ 0.0018526600000000, 0.0005274900000000, 0.0008544900000000 ] - [ 0.0136614300000000, -0.0129316100000000, -0.0162142600000000 ] - [ 0.0030021500000000, 0.0025787800000000, 0.0026278700000000 ] - [ -0.0007520000000000, 0.0003451500000000, 0.0039713200000000 ] - [ 0.0012333500000000, -0.0001153500000000, -0.0014043900000000 ] - [ 0.0136614300000000, -0.0129316100000000, 0.0162142600000000 ] - [ 0.0030021500000000, 0.0025787800000000, -0.0026278700000000 ] - [ -0.0007520000000000, 0.0003451500000000, -0.0039713200000000 ] - [ 0.0012333500000000, -0.0001153500000000, 0.0014043900000000 ] - [ -0.0403422100000000, -0.0257002400000000, 0.0397971200000000 ] - [ 0.0027501500000000, 0.0001274100000000, -0.0004201700000000 ] - [ -0.0019928300000000, -0.0010893500000000, 0.0045337500000000 ] - [ 0.0018526600000000, 0.0005274900000000, -0.0008544900000000 ] - [ -0.0991463700000000, 0.1075059600000000, 0.0000000000000000 ] - [ 0.0064748100000000, -0.0019735800000000, 0.0000000000000000 ] - [ -0.0023215400000000, 0.0006524000000000, 0.0000000000000000 ] - [ 0.0017927500000000, -0.0007831300000000, 0.0000000000000000 ] - [ -0.0042446900000000, -0.0051478400000000, -0.0019470200000000 ] - [ 0.0024607900000000, 0.0023921300000000, 0.0005349700000000 ] - [ -0.0042446900000000, -0.0051478400000000, 0.0019470200000000 ] - [ 0.0024607900000000, 0.0023921300000000, -0.0005349700000000 ] - [ 0.0189038500000000, 0.0101470000000000, 0.0000000000000000 ] - [ 0.0117524600000000, 0.0017386700000000, 0.0000000000000000 ] - [ 0.0008250200000000, 0.0011239500000000, 0.0000000000000000 ] - [ 0.0010101700000000, 0.0005176800000000, 0.0000000000000000 ] - [ -0.0050962200000000, 0.0063108700000000, 0.0018587100000000 ] - [ 0.0030749700000000, -0.0015554700000000, -0.0000281000000000 ] - [ -0.0050962200000000, 0.0063108700000000, -0.0018587100000000 ] - [ 0.0030749700000000, -0.0015554700000000, 0.0000281000000000 ] - [ -0.2532976200000000, -0.0636489100000000, 0.0000000000000000 ] - [ 0.0083963800000000, 0.0010202700000000, 0.0000000000000000 ] - [ -0.0059230700000000, 0.0002778200000000, 0.0000000000000000 ] - [ 0.0038706600000000, 0.0005486400000000, 0.0000000000000000 ] - [ 0.0056023200000000, -0.0023578600000000, -0.0021095700000000 ] - [ -0.0003492700000000, 0.0003044200000000, 0.0013382100000000 ] - [ 0.0056023200000000, -0.0023578600000000, 0.0021095700000000 ] - [ -0.0003492700000000, 0.0003044200000000, -0.0013382100000000 ] - [ 0.0020660700000000, 0.0037486300000000, 0.0030723600000000 ] - [ 0.0036856900000000, -0.0096912500000000, -0.0086848900000000 ] - [ 0.0006146900000000, 0.0007464800000000, -0.0003707200000000 ] - [ -0.0002454800000000, -0.0001817100000000, 0.0018817400000000 ] - [ 0.0020660700000000, 0.0037486300000000, -0.0030723600000000 ] - [ 0.0036856900000000, -0.0096912500000000, 0.0086848900000000 ] - [ 0.0006146900000000, 0.0007464800000000, 0.0003707200000000 ] - [ -0.0002454800000000, -0.0001817100000000, -0.0018817400000000 ] - [ -0.0002913900000000, 0.0003433100000000, 0.0000509000000000 ] - [ 0.0003619400000000, -0.0006671400000000, -0.0002393200000000 ] - [ -0.0002852400000000, 0.0003644200000000, 0.0002015700000000 ] - [ 0.0003249000000000, -0.0007069600000000, -0.0004029200000000 ] - [ -0.0006592600000000, -0.0005940800000000, -0.0001646600000000 ] - [ 0.0005866100000000, 0.0002112900000000, -0.0000122600000000 ] - [ -0.0005996400000000, -0.0005983200000000, -0.0002674500000000 ] - [ 0.0005491400000000, 0.0002381300000000, 0.0000423800000000 ] - [ -0.0006592600000000, -0.0005940800000000, 0.0001646600000000 ] - [ 0.0005866100000000, 0.0002112900000000, 0.0000122600000000 ] - [ -0.0005996400000000, -0.0005983200000000, 0.0002674500000000 ] - [ 0.0005491400000000, 0.0002381300000000, -0.0000423800000000 ] - [ -0.0002913900000000, 0.0003433100000000, -0.0000509000000000 ] - [ 0.0003619400000000, -0.0006671400000000, 0.0002393200000000 ] - [ -0.0002852400000000, 0.0003644200000000, -0.0002015700000000 ] - [ 0.0003249000000000, -0.0007069600000000, 0.0004029200000000 ] - [ -0.0005248100000000, -0.0001725900000000, 0.0000000000000000 ] - [ 0.0005618800000000, -0.0005433200000000, 0.0000000000000000 ] - [ -0.0005613900000000, -0.0000081600000000, 0.0000000000000000 ] - [ 0.0005070300000000, -0.0005608500000000, 0.0000000000000000 ] - [ -0.0028303500000000, -0.0029014500000000, 0.0008846400000000 ] - [ 0.0018005200000000, 0.0020281000000000, -0.0003444900000000 ] - [ -0.0028303500000000, -0.0029014500000000, -0.0008846400000000 ] - [ 0.0018005200000000, 0.0020281000000000, 0.0003444900000000 ] - [ -0.0011385800000000, -0.0010994600000000, 0.0000000000000000 ] - [ 0.0009826000000000, 0.0003669100000000, 0.0000000000000000 ] - [ -0.0009506500000000, -0.0009793300000000, 0.0000000000000000 ] - [ 0.0009079500000000, 0.0003499400000000, 0.0000000000000000 ] - [ -0.0007940300000000, 0.0019691500000000, -0.0004373600000000 ] - [ 0.0022389200000000, -0.0029814100000000, 0.0010333800000000 ] - [ -0.0007940300000000, 0.0019691500000000, 0.0004373600000000 ] - [ 0.0022389200000000, -0.0029814100000000, -0.0010333800000000 ] - [ 0.0005180900000000, 0.0004599800000000, 0.0000000000000000 ] - [ -0.0004515500000000, 0.0003322700000000, 0.0000000000000000 ] - [ 0.0004358600000000, 0.0004783600000000, 0.0000000000000000 ] - [ -0.0004050600000000, 0.0003447200000000, 0.0000000000000000 ] - [ -0.0022954400000000, -0.0002999900000000, -0.0000763500000000 ] - [ 0.0021975600000000, -0.0006854700000000, 0.0000334300000000 ] - [ -0.0022954400000000, -0.0002999900000000, 0.0000763500000000 ] - [ 0.0021975600000000, -0.0006854700000000, -0.0000334300000000 ] - [ -0.0013701700000000, -0.0007100400000000, -0.0000446500000000 ] - [ 0.0007990500000000, 0.0001041000000000, 0.0000184300000000 ] - [ -0.0013942400000000, -0.0004341000000000, -0.0003360600000000 ] - [ 0.0007631900000000, 0.0001099700000000, 0.0000956600000000 ] - [ -0.0013701700000000, -0.0007100400000000, 0.0000446500000000 ] - [ 0.0007990500000000, 0.0001041000000000, -0.0000184300000000 ] - [ -0.0013942400000000, -0.0004341000000000, 0.0003360600000000 ] - [ 0.0007631900000000, 0.0001099700000000, -0.0000956600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0028853400000000, -0.4806457700000000, 0.0000000000000000 ] - [ -0.0010692200000000, -0.0028208800000000, 0.0000000000000000 ] - [ -0.0026751900000000, -0.0153443000000000, 0.0000000000000000 ] - [ 0.0005939400000000, -0.0014251500000000, 0.0000000000000000 ] - [ -0.0039521700000000, -0.0043431100000000, -0.0025183800000000 ] - [ 0.0115282200000000, -0.0043336500000000, -0.0012719100000000 ] - [ -0.0039521700000000, -0.0043431100000000, 0.0025183800000000 ] - [ 0.0115282200000000, -0.0043336500000000, 0.0012719100000000 ] - [ 0.0100506100000000, -0.0095547300000000, 0.0000000000000000 ] - [ -0.0058759100000000, -0.0189584300000000, 0.0000000000000000 ] - [ -0.0034058100000000, -0.0026248100000000, 0.0000000000000000 ] - [ 0.0007061600000000, -0.0052473700000000, 0.0000000000000000 ] - [ 0.0088718800000000, 0.0211505500000000, 0.0330467600000000 ] - [ -0.0004227500000000, -0.0013024500000000, -0.0007695900000000 ] - [ 0.0088718800000000, 0.0211505500000000, -0.0330467600000000 ] - [ -0.0004227500000000, -0.0013024500000000, 0.0007695900000000 ] - [ 0.0024618500000000, 0.0004298400000000, 0.0000000000000000 ] - [ -0.0479372000000000, 0.0357920800000000, 0.0000000000000000 ] - [ -0.0004708000000000, -0.0020793600000000, 0.0000000000000000 ] - [ 0.0018545800000000, -0.0086149600000000, 0.0000000000000000 ] - [ -0.0084065000000000, 0.0062168700000000, 0.0017774500000000 ] - [ 0.0020361100000000, 0.0014072800000000, 0.0000170500000000 ] - [ -0.0084065000000000, 0.0062168700000000, -0.0017774500000000 ] - [ 0.0020361100000000, 0.0014072800000000, -0.0000170500000000 ] - [ -0.0009607700000000, 0.0030774300000000, 0.0000000000000000 ] - [ 0.0002546100000000, 0.0030793600000000, 0.0000000000000000 ] - [ -0.0008642600000000, 0.0026769700000000, 0.0000000000000000 ] - [ 0.0002932400000000, 0.0026781800000000, 0.0000000000000000 ] - [ 0.0019038600000000, 0.0053887400000000, -0.0005735800000000 ] - [ -0.0010477000000000, 0.0014428100000000, -0.0000864600000000 ] - [ 0.0019038600000000, 0.0053887400000000, 0.0005735800000000 ] - [ -0.0010477000000000, 0.0014428100000000, 0.0000864600000000 ] - [ 0.0010656700000000, 0.0050216700000000, 0.0000000000000000 ] - [ -0.0003248700000000, 0.0014619200000000, 0.0000000000000000 ] - [ 0.0008845000000000, 0.0040870500000000, 0.0000000000000000 ] - [ -0.0003104400000000, 0.0013856800000000, 0.0000000000000000 ] - [ 0.0015685400000000, 0.0024284400000000, -0.0002625800000000 ] - [ -0.0021906200000000, 0.0040185500000000, -0.0002098900000000 ] - [ 0.0015685400000000, 0.0024284400000000, 0.0002625800000000 ] - [ -0.0021906200000000, 0.0040185500000000, 0.0002098900000000 ] - [ -0.0005348300000000, 0.0068346200000000, 0.0000000000000000 ] - [ 0.0000924100000000, 0.0021979100000000, 0.0000000000000000 ] - [ -0.0000882700000000, 0.0055774700000000, 0.0000000000000000 ] - [ 0.0000045000000000, 0.0021657200000000, 0.0000000000000000 ] - [ 0.0004665600000000, 0.0000157900000000, -0.0011193900000000 ] - [ -0.0011548400000000, 0.0076588900000000, -0.0118593400000000 ] - [ 0.0004665600000000, 0.0000157900000000, 0.0011193900000000 ] - [ -0.0011548400000000, 0.0076588900000000, 0.0118593400000000 ] - [ 0.0257746000000000, 0.0984911400000000, 0.1060148300000000 ] - [ 0.0004602700000000, 0.0012668100000000, 0.0011281900000000 ] - [ 0.0011158000000000, 0.0045975100000000, 0.0121649700000000 ] - [ 0.0000435900000000, 0.0005424400000000, 0.0000967400000000 ] - [ -0.0028466300000000, 0.0062811300000000, 0.0057766000000000 ] - [ -0.0023734200000000, 0.0057247400000000, 0.0040272500000000 ] - [ 0.0011173600000000, 0.0010314400000000, -0.0002857700000000 ] - [ -0.0020335800000000, 0.0025497800000000, 0.0014571200000000 ] - [ -0.0028466300000000, 0.0062811300000000, -0.0057766000000000 ] - [ -0.0023734200000000, 0.0057247400000000, -0.0040272500000000 ] - [ 0.0011173600000000, 0.0010314400000000, 0.0002857700000000 ] - [ -0.0020335800000000, 0.0025497800000000, -0.0014571200000000 ] - [ 0.0257746000000000, 0.0984911400000000, -0.1060148300000000 ] - [ 0.0004602700000000, 0.0012668100000000, -0.0011281900000000 ] - [ 0.0011158000000000, 0.0045975100000000, -0.0121649700000000 ] - [ 0.0000435900000000, 0.0005424400000000, -0.0000967400000000 ] - [ -0.1036553700000000, 0.1921353600000000, 0.0000000000000000 ] - [ -0.0008803600000000, 0.0009124500000000, 0.0000000000000000 ] - [ -0.0036573000000000, 0.0071717500000000, 0.0000000000000000 ] - [ -0.0004516300000000, 0.0008747700000000, 0.0000000000000000 ] - [ 0.0037370700000000, 0.0017961000000000, -0.0001400000000000 ] - [ -0.0030454800000000, -0.0007971100000000, 0.0002393200000000 ] - [ 0.0037370700000000, 0.0017961000000000, 0.0001400000000000 ] - [ -0.0030454800000000, -0.0007971100000000, -0.0002393200000000 ] - [ -0.0025825800000000, 0.0001231100000000, 0.0000000000000000 ] - [ 0.0215761800000000, 0.0093869100000000, 0.0000000000000000 ] - [ 0.0015061400000000, 0.0018517800000000, 0.0000000000000000 ] - [ 0.0012958000000000, 0.0034408800000000, 0.0000000000000000 ] - [ 0.0047610700000000, -0.0080672500000000, -0.0041055100000000 ] - [ -0.0005709100000000, 0.0005004400000000, 0.0000944100000000 ] - [ 0.0047610700000000, -0.0080672500000000, 0.0041055100000000 ] - [ -0.0005709100000000, 0.0005004400000000, -0.0000944100000000 ] - [ 0.0596788200000000, 0.0478305600000000, 0.0000000000000000 ] - [ 0.0025819300000000, 0.0031712500000000, 0.0000000000000000 ] - [ 0.0035447800000000, 0.0032170600000000, 0.0000000000000000 ] - [ -0.0008100000000000, 0.0015271000000000, 0.0000000000000000 ] - [ 0.0008951000000000, 0.0003378500000000, 0.0005910200000000 ] - [ -0.0116117600000000, -0.0031829200000000, -0.0041582200000000 ] - [ 0.0008951000000000, 0.0003378500000000, -0.0005910200000000 ] - [ -0.0116117600000000, -0.0031829200000000, 0.0041582200000000 ] - [ -0.0004607200000000, -0.0003138100000000, -0.0005401400000000 ] - [ 0.0062993700000000, -0.0125697700000000, -0.0115049900000000 ] - [ -0.0000268100000000, 0.0006920300000000, 0.0007508700000000 ] - [ 0.0000129100000000, 0.0021900600000000, 0.0043790200000000 ] - [ -0.0004607200000000, -0.0003138100000000, 0.0005401400000000 ] - [ 0.0062993700000000, -0.0125697700000000, 0.0115049900000000 ] - [ -0.0000268100000000, 0.0006920300000000, -0.0007508700000000 ] - [ 0.0000129100000000, 0.0021900600000000, -0.0043790200000000 ] - [ -0.0003020400000000, -0.0013682000000000, -0.0007687300000000 ] - [ 0.0000854000000000, -0.0016282500000000, -0.0008109600000000 ] - [ -0.0002893700000000, -0.0012536500000000, -0.0008267100000000 ] - [ 0.0000453000000000, -0.0016267500000000, -0.0010060500000000 ] - [ -0.0001362000000000, -0.0023727400000000, -0.0011110300000000 ] - [ 0.0003363200000000, -0.0007677400000000, -0.0004903600000000 ] - [ -0.0001089400000000, -0.0021818900000000, -0.0013393700000000 ] - [ 0.0003316300000000, -0.0007537700000000, -0.0005316000000000 ] - [ -0.0001362000000000, -0.0023727400000000, 0.0011110300000000 ] - [ 0.0003363200000000, -0.0007677400000000, 0.0004903600000000 ] - [ -0.0001089400000000, -0.0021818900000000, 0.0013393700000000 ] - [ 0.0003316300000000, -0.0007537700000000, 0.0005316000000000 ] - [ -0.0003020400000000, -0.0013682000000000, 0.0007687300000000 ] - [ 0.0000854000000000, -0.0016282500000000, 0.0008109600000000 ] - [ -0.0002893700000000, -0.0012536500000000, 0.0008267100000000 ] - [ 0.0000453000000000, -0.0016267500000000, 0.0010060500000000 ] - [ 0.0016635300000000, -0.0029509000000000, 0.0000000000000000 ] - [ 0.0004692800000000, -0.0017514100000000, 0.0000000000000000 ] - [ 0.0014192500000000, -0.0026317800000000, 0.0000000000000000 ] - [ 0.0004838700000000, -0.0016630200000000, 0.0000000000000000 ] - [ -0.0021558100000000, -0.0039838300000000, 0.0016972800000000 ] - [ -0.0001284800000000, -0.0002453800000000, 0.0001636200000000 ] - [ -0.0021558100000000, -0.0039838300000000, -0.0016972800000000 ] - [ -0.0001284800000000, -0.0002453800000000, -0.0001636200000000 ] - [ -0.0016908500000000, -0.0037033100000000, 0.0000000000000000 ] - [ -0.0003048300000000, -0.0011146000000000, 0.0000000000000000 ] - [ -0.0015117900000000, -0.0031795400000000, 0.0000000000000000 ] - [ -0.0002841200000000, -0.0010885200000000, 0.0000000000000000 ] - [ -0.0002097200000000, -0.0004847900000000, 0.0002569900000000 ] - [ 0.0029585000000000, -0.0037751000000000, 0.0016288700000000 ] - [ -0.0002097200000000, -0.0004847900000000, -0.0002569900000000 ] - [ 0.0029585000000000, -0.0037751000000000, -0.0016288700000000 ] - [ 0.0004633300000000, -0.0002034500000000, 0.0000000000000000 ] - [ -0.0004702600000000, -0.0008585300000000, 0.0000000000000000 ] - [ 0.0004233100000000, -0.0001530700000000, 0.0000000000000000 ] - [ -0.0004274400000000, -0.0006510400000000, 0.0000000000000000 ] - [ -0.0013681100000000, -0.0017444000000000, 0.0002632100000000 ] - [ 0.0012473600000000, -0.0011714400000000, 0.0000698600000000 ] - [ -0.0013681100000000, -0.0017444000000000, -0.0002632100000000 ] - [ 0.0012473600000000, -0.0011714400000000, -0.0000698600000000 ] - [ 0.0012513800000000, -0.0031992700000000, -0.0012290400000000 ] - [ -0.0003320900000000, -0.0008966300000000, -0.0005242100000000 ] - [ 0.0011109500000000, -0.0028974800000000, -0.0020451400000000 ] - [ -0.0002892800000000, -0.0008900000000000, -0.0005264900000000 ] - [ 0.0012513800000000, -0.0031992700000000, 0.0012290400000000 ] - [ -0.0003320900000000, -0.0008966300000000, 0.0005242100000000 ] - [ 0.0011109500000000, -0.0028974800000000, 0.0020451400000000 ] - [ -0.0002892800000000, -0.0008900000000000, 0.0005264900000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0134947700000000, 0.4868325200000000, 0.0000000000000000 ] - [ 0.0010944400000000, 0.0024352800000000, 0.0000000000000000 ] - [ 0.0026996600000000, 0.0149863900000000, 0.0000000000000000 ] - [ -0.0005766000000000, 0.0010364800000000, 0.0000000000000000 ] - [ 0.0039718000000000, 0.0047055200000000, 0.0025074900000000 ] - [ -0.0115216000000000, 0.0047167300000000, 0.0012696400000000 ] - [ 0.0039718000000000, 0.0047055200000000, -0.0025074900000000 ] - [ -0.0115216000000000, 0.0047167300000000, -0.0012696400000000 ] - [ -0.0100553600000000, 0.0091866300000000, 0.0000000000000000 ] - [ 0.0058460300000000, 0.0185989400000000, 0.0000000000000000 ] - [ 0.0033981300000000, 0.0022400400000000, 0.0000000000000000 ] - [ -0.0007248100000000, 0.0048662900000000, 0.0000000000000000 ] - [ -0.0088262700000000, -0.0208164900000000, -0.0328256800000000 ] - [ 0.0004069000000000, 0.0016879300000000, 0.0007686800000000 ] - [ -0.0088262700000000, -0.0208164900000000, 0.0328256800000000 ] - [ 0.0004069000000000, 0.0016879300000000, -0.0007686800000000 ] - [ -0.0024584900000000, -0.0002177000000000, 0.0000000000000000 ] - [ 0.0482818700000000, -0.0357997700000000, 0.0000000000000000 ] - [ 0.0004714500000000, 0.0022874000000000, 0.0000000000000000 ] - [ -0.0018640200000000, 0.0088375400000000, 0.0000000000000000 ] - [ 0.0083933900000000, -0.0064161500000000, -0.0017598400000000 ] - [ -0.0020390700000000, -0.0016157900000000, -0.0000165800000000 ] - [ 0.0083933900000000, -0.0064161500000000, 0.0017598400000000 ] - [ -0.0020390700000000, -0.0016157900000000, 0.0000165800000000 ] - [ 0.0009757600000000, -0.0034682000000000, 0.0000000000000000 ] - [ -0.0002264600000000, -0.0034682500000000, 0.0000000000000000 ] - [ 0.0008836200000000, -0.0030678500000000, 0.0000000000000000 ] - [ -0.0002721700000000, -0.0030689800000000, 0.0000000000000000 ] - [ -0.0018857100000000, -0.0050054100000000, 0.0005766700000000 ] - [ 0.0010725900000000, -0.0010513500000000, 0.0000877200000000 ] - [ -0.0018857100000000, -0.0050054100000000, -0.0005766700000000 ] - [ 0.0010725900000000, -0.0010513500000000, -0.0000877200000000 ] - [ -0.0010842600000000, -0.0054096300000000, 0.0000000000000000 ] - [ 0.0003027300000000, -0.0018537400000000, 0.0000000000000000 ] - [ -0.0009022600000000, -0.0044843700000000, 0.0000000000000000 ] - [ 0.0002868500000000, -0.0017759900000000, 0.0000000000000000 ] - [ -0.0015974300000000, -0.0020401800000000, 0.0002655700000000 ] - [ 0.0021755500000000, -0.0036328200000000, 0.0002107600000000 ] - [ -0.0015974300000000, -0.0020401800000000, -0.0002655700000000 ] - [ 0.0021755500000000, -0.0036328200000000, -0.0002107600000000 ] - [ 0.0005249000000000, -0.0066291900000000, 0.0000000000000000 ] - [ -0.0000866500000000, -0.0020073000000000, 0.0000000000000000 ] - [ 0.0000872900000000, -0.0053812800000000, 0.0000000000000000 ] - [ 0.0000007100000000, -0.0019753400000000, 0.0000000000000000 ] - [ -0.0004724500000000, -0.0002038600000000, 0.0011193300000000 ] - [ 0.0011654000000000, -0.0078619800000000, 0.0118854100000000 ] - [ -0.0004724500000000, -0.0002038600000000, -0.0011193300000000 ] - [ 0.0011654000000000, -0.0078619800000000, -0.0118854100000000 ] - [ -0.0247490400000000, -0.0971758600000000, -0.1020054500000000 ] - [ -0.0004595100000000, -0.0012659300000000, -0.0011278400000000 ] - [ -0.0011210200000000, -0.0046004500000000, -0.0122118100000000 ] - [ -0.0000442000000000, -0.0005427000000000, -0.0000981400000000 ] - [ 0.0028183000000000, -0.0062473500000000, -0.0057494400000000 ] - [ 0.0023778900000000, -0.0057218000000000, -0.0040273500000000 ] - [ -0.0011199600000000, -0.0010292800000000, 0.0002824800000000 ] - [ 0.0020378300000000, -0.0025486800000000, -0.0014572100000000 ] - [ 0.0028183000000000, -0.0062473500000000, 0.0057494400000000 ] - [ 0.0023778900000000, -0.0057218000000000, 0.0040273500000000 ] - [ -0.0011199600000000, -0.0010292800000000, -0.0002824800000000 ] - [ 0.0020378300000000, -0.0025486800000000, 0.0014572100000000 ] - [ -0.0247490400000000, -0.0971758600000000, 0.1020054500000000 ] - [ -0.0004595100000000, -0.0012659300000000, 0.0011278400000000 ] - [ -0.0011210200000000, -0.0046004500000000, 0.0122118100000000 ] - [ -0.0000442000000000, -0.0005427000000000, 0.0000981400000000 ] - [ 0.1113414200000000, -0.2019973100000000, 0.0000000000000000 ] - [ 0.0006586100000000, -0.0010905900000000, 0.0000000000000000 ] - [ 0.0034405200000000, -0.0073695100000000, 0.0000000000000000 ] - [ 0.0002303600000000, -0.0010522700000000, 0.0000000000000000 ] - [ -0.0039474900000000, -0.0016085100000000, 0.0001377000000000 ] - [ 0.0028288100000000, 0.0009828100000000, -0.0002410000000000 ] - [ -0.0039474900000000, -0.0016085100000000, -0.0001377000000000 ] - [ 0.0028288100000000, 0.0009828100000000, 0.0002410000000000 ] - [ 0.0027748700000000, -0.0003311600000000, 0.0000000000000000 ] - [ -0.0213671700000000, -0.0095776200000000, 0.0000000000000000 ] - [ -0.0012875200000000, -0.0020331600000000, 0.0000000000000000 ] - [ -0.0010750400000000, -0.0036237900000000, 0.0000000000000000 ] - [ -0.0045401800000000, 0.0082674600000000, 0.0040808300000000 ] - [ 0.0007889000000000, -0.0003220000000000, -0.0000952400000000 ] - [ -0.0045401800000000, 0.0082674600000000, -0.0040808300000000 ] - [ 0.0007889000000000, -0.0003220000000000, 0.0000952400000000 ] - [ -0.0594114100000000, -0.0461827200000000, 0.0000000000000000 ] - [ -0.0025800900000000, -0.0021682600000000, 0.0000000000000000 ] - [ -0.0035558100000000, -0.0022256900000000, 0.0000000000000000 ] - [ 0.0008138200000000, -0.0005287000000000, 0.0000000000000000 ] - [ -0.0009006500000000, -0.0013375500000000, -0.0005891200000000 ] - [ 0.0116403100000000, 0.0022188800000000, 0.0041609000000000 ] - [ -0.0009006500000000, -0.0013375500000000, 0.0005891200000000 ] - [ 0.0116403100000000, 0.0022188800000000, -0.0041609000000000 ] - [ 0.0004609500000000, 0.0003067300000000, 0.0005366400000000 ] - [ -0.0063149100000000, 0.0125555300000000, 0.0114979200000000 ] - [ 0.0000267300000000, -0.0006962900000000, -0.0007536500000000 ] - [ -0.0000165600000000, -0.0022001300000000, -0.0043897900000000 ] - [ 0.0004609500000000, 0.0003067300000000, -0.0005366400000000 ] - [ -0.0063149100000000, 0.0125555300000000, -0.0114979200000000 ] - [ 0.0000267300000000, -0.0006962900000000, 0.0007536500000000 ] - [ -0.0000165600000000, -0.0022001300000000, 0.0043897900000000 ] - [ 0.0003045600000000, 0.0013677000000000, 0.0007676500000000 ] - [ -0.0000865800000000, 0.0016282000000000, 0.0008105300000000 ] - [ 0.0002922500000000, 0.0012548300000000, 0.0008277400000000 ] - [ -0.0000479500000000, 0.0016278200000000, 0.0010062700000000 ] - [ 0.0001351400000000, 0.0023769800000000, 0.0011113800000000 ] - [ -0.0003359300000000, 0.0007670800000000, 0.0004904200000000 ] - [ 0.0001094500000000, 0.0021848400000000, 0.0013431000000000 ] - [ -0.0003320700000000, 0.0007534000000000, 0.0005307700000000 ] - [ 0.0001351400000000, 0.0023769800000000, -0.0011113800000000 ] - [ -0.0003359300000000, 0.0007670800000000, -0.0004904200000000 ] - [ 0.0001094500000000, 0.0021848400000000, -0.0013431000000000 ] - [ -0.0003320700000000, 0.0007534000000000, -0.0005307700000000 ] - [ 0.0003045600000000, 0.0013677000000000, -0.0007676500000000 ] - [ -0.0000865800000000, 0.0016282000000000, -0.0008105300000000 ] - [ 0.0002922500000000, 0.0012548300000000, -0.0008277400000000 ] - [ -0.0000479500000000, 0.0016278200000000, -0.0010062700000000 ] - [ -0.0018821900000000, 0.0027720500000000, 0.0000000000000000 ] - [ -0.0006933200000000, 0.0015849700000000, 0.0000000000000000 ] - [ -0.0016384700000000, 0.0024578400000000, 0.0000000000000000 ] - [ -0.0007085800000000, 0.0014954900000000, 0.0000000000000000 ] - [ 0.0019294100000000, 0.0041639900000000, -0.0017026500000000 ] - [ -0.0000921800000000, 0.0004161100000000, -0.0001638900000000 ] - [ 0.0019294100000000, 0.0041639900000000, 0.0017026500000000 ] - [ -0.0000921800000000, 0.0004161100000000, 0.0001638900000000 ] - [ 0.0019112800000000, 0.0035290700000000, 0.0000000000000000 ] - [ 0.0005269400000000, 0.0009414500000000, 0.0000000000000000 ] - [ 0.0017354400000000, 0.0030063100000000, 0.0000000000000000 ] - [ 0.0005059500000000, 0.0009185000000000, 0.0000000000000000 ] - [ 0.0004363000000000, 0.0006554200000000, -0.0002580600000000 ] - [ -0.0027412000000000, 0.0039487400000000, -0.0016306400000000 ] - [ 0.0004363000000000, 0.0006554200000000, 0.0002580600000000 ] - [ -0.0027412000000000, 0.0039487400000000, 0.0016306400000000 ] - [ -0.0004590100000000, 0.0012069900000000, 0.0000000000000000 ] - [ 0.0004671500000000, 0.0018671900000000, 0.0000000000000000 ] - [ -0.0004227100000000, 0.0011596200000000, 0.0000000000000000 ] - [ 0.0004260700000000, 0.0016539700000000, 0.0000000000000000 ] - [ 0.0013748900000000, 0.0007428900000000, -0.0002658100000000 ] - [ -0.0012507500000000, 0.0001645600000000, -0.0000696600000000 ] - [ 0.0013748900000000, 0.0007428900000000, 0.0002658100000000 ] - [ -0.0012507500000000, 0.0001645600000000, 0.0000696600000000 ] - [ -0.0012472600000000, 0.0031968500000000, 0.0012367800000000 ] - [ 0.0003314500000000, 0.0009003100000000, 0.0005260800000000 ] - [ -0.0011079800000000, 0.0028997000000000, 0.0020437400000000 ] - [ 0.0002898000000000, 0.0008932500000000, 0.0005272600000000 ] - [ -0.0012472600000000, 0.0031968500000000, -0.0012367800000000 ] - [ 0.0003314500000000, 0.0009003100000000, -0.0005260800000000 ] - [ -0.0011079800000000, 0.0028997000000000, -0.0020437400000000 ] - [ 0.0002898000000000, 0.0008932500000000, -0.0005272600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0032094200000000, -0.0088101600000000, -0.4725497300000000 ] - [ 0.0000116900000000, -0.0001970200000000, -0.0011507000000000 ] - [ 0.0000063400000000, -0.0002110900000000, 0.0265510800000000 ] - [ 0.0000124800000000, -0.0001939900000000, 0.0011113600000000 ] - [ -0.0044229500000000, -0.0010749300000000, 0.0007763300000000 ] - [ 0.0141411500000000, -0.0023169400000000, 0.0007833000000000 ] - [ 0.0044397300000000, 0.0014667000000000, 0.0008046400000000 ] - [ -0.0141023500000000, 0.0027077800000000, 0.0007980900000000 ] - [ -0.0000031700000000, -0.0001752200000000, -0.0055888400000000 ] - [ -0.0000270100000000, -0.0002067800000000, -0.0082330600000000 ] - [ -0.0000324900000000, -0.0001900700000000, 0.0051662200000000 ] - [ -0.0000052200000000, -0.0001909000000000, 0.0063968900000000 ] - [ 0.0122027200000000, 0.0333097700000000, 0.0551501400000000 ] - [ -0.0005988300000000, -0.0005755700000000, 0.0000212000000000 ] - [ -0.0120950200000000, -0.0325634600000000, 0.0549557000000000 ] - [ 0.0005736700000000, 0.0009631800000000, 0.0000262900000000 ] - [ 0.0000045300000000, 0.0001042600000000, -0.0006888400000000 ] - [ 0.0000156700000000, 0.0001183900000000, -0.0023310200000000 ] - [ -0.0000059900000000, 0.0000949100000000, 0.0005323300000000 ] - [ 0.0000159800000000, 0.0000857000000000, 0.0032753400000000 ] - [ -0.0101600500000000, 0.0099900600000000, 0.0002169800000000 ] - [ 0.0021109400000000, 0.0019819500000000, 0.0000213600000000 ] - [ 0.0101549500000000, -0.0101757600000000, 0.0002234700000000 ] - [ -0.0021120200000000, -0.0021813300000000, 0.0000226600000000 ] - [ 0.0000131800000000, -0.0001957500000000, -0.0003406800000000 ] - [ 0.0000131800000000, -0.0001943100000000, -0.0003406000000000 ] - [ 0.0000133500000000, -0.0001950100000000, 0.0003339300000000 ] - [ 0.0000121100000000, -0.0001945700000000, 0.0003343300000000 ] - [ -0.0000638600000000, -0.0003814900000000, 0.0000128200000000 ] - [ 0.0000326300000000, 0.0001084700000000, -0.0000010400000000 ] - [ 0.0000889100000000, 0.0007688000000000, 0.0000157700000000 ] - [ -0.0000053900000000, 0.0002819400000000, -0.0000008300000000 ] - [ -0.0000139200000000, -0.0001950900000000, -0.0006334300000000 ] - [ -0.0000122700000000, -0.0001950700000000, -0.0001541100000000 ] - [ -0.0000127700000000, -0.0001963800000000, 0.0006263400000000 ] - [ -0.0000128100000000, -0.0001943700000000, 0.0001548200000000 ] - [ -0.0002621400000000, -0.0000704100000000, 0.0000059000000000 ] - [ 0.0001415900000000, -0.0000155500000000, 0.0000079700000000 ] - [ 0.0002346100000000, 0.0004577400000000, 0.0000070500000000 ] - [ -0.0001654400000000, 0.0004047000000000, 0.0000091200000000 ] - [ -0.0000006300000000, 0.0000961900000000, -0.0056549600000000 ] - [ 0.0000010900000000, 0.0000982700000000, -0.0014109600000000 ] - [ -0.0000004500000000, 0.0000992100000000, 0.0056684300000000 ] - [ 0.0000013700000000, 0.0000982600000000, 0.0014008500000000 ] - [ -0.0002803800000000, -0.0001615600000000, 0.0000216100000000 ] - [ 0.0009464000000000, -0.0012646500000000, -0.0002328000000000 ] - [ 0.0002779500000000, -0.0000339700000000, 0.0000286800000000 ] - [ -0.0009424100000000, 0.0010654700000000, -0.0002072700000000 ] - [ 0.0393031400000000, 0.1049619600000000, 0.1834906600000000 ] - [ 0.0001632700000000, 0.0004058000000000, 0.0006309400000000 ] - [ -0.0017166900000000, -0.0045399400000000, -0.0231498300000000 ] - [ -0.0001612000000000, -0.0004029400000000, -0.0006298300000000 ] - [ 0.0008186800000000, 0.0022264500000000, 0.0031851300000000 ] - [ -0.0033645800000000, 0.0019781200000000, 0.0039211400000000 ] - [ -0.0007159900000000, -0.0009931800000000, -0.0023383600000000 ] - [ 0.0026461700000000, -0.0023761700000000, -0.0040883000000000 ] - [ -0.0008410300000000, -0.0022056100000000, 0.0031419600000000 ] - [ 0.0033646800000000, -0.0019690300000000, 0.0039074300000000 ] - [ 0.0007280100000000, 0.0009834900000000, -0.0023258900000000 ] - [ -0.0026476500000000, 0.0023722300000000, -0.0040839200000000 ] - [ -0.0365792700000000, -0.0976926600000000, 0.1746272700000000 ] - [ -0.0001612600000000, -0.0004029900000000, 0.0006279200000000 ] - [ 0.0017051900000000, 0.0045081500000000, -0.0231691300000000 ] - [ 0.0001608400000000, 0.0004015000000000, -0.0006268500000000 ] - [ -0.0006509300000000, 0.0006903600000000, 0.0282522000000000 ] - [ -0.0001109700000000, -0.0000830800000000, 0.0002365300000000 ] - [ -0.0001213900000000, -0.0000768400000000, -0.0044008400000000 ] - [ -0.0001089100000000, -0.0000848400000000, -0.0002045100000000 ] - [ 0.0032641800000000, 0.0000973000000000, -0.0002625600000000 ] - [ -0.0037754500000000, -0.0018630000000000, 0.0000222300000000 ] - [ -0.0034829200000000, 0.0000672100000000, -0.0002676600000000 ] - [ 0.0035549200000000, 0.0020369000000000, 0.0000215700000000 ] - [ 0.0000894200000000, -0.0000933400000000, 0.0002730600000000 ] - [ 0.0001373100000000, -0.0000823000000000, 0.0016900200000000 ] - [ 0.0001175200000000, -0.0000811200000000, -0.0007536500000000 ] - [ 0.0001034900000000, -0.0000854300000000, -0.0013786600000000 ] - [ 0.0084646200000000, -0.0155642700000000, -0.0072187600000000 ] - [ -0.0004460700000000, 0.0001223100000000, -0.0000088400000000 ] - [ -0.0082575800000000, 0.0157457800000000, -0.0072393700000000 ] - [ 0.0006636500000000, 0.0000453800000000, -0.0000088100000000 ] - [ 0.0008984800000000, 0.0007148900000000, 0.0296243300000000 ] - [ 0.0000045200000000, 0.0005090900000000, 0.0011728800000000 ] - [ 0.0000127000000000, 0.0004999500000000, -0.0045701400000000 ] - [ -0.0000008800000000, 0.0005018100000000, -0.0010192200000000 ] - [ 0.0012456800000000, -0.0002701000000000, -0.0000295400000000 ] - [ -0.0160949700000000, -0.0057857400000000, -0.0074039600000000 ] - [ -0.0012454500000000, -0.0007399200000000, -0.0000335600000000 ] - [ 0.0161157200000000, 0.0047823200000000, -0.0074255900000000 ] - [ -0.0000932800000000, 0.0000075200000000, 0.0001831300000000 ] - [ -0.0005487000000000, 0.0012742800000000, 0.0021132500000000 ] - [ 0.0000749300000000, -0.0000415200000000, -0.0002007600000000 ] - [ -0.0002967000000000, 0.0002168700000000, -0.0009310400000000 ] - [ 0.0000921300000000, -0.0000131600000000, 0.0001883700000000 ] - [ 0.0005583100000000, -0.0013012400000000, 0.0021502900000000 ] - [ -0.0000734400000000, 0.0000446600000000, -0.0002040800000000 ] - [ 0.0002885800000000, -0.0002055700000000, -0.0009423600000000 ] - [ 0.0000678000000000, 0.0001134500000000, 0.0001988500000000 ] - [ -0.0000085100000000, 0.0000706500000000, 0.0001357000000000 ] - [ -0.0000664500000000, -0.0001149600000000, -0.0002008600000000 ] - [ 0.0000077000000000, -0.0000631500000000, -0.0001312600000000 ] - [ -0.0000352100000000, 0.0001790700000000, 0.0003047900000000 ] - [ -0.0000123500000000, 0.0000400800000000, 0.0000753500000000 ] - [ 0.0000343300000000, -0.0001753100000000, -0.0003037000000000 ] - [ 0.0000122800000000, -0.0000410300000000, -0.0000759700000000 ] - [ 0.0000350600000000, -0.0001766700000000, 0.0003032700000000 ] - [ 0.0000122200000000, -0.0000406300000000, 0.0000748200000000 ] - [ -0.0000333900000000, 0.0001760000000000, -0.0003044500000000 ] - [ -0.0000126500000000, 0.0000404400000000, -0.0000748000000000 ] - [ -0.0000671200000000, -0.0001135100000000, 0.0001986300000000 ] - [ 0.0000089200000000, -0.0000714600000000, 0.0001354900000000 ] - [ 0.0000675700000000, 0.0001152300000000, -0.0002003800000000 ] - [ -0.0000088800000000, 0.0000626600000000, -0.0001301800000000 ] - [ -0.0001101400000000, -0.0000839400000000, 0.0007964400000000 ] - [ -0.0001085600000000, -0.0000813400000000, 0.0002727200000000 ] - [ -0.0001088900000000, -0.0000834800000000, -0.0008247000000000 ] - [ -0.0001095200000000, -0.0000817200000000, -0.0002676300000000 ] - [ -0.0001658400000000, 0.0005564600000000, 0.0000049200000000 ] - [ -0.0000422600000000, 0.0001366700000000, -0.0000017800000000 ] - [ -0.0000547800000000, -0.0003863100000000, 0.0000011400000000 ] - [ -0.0001752100000000, 0.0000285900000000, -0.0000027200000000 ] - [ 0.0001085300000000, -0.0000807200000000, 0.0008504600000000 ] - [ 0.0001086200000000, -0.0000833500000000, 0.0002114900000000 ] - [ 0.0001100000000000, -0.0000838600000000, -0.0008457100000000 ] - [ 0.0001084700000000, -0.0000825700000000, -0.0002117100000000 ] - [ 0.0002408900000000, 0.0001825500000000, -0.0000080200000000 ] - [ -0.0000889100000000, 0.0002490000000000, 0.0000795500000000 ] - [ -0.0000215500000000, -0.0000161800000000, -0.0000094800000000 ] - [ 0.0003061100000000, -0.0000844000000000, 0.0000759400000000 ] - [ 0.0000000900000000, 0.0005060200000000, 0.0000870700000000 ] - [ 0.0000005800000000, 0.0005086600000000, 0.0002050200000000 ] - [ -0.0000005700000000, 0.0005070300000000, -0.0000863000000000 ] - [ 0.0000003700000000, 0.0005047100000000, -0.0002019000000000 ] - [ 0.0001275900000000, -0.0003005900000000, -0.0000094200000000 ] - [ -0.0000607300000000, -0.0004687000000000, -0.0000008700000000 ] - [ -0.0001248200000000, -0.0007109400000000, -0.0000099000000000 ] - [ 0.0000599600000000, -0.0005463100000000, -0.0000016300000000 ] - [ -0.0011255300000000, 0.0031951600000000, 0.0036146900000000 ] - [ 0.0002784300000000, 0.0007480800000000, 0.0008807900000000 ] - [ 0.0013707400000000, -0.0034732800000000, -0.0039134800000000 ] - [ -0.0002776500000000, -0.0007403500000000, -0.0008792200000000 ] - [ 0.0011251800000000, -0.0031950700000000, 0.0036171100000000 ] - [ -0.0002788800000000, -0.0007476300000000, 0.0008812100000000 ] - [ -0.0013709200000000, 0.0034754700000000, -0.0039170200000000 ] - [ 0.0002778100000000, 0.0007407700000000, -0.0008787600000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0138524200000000, 0.0022715200000000, 0.0000000000000000 ] - [ 0.0338208600000000, -0.0481250800000000, 0.0000000000000000 ] - [ 0.0026716200000000, -0.0006676200000000, 0.0000000000000000 ] - [ -0.0008013200000000, 0.0016549700000000, 0.0000000000000000 ] - [ -0.0085690100000000, 0.0085973900000000, 0.0101653600000000 ] - [ 0.0041137400000000, -0.0018375000000000, -0.0021088300000000 ] - [ -0.0085690100000000, 0.0085973900000000, -0.0101653600000000 ] - [ 0.0041137400000000, -0.0018375000000000, 0.0021088300000000 ] - [ 0.0339950800000000, 0.0480937800000000, 0.0000000000000000 ] - [ 0.0138066100000000, -0.0026460700000000, 0.0000000000000000 ] - [ -0.0008374400000000, -0.0020617200000000, 0.0000000000000000 ] - [ 0.0026622700000000, 0.0002760800000000, 0.0000000000000000 ] - [ 0.0040933300000000, 0.0022373200000000, 0.0021146300000000 ] - [ -0.0085770300000000, -0.0082038600000000, -0.0101490200000000 ] - [ 0.0040933300000000, 0.0022373200000000, -0.0021146300000000 ] - [ -0.0085770300000000, -0.0082038600000000, 0.0101490200000000 ] - [ -0.4698784700000000, -0.0090138800000000, 0.0000000000000000 ] - [ 0.0077877200000000, 0.0000952600000000, 0.0000000000000000 ] - [ -0.0061740900000000, 0.0000760700000000, 0.0000000000000000 ] - [ 0.0032779200000000, 0.0000985900000000, 0.0000000000000000 ] - [ 0.0017357000000000, 0.0019641000000000, 0.0003170100000000 ] - [ 0.0017370000000000, -0.0021568400000000, -0.0003167100000000 ] - [ 0.0017357000000000, 0.0019641000000000, -0.0003170100000000 ] - [ 0.0017370000000000, -0.0021568400000000, 0.0003167100000000 ] - [ -0.0017833400000000, -0.0007212300000000, 0.0000000000000000 ] - [ 0.0015644900000000, -0.0001051800000000, 0.0000000000000000 ] - [ -0.0014352600000000, -0.0002775600000000, 0.0000000000000000 ] - [ 0.0013826600000000, -0.0001934400000000, 0.0000000000000000 ] - [ 0.0013467500000000, -0.0002759300000000, 0.0002787900000000 ] - [ -0.0008541600000000, 0.0013627700000000, -0.0009412500000000 ] - [ 0.0013467500000000, -0.0002759300000000, -0.0002787900000000 ] - [ -0.0008541600000000, 0.0013627700000000, 0.0009412500000000 ] - [ 0.0015414800000000, -0.0002827400000000, 0.0000000000000000 ] - [ -0.0017972300000000, 0.0003374800000000, 0.0000000000000000 ] - [ 0.0013639200000000, -0.0001983900000000, 0.0000000000000000 ] - [ -0.0014537300000000, -0.0001034400000000, 0.0000000000000000 ] - [ -0.0008993300000000, -0.0009581200000000, 0.0009463000000000 ] - [ 0.0013359900000000, 0.0006605300000000, -0.0002776700000000 ] - [ -0.0008993300000000, -0.0009581200000000, -0.0009463000000000 ] - [ 0.0013359900000000, 0.0006605300000000, 0.0002776700000000 ] - [ 0.0001565000000000, 0.0016161100000000, 0.0000000000000000 ] - [ 0.0001664500000000, -0.0014157700000000, 0.0000000000000000 ] - [ 0.0000439600000000, 0.0015015900000000, 0.0000000000000000 ] - [ 0.0000512600000000, -0.0012995700000000, 0.0000000000000000 ] - [ -0.0032710800000000, -0.0000822300000000, -0.0000044500000000 ] - [ 0.0024741300000000, -0.0001016500000000, 0.0000034500000000 ] - [ -0.0032710800000000, -0.0000822300000000, 0.0000044500000000 ] - [ 0.0024741300000000, -0.0001016500000000, -0.0000034500000000 ] - [ -0.0033122200000000, -0.0022114700000000, -0.0027135100000000 ] - [ 0.0001159000000000, 0.0167415600000000, 0.0139501200000000 ] - [ -0.0010753700000000, -0.0002695300000000, 0.0002725400000000 ] - [ 0.0010629900000000, 0.0003128800000000, -0.0022874600000000 ] - [ 0.0001204000000000, -0.0167496200000000, -0.0139515100000000 ] - [ -0.0033098800000000, 0.0022064200000000, 0.0027079800000000 ] - [ 0.0010660400000000, -0.0003095600000000, 0.0022901500000000 ] - [ -0.0010765200000000, 0.0002702700000000, -0.0002695800000000 ] - [ 0.0001204000000000, -0.0167496200000000, 0.0139515100000000 ] - [ -0.0033098800000000, 0.0022064200000000, -0.0027079800000000 ] - [ 0.0010660400000000, -0.0003095600000000, -0.0022901500000000 ] - [ -0.0010765200000000, 0.0002702700000000, 0.0002695800000000 ] - [ -0.0033122200000000, -0.0022114700000000, 0.0027135100000000 ] - [ 0.0001159000000000, 0.0167415600000000, -0.0139501200000000 ] - [ -0.0010753700000000, -0.0002695300000000, -0.0002725400000000 ] - [ 0.0010629900000000, 0.0003128800000000, 0.0022874600000000 ] - [ -0.0059022300000000, 0.0023352000000000, 0.0000000000000000 ] - [ 0.1820479300000000, -0.1022315100000000, 0.0000000000000000 ] - [ -0.0020328600000000, 0.0009385000000000, 0.0000000000000000 ] - [ 0.0026134000000000, -0.0017266900000000, 0.0000000000000000 ] - [ -0.0007072200000000, -0.0030692800000000, -0.0015787600000000 ] - [ -0.0010522600000000, 0.0004827400000000, 0.0003409100000000 ] - [ -0.0007072200000000, -0.0030692800000000, 0.0015787600000000 ] - [ -0.0010522600000000, 0.0004827400000000, -0.0003409100000000 ] - [ 0.1911907000000000, 0.1097293300000000, 0.0000000000000000 ] - [ -0.0056696300000000, -0.0025196300000000, 0.0000000000000000 ] - [ 0.0028571200000000, 0.0015657900000000, 0.0000000000000000 ] - [ -0.0018068500000000, -0.0011207300000000, 0.0000000000000000 ] - [ -0.0008226200000000, -0.0003054700000000, -0.0003424200000000 ] - [ -0.0004859900000000, 0.0032497100000000, 0.0015776900000000 ] - [ -0.0008226200000000, -0.0003054700000000, 0.0003424200000000 ] - [ -0.0004859900000000, 0.0032497100000000, -0.0015776900000000 ] - [ -0.0158123700000000, -0.0046057300000000, 0.0000000000000000 ] - [ -0.0158176400000000, 0.0055706600000000, 0.0000000000000000 ] - [ -0.0010372000000000, 0.0004863400000000, 0.0000000000000000 ] - [ -0.0010459100000000, 0.0005076300000000, 0.0000000000000000 ] - [ 0.0085758200000000, -0.0004973000000000, -0.0000007300000000 ] - [ -0.0038175200000000, -0.0004976100000000, -0.0000014300000000 ] - [ 0.0085758200000000, -0.0004973000000000, 0.0000007300000000 ] - [ -0.0038175200000000, -0.0004976100000000, 0.0000014300000000 ] - [ 0.0279062100000000, 0.0005603300000000, 0.0007666700000000 ] - [ -0.0015478200000000, 0.0000023700000000, 0.0000026100000000 ] - [ 0.0012700000000000, 0.0000041800000000, 0.0000282700000000 ] - [ -0.0008573700000000, 0.0000001600000000, -0.0000007300000000 ] - [ 0.0279062100000000, 0.0005603300000000, -0.0007666700000000 ] - [ -0.0015478200000000, 0.0000023700000000, -0.0000026100000000 ] - [ 0.0012700000000000, 0.0000041800000000, -0.0000282700000000 ] - [ -0.0008573700000000, 0.0000001600000000, 0.0000007300000000 ] - [ 0.0004744000000000, 0.0004557600000000, 0.0000337700000000 ] - [ -0.0004865400000000, -0.0001973300000000, -0.0001174200000000 ] - [ 0.0004197300000000, 0.0001810600000000, 0.0002801000000000 ] - [ -0.0004468800000000, -0.0001646400000000, -0.0002292300000000 ] - [ -0.0004856000000000, 0.0001994300000000, 0.0001173900000000 ] - [ 0.0004697600000000, -0.0004614000000000, -0.0000370100000000 ] - [ -0.0004441700000000, 0.0001658700000000, 0.0002303200000000 ] - [ 0.0004158900000000, -0.0001873400000000, -0.0002838100000000 ] - [ -0.0004856000000000, 0.0001994300000000, -0.0001173900000000 ] - [ 0.0004697600000000, -0.0004614000000000, 0.0000370100000000 ] - [ -0.0004441700000000, 0.0001658700000000, -0.0002303200000000 ] - [ 0.0004158900000000, -0.0001873400000000, 0.0002838100000000 ] - [ 0.0004744000000000, 0.0004557600000000, -0.0000337700000000 ] - [ -0.0004865400000000, -0.0001973300000000, 0.0001174200000000 ] - [ 0.0004197300000000, 0.0001810600000000, -0.0002801000000000 ] - [ -0.0004468800000000, -0.0001646400000000, 0.0002292300000000 ] - [ 0.0004241300000000, -0.0005558000000000, 0.0000000000000000 ] - [ -0.0007586800000000, 0.0004914200000000, 0.0000000000000000 ] - [ 0.0004356200000000, -0.0006167500000000, 0.0000000000000000 ] - [ -0.0007114400000000, 0.0004843600000000, 0.0000000000000000 ] - [ -0.0012828000000000, -0.0001598600000000, -0.0001094800000000 ] - [ 0.0025623200000000, 0.0014819900000000, -0.0000968600000000 ] - [ -0.0012828000000000, -0.0001598600000000, 0.0001094800000000 ] - [ 0.0025623200000000, 0.0014819900000000, 0.0000968600000000 ] - [ -0.0005323300000000, -0.0006659800000000, 0.0000000000000000 ] - [ 0.0006463400000000, 0.0003698200000000, 0.0000000000000000 ] - [ -0.0004838500000000, -0.0006614000000000, 0.0000000000000000 ] - [ 0.0006551800000000, 0.0004339500000000, 0.0000000000000000 ] - [ 0.0028308200000000, -0.0013390900000000, 0.0001112100000000 ] - [ -0.0010612400000000, 0.0003434800000000, 0.0001074500000000 ] - [ 0.0028308200000000, -0.0013390900000000, -0.0001112100000000 ] - [ -0.0010612400000000, 0.0003434800000000, -0.0001074500000000 ] - [ 0.0016294200000000, 0.0004964200000000, 0.0000000000000000 ] - [ -0.0013495100000000, 0.0005006800000000, 0.0000000000000000 ] - [ 0.0013029200000000, 0.0004986900000000, 0.0000000000000000 ] - [ -0.0012278000000000, 0.0004976700000000, 0.0000000000000000 ] - [ -0.0002558000000000, 0.0001327600000000, -0.0003211300000000 ] - [ -0.0002702600000000, -0.0011294100000000, 0.0003185500000000 ] - [ -0.0002558000000000, 0.0001327600000000, 0.0003211300000000 ] - [ -0.0002702600000000, -0.0011294100000000, -0.0003185500000000 ] - [ -0.0002284500000000, -0.0008504300000000, -0.0003878400000000 ] - [ -0.0002303100000000, 0.0008481900000000, 0.0003868400000000 ] - [ -0.0002483800000000, -0.0008923200000000, -0.0006335400000000 ] - [ -0.0002504800000000, 0.0008905300000000, 0.0006316200000000 ] - [ -0.0002284500000000, -0.0008504300000000, 0.0003878400000000 ] - [ -0.0002303100000000, 0.0008481900000000, -0.0003868400000000 ] - [ -0.0002483800000000, -0.0008923200000000, 0.0006335400000000 ] - [ -0.0002504800000000, 0.0008905300000000, -0.0006316200000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0090057900000000, 0.0001267000000000, 0.0000000000000000 ] - [ -0.0329881000000000, 0.0355990900000000, 0.0000000000000000 ] - [ 0.0005750200000000, -0.0023784100000000, 0.0000000000000000 ] - [ 0.0016810400000000, -0.0089320100000000, 0.0000000000000000 ] - [ 0.0013880000000000, 0.0065121000000000, 0.0100954100000000 ] - [ -0.0002994700000000, 0.0017011400000000, 0.0020790600000000 ] - [ 0.0013880000000000, 0.0065121000000000, -0.0100954100000000 ] - [ -0.0002994700000000, 0.0017011400000000, -0.0020790600000000 ] - [ 0.0329881000000000, 0.0355990900000000, 0.0000000000000000 ] - [ -0.0090057900000000, 0.0001267000000000, 0.0000000000000000 ] - [ -0.0016810400000000, -0.0089320100000000, 0.0000000000000000 ] - [ -0.0005750200000000, -0.0023784100000000, 0.0000000000000000 ] - [ 0.0002994700000000, 0.0017011400000000, 0.0020790600000000 ] - [ -0.0013880000000000, 0.0065121000000000, 0.0100954100000000 ] - [ 0.0002994700000000, 0.0017011400000000, -0.0020790600000000 ] - [ -0.0013880000000000, 0.0065121000000000, -0.0100954100000000 ] - [ 0.0000000000000000, -0.4935433700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0054892700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0190170100000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0030381700000000, 0.0000000000000000 ] - [ 0.0020650300000000, 0.0051316700000000, 0.0002803600000000 ] - [ -0.0020650300000000, 0.0051316700000000, 0.0002803600000000 ] - [ 0.0020650300000000, 0.0051316700000000, -0.0002803600000000 ] - [ -0.0020650300000000, 0.0051316700000000, -0.0002803600000000 ] - [ -0.0014266800000000, 0.0065320400000000, 0.0000000000000000 ] - [ 0.0001867200000000, 0.0019114500000000, 0.0000000000000000 ] - [ -0.0008834800000000, 0.0052859400000000, 0.0000000000000000 ] - [ 0.0001205900000000, 0.0018774400000000, 0.0000000000000000 ] - [ -0.0041736700000000, 0.0003061700000000, -0.0000629700000000 ] - [ 0.0073270800000000, 0.0079514300000000, -0.0011579800000000 ] - [ -0.0041736700000000, 0.0003061700000000, 0.0000629700000000 ] - [ 0.0073270800000000, 0.0079514300000000, 0.0011579800000000 ] - [ -0.0001867200000000, 0.0019114500000000, 0.0000000000000000 ] - [ 0.0014266800000000, 0.0065320400000000, 0.0000000000000000 ] - [ -0.0001205900000000, 0.0018774400000000, 0.0000000000000000 ] - [ 0.0008834800000000, 0.0052859400000000, 0.0000000000000000 ] - [ -0.0073270800000000, 0.0079514300000000, -0.0011579800000000 ] - [ 0.0041736700000000, 0.0003061700000000, -0.0000629700000000 ] - [ -0.0073270800000000, 0.0079514300000000, 0.0011579800000000 ] - [ 0.0041736700000000, 0.0003061700000000, 0.0000629700000000 ] - [ -0.0015148400000000, 0.0055538200000000, 0.0000000000000000 ] - [ 0.0015148400000000, 0.0055538200000000, 0.0000000000000000 ] - [ -0.0013994000000000, 0.0051128800000000, 0.0000000000000000 ] - [ 0.0013994000000000, 0.0051128800000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0239772400000000, -0.0363389000000000 ] - [ 0.0000000000000000, -0.0039535500000000, 0.0007831900000000 ] - [ 0.0000000000000000, 0.0239772400000000, 0.0363389000000000 ] - [ 0.0000000000000000, -0.0039535500000000, -0.0007831900000000 ] - [ -0.0018432100000000, -0.0013352300000000, -0.0019304600000000 ] - [ 0.0024161300000000, -0.0096992900000000, -0.0086480000000000 ] - [ -0.0000340500000000, 0.0004758200000000, 0.0008864900000000 ] - [ 0.0006754100000000, 0.0022494100000000, 0.0040332300000000 ] - [ -0.0024161300000000, -0.0096992900000000, -0.0086480000000000 ] - [ 0.0018432100000000, -0.0013352300000000, -0.0019304600000000 ] - [ -0.0006754100000000, 0.0022494100000000, 0.0040332300000000 ] - [ 0.0000340500000000, 0.0004758200000000, 0.0008864900000000 ] - [ -0.0024161300000000, -0.0096992900000000, 0.0086480000000000 ] - [ 0.0018432100000000, -0.0013352300000000, 0.0019304600000000 ] - [ -0.0006754100000000, 0.0022494100000000, -0.0040332300000000 ] - [ 0.0000340500000000, 0.0004758200000000, -0.0008864900000000 ] - [ -0.0018432100000000, -0.0013352300000000, 0.0019304600000000 ] - [ 0.0024161300000000, -0.0096992900000000, 0.0086480000000000 ] - [ -0.0000340500000000, 0.0004758200000000, -0.0008864900000000 ] - [ 0.0006754100000000, 0.0022494100000000, -0.0040332300000000 ] - [ -0.0027552100000000, 0.0026465100000000, 0.0000000000000000 ] - [ -0.1096375500000000, 0.1040598800000000, 0.0000000000000000 ] - [ -0.0009141300000000, 0.0015823100000000, 0.0000000000000000 ] - [ -0.0047722200000000, 0.0078997600000000, 0.0000000000000000 ] - [ -0.0028356300000000, -0.0041130000000000, -0.0013901500000000 ] - [ -0.0002449000000000, -0.0014053300000000, -0.0003230700000000 ] - [ -0.0028356300000000, -0.0041130000000000, 0.0013901500000000 ] - [ -0.0002449000000000, -0.0014053300000000, 0.0003230700000000 ] - [ 0.1096375500000000, 0.1040598800000000, 0.0000000000000000 ] - [ 0.0027552100000000, 0.0026465100000000, 0.0000000000000000 ] - [ 0.0047722200000000, 0.0078997600000000, 0.0000000000000000 ] - [ 0.0009141300000000, 0.0015823100000000, 0.0000000000000000 ] - [ 0.0002449000000000, -0.0014053300000000, -0.0003230700000000 ] - [ 0.0028356300000000, -0.0041130000000000, -0.0013901500000000 ] - [ 0.0002449000000000, -0.0014053300000000, 0.0003230700000000 ] - [ 0.0028356300000000, -0.0041130000000000, 0.0013901500000000 ] - [ -0.0137597900000000, -0.0023614400000000, 0.0000000000000000 ] - [ 0.0137597900000000, -0.0023614400000000, 0.0000000000000000 ] - [ 0.0000347200000000, 0.0020255200000000, 0.0000000000000000 ] - [ -0.0000347200000000, 0.0020255200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0024152600000000, -0.0025346100000000 ] - [ 0.0000000000000000, -0.0010720800000000, -0.0005866100000000 ] - [ 0.0000000000000000, -0.0024152600000000, 0.0025346100000000 ] - [ 0.0000000000000000, -0.0010720800000000, 0.0005866100000000 ] - [ 0.0000000000000000, 0.1086761100000000, 0.1118120900000000 ] - [ 0.0000000000000000, 0.0024783900000000, 0.0017031000000000 ] - [ 0.0000000000000000, 0.0059675100000000, 0.0139109200000000 ] - [ 0.0000000000000000, 0.0016065000000000, 0.0006996600000000 ] - [ 0.0000000000000000, 0.1086761100000000, -0.1118120900000000 ] - [ 0.0000000000000000, 0.0024783900000000, -0.0017031000000000 ] - [ 0.0000000000000000, 0.0059675100000000, -0.0139109200000000 ] - [ 0.0000000000000000, 0.0016065000000000, -0.0006996600000000 ] - [ 0.0010333000000000, -0.0032497300000000, -0.0011407800000000 ] - [ -0.0008300000000000, -0.0007274800000000, -0.0005892700000000 ] - [ 0.0007371400000000, -0.0031719900000000, -0.0020042300000000 ] - [ -0.0008044700000000, -0.0007282900000000, -0.0006204700000000 ] - [ 0.0008300000000000, -0.0007274800000000, -0.0005892700000000 ] - [ -0.0010333000000000, -0.0032497300000000, -0.0011407800000000 ] - [ 0.0008044700000000, -0.0007282900000000, -0.0006204700000000 ] - [ -0.0007371400000000, -0.0031719900000000, -0.0020042300000000 ] - [ 0.0008300000000000, -0.0007274800000000, 0.0005892700000000 ] - [ -0.0010333000000000, -0.0032497300000000, 0.0011407800000000 ] - [ 0.0008044700000000, -0.0007282900000000, 0.0006204700000000 ] - [ -0.0007371400000000, -0.0031719900000000, 0.0020042300000000 ] - [ 0.0010333000000000, -0.0032497300000000, 0.0011407800000000 ] - [ -0.0008300000000000, -0.0007274800000000, 0.0005892700000000 ] - [ 0.0007371400000000, -0.0031719900000000, 0.0020042300000000 ] - [ -0.0008044700000000, -0.0007282900000000, 0.0006204700000000 ] - [ 0.0023715000000000, -0.0041050600000000, 0.0000000000000000 ] - [ 0.0003468000000000, -0.0019164200000000, 0.0000000000000000 ] - [ 0.0021368600000000, -0.0037536900000000, 0.0000000000000000 ] - [ 0.0003790300000000, -0.0018613000000000, 0.0000000000000000 ] - [ 0.0014106500000000, 0.0016839400000000, -0.0001005700000000 ] - [ -0.0070843500000000, -0.0092003000000000, 0.0044293200000000 ] - [ 0.0014106500000000, 0.0016839400000000, 0.0001005700000000 ] - [ -0.0070843500000000, -0.0092003000000000, -0.0044293200000000 ] - [ -0.0003468000000000, -0.0019164200000000, 0.0000000000000000 ] - [ -0.0023715000000000, -0.0041050600000000, 0.0000000000000000 ] - [ -0.0003790300000000, -0.0018613000000000, 0.0000000000000000 ] - [ -0.0021368600000000, -0.0037536900000000, 0.0000000000000000 ] - [ 0.0070843500000000, -0.0092003000000000, 0.0044293200000000 ] - [ -0.0014106500000000, 0.0016839400000000, -0.0001005700000000 ] - [ 0.0070843500000000, -0.0092003000000000, -0.0044293200000000 ] - [ -0.0014106500000000, 0.0016839400000000, 0.0001005700000000 ] - [ 0.0000000000000000, -0.0015170500000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002132800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0011413200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002058400000000, 0.0000000000000000 ] - [ 0.0044626000000000, -0.0012437900000000, 0.0001614600000000 ] - [ -0.0044626000000000, -0.0012437900000000, 0.0001614600000000 ] - [ 0.0044626000000000, -0.0012437900000000, -0.0001614600000000 ] - [ -0.0044626000000000, -0.0012437900000000, -0.0001614600000000 ] - [ -0.0000677700000000, -0.0026234600000000, -0.0014404900000000 ] - [ 0.0000677700000000, -0.0026234600000000, -0.0014404900000000 ] - [ -0.0000972100000000, -0.0025573800000000, -0.0015899600000000 ] - [ 0.0000972100000000, -0.0025573800000000, -0.0015899600000000 ] - [ -0.0000677700000000, -0.0026234600000000, 0.0014404900000000 ] - [ 0.0000677700000000, -0.0026234600000000, 0.0014404900000000 ] - [ -0.0000972100000000, -0.0025573800000000, 0.0015899600000000 ] - [ 0.0000972100000000, -0.0025573800000000, 0.0015899600000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0090022300000000, -0.0005220000000000, 0.0000000000000000 ] - [ 0.0327119600000000, -0.0359919100000000, 0.0000000000000000 ] - [ -0.0005588700000000, 0.0019888800000000, 0.0000000000000000 ] - [ -0.0016607700000000, 0.0085230000000000, 0.0000000000000000 ] - [ -0.0013626600000000, -0.0061196600000000, -0.0100713500000000 ] - [ 0.0003173700000000, -0.0013217600000000, -0.0020844300000000 ] - [ -0.0013626600000000, -0.0061196600000000, 0.0100713500000000 ] - [ 0.0003173700000000, -0.0013217600000000, 0.0020844300000000 ] - [ -0.0327119600000000, -0.0359919100000000, 0.0000000000000000 ] - [ 0.0090022300000000, -0.0005220000000000, 0.0000000000000000 ] - [ 0.0016607700000000, 0.0085230000000000, 0.0000000000000000 ] - [ 0.0005588700000000, 0.0019888800000000, 0.0000000000000000 ] - [ -0.0003173700000000, -0.0013217600000000, -0.0020844300000000 ] - [ 0.0013626600000000, -0.0061196600000000, -0.0100713500000000 ] - [ -0.0003173700000000, -0.0013217600000000, 0.0020844300000000 ] - [ 0.0013626600000000, -0.0061196600000000, 0.0100713500000000 ] - [ 0.0000000000000000, 0.4938733700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0057012300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0191987300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0032408900000000, 0.0000000000000000 ] - [ -0.0020558200000000, -0.0053352100000000, -0.0002795300000000 ] - [ 0.0020558200000000, -0.0053352100000000, -0.0002795300000000 ] - [ -0.0020558200000000, -0.0053352100000000, 0.0002795300000000 ] - [ 0.0020558200000000, -0.0053352100000000, 0.0002795300000000 ] - [ 0.0014517600000000, -0.0069346300000000, 0.0000000000000000 ] - [ -0.0001664500000000, -0.0022951400000000, 0.0000000000000000 ] - [ 0.0009058700000000, -0.0056753200000000, 0.0000000000000000 ] - [ -0.0001033000000000, -0.0022652000000000, 0.0000000000000000 ] - [ 0.0041994400000000, 0.0000869500000000, 0.0000631300000000 ] - [ -0.0073193600000000, -0.0075678400000000, 0.0011714300000000 ] - [ 0.0041994400000000, 0.0000869500000000, -0.0000631300000000 ] - [ -0.0073193600000000, -0.0075678400000000, -0.0011714300000000 ] - [ 0.0001664500000000, -0.0022951400000000, 0.0000000000000000 ] - [ -0.0014517600000000, -0.0069346300000000, 0.0000000000000000 ] - [ 0.0001033000000000, -0.0022652000000000, 0.0000000000000000 ] - [ -0.0009058700000000, -0.0056753200000000, 0.0000000000000000 ] - [ 0.0073193600000000, -0.0075678400000000, 0.0011714300000000 ] - [ -0.0041994400000000, 0.0000869500000000, 0.0000631300000000 ] - [ 0.0073193600000000, -0.0075678400000000, -0.0011714300000000 ] - [ -0.0041994400000000, 0.0000869500000000, -0.0000631300000000 ] - [ 0.0015162700000000, -0.0053608600000000, 0.0000000000000000 ] - [ -0.0015162700000000, -0.0053608600000000, 0.0000000000000000 ] - [ 0.0014006300000000, -0.0049172800000000, 0.0000000000000000 ] - [ -0.0014006300000000, -0.0049172800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0241463900000000, 0.0366213600000000 ] - [ 0.0000000000000000, 0.0037643800000000, -0.0007845000000000 ] - [ 0.0000000000000000, -0.0241463900000000, -0.0366213600000000 ] - [ 0.0000000000000000, 0.0037643800000000, 0.0007845000000000 ] - [ 0.0018487500000000, 0.0013441600000000, 0.0019397200000000 ] - [ -0.0023870200000000, 0.0097064100000000, 0.0086430600000000 ] - [ 0.0000334100000000, -0.0004730800000000, -0.0008862900000000 ] - [ -0.0006734200000000, -0.0022415300000000, -0.0040251500000000 ] - [ 0.0023870200000000, 0.0097064100000000, 0.0086430600000000 ] - [ -0.0018487500000000, 0.0013441600000000, 0.0019397200000000 ] - [ 0.0006734200000000, -0.0022415300000000, -0.0040251500000000 ] - [ -0.0000334100000000, -0.0004730800000000, -0.0008862900000000 ] - [ 0.0023870200000000, 0.0097064100000000, -0.0086430600000000 ] - [ -0.0018487500000000, 0.0013441600000000, -0.0019397200000000 ] - [ 0.0006734200000000, -0.0022415300000000, 0.0040251500000000 ] - [ -0.0000334100000000, -0.0004730800000000, 0.0008862900000000 ] - [ 0.0018487500000000, 0.0013441600000000, -0.0019397200000000 ] - [ -0.0023870200000000, 0.0097064100000000, -0.0086430600000000 ] - [ 0.0000334100000000, -0.0004730800000000, 0.0008862900000000 ] - [ -0.0006734200000000, -0.0022415300000000, 0.0040251500000000 ] - [ 0.0025435800000000, -0.0028241800000000, 0.0000000000000000 ] - [ 0.1048433000000000, -0.1024212400000000, 0.0000000000000000 ] - [ 0.0006962800000000, -0.0017547400000000, 0.0000000000000000 ] - [ 0.0045446300000000, -0.0080598400000000, 0.0000000000000000 ] - [ 0.0026163600000000, 0.0042838400000000, 0.0013875700000000 ] - [ 0.0000313700000000, 0.0015853900000000, 0.0003231500000000 ] - [ 0.0026163600000000, 0.0042838400000000, -0.0013875700000000 ] - [ 0.0000313700000000, 0.0015853900000000, -0.0003231500000000 ] - [ -0.1048433000000000, -0.1024212400000000, 0.0000000000000000 ] - [ -0.0025435800000000, -0.0028241800000000, 0.0000000000000000 ] - [ -0.0045446300000000, -0.0080598400000000, 0.0000000000000000 ] - [ -0.0006962800000000, -0.0017547400000000, 0.0000000000000000 ] - [ -0.0000313700000000, 0.0015853900000000, 0.0003231500000000 ] - [ -0.0026163600000000, 0.0042838400000000, 0.0013875700000000 ] - [ -0.0000313700000000, 0.0015853900000000, -0.0003231500000000 ] - [ -0.0026163600000000, 0.0042838400000000, -0.0013875700000000 ] - [ 0.0138209300000000, 0.0033945600000000, 0.0000000000000000 ] - [ -0.0138209300000000, 0.0033945600000000, 0.0000000000000000 ] - [ -0.0000349300000000, -0.0010247100000000, 0.0000000000000000 ] - [ 0.0000349300000000, -0.0010247100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0014091000000000, 0.0025291400000000 ] - [ 0.0000000000000000, 0.0000727800000000, 0.0005877600000000 ] - [ 0.0000000000000000, 0.0014091000000000, -0.0025291400000000 ] - [ 0.0000000000000000, 0.0000727800000000, -0.0005877600000000 ] - [ 0.0000000000000000, -0.1105816300000000, -0.1166144000000000 ] - [ 0.0000000000000000, -0.0024837600000000, -0.0017070200000000 ] - [ 0.0000000000000000, -0.0059683700000000, -0.0138737500000000 ] - [ 0.0000000000000000, -0.0016101000000000, -0.0007013600000000 ] - [ 0.0000000000000000, -0.1105816300000000, 0.1166144000000000 ] - [ 0.0000000000000000, -0.0024837600000000, 0.0017070200000000 ] - [ 0.0000000000000000, -0.0059683700000000, 0.0138737500000000 ] - [ 0.0000000000000000, -0.0016101000000000, 0.0007013600000000 ] - [ -0.0010371500000000, 0.0032521200000000, 0.0011351000000000 ] - [ 0.0008314800000000, 0.0007273400000000, 0.0005890600000000 ] - [ -0.0007368100000000, 0.0031722200000000, 0.0020057100000000 ] - [ 0.0008040500000000, 0.0007277000000000, 0.0006208300000000 ] - [ -0.0008314800000000, 0.0007273400000000, 0.0005890600000000 ] - [ 0.0010371500000000, 0.0032521200000000, 0.0011351000000000 ] - [ -0.0008040500000000, 0.0007277000000000, 0.0006208300000000 ] - [ 0.0007368100000000, 0.0031722200000000, 0.0020057100000000 ] - [ -0.0008314800000000, 0.0007273400000000, -0.0005890600000000 ] - [ 0.0010371500000000, 0.0032521200000000, -0.0011351000000000 ] - [ -0.0008040500000000, 0.0007277000000000, -0.0006208300000000 ] - [ 0.0007368100000000, 0.0031722200000000, -0.0020057100000000 ] - [ -0.0010371500000000, 0.0032521200000000, -0.0011351000000000 ] - [ 0.0008314800000000, 0.0007273400000000, -0.0005890600000000 ] - [ -0.0007368100000000, 0.0031722200000000, -0.0020057100000000 ] - [ 0.0008040500000000, 0.0007277000000000, -0.0006208300000000 ] - [ -0.0025959100000000, 0.0039349600000000, 0.0000000000000000 ] - [ -0.0005632600000000, 0.0017465700000000, 0.0000000000000000 ] - [ -0.0023564800000000, 0.0035842500000000, 0.0000000000000000 ] - [ -0.0005977100000000, 0.0016902400000000, 0.0000000000000000 ] - [ -0.0016314600000000, -0.0015178000000000, 0.0001004600000000 ] - [ 0.0068594700000000, 0.0093526100000000, -0.0044499400000000 ] - [ -0.0016314600000000, -0.0015178000000000, -0.0001004600000000 ] - [ 0.0068594700000000, 0.0093526100000000, 0.0044499400000000 ] - [ 0.0005632600000000, 0.0017465700000000, 0.0000000000000000 ] - [ 0.0025959100000000, 0.0039349600000000, 0.0000000000000000 ] - [ 0.0005977100000000, 0.0016902400000000, 0.0000000000000000 ] - [ 0.0023564800000000, 0.0035842500000000, 0.0000000000000000 ] - [ -0.0068594700000000, 0.0093526100000000, -0.0044499400000000 ] - [ 0.0016314600000000, -0.0015178000000000, 0.0001004600000000 ] - [ -0.0068594700000000, 0.0093526100000000, 0.0044499400000000 ] - [ 0.0016314600000000, -0.0015178000000000, -0.0001004600000000 ] - [ 0.0000000000000000, 0.0025208500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0012189300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0021455100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0012045000000000, 0.0000000000000000 ] - [ -0.0044676100000000, 0.0002417200000000, -0.0001630100000000 ] - [ 0.0044676100000000, 0.0002417200000000, -0.0001630100000000 ] - [ -0.0044676100000000, 0.0002417200000000, 0.0001630100000000 ] - [ 0.0044676100000000, 0.0002417200000000, 0.0001630100000000 ] - [ 0.0000661900000000, 0.0026255900000000, 0.0014424700000000 ] - [ -0.0000661900000000, 0.0026255900000000, 0.0014424700000000 ] - [ 0.0000962900000000, 0.0025591400000000, 0.0015905600000000 ] - [ -0.0000962900000000, 0.0025591400000000, 0.0015905600000000 ] - [ 0.0000661900000000, 0.0026255900000000, -0.0014424700000000 ] - [ -0.0000661900000000, 0.0026255900000000, -0.0014424700000000 ] - [ 0.0000962900000000, 0.0025591400000000, -0.0015905600000000 ] - [ -0.0000962900000000, 0.0025591400000000, -0.0015905600000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000009500000000, -0.0001982700000000, -0.0006892800000000 ] - [ 0.0000209100000000, -0.0001970400000000, -0.0023307900000000 ] - [ 0.0000148600000000, -0.0001931500000000, 0.0005338600000000 ] - [ -0.0000032100000000, -0.0001795400000000, 0.0032763000000000 ] - [ 0.0010200500000000, 0.0019665900000000, 0.0002044400000000 ] - [ -0.0000995100000000, 0.0002121800000000, 0.0000175200000000 ] - [ -0.0009931200000000, -0.0015704400000000, 0.0002343800000000 ] - [ 0.0001200000000000, 0.0001777500000000, 0.0000261000000000 ] - [ -0.0000209100000000, -0.0001970400000000, -0.0023307900000000 ] - [ -0.0000009500000000, -0.0001982700000000, -0.0006892800000000 ] - [ 0.0000032100000000, -0.0001795400000000, 0.0032763000000000 ] - [ -0.0000148600000000, -0.0001931500000000, 0.0005338600000000 ] - [ 0.0000995100000000, 0.0002121800000000, 0.0000175200000000 ] - [ -0.0010200500000000, 0.0019665900000000, 0.0002044400000000 ] - [ -0.0001200000000000, 0.0001777500000000, 0.0000261000000000 ] - [ 0.0009931200000000, -0.0015704400000000, 0.0002343800000000 ] - [ 0.0000000000000000, 0.0095209500000000, -0.4912412900000000 ] - [ 0.0000000000000000, 0.0001032900000000, -0.0009376500000000 ] - [ 0.0000000000000000, 0.0001221100000000, 0.0271609900000000 ] - [ 0.0000000000000000, 0.0000976200000000, 0.0009159500000000 ] - [ 0.0003174600000000, 0.0001802600000000, 0.0000050900000000 ] - [ -0.0003174600000000, 0.0001802600000000, 0.0000050900000000 ] - [ -0.0003148200000000, -0.0003793600000000, 0.0000066600000000 ] - [ 0.0003148200000000, -0.0003793600000000, 0.0000066600000000 ] - [ 0.0000084300000000, -0.0001952000000000, -0.0056550100000000 ] - [ 0.0000109600000000, -0.0001942600000000, -0.0014118700000000 ] - [ 0.0000106400000000, -0.0001971700000000, 0.0056684100000000 ] - [ 0.0000090700000000, -0.0001966000000000, 0.0014004500000000 ] - [ 0.0026806800000000, -0.0009234700000000, 0.0000242600000000 ] - [ -0.0073859800000000, -0.0116826400000000, -0.0002219800000000 ] - [ -0.0026607500000000, 0.0013158300000000, 0.0000268000000000 ] - [ 0.0073960600000000, 0.0120623700000000, -0.0002175500000000 ] - [ -0.0000109600000000, -0.0001942600000000, -0.0014118700000000 ] - [ -0.0000084300000000, -0.0001952000000000, -0.0056550100000000 ] - [ -0.0000090700000000, -0.0001966000000000, 0.0014004500000000 ] - [ -0.0000106400000000, -0.0001971700000000, 0.0056684100000000 ] - [ 0.0073859800000000, -0.0116826400000000, -0.0002219800000000 ] - [ -0.0026806800000000, -0.0009234700000000, 0.0000242600000000 ] - [ -0.0073960600000000, 0.0120623700000000, -0.0002175500000000 ] - [ 0.0026607500000000, 0.0013158300000000, 0.0000268000000000 ] - [ -0.0000020500000000, 0.0000978000000000, -0.0004014300000000 ] - [ 0.0000020500000000, 0.0000978000000000, -0.0004014300000000 ] - [ -0.0000003800000000, 0.0000983200000000, 0.0003945600000000 ] - [ 0.0000003800000000, 0.0000983200000000, 0.0003945600000000 ] - [ 0.0000000000000000, -0.0367778400000000, 0.0563487800000000 ] - [ 0.0000000000000000, 0.0006858000000000, 0.0000100200000000 ] - [ 0.0000000000000000, 0.0361842600000000, 0.0561421600000000 ] - [ 0.0000000000000000, -0.0008802500000000, 0.0000134700000000 ] - [ -0.0000605900000000, -0.0000016800000000, 0.0001446100000000 ] - [ 0.0008060300000000, 0.0010067900000000, 0.0020626400000000 ] - [ 0.0000240200000000, -0.0000283600000000, -0.0001694600000000 ] - [ -0.0004314400000000, 0.0001687000000000, -0.0011961400000000 ] - [ -0.0008060300000000, 0.0010067900000000, 0.0020626400000000 ] - [ 0.0000605900000000, -0.0000016800000000, 0.0001446100000000 ] - [ 0.0004314400000000, 0.0001687000000000, -0.0011961400000000 ] - [ -0.0000240200000000, -0.0000283600000000, -0.0001694600000000 ] - [ 0.0008077100000000, -0.0009749700000000, 0.0020189900000000 ] - [ -0.0000650700000000, 0.0000068500000000, 0.0001373500000000 ] - [ -0.0004345500000000, -0.0001842000000000, -0.0011832100000000 ] - [ 0.0000275200000000, 0.0000260800000000, -0.0001656000000000 ] - [ 0.0000650700000000, 0.0000068500000000, 0.0001373500000000 ] - [ -0.0008077100000000, -0.0009749700000000, 0.0020189900000000 ] - [ -0.0000275200000000, 0.0000260800000000, -0.0001656000000000 ] - [ 0.0004345500000000, -0.0001842000000000, -0.0011832100000000 ] - [ -0.0001034800000000, -0.0000861000000000, 0.0002678300000000 ] - [ 0.0006076400000000, -0.0006587200000000, 0.0294204000000000 ] - [ -0.0001084300000000, -0.0000840900000000, -0.0002398700000000 ] - [ -0.0000992200000000, -0.0000963100000000, -0.0043666500000000 ] - [ -0.0004338800000000, -0.0002590800000000, 0.0000216600000000 ] - [ -0.0000149900000000, 0.0000702500000000, -0.0000032500000000 ] - [ 0.0002213800000000, 0.0004284400000000, 0.0000179600000000 ] - [ -0.0001990500000000, 0.0001025400000000, -0.0000037700000000 ] - [ -0.0006076400000000, -0.0006587200000000, 0.0294204000000000 ] - [ 0.0001034800000000, -0.0000861000000000, 0.0002678300000000 ] - [ 0.0000992200000000, -0.0000963100000000, -0.0043666500000000 ] - [ 0.0001084300000000, -0.0000840900000000, -0.0002398700000000 ] - [ 0.0000149900000000, 0.0000702500000000, -0.0000032500000000 ] - [ 0.0004338800000000, -0.0002590800000000, 0.0000216600000000 ] - [ 0.0001990500000000, 0.0001025400000000, -0.0000037700000000 ] - [ -0.0002213800000000, 0.0004284400000000, 0.0000179600000000 ] - [ 0.0000256300000000, 0.0005154100000000, 0.0001438800000000 ] - [ -0.0000256300000000, 0.0005154100000000, 0.0001438800000000 ] - [ -0.0000074000000000, 0.0004999200000000, -0.0006236600000000 ] - [ 0.0000074000000000, 0.0004999200000000, -0.0006236600000000 ] - [ 0.0000000000000000, -0.0010372800000000, -0.0000628100000000 ] - [ 0.0000000000000000, -0.0005044500000000, -0.0000076200000000 ] - [ 0.0000000000000000, 0.0000220900000000, -0.0000697600000000 ] - [ 0.0000000000000000, -0.0005045000000000, -0.0000093300000000 ] - [ 0.0000000000000000, 0.1087826200000000, 0.1825235400000000 ] - [ 0.0000000000000000, 0.0003385600000000, 0.0004894800000000 ] - [ 0.0000000000000000, -0.0048551300000000, -0.0236847900000000 ] - [ 0.0000000000000000, -0.0003389100000000, -0.0004896600000000 ] - [ 0.0000000000000000, -0.1167739700000000, 0.1916905100000000 ] - [ 0.0000000000000000, -0.0003413000000000, 0.0004920400000000 ] - [ 0.0000000000000000, 0.0048870100000000, -0.0236576400000000 ] - [ 0.0000000000000000, 0.0003388900000000, -0.0004907400000000 ] - [ -0.0003114600000000, 0.0033870200000000, 0.0036308400000000 ] - [ 0.0005649500000000, 0.0006331400000000, 0.0009471400000000 ] - [ 0.0002974400000000, -0.0038053200000000, -0.0039344600000000 ] - [ -0.0005599200000000, -0.0006254600000000, -0.0009437000000000 ] - [ -0.0005649500000000, 0.0006331400000000, 0.0009471400000000 ] - [ 0.0003114600000000, 0.0033870200000000, 0.0036308400000000 ] - [ 0.0005599200000000, -0.0006254600000000, -0.0009437000000000 ] - [ -0.0002974400000000, -0.0038053200000000, -0.0039344600000000 ] - [ 0.0005643900000000, -0.0006318900000000, 0.0009463000000000 ] - [ -0.0003123800000000, -0.0033865100000000, 0.0036276300000000 ] - [ -0.0005589900000000, 0.0006254500000000, -0.0009437800000000 ] - [ 0.0002977600000000, 0.0038043400000000, -0.0039314100000000 ] - [ 0.0003123800000000, -0.0033865100000000, 0.0036276300000000 ] - [ -0.0005643900000000, -0.0006318900000000, 0.0009463000000000 ] - [ -0.0002977600000000, 0.0038043400000000, -0.0039314100000000 ] - [ 0.0005589900000000, 0.0006254500000000, -0.0009437800000000 ] - [ -0.0001074400000000, -0.0000862700000000, 0.0008234300000000 ] - [ -0.0001066200000000, -0.0000832500000000, 0.0002452700000000 ] - [ -0.0001070700000000, -0.0000845000000000, -0.0008576200000000 ] - [ -0.0001075600000000, -0.0000839400000000, -0.0002439900000000 ] - [ -0.0007232700000000, -0.0001225200000000, -0.0000088300000000 ] - [ 0.0110638300000000, 0.0153720700000000, -0.0070540200000000 ] - [ 0.0005088300000000, 0.0002897400000000, -0.0000091900000000 ] - [ -0.0112949800000000, -0.0151954100000000, -0.0070731700000000 ] - [ 0.0001066200000000, -0.0000832500000000, 0.0002452700000000 ] - [ 0.0001074400000000, -0.0000862700000000, 0.0008234300000000 ] - [ 0.0001075600000000, -0.0000839400000000, -0.0002439900000000 ] - [ 0.0001070700000000, -0.0000845000000000, -0.0008576200000000 ] - [ -0.0110638300000000, 0.0153720700000000, -0.0070540200000000 ] - [ 0.0007232700000000, -0.0001225200000000, -0.0000088300000000 ] - [ 0.0112949800000000, -0.0151954100000000, -0.0070731700000000 ] - [ -0.0005088300000000, 0.0002897400000000, -0.0000091900000000 ] - [ 0.0000000000000000, 0.0005033100000000, 0.0014095700000000 ] - [ 0.0000000000000000, 0.0005071200000000, 0.0003961700000000 ] - [ 0.0000000000000000, 0.0005050100000000, -0.0014064700000000 ] - [ 0.0000000000000000, 0.0005022800000000, -0.0003947300000000 ] - [ -0.0036438900000000, 0.0009251300000000, 0.0000171400000000 ] - [ 0.0036438900000000, 0.0009251300000000, 0.0000171400000000 ] - [ 0.0036454500000000, -0.0019322400000000, 0.0000165500000000 ] - [ -0.0036454500000000, -0.0019322400000000, 0.0000165500000000 ] - [ 0.0000360200000000, 0.0001162100000000, 0.0001970600000000 ] - [ -0.0000360200000000, 0.0001162100000000, 0.0001970600000000 ] - [ -0.0000327500000000, -0.0001140700000000, -0.0001960700000000 ] - [ 0.0000327500000000, -0.0001140700000000, -0.0001960700000000 ] - [ -0.0000359200000000, -0.0001160700000000, 0.0001967100000000 ] - [ 0.0000359200000000, -0.0001160700000000, 0.0001967100000000 ] - [ 0.0000332300000000, 0.0001152700000000, -0.0001965300000000 ] - [ -0.0000332300000000, 0.0001152700000000, -0.0001965300000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0403051300000000, 0.0251463600000000, 0.0380573600000000 ] - [ -0.0027374900000000, 0.0002636400000000, 0.0001637900000000 ] - [ 0.0019919900000000, 0.0008978200000000, -0.0016954800000000 ] - [ -0.0018419100000000, -0.0001531800000000, -0.0001611800000000 ] - [ -0.0029950200000000, 0.0025614500000000, 0.0033526800000000 ] - [ -0.0136431400000000, 0.0030310200000000, -0.0008369700000000 ] - [ -0.0012231600000000, 0.0022262800000000, -0.0026417100000000 ] - [ 0.0007675500000000, -0.0009256200000000, 0.0007242700000000 ] - [ -0.0136256400000000, 0.0026363100000000, -0.0008234600000000 ] - [ -0.0030252000000000, 0.0021899800000000, 0.0033747300000000 ] - [ 0.0007304200000000, -0.0013129900000000, 0.0007201700000000 ] - [ -0.0012354400000000, 0.0018435600000000, -0.0026503500000000 ] - [ 0.0396525100000000, 0.0253663000000000, 0.0377710700000000 ] - [ -0.0027605900000000, 0.0006540700000000, 0.0001602900000000 ] - [ 0.0019930600000000, 0.0013386700000000, -0.0017246300000000 ] - [ -0.0018598800000000, 0.0002374400000000, -0.0001607300000000 ] - [ -0.0033082600000000, -0.0017441700000000, -0.0000633400000000 ] - [ 0.0001472300000000, 0.0024920500000000, 0.0008135500000000 ] - [ -0.0010779300000000, 0.0000655600000000, 0.0000251700000000 ] - [ 0.0010680200000000, 0.0007713300000000, -0.0004354100000000 ] - [ 0.0000845100000000, 0.0023124300000000, 0.0007994100000000 ] - [ -0.0033137200000000, -0.0019494400000000, -0.0000633000000000 ] - [ 0.0010589400000000, 0.0005775200000000, -0.0004315500000000 ] - [ -0.0010763000000000, -0.0001336800000000, 0.0000271100000000 ] - [ -0.0003512400000000, -0.0001104700000000, -0.0000088600000000 ] - [ 0.0003026800000000, -0.0004991000000000, 0.0000681400000000 ] - [ -0.0003143300000000, -0.0001479100000000, 0.0000078200000000 ] - [ 0.0002948100000000, -0.0004865800000000, -0.0000675400000000 ] - [ 0.0006676100000000, 0.0003319400000000, 0.0000356700000000 ] - [ -0.0005737100000000, -0.0001377500000000, 0.0000129100000000 ] - [ 0.0006091800000000, 0.0003060100000000, -0.0000317400000000 ] - [ -0.0005379600000000, -0.0001343100000000, -0.0000132900000000 ] - [ 0.0006489500000000, -0.0000591800000000, 0.0000338800000000 ] - [ -0.0005963500000000, -0.0005330800000000, 0.0000125100000000 ] - [ 0.0005911900000000, -0.0000883600000000, -0.0000353300000000 ] - [ -0.0005607300000000, -0.0005275700000000, -0.0000122700000000 ] - [ 0.0002793400000000, -0.0001065000000000, 0.0000677400000000 ] - [ -0.0003691700000000, 0.0002805500000000, -0.0000089700000000 ] - [ 0.0002728800000000, -0.0000931200000000, -0.0000670000000000 ] - [ -0.0003313500000000, 0.0002413500000000, 0.0000077600000000 ] - [ 0.0004690900000000, 0.0011335900000000, -0.0003142900000000 ] - [ -0.0004840700000000, -0.0007342100000000, 0.0005655600000000 ] - [ 0.0004173200000000, 0.0008385300000000, 0.0003017100000000 ] - [ -0.0004431600000000, -0.0007077000000000, -0.0005610500000000 ] - [ -0.0004881900000000, -0.0009247600000000, 0.0005640200000000 ] - [ 0.0004718500000000, 0.0009357800000000, -0.0003090900000000 ] - [ -0.0004458400000000, -0.0008991700000000, -0.0005574400000000 ] - [ 0.0004155700000000, 0.0006354100000000, 0.0002939800000000 ] - [ -0.0716551100000000, -0.0687645500000000, -0.1022618300000000 ] - [ 0.0009249000000000, -0.0000845200000000, 0.0000164100000000 ] - [ -0.0003629700000000, -0.0000080700000000, 0.0010092000000000 ] - [ 0.0006128800000000, 0.0001599800000000, 0.0003124400000000 ] - [ 0.0030941700000000, -0.0015823500000000, -0.0020336200000000 ] - [ 0.0031085300000000, -0.0015840000000000, -0.0020366400000000 ] - [ -0.0000095400000000, 0.0000813300000000, 0.0005871900000000 ] - [ -0.0000117500000000, 0.0000836300000000, 0.0005921300000000 ] - [ 0.0022537900000000, -0.0022863300000000, 0.0029828800000000 ] - [ 0.0002446600000000, 0.0002732100000000, -0.0013178800000000 ] - [ 0.0002473000000000, 0.0002707900000000, -0.0013076600000000 ] - [ 0.0022595100000000, -0.0022940500000000, 0.0029946800000000 ] - [ -0.0071072300000000, -0.0009553000000000, 0.0025231600000000 ] - [ 0.0007589600000000, 0.0000410300000000, -0.0001665800000000 ] - [ -0.0071233700000000, -0.0009473000000000, 0.0024427600000000 ] - [ 0.0007575500000000, 0.0000394500000000, -0.0001641000000000 ] - [ -0.0060698000000000, -0.0050480800000000, -0.0037948900000000 ] - [ 0.0016399300000000, -0.0007458800000000, -0.0000006900000000 ] - [ -0.0008815800000000, 0.0000089700000000, 0.0003354900000000 ] - [ 0.0006969400000000, -0.0005179500000000, 0.0000125600000000 ] - [ -0.0003740800000000, -0.0012130100000000, -0.0006904300000000 ] - [ 0.0041190100000000, 0.0024434200000000, -0.0000532600000000 ] - [ -0.0005672500000000, -0.0007799400000000, 0.0004308700000000 ] - [ 0.0002969300000000, 0.0005517300000000, -0.0000945400000000 ] - [ 0.0043284000000000, 0.0022611200000000, -0.0000528600000000 ] - [ -0.0001695200000000, -0.0013981900000000, -0.0006959800000000 ] - [ 0.0005224200000000, 0.0003763800000000, -0.0000959500000000 ] - [ -0.0003537800000000, -0.0009572500000000, 0.0004337400000000 ] - [ -0.0058051300000000, -0.0049179400000000, -0.0038199000000000 ] - [ 0.0018596900000000, -0.0005723800000000, -0.0000022900000000 ] - [ -0.0006516400000000, 0.0001717900000000, 0.0003346300000000 ] - [ 0.0009163700000000, -0.0003422300000000, 0.0000118700000000 ] - [ 0.0162156500000000, 0.0114456500000000, 0.0146338900000000 ] - [ 0.0022195500000000, 0.0001066700000000, -0.0004461900000000 ] - [ -0.0016205500000000, 0.0002907300000000, 0.0000471600000000 ] - [ 0.0015710700000000, 0.0001900800000000, 0.0003938200000000 ] - [ 0.0022188000000000, -0.0008993900000000, -0.0004454600000000 ] - [ 0.0164016400000000, 0.0106570700000000, 0.0148464800000000 ] - [ 0.0015701400000000, -0.0008096000000000, 0.0003895600000000 ] - [ -0.0016365200000000, -0.0007167700000000, 0.0000471300000000 ] - [ 0.0005088800000000, 0.0007385800000000, 0.0006279700000000 ] - [ -0.0000836700000000, -0.0006598900000000, -0.0006597900000000 ] - [ 0.0002330900000000, 0.0001207100000000, -0.0001112600000000 ] - [ -0.0002246200000000, -0.0003879800000000, 0.0000228900000000 ] - [ 0.0005208600000000, 0.0007563500000000, -0.0006163700000000 ] - [ -0.0002370900000000, -0.0007482000000000, 0.0003737700000000 ] - [ 0.0002219100000000, 0.0001187300000000, 0.0000920100000000 ] - [ -0.0002171600000000, -0.0002912200000000, 0.0001821800000000 ] - [ 0.0000161100000000, 0.0000456800000000, 0.0000110100000000 ] - [ 0.0000149700000000, 0.0000469700000000, 0.0000121200000000 ] - [ 0.0000153100000000, 0.0000554300000000, 0.0000470700000000 ] - [ 0.0000136100000000, 0.0000564600000000, 0.0000473600000000 ] - [ -0.0002022700000000, -0.0000386400000000, -0.0000008600000000 ] - [ 0.0001705800000000, 0.0001252400000000, 0.0000270300000000 ] - [ -0.0001829100000000, -0.0000291100000000, 0.0000318300000000 ] - [ 0.0001522600000000, 0.0001377500000000, 0.0000601400000000 ] - [ -0.0001920300000000, -0.0000333700000000, -0.0000158700000000 ] - [ 0.0001613100000000, 0.0001317900000000, -0.0000446400000000 ] - [ -0.0001918400000000, -0.0000352000000000, -0.0000152500000000 ] - [ 0.0001615000000000, 0.0001316200000000, -0.0000426700000000 ] - [ 0.0000151100000000, 0.0000420100000000, -0.0000022100000000 ] - [ 0.0000153000000000, 0.0000605300000000, -0.0000569800000000 ] - [ 0.0000155000000000, 0.0000596200000000, -0.0000562000000000 ] - [ 0.0000138900000000, 0.0000432900000000, -0.0000030800000000 ] - [ 0.0000089000000000, -0.0003724200000000, 0.0000428200000000 ] - [ -0.0001739100000000, 0.0002423600000000, -0.0000934500000000 ] - [ -0.0000205700000000, -0.0003094700000000, -0.0000426000000000 ] - [ -0.0001801200000000, 0.0002286700000000, 0.0000946500000000 ] - [ -0.0006291700000000, -0.0003159000000000, 0.0000226100000000 ] - [ 0.0003688400000000, 0.0005398000000000, -0.0000742400000000 ] - [ -0.0005610300000000, -0.0002527900000000, -0.0000186400000000 ] - [ 0.0003477300000000, 0.0005282600000000, 0.0000753700000000 ] - [ -0.0004095900000000, -0.0004873500000000, 0.0000207800000000 ] - [ 0.0005903500000000, 0.0003660000000000, -0.0000767200000000 ] - [ -0.0003382500000000, -0.0004327800000000, -0.0000221800000000 ] - [ 0.0005697100000000, 0.0003591500000000, 0.0000738700000000 ] - [ 0.0000478500000000, 0.0004114800000000, -0.0000945400000000 ] - [ 0.0002278800000000, -0.0001984500000000, 0.0000404300000000 ] - [ 0.0000430700000000, 0.0003967900000000, 0.0000935400000000 ] - [ 0.0001961000000000, -0.0001324700000000, -0.0000435400000000 ] - [ 0.0003892100000000, 0.0005095400000000, -0.0000003200000000 ] - [ -0.0003902400000000, 0.0005963900000000, -0.0000296300000000 ] - [ 0.0003606100000000, 0.0005184500000000, 0.0000002500000000 ] - [ -0.0003670700000000, 0.0005860500000000, 0.0000280100000000 ] - [ -0.0003874500000000, -0.0004094500000000, -0.0000284000000000 ] - [ 0.0003860000000000, -0.0004942000000000, 0.0000000000000000 ] - [ -0.0003638600000000, -0.0004140700000000, 0.0000306700000000 ] - [ 0.0003594900000000, -0.0004854500000000, -0.0000005600000000 ] - [ -0.0002216400000000, -0.0003880100000000, 0.0000220700000000 ] - [ 0.0002328700000000, 0.0001207400000000, -0.0001109800000000 ] - [ -0.0000738600000000, -0.0006691900000000, -0.0006666800000000 ] - [ 0.0005102600000000, 0.0007420300000000, 0.0006291800000000 ] - [ -0.0002316100000000, -0.0007535400000000, 0.0003812400000000 ] - [ 0.0005223900000000, 0.0007603300000000, -0.0006197100000000 ] - [ -0.0002125000000000, -0.0002904300000000, 0.0001791200000000 ] - [ 0.0002219800000000, 0.0001187200000000, 0.0000936800000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0249284900000000, 0.0969827400000000, 0.0990900500000000 ] - [ -0.0001160500000000, 0.0010714000000000, 0.0004044400000000 ] - [ 0.0010880700000000, 0.0043682900000000, -0.0045016700000000 ] - [ -0.0005159900000000, 0.0003458400000000, -0.0004014300000000 ] - [ 0.0025983600000000, 0.0059284000000000, 0.0019735700000000 ] - [ -0.0128988400000000, 0.0064600200000000, 0.0022164300000000 ] - [ -0.0001102000000000, 0.0027458800000000, -0.0023741500000000 ] - [ 0.0003642900000000, 0.0012241800000000, -0.0009872900000000 ] - [ -0.0129435400000000, 0.0060709800000000, 0.0022150500000000 ] - [ 0.0025721900000000, 0.0055167800000000, 0.0019720600000000 ] - [ 0.0003229400000000, 0.0008359800000000, -0.0009889800000000 ] - [ -0.0001230900000000, 0.0023511500000000, -0.0023727500000000 ] - [ 0.0259697000000000, 0.0986898400000000, 0.1034642500000000 ] - [ -0.0001386300000000, 0.0014613600000000, 0.0004026100000000 ] - [ 0.0010849500000000, 0.0048285500000000, -0.0045445900000000 ] - [ -0.0005370400000000, 0.0007370700000000, -0.0004019200000000 ] - [ -0.0022108900000000, -0.0012435800000000, -0.0000046500000000 ] - [ 0.0167130200000000, -0.0095882200000000, 0.0009853600000000 ] - [ -0.0002714300000000, 0.0005711900000000, -0.0000277900000000 ] - [ 0.0003153200000000, 0.0023330000000000, 0.0001758600000000 ] - [ 0.0167819500000000, -0.0098160300000000, 0.0009961500000000 ] - [ -0.0022071700000000, -0.0014356500000000, -0.0000045200000000 ] - [ 0.0003071700000000, 0.0021578400000000, 0.0001769500000000 ] - [ -0.0002685900000000, 0.0003778200000000, -0.0000269000000000 ] - [ 0.0006779000000000, -0.0018245600000000, 0.0000713500000000 ] - [ -0.0003337100000000, -0.0015610100000000, 0.0001143400000000 ] - [ 0.0007190300000000, -0.0018230000000000, -0.0000635800000000 ] - [ -0.0003561700000000, -0.0014480200000000, -0.0001156000000000 ] - [ -0.0005826000000000, -0.0021782200000000, 0.0001777800000000 ] - [ 0.0002230700000000, -0.0005707700000000, 0.0000405900000000 ] - [ -0.0005854500000000, -0.0019860100000000, -0.0001740000000000 ] - [ 0.0002486800000000, -0.0005579500000000, -0.0000408200000000 ] - [ -0.0006066200000000, -0.0025694200000000, 0.0001775400000000 ] - [ 0.0002022900000000, -0.0009621700000000, 0.0000404300000000 ] - [ -0.0006093300000000, -0.0023812000000000, -0.0001772700000000 ] - [ 0.0002282500000000, -0.0009480100000000, -0.0000403700000000 ] - [ -0.0003530400000000, -0.0011741000000000, 0.0001141900000000 ] - [ 0.0006536700000000, -0.0014316500000000, 0.0000706900000000 ] - [ -0.0003743300000000, -0.0010598600000000, -0.0001154400000000 ] - [ 0.0006948300000000, -0.0014304900000000, -0.0000632200000000 ] - [ 0.0004585400000000, -0.0031553900000000, 0.0033943900000000 ] - [ -0.0001965000000000, -0.0006270500000000, 0.0006328100000000 ] - [ 0.0001851400000000, -0.0030755500000000, -0.0038132600000000 ] - [ -0.0001635400000000, -0.0006276000000000, -0.0006256900000000 ] - [ -0.0001987800000000, -0.0008269000000000, 0.0006328900000000 ] - [ 0.0004570700000000, -0.0033449400000000, 0.0033792700000000 ] - [ -0.0001648400000000, -0.0008277300000000, -0.0006248600000000 ] - [ 0.0001819300000000, -0.0032668500000000, -0.0037961800000000 ] - [ -0.0687754400000000, -0.2293518100000000, -0.2728154500000000 ] - [ -0.0000842900000000, -0.0007706100000000, -0.0007466600000000 ] - [ -0.0000077100000000, -0.0003659700000000, 0.0027034100000000 ] - [ 0.0001602700000000, -0.0000965200000000, 0.0002223200000000 ] - [ 0.0015868200000000, -0.0036880000000000, -0.0035696200000000 ] - [ 0.0015805000000000, -0.0036820400000000, -0.0035659300000000 ] - [ -0.0000804000000000, -0.0003018100000000, 0.0008049700000000 ] - [ -0.0000831400000000, -0.0002981200000000, 0.0008082700000000 ] - [ 0.0022908200000000, -0.0029413400000000, 0.0025541500000000 ] - [ -0.0002738500000000, -0.0013823000000000, 0.0004615700000000 ] - [ -0.0002696600000000, -0.0013893700000000, 0.0004670400000000 ] - [ 0.0022906700000000, -0.0029418300000000, 0.0025545800000000 ] - [ -0.0009569300000000, -0.0093664100000000, 0.0067911000000000 ] - [ 0.0000412900000000, -0.0004359900000000, 0.0002632000000000 ] - [ -0.0009439600000000, -0.0093898700000000, 0.0066388700000000 ] - [ 0.0000397000000000, -0.0004366100000000, 0.0002643400000000 ] - [ -0.0139208300000000, 0.0245293000000000, 0.0169549300000000 ] - [ 0.0007746900000000, -0.0005868100000000, -0.0000495000000000 ] - [ 0.0005794200000000, -0.0021841900000000, 0.0004471600000000 ] - [ 0.0002169900000000, -0.0005012900000000, 0.0000552600000000 ] - [ -0.0054173300000000, -0.0025717900000000, -0.0002123300000000 ] - [ 0.0033532100000000, 0.0012506500000000, -0.0003028100000000 ] - [ -0.0009361900000000, -0.0013903400000000, 0.0002719500000000 ] - [ -0.0002241800000000, -0.0003673600000000, 0.0001156100000000 ] - [ 0.0035802000000000, 0.0010800100000000, -0.0003030200000000 ] - [ -0.0051743600000000, -0.0027288700000000, -0.0002107600000000 ] - [ 0.0000038900000000, -0.0005385700000000, 0.0001139300000000 ] - [ -0.0007167600000000, -0.0015579400000000, 0.0002721600000000 ] - [ -0.0138479900000000, 0.0250717300000000, 0.0172784800000000 ] - [ 0.0009922900000000, -0.0004161000000000, -0.0000513700000000 ] - [ 0.0008136100000000, -0.0020314800000000, 0.0004471100000000 ] - [ 0.0004378600000000, -0.0003289000000000, 0.0000545200000000 ] - [ 0.0206168300000000, 0.0016719800000000, 0.0106456500000000 ] - [ -0.0005268700000000, -0.0003671600000000, -0.0003530300000000 ] - [ -0.0008161600000000, -0.0004796900000000, 0.0006496000000000 ] - [ 0.0005174400000000, 0.0000154000000000, 0.0004069200000000 ] - [ -0.0005293000000000, -0.0013805400000000, -0.0003545500000000 ] - [ 0.0207283900000000, 0.0006351200000000, 0.0107256700000000 ] - [ 0.0005186800000000, -0.0009901000000000, 0.0004047200000000 ] - [ -0.0008340300000000, -0.0014935300000000, 0.0006521700000000 ] - [ 0.0003283300000000, 0.0006096800000000, 0.0005542500000000 ] - [ -0.0024414500000000, 0.0044827000000000, 0.0040904500000000 ] - [ 0.0000854400000000, -0.0000370600000000, -0.0002077700000000 ] - [ -0.0002047700000000, -0.0002570000000000, -0.0012264900000000 ] - [ 0.0003469700000000, 0.0006268000000000, -0.0005792800000000 ] - [ -0.0017862000000000, 0.0035580500000000, -0.0032811300000000 ] - [ 0.0000729200000000, -0.0000367800000000, 0.0002218900000000 ] - [ -0.0000908100000000, -0.0003978400000000, 0.0012408500000000 ] - [ 0.0000469200000000, 0.0007041600000000, 0.0003470600000000 ] - [ 0.0000473900000000, 0.0007036100000000, 0.0003475100000000 ] - [ 0.0000561900000000, 0.0007151000000000, 0.0004764500000000 ] - [ 0.0000558000000000, 0.0007136800000000, 0.0004755600000000 ] - [ 0.0000395100000000, 0.0010875900000000, 0.0004822300000000 ] - [ -0.0001255300000000, 0.0003905800000000, 0.0002272800000000 ] - [ 0.0000303900000000, 0.0010206900000000, 0.0006620100000000 ] - [ -0.0001386000000000, 0.0003991500000000, 0.0002859100000000 ] - [ 0.0000351500000000, 0.0010489400000000, -0.0005712000000000 ] - [ -0.0001322900000000, 0.0003953100000000, -0.0002574300000000 ] - [ 0.0000355300000000, 0.0010478400000000, -0.0005703900000000 ] - [ -0.0001321600000000, 0.0003951300000000, -0.0002560100000000 ] - [ 0.0000598500000000, 0.0007055700000000, -0.0004104600000000 ] - [ 0.0000440000000000, 0.0007045800000000, -0.0004078300000000 ] - [ 0.0000427400000000, 0.0007058700000000, -0.0004079900000000 ] - [ 0.0000600600000000, 0.0007050300000000, -0.0004103200000000 ] - [ -0.0011454400000000, 0.0014108900000000, -0.0004599100000000 ] - [ -0.0002118100000000, 0.0005261500000000, -0.0001192600000000 ] - [ -0.0011846500000000, 0.0014988400000000, 0.0005450000000000 ] - [ -0.0002198100000000, 0.0005025700000000, 0.0001200700000000 ] - [ 0.0006999500000000, 0.0017949000000000, -0.0004774800000000 ] - [ 0.0000897400000000, 0.0005120400000000, -0.0000905700000000 ] - [ 0.0007457500000000, 0.0017434600000000, 0.0005143700000000 ] - [ 0.0000740000000000, 0.0005015400000000, 0.0000913600000000 ] - [ 0.0009216000000000, 0.0016270800000000, -0.0004817800000000 ] - [ 0.0003093700000000, 0.0003369500000000, -0.0000926900000000 ] - [ 0.0009714300000000, 0.0015688800000000, 0.0005141600000000 ] - [ 0.0002937400000000, 0.0003302200000000, 0.0000895700000000 ] - [ 0.0000071200000000, 0.0006991500000000, -0.0001206900000000 ] - [ -0.0009215100000000, 0.0015789000000000, -0.0004596400000000 ] - [ 0.0000005200000000, 0.0006751100000000, 0.0001190300000000 ] - [ -0.0009614400000000, 0.0016679300000000, 0.0005403100000000 ] - [ -0.0003281900000000, 0.0008271100000000, -0.0000253700000000 ] - [ 0.0003578500000000, 0.0011222800000000, -0.0000820600000000 ] - [ -0.0003551700000000, 0.0008284600000000, 0.0000247200000000 ] - [ 0.0003682700000000, 0.0010619200000000, 0.0000802600000000 ] - [ 0.0003566800000000, 0.0001141500000000, -0.0000810500000000 ] - [ -0.0003276500000000, -0.0001804700000000, -0.0000252500000000 ] - [ 0.0003671900000000, 0.0000585500000000, 0.0000821600000000 ] - [ -0.0003526600000000, -0.0001796600000000, 0.0000240400000000 ] - [ -0.0002029600000000, -0.0002631400000000, -0.0012350900000000 ] - [ 0.0000850400000000, -0.0000397400000000, -0.0002088800000000 ] - [ -0.0024545000000000, 0.0045071400000000, 0.0041122700000000 ] - [ 0.0003283400000000, 0.0006074700000000, 0.0005516100000000 ] - [ -0.0017937600000000, 0.0035703700000000, -0.0032955300000000 ] - [ 0.0003472200000000, 0.0006250300000000, -0.0005781400000000 ] - [ -0.0000869900000000, -0.0004031900000000, 0.0012482600000000 ] - [ 0.0000727000000000, -0.0000395600000000, 0.0002243200000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0380743900000000, 0.1001579000000000, 0.1746809100000000 ] - [ -0.0004085500000000, 0.0009330900000000, 0.0006278100000000 ] - [ 0.0045382300000000, 0.0120408000000000, -0.0231850300000000 ] - [ -0.0008439500000000, -0.0001010900000000, -0.0006265600000000 ] - [ 0.0026462000000000, 0.0042212800000000, 0.0039254900000000 ] - [ -0.0161627300000000, 0.0059576900000000, 0.0031713100000000 ] - [ -0.0013942500000000, 0.0016540100000000, -0.0040932500000000 ] - [ 0.0039581500000000, -0.0000862400000000, -0.0023370800000000 ] - [ -0.0162168000000000, 0.0055698900000000, 0.0031550400000000 ] - [ 0.0026343100000000, 0.0038331100000000, 0.0039010300000000 ] - [ 0.0039698900000000, -0.0004830200000000, -0.0023267600000000 ] - [ -0.0014229100000000, 0.0012597500000000, -0.0040776200000000 ] - [ 0.0408322700000000, 0.1079576300000000, 0.1834344600000000 ] - [ -0.0004340300000000, 0.0013206900000000, 0.0006297600000000 ] - [ 0.0044803700000000, 0.0123390400000000, -0.0231342500000000 ] - [ -0.0008625600000000, 0.0002923000000000, -0.0006298100000000 ] - [ -0.0027142500000000, -0.0018394900000000, 0.0001395400000000 ] - [ 0.0139633400000000, -0.0085594600000000, 0.0020387000000000 ] - [ 0.0002730100000000, 0.0009871600000000, -0.0001673600000000 ] - [ -0.0023023000000000, 0.0041391600000000, -0.0011869800000000 ] - [ 0.0139400500000000, -0.0087290900000000, 0.0020430100000000 ] - [ -0.0027082700000000, -0.0020313800000000, 0.0001411800000000 ] - [ -0.0022741700000000, 0.0039183500000000, -0.0011925800000000 ] - [ 0.0002682800000000, 0.0007837500000000, -0.0001678500000000 ] - [ 0.0002501900000000, -0.0010062100000000, 0.0001353600000000 ] - [ -0.0000396700000000, -0.0009625600000000, 0.0001990700000000 ] - [ 0.0004147800000000, -0.0012010600000000, -0.0001300700000000 ] - [ -0.0001924900000000, -0.0010223700000000, -0.0002004200000000 ] - [ -0.0001544700000000, -0.0009165000000000, 0.0003048100000000 ] - [ 0.0000006100000000, -0.0002937500000000, 0.0000758500000000 ] - [ -0.0002565300000000, -0.0011448700000000, -0.0003036800000000 ] - [ 0.0000546100000000, -0.0003349000000000, -0.0000762800000000 ] - [ -0.0001769800000000, -0.0013057100000000, 0.0003027300000000 ] - [ -0.0000223900000000, -0.0006854800000000, 0.0000752100000000 ] - [ -0.0002788400000000, -0.0015388300000000, -0.0003043600000000 ] - [ 0.0000317400000000, -0.0007256200000000, -0.0000754700000000 ] - [ -0.0000628200000000, -0.0005740200000000, 0.0002000100000000 ] - [ 0.0002283600000000, -0.0006155100000000, 0.0001358700000000 ] - [ -0.0002135000000000, -0.0006318800000000, -0.0002011500000000 ] - [ 0.0003922100000000, -0.0008104100000000, -0.0001307100000000 ] - [ 0.0000335200000000, -0.0010391300000000, 0.0036223600000000 ] - [ -0.0001158500000000, -0.0004905700000000, 0.0009445800000000 ] - [ 0.0002827300000000, -0.0019075800000000, -0.0039249900000000 ] - [ -0.0002279100000000, -0.0005223000000000, -0.0009418300000000 ] - [ -0.0001192200000000, -0.0006865700000000, 0.0009483500000000 ] - [ 0.0000361200000000, -0.0012364100000000, 0.0036361000000000 ] - [ -0.0002290200000000, -0.0007182300000000, -0.0009447700000000 ] - [ 0.0002795700000000, -0.0021019500000000, -0.0039402800000000 ] - [ -0.1023133500000000, -0.2729071900000000, -0.4562397500000000 ] - [ 0.0000174200000000, -0.0007456300000000, -0.0008484000000000 ] - [ 0.0010093900000000, 0.0027034400000000, 0.0163886300000000 ] - [ 0.0003129300000000, 0.0002225600000000, 0.0005842300000000 ] - [ 0.0020421200000000, -0.0035674200000000, -0.0049432300000000 ] - [ 0.0020279600000000, -0.0035670600000000, -0.0049410500000000 ] - [ -0.0005936100000000, 0.0008076500000000, 0.0023893900000000 ] - [ -0.0005845500000000, 0.0008057200000000, 0.0023864100000000 ] - [ 0.0029911300000000, -0.0025596500000000, 0.0028326600000000 ] - [ -0.0013097800000000, -0.0004672400000000, -0.0002061700000000 ] - [ -0.0013158900000000, -0.0004606300000000, -0.0002208000000000 ] - [ 0.0029879400000000, -0.0025488200000000, 0.0028164700000000 ] - [ -0.0024854100000000, -0.0067221500000000, 0.0451100500000000 ] - [ 0.0001661900000000, -0.0002639000000000, 0.0001343200000000 ] - [ -0.0024793200000000, -0.0067096600000000, 0.0458386000000000 ] - [ 0.0001661000000000, -0.0002621000000000, 0.0001315600000000 ] - [ -0.0114021100000000, 0.0227622000000000, 0.0052344700000000 ] - [ 0.0009938900000000, -0.0005370700000000, -0.0000933900000000 ] - [ 0.0020767600000000, -0.0045872700000000, 0.0029364400000000 ] - [ 0.0000814700000000, -0.0004052300000000, 0.0001001400000000 ] - [ -0.0044254200000000, -0.0016142800000000, -0.0007703300000000 ] - [ 0.0044249600000000, 0.0019737400000000, -0.0004726300000000 ] - [ 0.0002250500000000, -0.0008867300000000, 0.0007580900000000 ] - [ -0.0010940700000000, -0.0006301300000000, 0.0002894800000000 ] - [ 0.0046503400000000, 0.0018048800000000, -0.0004714000000000 ] - [ -0.0042118200000000, -0.0017823500000000, -0.0007650600000000 ] - [ -0.0008819000000000, -0.0008085200000000, 0.0002856200000000 ] - [ 0.0004528200000000, -0.0010569700000000, 0.0007555300000000 ] - [ -0.0111774800000000, 0.0230297700000000, 0.0051591300000000 ] - [ 0.0012100800000000, -0.0003669900000000, -0.0000956900000000 ] - [ 0.0022782800000000, -0.0043717600000000, 0.0029302300000000 ] - [ 0.0003024200000000, -0.0002332800000000, 0.0001001500000000 ] - [ 0.0229153800000000, 0.0089745000000000, 0.0057501200000000 ] - [ -0.0002922600000000, -0.0001603600000000, -0.0006187600000000 ] - [ -0.0043245400000000, -0.0010573900000000, 0.0030673000000000 ] - [ 0.0010017900000000, 0.0002126900000000, 0.0006435000000000 ] - [ -0.0002890300000000, -0.0011716500000000, -0.0006233600000000 ] - [ 0.0229768900000000, 0.0080496700000000, 0.0056735200000000 ] - [ 0.0009978300000000, -0.0007934300000000, 0.0006443400000000 ] - [ -0.0042822500000000, -0.0020482600000000, 0.0030630700000000 ] - [ 0.0004061500000000, 0.0007642700000000, 0.0007081800000000 ] - [ -0.0019987600000000, 0.0036169000000000, 0.0033673500000000 ] - [ -0.0000154700000000, -0.0002126600000000, -0.0003602300000000 ] - [ 0.0002766600000000, -0.0012589400000000, -0.0013645800000000 ] - [ 0.0003786200000000, 0.0008002100000000, -0.0008333400000000 ] - [ -0.0014553200000000, 0.0029268800000000, -0.0036365500000000 ] - [ 0.0000139800000000, -0.0002334800000000, 0.0004758300000000 ] - [ 0.0002151600000000, -0.0012060600000000, 0.0021275600000000 ] - [ 0.0000123900000000, 0.0003470000000000, 0.0000902000000000 ] - [ 0.0000118300000000, 0.0003470400000000, 0.0000905800000000 ] - [ 0.0000482100000000, 0.0004764500000000, 0.0003862800000000 ] - [ 0.0000474900000000, 0.0004761600000000, 0.0003860600000000 ] - [ 0.0000009200000000, 0.0004834900000000, 0.0000751000000000 ] - [ -0.0000272600000000, 0.0002270400000000, 0.0000887000000000 ] - [ -0.0000302000000000, 0.0006618100000000, 0.0005546600000000 ] - [ -0.0000610400000000, 0.0002857400000000, 0.0002272200000000 ] - [ -0.0000146400000000, 0.0005711400000000, -0.0003136300000000 ] - [ -0.0000442800000000, 0.0002566300000000, -0.0001588400000000 ] - [ -0.0000144300000000, 0.0005707000000000, -0.0003144600000000 ] - [ -0.0000442500000000, 0.0002566400000000, -0.0001576000000000 ] - [ 0.0000568500000000, 0.0004077000000000, -0.0002363200000000 ] - [ 0.0000033000000000, 0.0004098500000000, -0.0002363100000000 ] - [ 0.0000034100000000, 0.0004105900000000, -0.0002370200000000 ] - [ 0.0000562900000000, 0.0004082200000000, -0.0002373900000000 ] - [ -0.0005774800000000, 0.0006134200000000, -0.0005028500000000 ] - [ -0.0002319700000000, 0.0003121600000000, -0.0001773600000000 ] - [ -0.0007925200000000, 0.0008904700000000, 0.0005586500000000 ] - [ -0.0001712400000000, 0.0003451500000000, 0.0001792200000000 ] - [ 0.0002386400000000, 0.0007913800000000, -0.0005332000000000 ] - [ 0.0000895100000000, 0.0004169300000000, -0.0001375800000000 ] - [ 0.0003290000000000, 0.0010923600000000, 0.0005639700000000 ] - [ 0.0001027400000000, 0.0004323800000000, 0.0001386800000000 ] - [ 0.0004575200000000, 0.0006230000000000, -0.0005331700000000 ] - [ 0.0003079500000000, 0.0002454500000000, -0.0001390600000000 ] - [ 0.0005511800000000, 0.0009188900000000, 0.0005595300000000 ] - [ 0.0003215500000000, 0.0002650800000000, 0.0001363200000000 ] - [ -0.0000129600000000, 0.0004810100000000, -0.0001794200000000 ] - [ -0.0003583100000000, 0.0007824900000000, -0.0005064100000000 ] - [ 0.0000485000000000, 0.0005127800000000, 0.0001789400000000 ] - [ -0.0005738700000000, 0.0010602800000000, 0.0005587600000000 ] - [ -0.0000799700000000, 0.0006764200000000, -0.0000409000000000 ] - [ 0.0000788100000000, 0.0008091000000000, -0.0001179900000000 ] - [ -0.0001610100000000, 0.0007092400000000, 0.0000403900000000 ] - [ 0.0001752000000000, 0.0008751600000000, 0.0001178600000000 ] - [ 0.0000797000000000, -0.0002011400000000, -0.0001177400000000 ] - [ -0.0000811500000000, -0.0003329000000000, -0.0000410300000000 ] - [ 0.0001760500000000, -0.0001304400000000, 0.0001203800000000 ] - [ -0.0001601000000000, -0.0003007900000000, 0.0000399900000000 ] - [ 0.0002755500000000, -0.0012514300000000, -0.0013538800000000 ] - [ -0.0000149600000000, -0.0002113100000000, -0.0003572700000000 ] - [ -0.0019952000000000, 0.0036094200000000, 0.0033587500000000 ] - [ 0.0004060000000000, 0.0007622600000000, 0.0007042300000000 ] - [ -0.0014547100000000, 0.0029220600000000, -0.0036341600000000 ] - [ 0.0003783300000000, 0.0007988000000000, -0.0008317600000000 ] - [ 0.0002137900000000, -0.0011957100000000, 0.0021185600000000 ] - [ 0.0000150000000000, -0.0002324500000000, 0.0004752700000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0989522100000000, -0.1052350600000000, 0.0000000000000000 ] - [ -0.0065952200000000, -0.0009701100000000, 0.0000000000000000 ] - [ 0.0022167200000000, -0.0037625000000000, 0.0000000000000000 ] - [ -0.0018998200000000, -0.0005388100000000, 0.0000000000000000 ] - [ -0.0025718200000000, 0.0031253800000000, 0.0036579000000000 ] - [ 0.0041538800000000, -0.0036565800000000, -0.0033846400000000 ] - [ -0.0025718200000000, 0.0031253800000000, -0.0036579000000000 ] - [ 0.0041538800000000, -0.0036565800000000, 0.0033846400000000 ] - [ -0.0188216700000000, 0.0024786900000000, 0.0000000000000000 ] - [ -0.0116824900000000, -0.0217625600000000, 0.0000000000000000 ] - [ -0.0007313800000000, -0.0015931400000000, 0.0000000000000000 ] - [ -0.0008939300000000, -0.0013840100000000, 0.0000000000000000 ] - [ 0.0052124000000000, 0.0048783300000000, 0.0084110400000000 ] - [ -0.0029730000000000, -0.0004888600000000, -0.0005601000000000 ] - [ 0.0052124000000000, 0.0048783300000000, -0.0084110400000000 ] - [ -0.0029730000000000, -0.0004888600000000, 0.0005601000000000 ] - [ -0.0057875000000000, -0.0025421900000000, 0.0000000000000000 ] - [ 0.1909565900000000, -0.1110314400000000, 0.0000000000000000 ] - [ -0.0019235100000000, -0.0007046100000000, 0.0000000000000000 ] - [ 0.0027402800000000, -0.0045676200000000, 0.0000000000000000 ] - [ -0.0006093100000000, 0.0026333700000000, 0.0003276900000000 ] - [ -0.0009363600000000, 0.0000357800000000, -0.0000934600000000 ] - [ -0.0006093100000000, 0.0026333700000000, -0.0003276900000000 ] - [ -0.0009363600000000, 0.0000357800000000, 0.0000934600000000 ] - [ -0.0006646700000000, 0.0003854300000000, 0.0000000000000000 ] - [ 0.0004243800000000, 0.0015814900000000, 0.0000000000000000 ] - [ -0.0006102400000000, 0.0004022100000000, 0.0000000000000000 ] - [ 0.0004584500000000, 0.0013368100000000, 0.0000000000000000 ] - [ 0.0027288700000000, 0.0022439400000000, 0.0000553300000000 ] - [ -0.0019026300000000, 0.0002171800000000, -0.0000663900000000 ] - [ 0.0027288700000000, 0.0022439400000000, -0.0000553300000000 ] - [ -0.0019026300000000, 0.0002171800000000, 0.0000663900000000 ] - [ 0.0012416600000000, 0.0016114300000000, 0.0000000000000000 ] - [ -0.0008811800000000, 0.0002188500000000, 0.0000000000000000 ] - [ 0.0010552400000000, 0.0014294100000000, 0.0000000000000000 ] - [ -0.0008079800000000, 0.0001992800000000, 0.0000000000000000 ] - [ 0.0008941400000000, -0.0001251500000000, 0.0001316200000000 ] - [ -0.0021329300000000, 0.0030498200000000, -0.0001981500000000 ] - [ 0.0008941400000000, -0.0001251500000000, -0.0001316200000000 ] - [ -0.0021329300000000, 0.0030498200000000, 0.0001981500000000 ] - [ 0.0005312500000000, 0.0025892300000000, 0.0000000000000000 ] - [ -0.0006426900000000, 0.0005542000000000, 0.0000000000000000 ] - [ 0.0005445800000000, 0.0023531300000000, 0.0000000000000000 ] - [ -0.0005934600000000, 0.0005875800000000, 0.0000000000000000 ] - [ -0.0011742400000000, -0.0016192200000000, 0.0006130100000000 ] - [ 0.0026973000000000, 0.0068762300000000, -0.0111894700000000 ] - [ -0.0011742400000000, -0.0016192200000000, -0.0006130100000000 ] - [ 0.0026973000000000, 0.0068762300000000, 0.0111894700000000 ] - [ -0.0058880500000000, -0.0139549200000000, -0.0113559000000000 ] - [ 0.0017553500000000, 0.0008877900000000, 0.0011067900000000 ] - [ -0.0007654500000000, 0.0007006600000000, 0.0021901700000000 ] - [ 0.0008089200000000, 0.0003280300000000, 0.0001917300000000 ] - [ 0.0042187200000000, -0.0034586300000000, -0.0045265200000000 ] - [ -0.0002781700000000, 0.0053177900000000, 0.0043361500000000 ] - [ 0.0004120300000000, 0.0001096200000000, 0.0009854000000000 ] - [ -0.0004631200000000, 0.0008305300000000, -0.0003389000000000 ] - [ 0.0042187200000000, -0.0034586300000000, 0.0045265200000000 ] - [ -0.0002781700000000, 0.0053177900000000, -0.0043361500000000 ] - [ 0.0004120300000000, 0.0001096200000000, -0.0009854000000000 ] - [ -0.0004631200000000, 0.0008305300000000, 0.0003389000000000 ] - [ -0.0058880500000000, -0.0139549200000000, 0.0113559000000000 ] - [ 0.0017553500000000, 0.0008877900000000, -0.0011067900000000 ] - [ -0.0007654500000000, 0.0007006600000000, -0.0021901700000000 ] - [ 0.0008089200000000, 0.0003280300000000, -0.0001917300000000 ] - [ -0.3531466900000000, 0.2893481900000000, 0.0000000000000000 ] - [ 0.0031680900000000, -0.0010680300000000, 0.0000000000000000 ] - [ -0.0030414700000000, 0.0030694300000000, 0.0000000000000000 ] - [ 0.0009059800000000, -0.0003192200000000, 0.0000000000000000 ] - [ -0.0001308300000000, -0.0011511000000000, -0.0005224500000000 ] - [ -0.0001415400000000, 0.0009856600000000, 0.0004927900000000 ] - [ -0.0001308300000000, -0.0011511000000000, 0.0005224500000000 ] - [ -0.0001415400000000, 0.0009856600000000, -0.0004927900000000 ] - [ 0.0063836300000000, 0.0034398800000000, 0.0000000000000000 ] - [ 0.0364087400000000, 0.0076174900000000, 0.0000000000000000 ] - [ 0.0013043000000000, 0.0010092500000000, 0.0000000000000000 ] - [ 0.0002559600000000, 0.0011861000000000, 0.0000000000000000 ] - [ 0.0007212900000000, -0.0023160500000000, -0.0013132600000000 ] - [ 0.0010244200000000, -0.0002730500000000, 0.0000974200000000 ] - [ 0.0007212900000000, -0.0023160500000000, 0.0013132600000000 ] - [ 0.0010244200000000, -0.0002730500000000, -0.0000974200000000 ] - [ 0.0376919500000000, -0.0159015500000000, 0.0000000000000000 ] - [ 0.0077758300000000, 0.0031998900000000, 0.0000000000000000 ] - [ -0.0004337200000000, 0.0009800800000000, 0.0000000000000000 ] - [ 0.0011995100000000, 0.0008532400000000, 0.0000000000000000 ] - [ 0.0028055700000000, -0.0008867800000000, -0.0004533200000000 ] - [ -0.0049306600000000, -0.0006695600000000, -0.0006044400000000 ] - [ 0.0028055700000000, -0.0008867800000000, 0.0004533200000000 ] - [ -0.0049306600000000, -0.0006695600000000, 0.0006044400000000 ] - [ 0.0009980800000000, 0.0011373900000000, 0.0008705400000000 ] - [ 0.0035160900000000, -0.0174965600000000, -0.0152976100000000 ] - [ 0.0004622500000000, 0.0004777600000000, 0.0000948200000000 ] - [ -0.0007491100000000, 0.0012330200000000, 0.0031599500000000 ] - [ 0.0009980800000000, 0.0011373900000000, -0.0008705400000000 ] - [ 0.0035160900000000, -0.0174965600000000, 0.0152976100000000 ] - [ 0.0004622500000000, 0.0004777600000000, -0.0000948200000000 ] - [ -0.0007491100000000, 0.0012330200000000, -0.0031599500000000 ] - [ -0.0000626300000000, -0.0001041700000000, -0.0001235900000000 ] - [ 0.0001194700000000, -0.0010353400000000, -0.0004678300000000 ] - [ -0.0000682400000000, -0.0001107200000000, -0.0000625300000000 ] - [ 0.0000868500000000, -0.0010750400000000, -0.0006846900000000 ] - [ -0.0005196000000000, -0.0008119000000000, -0.0003487800000000 ] - [ 0.0004807300000000, -0.0002003900000000, -0.0001989800000000 ] - [ -0.0004485600000000, -0.0008615400000000, -0.0004410600000000 ] - [ 0.0004597000000000, -0.0001849800000000, -0.0002139900000000 ] - [ -0.0005196000000000, -0.0008119000000000, 0.0003487800000000 ] - [ 0.0004807300000000, -0.0002003900000000, 0.0001989800000000 ] - [ -0.0004485600000000, -0.0008615400000000, 0.0004410600000000 ] - [ 0.0004597000000000, -0.0001849800000000, 0.0002139900000000 ] - [ -0.0000626300000000, -0.0001041700000000, 0.0001235900000000 ] - [ 0.0001194700000000, -0.0010353400000000, 0.0004678300000000 ] - [ -0.0000682400000000, -0.0001107200000000, 0.0000625300000000 ] - [ 0.0000868500000000, -0.0010750400000000, 0.0006846900000000 ] - [ 0.0003010200000000, -0.0009286600000000, 0.0000000000000000 ] - [ 0.0002991600000000, -0.0008402700000000, 0.0000000000000000 ] - [ 0.0002853900000000, -0.0008916400000000, 0.0000000000000000 ] - [ 0.0002811600000000, -0.0008193300000000, 0.0000000000000000 ] - [ -0.0032463700000000, -0.0028879700000000, 0.0011490000000000 ] - [ 0.0009861000000000, 0.0008573900000000, -0.0000515200000000 ] - [ -0.0032463700000000, -0.0028879700000000, -0.0011490000000000 ] - [ 0.0009861000000000, 0.0008573900000000, 0.0000515200000000 ] - [ -0.0009807400000000, -0.0015736700000000, 0.0000000000000000 ] - [ 0.0004445800000000, -0.0001439600000000, 0.0000000000000000 ] - [ -0.0009232200000000, -0.0014948800000000, 0.0000000000000000 ] - [ 0.0004203200000000, -0.0001455400000000, 0.0000000000000000 ] - [ 0.0000628700000000, 0.0006407400000000, -0.0001352300000000 ] - [ 0.0022363600000000, -0.0033969000000000, 0.0016624500000000 ] - [ 0.0000628700000000, 0.0006407400000000, 0.0001352300000000 ] - [ 0.0022363600000000, -0.0033969000000000, -0.0016624500000000 ] - [ 0.0006646900000000, 0.0003106100000000, 0.0000000000000000 ] - [ -0.0007269200000000, -0.0000211400000000, 0.0000000000000000 ] - [ 0.0006151900000000, 0.0003159000000000, 0.0000000000000000 ] - [ -0.0006667400000000, 0.0000397700000000, 0.0000000000000000 ] - [ -0.0014060600000000, -0.0004632400000000, -0.0000871100000000 ] - [ 0.0015970500000000, -0.0009310900000000, 0.0000737200000000 ] - [ -0.0014060600000000, -0.0004632400000000, 0.0000871100000000 ] - [ 0.0015970500000000, -0.0009310900000000, -0.0000737200000000 ] - [ -0.0000088700000000, -0.0012640900000000, -0.0006209300000000 ] - [ 0.0002062600000000, -0.0001590200000000, -0.0001284000000000 ] - [ 0.0000157400000000, -0.0012641400000000, -0.0008450900000000 ] - [ 0.0002113400000000, -0.0001481900000000, -0.0000577100000000 ] - [ -0.0000088700000000, -0.0012640900000000, 0.0006209300000000 ] - [ 0.0002062600000000, -0.0001590200000000, 0.0001284000000000 ] - [ 0.0000157400000000, -0.0012641400000000, 0.0008450900000000 ] - [ 0.0002113400000000, -0.0001481900000000, 0.0000577100000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.1005414300000000, 0.1096516600000000, 0.0000000000000000 ] - [ 0.0065907600000000, 0.0005704200000000, 0.0000000000000000 ] - [ -0.0022085900000000, 0.0033400300000000, 0.0000000000000000 ] - [ 0.0019162600000000, 0.0001448800000000, 0.0000000000000000 ] - [ 0.0025751500000000, -0.0027493600000000, -0.0036703300000000 ] - [ -0.0040936200000000, 0.0040264900000000, 0.0033622300000000 ] - [ 0.0025751500000000, -0.0027493600000000, 0.0036703300000000 ] - [ -0.0040936200000000, 0.0040264900000000, -0.0033622300000000 ] - [ 0.0188175500000000, -0.0028769400000000, 0.0000000000000000 ] - [ 0.0116025800000000, 0.0211890400000000, 0.0000000000000000 ] - [ 0.0006954100000000, 0.0012014100000000, 0.0000000000000000 ] - [ 0.0008896700000000, 0.0009903300000000, 0.0000000000000000 ] - [ -0.0051795700000000, -0.0044229100000000, -0.0083086400000000 ] - [ 0.0029505400000000, 0.0008686900000000, 0.0005508900000000 ] - [ -0.0051795700000000, -0.0044229100000000, 0.0083086400000000 ] - [ 0.0029505400000000, 0.0008686900000000, -0.0005508900000000 ] - [ 0.0057803400000000, 0.0027471000000000, 0.0000000000000000 ] - [ -0.1822822700000000, 0.1035284000000000, 0.0000000000000000 ] - [ 0.0019138200000000, 0.0008995000000000, 0.0000000000000000 ] - [ -0.0027257900000000, 0.0047448300000000, 0.0000000000000000 ] - [ 0.0005820700000000, -0.0028123200000000, -0.0003272500000000 ] - [ 0.0009381400000000, -0.0002374600000000, 0.0000923400000000 ] - [ 0.0005820700000000, -0.0028123200000000, 0.0003272500000000 ] - [ 0.0009381400000000, -0.0002374600000000, -0.0000923400000000 ] - [ 0.0006787600000000, -0.0007733300000000, 0.0000000000000000 ] - [ -0.0003997100000000, -0.0019630300000000, 0.0000000000000000 ] - [ 0.0006267700000000, -0.0007867800000000, 0.0000000000000000 ] - [ -0.0004394700000000, -0.0017199500000000, 0.0000000000000000 ] - [ -0.0027067900000000, -0.0018453700000000, -0.0000569300000000 ] - [ 0.0019212100000000, 0.0001788700000000, 0.0000668600000000 ] - [ -0.0027067900000000, -0.0018453700000000, 0.0000569300000000 ] - [ 0.0019212100000000, 0.0001788700000000, -0.0000668600000000 ] - [ -0.0012576500000000, -0.0019902300000000, 0.0000000000000000 ] - [ 0.0008618100000000, -0.0006081700000000, 0.0000000000000000 ] - [ -0.0010693900000000, -0.0018173100000000, 0.0000000000000000 ] - [ 0.0007857900000000, -0.0005867800000000, 0.0000000000000000 ] - [ -0.0009139600000000, 0.0005185800000000, -0.0001308700000000 ] - [ 0.0021150600000000, -0.0026535100000000, 0.0001964500000000 ] - [ -0.0009139600000000, 0.0005185800000000, 0.0001308700000000 ] - [ 0.0021150600000000, -0.0026535100000000, -0.0001964500000000 ] - [ -0.0005386900000000, -0.0023805200000000, 0.0000000000000000 ] - [ 0.0006474600000000, -0.0003576400000000, 0.0000000000000000 ] - [ -0.0005447500000000, -0.0021429700000000, 0.0000000000000000 ] - [ 0.0005998300000000, -0.0003907700000000, 0.0000000000000000 ] - [ 0.0011688300000000, 0.0014272600000000, -0.0006175200000000 ] - [ -0.0026954500000000, -0.0070655200000000, 0.0111698200000000 ] - [ 0.0011688300000000, 0.0014272600000000, 0.0006175200000000 ] - [ -0.0026954500000000, -0.0070655200000000, -0.0111698200000000 ] - [ 0.0059877200000000, 0.0138141300000000, 0.0112245400000000 ] - [ -0.0017457000000000, -0.0008786300000000, -0.0010973200000000 ] - [ 0.0007662100000000, -0.0006941100000000, -0.0021660700000000 ] - [ -0.0008080600000000, -0.0003276500000000, -0.0001942500000000 ] - [ -0.0042307300000000, 0.0034769500000000, 0.0045494100000000 ] - [ 0.0002648500000000, -0.0052727700000000, -0.0042999300000000 ] - [ -0.0004056900000000, -0.0001104500000000, -0.0009909200000000 ] - [ 0.0004576100000000, -0.0008227000000000, 0.0003394000000000 ] - [ -0.0042307300000000, 0.0034769500000000, -0.0045494100000000 ] - [ 0.0002648500000000, -0.0052727700000000, 0.0042999300000000 ] - [ -0.0004056900000000, -0.0001104500000000, 0.0009909200000000 ] - [ 0.0004576100000000, -0.0008227000000000, -0.0003394000000000 ] - [ 0.0059877200000000, 0.0138141300000000, -0.0112245400000000 ] - [ -0.0017457000000000, -0.0008786300000000, 0.0010973200000000 ] - [ 0.0007662100000000, -0.0006941100000000, 0.0021660700000000 ] - [ -0.0008080600000000, -0.0003276500000000, 0.0001942500000000 ] - [ 0.3454383400000000, -0.2863764400000000, 0.0000000000000000 ] - [ -0.0033790300000000, 0.0008891600000000, 0.0000000000000000 ] - [ 0.0028044700000000, -0.0032313100000000, 0.0000000000000000 ] - [ -0.0011257200000000, 0.0001415500000000, 0.0000000000000000 ] - [ -0.0000769300000000, 0.0013321100000000, 0.0005235700000000 ] - [ -0.0000866900000000, -0.0008019500000000, -0.0004903300000000 ] - [ -0.0000769300000000, 0.0013321100000000, -0.0005235700000000 ] - [ -0.0000866900000000, -0.0008019500000000, 0.0004903300000000 ] - [ -0.0061715300000000, -0.0036213300000000, 0.0000000000000000 ] - [ -0.0354497900000000, -0.0077560700000000, 0.0000000000000000 ] - [ -0.0010736400000000, -0.0011803300000000, 0.0000000000000000 ] - [ -0.0000401900000000, -0.0013593500000000, 0.0000000000000000 ] - [ -0.0004819900000000, 0.0024570400000000, 0.0012975300000000 ] - [ -0.0008080500000000, 0.0004520700000000, -0.0000975700000000 ] - [ -0.0004819900000000, 0.0024570400000000, -0.0012975300000000 ] - [ -0.0008080500000000, 0.0004520700000000, 0.0000975700000000 ] - [ -0.0382012800000000, 0.0171909200000000, 0.0000000000000000 ] - [ -0.0077219900000000, -0.0021683800000000, 0.0000000000000000 ] - [ 0.0004487700000000, 0.0000207200000000, 0.0000000000000000 ] - [ -0.0012009600000000, 0.0001456000000000, 0.0000000000000000 ] - [ -0.0027997600000000, -0.0001128400000000, 0.0004555400000000 ] - [ 0.0048944500000000, -0.0003336600000000, 0.0005977800000000 ] - [ -0.0027997600000000, -0.0001128400000000, -0.0004555400000000 ] - [ 0.0048944500000000, -0.0003336600000000, -0.0005977800000000 ] - [ -0.0009973600000000, -0.0011421300000000, -0.0008741000000000 ] - [ -0.0035395500000000, 0.0173625200000000, 0.0152010200000000 ] - [ -0.0004613200000000, -0.0004766200000000, -0.0000934200000000 ] - [ 0.0007419100000000, -0.0012272600000000, -0.0031491400000000 ] - [ -0.0009973600000000, -0.0011421300000000, 0.0008741000000000 ] - [ -0.0035395500000000, 0.0173625200000000, -0.0152010200000000 ] - [ -0.0004613200000000, -0.0004766200000000, 0.0000934200000000 ] - [ 0.0007419100000000, -0.0012272600000000, 0.0031491400000000 ] - [ 0.0000639900000000, 0.0001005600000000, 0.0001213200000000 ] - [ -0.0001194900000000, 0.0010308800000000, 0.0004663600000000 ] - [ 0.0000701500000000, 0.0001085000000000, 0.0000607800000000 ] - [ -0.0000889200000000, 0.0010716100000000, 0.0006817700000000 ] - [ 0.0005186500000000, 0.0008109700000000, 0.0003478100000000 ] - [ -0.0004791400000000, 0.0001980400000000, 0.0001985200000000 ] - [ 0.0004491600000000, 0.0008578800000000, 0.0004404600000000 ] - [ -0.0004590000000000, 0.0001825400000000, 0.0002113700000000 ] - [ 0.0005186500000000, 0.0008109700000000, -0.0003478100000000 ] - [ -0.0004791400000000, 0.0001980400000000, -0.0001985200000000 ] - [ 0.0004491600000000, 0.0008578800000000, -0.0004404600000000 ] - [ -0.0004590000000000, 0.0001825400000000, -0.0002113700000000 ] - [ 0.0000639900000000, 0.0001005600000000, -0.0001213200000000 ] - [ -0.0001194900000000, 0.0010308800000000, -0.0004663600000000 ] - [ 0.0000701500000000, 0.0001085000000000, -0.0000607800000000 ] - [ -0.0000889200000000, 0.0010716100000000, -0.0006817700000000 ] - [ -0.0005193100000000, 0.0007438700000000, 0.0000000000000000 ] - [ -0.0005200600000000, 0.0006667300000000, 0.0000000000000000 ] - [ -0.0005003600000000, 0.0007095800000000, 0.0000000000000000 ] - [ -0.0005034000000000, 0.0006457300000000, 0.0000000000000000 ] - [ 0.0030140500000000, 0.0030557700000000, -0.0011448100000000 ] - [ -0.0012054000000000, -0.0006845700000000, 0.0000522700000000 ] - [ 0.0030140500000000, 0.0030557700000000, 0.0011448100000000 ] - [ -0.0012054000000000, -0.0006845700000000, -0.0000522700000000 ] - [ 0.0011974000000000, 0.0013942400000000, 0.0000000000000000 ] - [ -0.0002240900000000, -0.0000334500000000, 0.0000000000000000 ] - [ 0.0011428300000000, 0.0013114000000000, 0.0000000000000000 ] - [ -0.0001994100000000, -0.0000291800000000, 0.0000000000000000 ] - [ 0.0001613100000000, -0.0004680400000000, 0.0001358100000000 ] - [ -0.0020130100000000, 0.0035630800000000, -0.0016580200000000 ] - [ 0.0001613100000000, -0.0004680400000000, -0.0001358100000000 ] - [ -0.0020130100000000, 0.0035630800000000, 0.0016580200000000 ] - [ -0.0006600200000000, 0.0006877800000000, 0.0000000000000000 ] - [ 0.0007246600000000, 0.0010244300000000, 0.0000000000000000 ] - [ -0.0006138600000000, 0.0006860500000000, 0.0000000000000000 ] - [ 0.0006654400000000, 0.0009566300000000, 0.0000000000000000 ] - [ 0.0014083600000000, -0.0005378500000000, 0.0000863700000000 ] - [ -0.0015961700000000, -0.0000745100000000, -0.0000726900000000 ] - [ 0.0014083600000000, -0.0005378500000000, -0.0000863700000000 ] - [ -0.0015961700000000, -0.0000745100000000, 0.0000726900000000 ] - [ 0.0000130500000000, 0.0012573500000000, 0.0006181900000000 ] - [ -0.0002075200000000, 0.0001587500000000, 0.0001278400000000 ] - [ -0.0000095000000000, 0.0012579200000000, 0.0008412100000000 ] - [ -0.0002113000000000, 0.0001477400000000, 0.0000565400000000 ] - [ 0.0000130500000000, 0.0012573500000000, -0.0006181900000000 ] - [ -0.0002075200000000, 0.0001587500000000, -0.0001278400000000 ] - [ -0.0000095000000000, 0.0012579200000000, -0.0008412100000000 ] - [ -0.0002113000000000, 0.0001477400000000, -0.0000565400000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.1138144800000000, 0.2015494200000000, 0.0000000000000000 ] - [ 0.0019223100000000, 0.0008106100000000, 0.0000000000000000 ] - [ -0.0007353900000000, 0.0070906500000000, 0.0000000000000000 ] - [ 0.0007101700000000, 0.0007681000000000, 0.0000000000000000 ] - [ 0.0023261500000000, -0.0006950800000000, -0.0019509700000000 ] - [ -0.0052320500000000, 0.0019134100000000, 0.0000264300000000 ] - [ 0.0023261500000000, -0.0006950800000000, 0.0019509700000000 ] - [ -0.0052320500000000, 0.0019134100000000, -0.0000264300000000 ] - [ 0.0102368100000000, 0.0000341300000000, 0.0000000000000000 ] - [ 0.0018331400000000, 0.0093761000000000, 0.0000000000000000 ] - [ 0.0012042100000000, 0.0017517000000000, 0.0000000000000000 ] - [ 0.0005917700000000, 0.0033403400000000, 0.0000000000000000 ] - [ -0.0062340500000000, -0.0079933500000000, -0.0156955000000000 ] - [ 0.0016362100000000, 0.0006099800000000, 0.0000416200000000 ] - [ -0.0062340500000000, -0.0079933500000000, 0.0156955000000000 ] - [ 0.0016362100000000, 0.0006099800000000, -0.0000416200000000 ] - [ 0.0024356100000000, 0.0028357000000000, 0.0000000000000000 ] - [ -0.1034176700000000, 0.1023510600000000, 0.0000000000000000 ] - [ 0.0010335000000000, 0.0017701600000000, 0.0000000000000000 ] - [ -0.0016544500000000, 0.0080821300000000, 0.0000000000000000 ] - [ 0.0031692400000000, -0.0043053900000000, -0.0003449900000000 ] - [ -0.0003939700000000, -0.0015938000000000, -0.0000156200000000 ] - [ 0.0031692400000000, -0.0043053900000000, 0.0003449900000000 ] - [ -0.0003939700000000, -0.0015938000000000, 0.0000156200000000 ] - [ 0.0004675900000000, -0.0018666200000000, 0.0000000000000000 ] - [ 0.0000953700000000, -0.0030573000000000, 0.0000000000000000 ] - [ 0.0004858100000000, -0.0017765400000000, 0.0000000000000000 ] - [ -0.0000700300000000, -0.0027406900000000, 0.0000000000000000 ] - [ -0.0029774900000000, -0.0038792700000000, 0.0004717800000000 ] - [ 0.0019533400000000, -0.0001361300000000, 0.0000538300000000 ] - [ -0.0029774900000000, -0.0038792700000000, -0.0004717800000000 ] - [ 0.0019533400000000, -0.0001361300000000, -0.0000538300000000 ] - [ -0.0010269900000000, -0.0038148000000000, 0.0000000000000000 ] - [ 0.0004487400000000, -0.0012252600000000, 0.0000000000000000 ] - [ -0.0009038900000000, -0.0032934800000000, 0.0000000000000000 ] - [ 0.0004283000000000, -0.0011981400000000, 0.0000000000000000 ] - [ -0.0018907500000000, -0.0003770200000000, 0.0000993600000000 ] - [ 0.0030535200000000, -0.0036697300000000, 0.0001672400000000 ] - [ -0.0018907500000000, -0.0003770200000000, -0.0000993600000000 ] - [ 0.0030535200000000, -0.0036697300000000, -0.0001672400000000 ] - [ -0.0004635400000000, -0.0039281900000000, 0.0000000000000000 ] - [ 0.0005793800000000, -0.0017306200000000, 0.0000000000000000 ] - [ -0.0005243200000000, -0.0035756700000000, 0.0000000000000000 ] - [ 0.0005736200000000, -0.0016762600000000, 0.0000000000000000 ] - [ 0.0002534500000000, 0.0015021000000000, -0.0002043300000000 ] - [ -0.0014106700000000, -0.0093820900000000, 0.0152921000000000 ] - [ 0.0002534500000000, 0.0015021000000000, 0.0002043300000000 ] - [ -0.0014106700000000, -0.0093820900000000, -0.0152921000000000 ] - [ -0.0050506400000000, 0.0249776500000000, 0.0230600100000000 ] - [ -0.0006636500000000, -0.0005056700000000, -0.0004570400000000 ] - [ 0.0000930700000000, -0.0021146800000000, -0.0044941200000000 ] - [ -0.0004314600000000, -0.0004161400000000, -0.0003195100000000 ] - [ -0.0023534900000000, 0.0011638000000000, 0.0018879900000000 ] - [ 0.0013078500000000, -0.0026691600000000, -0.0017125700000000 ] - [ -0.0004645600000000, -0.0004554400000000, -0.0007220900000000 ] - [ 0.0008719600000000, -0.0014756300000000, -0.0009694800000000 ] - [ -0.0023534900000000, 0.0011638000000000, -0.0018879900000000 ] - [ 0.0013078500000000, -0.0026691600000000, 0.0017125700000000 ] - [ -0.0004645600000000, -0.0004554400000000, 0.0007220900000000 ] - [ 0.0008719600000000, -0.0014756300000000, 0.0009694800000000 ] - [ -0.0050506400000000, 0.0249776500000000, -0.0230600100000000 ] - [ -0.0006636500000000, -0.0005056700000000, 0.0004570400000000 ] - [ 0.0000930700000000, -0.0021146800000000, 0.0044941200000000 ] - [ -0.0004314600000000, -0.0004161400000000, 0.0003195100000000 ] - [ 0.2893111600000000, -0.3708021300000000, 0.0000000000000000 ] - [ -0.0010926500000000, -0.0004099200000000, 0.0000000000000000 ] - [ 0.0030458600000000, -0.0050314700000000, 0.0000000000000000 ] - [ -0.0003407500000000, -0.0005901400000000, 0.0000000000000000 ] - [ -0.0010058600000000, 0.0006675100000000, 0.0003386400000000 ] - [ 0.0011343300000000, 0.0006685500000000, -0.0000512100000000 ] - [ -0.0010058600000000, 0.0006675100000000, -0.0003386400000000 ] - [ 0.0011343300000000, 0.0006685500000000, 0.0000512100000000 ] - [ -0.0034304500000000, -0.0030064700000000, 0.0000000000000000 ] - [ -0.0077322400000000, -0.0124934700000000, 0.0000000000000000 ] - [ -0.0009893600000000, -0.0015322900000000, 0.0000000000000000 ] - [ -0.0011624800000000, -0.0031100900000000, 0.0000000000000000 ] - [ -0.0022845400000000, 0.0052781900000000, 0.0024263900000000 ] - [ -0.0002560300000000, 0.0004924800000000, -0.0000076800000000 ] - [ -0.0022845400000000, 0.0052781900000000, -0.0024263900000000 ] - [ -0.0002560300000000, 0.0004924800000000, 0.0000076800000000 ] - [ -0.0185573900000000, 0.0012724300000000, 0.0000000000000000 ] - [ -0.0019966400000000, -0.0009058300000000, 0.0000000000000000 ] - [ -0.0005713600000000, -0.0007769400000000, 0.0000000000000000 ] - [ -0.0004135900000000, -0.0002365900000000, 0.0000000000000000 ] - [ -0.0017580600000000, -0.0003563300000000, 0.0002643700000000 ] - [ 0.0052656000000000, 0.0004156700000000, 0.0017101300000000 ] - [ -0.0017580600000000, -0.0003563300000000, -0.0002643700000000 ] - [ 0.0052656000000000, 0.0004156700000000, -0.0017101300000000 ] - [ -0.0003500900000000, -0.0011120300000000, -0.0007217800000000 ] - [ -0.0151771700000000, 0.0198789700000000, 0.0218218700000000 ] - [ -0.0001882300000000, -0.0007768100000000, -0.0003946200000000 ] - [ 0.0003430700000000, -0.0023524500000000, -0.0047494000000000 ] - [ -0.0003500900000000, -0.0011120300000000, 0.0007217800000000 ] - [ -0.0151771700000000, 0.0198789700000000, -0.0218218700000000 ] - [ -0.0001882300000000, -0.0007768100000000, 0.0003946200000000 ] - [ 0.0003430700000000, -0.0023524500000000, 0.0047494000000000 ] - [ 0.0003262900000000, 0.0006119600000000, 0.0003956900000000 ] - [ -0.0002826200000000, 0.0014974500000000, 0.0007003900000000 ] - [ 0.0003129400000000, 0.0005889800000000, 0.0004283900000000 ] - [ -0.0002211500000000, 0.0015840200000000, 0.0009755100000000 ] - [ 0.0004021700000000, 0.0017136000000000, 0.0007083500000000 ] - [ -0.0004532400000000, 0.0004248500000000, 0.0003318800000000 ] - [ 0.0003455300000000, 0.0016563800000000, 0.0010051500000000 ] - [ -0.0004450800000000, 0.0004170000000000, 0.0003493300000000 ] - [ 0.0004021700000000, 0.0017136000000000, -0.0007083500000000 ] - [ -0.0004532400000000, 0.0004248500000000, -0.0003318800000000 ] - [ 0.0003455300000000, 0.0016563800000000, -0.0010051500000000 ] - [ -0.0004450800000000, 0.0004170000000000, -0.0003493300000000 ] - [ 0.0003262900000000, 0.0006119600000000, -0.0003956900000000 ] - [ -0.0002826200000000, 0.0014974500000000, -0.0007003900000000 ] - [ 0.0003129400000000, 0.0005889800000000, -0.0004283900000000 ] - [ -0.0002211500000000, 0.0015840200000000, -0.0009755100000000 ] - [ -0.0008649000000000, 0.0014693600000000, 0.0000000000000000 ] - [ -0.0009438400000000, 0.0014698100000000, 0.0000000000000000 ] - [ -0.0008420200000000, 0.0014111400000000, 0.0000000000000000 ] - [ -0.0009093400000000, 0.0014105500000000, 0.0000000000000000 ] - [ 0.0028632700000000, 0.0041541800000000, -0.0017898100000000 ] - [ -0.0008793200000000, -0.0005234100000000, 0.0000146900000000 ] - [ 0.0028632700000000, 0.0041541800000000, 0.0017898100000000 ] - [ -0.0008793200000000, -0.0005234100000000, -0.0000146900000000 ] - [ 0.0015933900000000, 0.0023820400000000, 0.0000000000000000 ] - [ 0.0001632700000000, 0.0005746100000000, 0.0000000000000000 ] - [ 0.0015138100000000, 0.0021980000000000, 0.0000000000000000 ] - [ 0.0001660800000000, 0.0005606200000000, 0.0000000000000000 ] - [ 0.0006619200000000, -0.0003875700000000, -0.0000052100000000 ] - [ -0.0033698900000000, 0.0050094200000000, -0.0022180100000000 ] - [ 0.0006619200000000, -0.0003875700000000, 0.0000052100000000 ] - [ -0.0033698900000000, 0.0050094200000000, 0.0022180100000000 ] - [ -0.0003625300000000, 0.0009350700000000, 0.0000000000000000 ] - [ 0.0003683500000000, 0.0014883800000000, 0.0000000000000000 ] - [ -0.0003613400000000, 0.0009234500000000, 0.0000000000000000 ] - [ 0.0003940500000000, 0.0013604400000000, 0.0000000000000000 ] - [ 0.0019318000000000, 0.0000908500000000, -0.0001373000000000 ] - [ -0.0019522900000000, 0.0000012600000000, -0.0000514900000000 ] - [ 0.0019318000000000, 0.0000908500000000, 0.0001373000000000 ] - [ -0.0019522900000000, 0.0000012600000000, 0.0000514900000000 ] - [ -0.0003245000000000, 0.0019955300000000, 0.0010544700000000 ] - [ -0.0000136600000000, 0.0008252000000000, 0.0004814900000000 ] - [ -0.0003760000000000, 0.0020095500000000, 0.0013260000000000 ] - [ -0.0000215400000000, 0.0008101400000000, 0.0004790500000000 ] - [ -0.0003245000000000, 0.0019955300000000, -0.0010544700000000 ] - [ -0.0000136600000000, 0.0008252000000000, -0.0004814900000000 ] - [ -0.0003760000000000, 0.0020095500000000, -0.0013260000000000 ] - [ -0.0000215400000000, 0.0008101400000000, -0.0004790500000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.1058835200000000, -0.1925856600000000, 0.0000000000000000 ] - [ -0.0018607200000000, -0.0011910300000000, 0.0000000000000000 ] - [ 0.0007534100000000, -0.0074500600000000, 0.0000000000000000 ] - [ -0.0006876900000000, -0.0011619400000000, 0.0000000000000000 ] - [ -0.0022920000000000, 0.0010862900000000, 0.0019483400000000 ] - [ 0.0052159500000000, -0.0014922700000000, -0.0000035400000000 ] - [ -0.0022920000000000, 0.0010862900000000, -0.0019483400000000 ] - [ 0.0052159500000000, -0.0014922700000000, 0.0000035400000000 ] - [ -0.0102404800000000, -0.0004199500000000, 0.0000000000000000 ] - [ -0.0017714000000000, -0.0095841600000000, 0.0000000000000000 ] - [ -0.0012136000000000, -0.0021357200000000, 0.0000000000000000 ] - [ -0.0006033900000000, -0.0037258000000000, 0.0000000000000000 ] - [ 0.0061687400000000, 0.0083456300000000, 0.0156173500000000 ] - [ -0.0016426700000000, -0.0002144300000000, -0.0000360100000000 ] - [ 0.0061687400000000, 0.0083456300000000, -0.0156173500000000 ] - [ -0.0016426700000000, -0.0002144300000000, 0.0000360100000000 ] - [ -0.0024241300000000, -0.0026398000000000, 0.0000000000000000 ] - [ 0.1084421400000000, -0.1041295600000000, 0.0000000000000000 ] - [ -0.0010292600000000, -0.0015693600000000, 0.0000000000000000 ] - [ 0.0016384000000000, -0.0078788500000000, 0.0000000000000000 ] - [ -0.0031478800000000, 0.0040942400000000, 0.0003425200000000 ] - [ 0.0003924200000000, 0.0013967400000000, 0.0000160000000000 ] - [ -0.0031478800000000, 0.0040942400000000, -0.0003425200000000 ] - [ 0.0003924200000000, 0.0013967400000000, -0.0000160000000000 ] - [ -0.0004445300000000, 0.0014669800000000, 0.0000000000000000 ] - [ -0.0000788400000000, 0.0026655700000000, 0.0000000000000000 ] - [ -0.0004608600000000, 0.0013802500000000, 0.0000000000000000 ] - [ 0.0000814200000000, 0.0023485600000000, 0.0000000000000000 ] - [ 0.0029916600000000, 0.0042656500000000, -0.0004747100000000 ] - [ -0.0019295200000000, 0.0005262600000000, -0.0000518500000000 ] - [ 0.0029916600000000, 0.0042656500000000, 0.0004747100000000 ] - [ -0.0019295200000000, 0.0005262600000000, 0.0000518500000000 ] - [ 0.0010021600000000, 0.0034198000000000, 0.0000000000000000 ] - [ -0.0004610100000000, 0.0008298900000000, 0.0000000000000000 ] - [ 0.0008825500000000, 0.0028906200000000, 0.0000000000000000 ] - [ -0.0004436200000000, 0.0008056000000000, 0.0000000000000000 ] - [ 0.0018728900000000, 0.0007632700000000, -0.0000985700000000 ] - [ -0.0030685300000000, 0.0040511300000000, -0.0001667600000000 ] - [ 0.0018728900000000, 0.0007632700000000, 0.0000985700000000 ] - [ -0.0030685300000000, 0.0040511300000000, 0.0001667600000000 ] - [ 0.0004592800000000, 0.0041089400000000, 0.0000000000000000 ] - [ -0.0005752600000000, 0.0019277700000000, 0.0000000000000000 ] - [ 0.0005250800000000, 0.0037600800000000, 0.0000000000000000 ] - [ -0.0005686600000000, 0.0018728200000000, 0.0000000000000000 ] - [ -0.0002524900000000, -0.0016984800000000, 0.0002056600000000 ] - [ 0.0014092000000000, 0.0091721700000000, -0.0152732300000000 ] - [ -0.0002524900000000, -0.0016984800000000, -0.0002056600000000 ] - [ 0.0014092000000000, 0.0091721700000000, 0.0152732300000000 ] - [ 0.0049139800000000, -0.0246229600000000, -0.0227370100000000 ] - [ 0.0006562200000000, 0.0004978400000000, 0.0004473100000000 ] - [ -0.0000894300000000, 0.0021008500000000, 0.0044647200000000 ] - [ 0.0004287100000000, 0.0004132000000000, 0.0003188500000000 ] - [ 0.0023490100000000, -0.0011653000000000, -0.0018881100000000 ] - [ -0.0013035900000000, 0.0026313900000000, 0.0016823600000000 ] - [ 0.0004616400000000, 0.0004522000000000, 0.0007196000000000 ] - [ -0.0008654400000000, 0.0014733000000000, 0.0009747500000000 ] - [ 0.0023490100000000, -0.0011653000000000, 0.0018881100000000 ] - [ -0.0013035900000000, 0.0026313900000000, -0.0016823600000000 ] - [ 0.0004616400000000, 0.0004522000000000, -0.0007196000000000 ] - [ -0.0008654400000000, 0.0014733000000000, -0.0009747500000000 ] - [ 0.0049139800000000, -0.0246229600000000, 0.0227370100000000 ] - [ 0.0006562200000000, 0.0004978400000000, -0.0004473100000000 ] - [ -0.0000894300000000, 0.0021008500000000, -0.0044647200000000 ] - [ 0.0004287100000000, 0.0004132000000000, -0.0003188500000000 ] - [ -0.2864271500000000, 0.3628288300000000, 0.0000000000000000 ] - [ 0.0008627600000000, 0.0002406700000000, 0.0000000000000000 ] - [ -0.0032585300000000, 0.0048385200000000, 0.0000000000000000 ] - [ 0.0001164900000000, 0.0004146800000000, 0.0000000000000000 ] - [ 0.0007785800000000, -0.0004966100000000, -0.0003377900000000 ] - [ -0.0013528300000000, -0.0004947100000000, 0.0000464100000000 ] - [ 0.0007785800000000, -0.0004966100000000, 0.0003377900000000 ] - [ -0.0013528300000000, -0.0004947100000000, -0.0000464100000000 ] - [ 0.0036356000000000, 0.0028224400000000, 0.0000000000000000 ] - [ 0.0076436800000000, 0.0122946600000000, 0.0000000000000000 ] - [ 0.0012052800000000, 0.0013521900000000, 0.0000000000000000 ] - [ 0.0013836200000000, 0.0029341000000000, 0.0000000000000000 ] - [ 0.0024939400000000, -0.0050694700000000, -0.0024106200000000 ] - [ 0.0004713700000000, -0.0003199200000000, 0.0000054900000000 ] - [ 0.0024939400000000, -0.0050694700000000, 0.0024106200000000 ] - [ 0.0004713700000000, -0.0003199200000000, -0.0000054900000000 ] - [ 0.0184828200000000, -0.0003372900000000, 0.0000000000000000 ] - [ 0.0019441700000000, 0.0018908800000000, 0.0000000000000000 ] - [ 0.0005669000000000, 0.0017678500000000, 0.0000000000000000 ] - [ 0.0004136300000000, 0.0012317100000000, 0.0000000000000000 ] - [ 0.0017473900000000, -0.0006502400000000, -0.0002659700000000 ] - [ -0.0052219900000000, -0.0014134900000000, -0.0017028500000000 ] - [ 0.0017473900000000, -0.0006502400000000, 0.0002659700000000 ] - [ -0.0052219900000000, -0.0014134900000000, 0.0017028500000000 ] - [ 0.0003467700000000, 0.0011114600000000, 0.0007226700000000 ] - [ 0.0153989300000000, -0.0199899300000000, -0.0219999700000000 ] - [ 0.0001858000000000, 0.0007762900000000, 0.0003933700000000 ] - [ -0.0003467100000000, 0.0023530200000000, 0.0047484300000000 ] - [ 0.0003467700000000, 0.0011114600000000, -0.0007226700000000 ] - [ 0.0153989300000000, -0.0199899300000000, 0.0219999700000000 ] - [ 0.0001858000000000, 0.0007762900000000, -0.0003933700000000 ] - [ -0.0003467100000000, 0.0023530200000000, -0.0047484300000000 ] - [ -0.0003261400000000, -0.0006119600000000, -0.0003961100000000 ] - [ 0.0002844100000000, -0.0014967800000000, -0.0006996100000000 ] - [ -0.0003120200000000, -0.0005876500000000, -0.0004281100000000 ] - [ 0.0002206400000000, -0.0015833700000000, -0.0009752400000000 ] - [ -0.0004014300000000, -0.0017082100000000, -0.0007054800000000 ] - [ 0.0004528400000000, -0.0004243700000000, -0.0003304300000000 ] - [ -0.0003431000000000, -0.0016535600000000, -0.0010020100000000 ] - [ 0.0004439300000000, -0.0004164500000000, -0.0003496500000000 ] - [ -0.0004014300000000, -0.0017082100000000, 0.0007054800000000 ] - [ 0.0004528400000000, -0.0004243700000000, 0.0003304300000000 ] - [ -0.0003431000000000, -0.0016535600000000, 0.0010020100000000 ] - [ 0.0004439300000000, -0.0004164500000000, 0.0003496500000000 ] - [ -0.0003261400000000, -0.0006119600000000, 0.0003961100000000 ] - [ 0.0002844100000000, -0.0014967800000000, 0.0006996100000000 ] - [ -0.0003120200000000, -0.0005876500000000, 0.0004281100000000 ] - [ 0.0002206400000000, -0.0015833700000000, 0.0009752400000000 ] - [ 0.0006389600000000, -0.0016417700000000, 0.0000000000000000 ] - [ 0.0007257500000000, -0.0016405000000000, 0.0000000000000000 ] - [ 0.0006196000000000, -0.0015810000000000, 0.0000000000000000 ] - [ 0.0006898400000000, -0.0015814100000000, 0.0000000000000000 ] - [ -0.0030807700000000, -0.0039707400000000, 0.0017876000000000 ] - [ 0.0006588900000000, 0.0006976700000000, -0.0000149600000000 ] - [ -0.0030807700000000, -0.0039707400000000, -0.0017876000000000 ] - [ 0.0006588900000000, 0.0006976700000000, 0.0000149600000000 ] - [ -0.0013713100000000, -0.0025477800000000, 0.0000000000000000 ] - [ 0.0000545300000000, -0.0007508600000000, 0.0000000000000000 ] - [ -0.0012888400000000, -0.0023683100000000, 0.0000000000000000 ] - [ 0.0000522900000000, -0.0007334900000000, 0.0000000000000000 ] - [ -0.0004438300000000, 0.0005635100000000, 0.0000049700000000 ] - [ 0.0035910000000000, -0.0048402300000000, 0.0022191200000000 ] - [ -0.0004438300000000, 0.0005635100000000, -0.0000049700000000 ] - [ 0.0035910000000000, -0.0048402300000000, -0.0022191200000000 ] - [ 0.0003610100000000, 0.0000657100000000, 0.0000000000000000 ] - [ -0.0003631200000000, -0.0004803200000000, 0.0000000000000000 ] - [ 0.0003567200000000, 0.0000805800000000, 0.0000000000000000 ] - [ -0.0003884300000000, -0.0003608100000000, 0.0000000000000000 ] - [ -0.0019270200000000, -0.0010898400000000, 0.0001367100000000 ] - [ 0.0019507100000000, -0.0010034300000000, 0.0000517300000000 ] - [ -0.0019270200000000, -0.0010898400000000, -0.0001367100000000 ] - [ 0.0019507100000000, -0.0010034300000000, -0.0000517300000000 ] - [ 0.0003219100000000, -0.0019885000000000, -0.0010498000000000 ] - [ 0.0000129600000000, -0.0008273700000000, -0.0004824100000000 ] - [ 0.0003747900000000, -0.0020012100000000, -0.0013196700000000 ] - [ 0.0000216900000000, -0.0008127400000000, -0.0004816300000000 ] - [ 0.0003219100000000, -0.0019885000000000, 0.0010498000000000 ] - [ 0.0000129600000000, -0.0008273700000000, 0.0004824100000000 ] - [ 0.0003747900000000, -0.0020012100000000, 0.0013196700000000 ] - [ 0.0000216900000000, -0.0008127400000000, 0.0004816300000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0003556100000000, -0.0007352800000000, 0.0282527800000000 ] - [ 0.0000162700000000, -0.0001944700000000, 0.0002353400000000 ] - [ 0.0000113600000000, -0.0002028100000000, -0.0044001200000000 ] - [ 0.0000076100000000, -0.0001997300000000, -0.0002034600000000 ] - [ 0.0005483500000000, 0.0004370700000000, 0.0000240600000000 ] - [ -0.0019375500000000, 0.0000582700000000, -0.0002632100000000 ] - [ -0.0005289400000000, -0.0000428900000000, 0.0000163200000000 ] - [ 0.0019533400000000, 0.0003354000000000, -0.0002680700000000 ] - [ -0.0000268000000000, -0.0001941000000000, 0.0002739000000000 ] - [ -0.0000020300000000, -0.0001659000000000, 0.0016900100000000 ] - [ -0.0000053900000000, -0.0001991400000000, -0.0007517100000000 ] - [ -0.0000082700000000, -0.0001985200000000, -0.0013767300000000 ] - [ -0.0018522500000000, -0.0038965000000000, -0.0072212500000000 ] - [ 0.0000168200000000, 0.0002914100000000, -0.0000080900000000 ] - [ 0.0018404400000000, 0.0042906700000000, -0.0072385000000000 ] - [ -0.0000354500000000, 0.0001007000000000, -0.0000093800000000 ] - [ -0.0000022000000000, 0.0000936200000000, 0.0002664600000000 ] - [ -0.0005635400000000, 0.0004513400000000, 0.0294199400000000 ] - [ -0.0000001600000000, 0.0000987600000000, -0.0002421100000000 ] - [ -0.0000063800000000, 0.0000989700000000, -0.0043654800000000 ] - [ 0.0015796000000000, -0.0014849800000000, 0.0000195400000000 ] - [ -0.0003427200000000, -0.0004217700000000, -0.0000024000000000 ] - [ -0.0015754800000000, 0.0012927300000000, 0.0000197200000000 ] - [ 0.0003399100000000, 0.0002244500000000, -0.0000019500000000 ] - [ 0.0000101600000000, -0.0001972000000000, 0.0002712000000000 ] - [ 0.0000100100000000, -0.0001941900000000, 0.0007961600000000 ] - [ 0.0000110700000000, -0.0001960500000000, -0.0002683300000000 ] - [ 0.0000071900000000, -0.0001948400000000, -0.0008253200000000 ] - [ 0.0008928500000000, 0.0018988100000000, 0.0000024400000000 ] - [ -0.0003332100000000, 0.0003619400000000, -0.0000024600000000 ] - [ -0.0008739300000000, -0.0014993200000000, 0.0000049000000000 ] - [ 0.0003541400000000, 0.0000328500000000, -0.0000041400000000 ] - [ -0.0000110900000000, -0.0001936500000000, 0.0008489900000000 ] - [ -0.0000078500000000, -0.0001976300000000, 0.0002113600000000 ] - [ -0.0000094200000000, -0.0001981300000000, -0.0008464600000000 ] - [ -0.0000091300000000, -0.0001963100000000, -0.0002099700000000 ] - [ 0.0004295400000000, 0.0004534500000000, -0.0000074800000000 ] - [ -0.0010418800000000, 0.0018246700000000, 0.0000777600000000 ] - [ -0.0004447500000000, -0.0000600100000000, -0.0000081800000000 ] - [ 0.0010236400000000, -0.0014333900000000, 0.0000779200000000 ] - [ -0.0000020300000000, 0.0000975000000000, 0.0008225200000000 ] - [ 0.0000021700000000, 0.0000980900000000, 0.0002435000000000 ] - [ 0.0000008800000000, 0.0000988600000000, -0.0008556800000000 ] - [ 0.0000024300000000, 0.0000984200000000, -0.0002441000000000 ] - [ 0.0001074200000000, -0.0001974500000000, -0.0000071800000000 ] - [ 0.0000983000000000, 0.0043436400000000, -0.0070581900000000 ] - [ -0.0001068000000000, 0.0000020700000000, -0.0000082700000000 ] - [ -0.0001121200000000, -0.0045363000000000, -0.0070708700000000 ] - [ -0.0038251400000000, 0.0171836400000000, 0.0051979300000000 ] - [ -0.0000011600000000, -0.0000505600000000, -0.0000959800000000 ] - [ 0.0003341000000000, 0.0004490100000000, 0.0029346500000000 ] - [ 0.0000122600000000, 0.0000540500000000, 0.0001000900000000 ] - [ 0.0000569300000000, -0.0003057500000000, -0.0004767200000000 ] - [ 0.0006928600000000, -0.0002133400000000, -0.0007709000000000 ] - [ 0.0000947200000000, 0.0001145000000000, 0.0002880300000000 ] - [ -0.0004296000000000, 0.0002739100000000, 0.0007587400000000 ] - [ -0.0000493300000000, 0.0002994900000000, -0.0004672900000000 ] - [ -0.0006914000000000, 0.0002076200000000, -0.0007628100000000 ] - [ -0.0000955600000000, -0.0001141900000000, 0.0002866500000000 ] - [ 0.0004333500000000, -0.0002691400000000, 0.0007540600000000 ] - [ 0.0037872800000000, -0.0170484700000000, 0.0051977700000000 ] - [ 0.0000015900000000, 0.0000492000000000, -0.0000928800000000 ] - [ -0.0003342900000000, -0.0004443200000000, 0.0029314200000000 ] - [ -0.0000120300000000, -0.0000544300000000, 0.0001001700000000 ] - [ 0.0000540300000000, 0.0000827600000000, -0.0491448400000000 ] - [ -0.0001101900000000, -0.0000859500000000, -0.0000641600000000 ] - [ -0.0001124500000000, -0.0000880600000000, 0.0015401800000000 ] - [ -0.0001125100000000, -0.0000882200000000, 0.0000607300000000 ] - [ -0.0006022000000000, 0.0000359500000000, 0.0000140600000000 ] - [ 0.0004114700000000, 0.0004270200000000, 0.0000145900000000 ] - [ 0.0003808100000000, 0.0001349100000000, 0.0000153400000000 ] - [ -0.0006338600000000, -0.0002480100000000, 0.0000169700000000 ] - [ 0.0001136400000000, -0.0000840500000000, -0.0001499400000000 ] - [ 0.0000786400000000, -0.0000902700000000, -0.0072728600000000 ] - [ 0.0001115800000000, -0.0000873200000000, 0.0001539300000000 ] - [ 0.0001128000000000, -0.0000852500000000, 0.0008054800000000 ] - [ -0.0011938900000000, 0.0025055100000000, 0.0011552600000000 ] - [ 0.0002070800000000, 0.0000803500000000, 0.0000005900000000 ] - [ 0.0014159400000000, -0.0023293100000000, 0.0011559300000000 ] - [ 0.0000120800000000, 0.0000938100000000, 0.0000025700000000 ] - [ 0.0000262000000000, 0.0004827500000000, -0.0052891800000000 ] - [ -0.0000069400000000, 0.0005010400000000, -0.0001586300000000 ] - [ -0.0000024800000000, 0.0004988800000000, 0.0007839200000000 ] - [ 0.0000022700000000, 0.0004977900000000, 0.0002193900000000 ] - [ -0.0001267300000000, -0.0005482500000000, -0.0000151400000000 ] - [ 0.0017607500000000, 0.0001018300000000, 0.0007117000000000 ] - [ 0.0001274200000000, -0.0004575700000000, -0.0000124900000000 ] - [ -0.0017570800000000, -0.0011033300000000, 0.0007146100000000 ] - [ 0.0000330400000000, -0.0000560200000000, -0.0001099000000000 ] - [ -0.0088305500000000, 0.0143720000000000, 0.0047401600000000 ] - [ -0.0000268100000000, 0.0000607900000000, 0.0001123300000000 ] - [ 0.0001797700000000, 0.0005106000000000, 0.0028989400000000 ] - [ -0.0000338200000000, 0.0000576700000000, -0.0001128400000000 ] - [ 0.0089111400000000, -0.0144880400000000, 0.0047453700000000 ] - [ 0.0000256100000000, -0.0000593700000000, 0.0001133000000000 ] - [ -0.0001795900000000, -0.0005151100000000, 0.0029021500000000 ] - [ -0.0000939000000000, -0.0001214100000000, -0.0001794300000000 ] - [ 0.0000423300000000, -0.0004602100000000, -0.0005042200000000 ] - [ 0.0000944400000000, 0.0001190200000000, 0.0001783500000000 ] - [ -0.0000434300000000, 0.0005418200000000, 0.0005576300000000 ] - [ -0.0000220000000000, -0.0004791200000000, -0.0005332900000000 ] - [ 0.0000757900000000, -0.0000918500000000, -0.0001383000000000 ] - [ 0.0000216300000000, 0.0005133800000000, 0.0005618300000000 ] - [ -0.0000746100000000, 0.0000895300000000, 0.0001367900000000 ] - [ 0.0000219400000000, 0.0004802600000000, -0.0005336000000000 ] - [ -0.0000754100000000, 0.0000908700000000, -0.0001388300000000 ] - [ -0.0000199900000000, -0.0005150000000000, 0.0005614700000000 ] - [ 0.0000744300000000, -0.0000905200000000, 0.0001384600000000 ] - [ 0.0000941100000000, 0.0001189400000000, -0.0001775600000000 ] - [ -0.0000405800000000, 0.0004588600000000, -0.0005041400000000 ] - [ -0.0000937000000000, -0.0001201100000000, 0.0001795700000000 ] - [ 0.0000427300000000, -0.0005427300000000, 0.0005583200000000 ] - [ -0.0001115000000000, -0.0000890700000000, -0.0001451400000000 ] - [ -0.0001097200000000, -0.0000857100000000, -0.0001449900000000 ] - [ -0.0001098800000000, -0.0000876400000000, 0.0001562600000000 ] - [ -0.0001102000000000, -0.0000854400000000, 0.0001553000000000 ] - [ -0.0012573900000000, -0.0017038900000000, 0.0006706100000000 ] - [ -0.0000586200000000, 0.0001039200000000, 0.0000022600000000 ] - [ 0.0010342100000000, 0.0018790000000000, 0.0006718600000000 ] - [ -0.0001631600000000, 0.0000705900000000, 0.0000027700000000 ] - [ 0.0001096700000000, -0.0000864000000000, -0.0002281000000000 ] - [ 0.0001106200000000, -0.0000884200000000, -0.0000630500000000 ] - [ 0.0001119800000000, -0.0000888900000000, 0.0002302800000000 ] - [ 0.0001106200000000, -0.0000866800000000, 0.0000607900000000 ] - [ -0.0000261700000000, 0.0000828400000000, 0.0000051500000000 ] - [ 0.0017718100000000, -0.0021346400000000, 0.0010497100000000 ] - [ 0.0002466500000000, 0.0000922500000000, 0.0000056400000000 ] - [ -0.0015484000000000, 0.0023053300000000, 0.0010500600000000 ] - [ 0.0000002600000000, 0.0005002100000000, -0.0000699000000000 ] - [ 0.0000013100000000, 0.0005036800000000, -0.0002170300000000 ] - [ -0.0000013100000000, 0.0005014200000000, 0.0000693900000000 ] - [ 0.0000013800000000, 0.0004989700000000, 0.0002172100000000 ] - [ -0.0004860700000000, -0.0007785000000000, 0.0000112400000000 ] - [ 0.0005001600000000, -0.0006909500000000, -0.0000079700000000 ] - [ 0.0004880100000000, -0.0002225900000000, 0.0000117600000000 ] - [ -0.0005000000000000, -0.0003129100000000, -0.0000084700000000 ] - [ 0.0001691200000000, -0.0004495000000000, -0.0005261400000000 ] - [ -0.0000442000000000, -0.0001178100000000, -0.0001467900000000 ] - [ -0.0002204500000000, 0.0005141700000000, 0.0005841600000000 ] - [ 0.0000444600000000, 0.0001164000000000, 0.0001454700000000 ] - [ -0.0001691000000000, 0.0004493900000000, -0.0005275500000000 ] - [ 0.0000441400000000, 0.0001161500000000, -0.0001458100000000 ] - [ 0.0002221400000000, -0.0005129900000000, 0.0005835600000000 ] - [ -0.0000436500000000, -0.0001180100000000, 0.0001482500000000 ]- atom: 81 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.2531973400000000, 0.0618991700000000, 0.0000000000000000 ] - [ -0.0083895500000000, 0.0023733500000000, 0.0000000000000000 ] - [ 0.0059251500000000, 0.0033508300000000, 0.0000000000000000 ] - [ -0.0038621000000000, -0.0010112300000000, 0.0000000000000000 ] - [ 0.0003729000000000, 0.0118317000000000, 0.0161137300000000 ] - [ -0.0055851800000000, -0.0007053000000000, -0.0012500600000000 ] - [ 0.0003729000000000, 0.0118317000000000, -0.0161137300000000 ] - [ -0.0055851800000000, -0.0007053000000000, 0.0012500600000000 ] - [ 0.2371316000000000, -0.0573124800000000, 0.0000000000000000 ] - [ -0.0084183300000000, -0.0027860400000000, 0.0000000000000000 ] - [ 0.0058964100000000, -0.0037476500000000, 0.0000000000000000 ] - [ -0.0038701100000000, 0.0006164400000000, 0.0000000000000000 ] - [ 0.0003706200000000, -0.0114205200000000, -0.0160991400000000 ] - [ -0.0056110900000000, 0.0010885700000000, 0.0012422400000000 ] - [ 0.0003706200000000, -0.0114205200000000, 0.0160991400000000 ] - [ -0.0056110900000000, 0.0010885700000000, -0.0012422400000000 ] - [ -0.0157963000000000, -0.0136702100000000, 0.0000000000000000 ] - [ -0.0158397400000000, 0.0139151300000000, 0.0000000000000000 ] - [ -0.0010474400000000, 0.0001295900000000, 0.0000000000000000 ] - [ -0.0010399500000000, 0.0000577800000000, 0.0000000000000000 ] - [ 0.0085755100000000, -0.0000924600000000, 0.0000021100000000 ] - [ -0.0038199300000000, -0.0000991200000000, -0.0000006400000000 ] - [ 0.0085755100000000, -0.0000924600000000, -0.0000021100000000 ] - [ -0.0038199300000000, -0.0000991200000000, 0.0000006400000000 ] - [ 0.0004596000000000, -0.0006648100000000, 0.0000000000000000 ] - [ -0.0005082500000000, 0.0002699000000000, 0.0000000000000000 ] - [ 0.0004159000000000, -0.0006219100000000, 0.0000000000000000 ] - [ -0.0004300800000000, 0.0002307500000000, 0.0000000000000000 ] - [ 0.0023042800000000, 0.0015694500000000, -0.0001270100000000 ] - [ -0.0021859100000000, -0.0010505100000000, 0.0000609800000000 ] - [ 0.0023042800000000, 0.0015694500000000, 0.0001270100000000 ] - [ -0.0021859100000000, -0.0010505100000000, -0.0000609800000000 ] - [ 0.0004462100000000, 0.0002771200000000, 0.0000000000000000 ] - [ -0.0005261700000000, -0.0006568800000000, 0.0000000000000000 ] - [ 0.0004016300000000, 0.0002305400000000, 0.0000000000000000 ] - [ -0.0004469700000000, -0.0006166700000000, 0.0000000000000000 ] - [ 0.0022849800000000, -0.0011748700000000, 0.0001270500000000 ] - [ -0.0022027900000000, 0.0014459500000000, -0.0000604600000000 ] - [ 0.0022849800000000, -0.0011748700000000, -0.0001270500000000 ] - [ -0.0022027900000000, 0.0014459500000000, 0.0000604600000000 ] - [ 0.0016256200000000, 0.0001005000000000, 0.0000000000000000 ] - [ -0.0013473000000000, 0.0000976800000000, 0.0000000000000000 ] - [ 0.0013037200000000, 0.0001009100000000, 0.0000000000000000 ] - [ -0.0012247800000000, 0.0000982000000000, 0.0000000000000000 ] - [ -0.0002676600000000, -0.0045566700000000, 0.0036348000000000 ] - [ -0.0002623300000000, 0.0043736400000000, -0.0036531700000000 ] - [ -0.0002676600000000, -0.0045566700000000, -0.0036348000000000 ] - [ -0.0002623300000000, 0.0043736400000000, 0.0036531700000000 ] - [ 0.0163324700000000, 0.0207471100000000, 0.0229975100000000 ] - [ 0.0022225900000000, -0.0005237700000000, -0.0002871700000000 ] - [ -0.0016323400000000, -0.0008274900000000, -0.0043064500000000 ] - [ 0.0015722400000000, 0.0005177100000000, 0.0009985200000000 ] - [ 0.0162820300000000, -0.0205966600000000, -0.0228937900000000 ] - [ 0.0022185700000000, 0.0005344000000000, 0.0002955000000000 ] - [ -0.0016267600000000, 0.0008234300000000, 0.0043019100000000 ] - [ 0.0015719100000000, -0.0005151800000000, -0.0009986300000000 ] - [ 0.0162820300000000, -0.0205966600000000, 0.0228937900000000 ] - [ 0.0022185700000000, 0.0005344000000000, -0.0002955000000000 ] - [ -0.0016267600000000, 0.0008234300000000, -0.0043019100000000 ] - [ 0.0015719100000000, -0.0005151800000000, 0.0009986300000000 ] - [ 0.0163324700000000, 0.0207471100000000, -0.0229975100000000 ] - [ 0.0022225900000000, -0.0005237700000000, 0.0002871700000000 ] - [ -0.0016323400000000, -0.0008274900000000, 0.0043064500000000 ] - [ 0.0015722400000000, 0.0005177100000000, -0.0009985200000000 ] - [ 0.0381204200000000, -0.0187298500000000, 0.0000000000000000 ] - [ 0.0076161700000000, -0.0020568000000000, 0.0000000000000000 ] - [ -0.0005595900000000, -0.0006580400000000, 0.0000000000000000 ] - [ 0.0010875000000000, -0.0005055600000000, 0.0000000000000000 ] - [ -0.0050234900000000, -0.0051510900000000, -0.0017584200000000 ] - [ 0.0026892700000000, 0.0018469900000000, 0.0001271000000000 ] - [ -0.0050234900000000, -0.0051510900000000, 0.0017584200000000 ] - [ 0.0026892700000000, 0.0018469900000000, -0.0001271000000000 ] - [ 0.0377723000000000, 0.0183168900000000, 0.0000000000000000 ] - [ 0.0078802200000000, 0.0018848700000000, 0.0000000000000000 ] - [ -0.0003220100000000, 0.0004806400000000, 0.0000000000000000 ] - [ 0.0013117200000000, 0.0003227700000000, 0.0000000000000000 ] - [ -0.0048015300000000, 0.0053369000000000, 0.0017593500000000 ] - [ 0.0029154800000000, -0.0016591500000000, -0.0001276100000000 ] - [ -0.0048015300000000, 0.0053369000000000, -0.0017593500000000 ] - [ 0.0029154800000000, -0.0016591500000000, 0.0001276100000000 ] - [ -0.6205783400000000, -0.0046095000000000, 0.0000000000000000 ] - [ 0.0065601100000000, 0.0005004700000000, 0.0000000000000000 ] - [ -0.0058965500000000, 0.0004934900000000, 0.0000000000000000 ] - [ 0.0034890700000000, 0.0004947400000000, 0.0000000000000000 ] - [ 0.0048939800000000, -0.0025769100000000, -0.0026427800000000 ] - [ 0.0048889600000000, 0.0015841600000000, 0.0026430900000000 ] - [ 0.0048939800000000, -0.0025769100000000, 0.0026427800000000 ] - [ 0.0048889600000000, 0.0015841600000000, -0.0026430900000000 ] - [ 0.0019538400000000, 0.0050237500000000, 0.0042977100000000 ] - [ 0.0019604000000000, -0.0050518500000000, -0.0043217100000000 ] - [ 0.0002104300000000, 0.0005048000000000, -0.0007200200000000 ] - [ 0.0002064200000000, -0.0005023000000000, 0.0007256100000000 ] - [ 0.0019538400000000, 0.0050237500000000, -0.0042977100000000 ] - [ 0.0019604000000000, -0.0050518500000000, 0.0043217100000000 ] - [ 0.0002104300000000, 0.0005048000000000, 0.0007200200000000 ] - [ 0.0002064200000000, -0.0005023000000000, -0.0007256100000000 ] - [ -0.0003887400000000, 0.0003554700000000, 0.0000769300000000 ] - [ 0.0003885800000000, -0.0003295600000000, -0.0000806100000000 ] - [ -0.0003650200000000, 0.0003666600000000, 0.0001739800000000 ] - [ 0.0003599100000000, -0.0003548500000000, -0.0001609900000000 ] - [ -0.0003907700000000, -0.0003555800000000, -0.0000775000000000 ] - [ 0.0003888100000000, 0.0003270000000000, 0.0000801300000000 ] - [ -0.0003666900000000, -0.0003673500000000, -0.0001732700000000 ] - [ 0.0003607200000000, 0.0003525000000000, 0.0001583900000000 ] - [ -0.0003907700000000, -0.0003555800000000, 0.0000775000000000 ] - [ 0.0003888100000000, 0.0003270000000000, -0.0000801300000000 ] - [ -0.0003666900000000, -0.0003673500000000, 0.0001732700000000 ] - [ 0.0003607200000000, 0.0003525000000000, -0.0001583900000000 ] - [ -0.0003887400000000, 0.0003554700000000, -0.0000769300000000 ] - [ 0.0003885800000000, -0.0003295600000000, 0.0000806100000000 ] - [ -0.0003650200000000, 0.0003666600000000, -0.0001739800000000 ] - [ 0.0003599100000000, -0.0003548500000000, 0.0001609900000000 ] - [ -0.0008380000000000, 0.0002711000000000, 0.0000000000000000 ] - [ 0.0005492900000000, -0.0004522700000000, 0.0000000000000000 ] - [ -0.0007762100000000, 0.0002985900000000, 0.0000000000000000 ] - [ 0.0005010900000000, -0.0004504000000000, 0.0000000000000000 ] - [ -0.0015227300000000, -0.0018404300000000, 0.0004875400000000 ] - [ 0.0014833600000000, 0.0020410700000000, -0.0004992300000000 ] - [ -0.0015227300000000, -0.0018404300000000, -0.0004875400000000 ] - [ 0.0014833600000000, 0.0020410700000000, 0.0004992300000000 ] - [ -0.0006144200000000, -0.0004584300000000, 0.0000000000000000 ] - [ 0.0007748700000000, 0.0002689100000000, 0.0000000000000000 ] - [ -0.0005532200000000, -0.0004851100000000, 0.0000000000000000 ] - [ 0.0007270500000000, 0.0002682500000000, 0.0000000000000000 ] - [ -0.0012902200000000, 0.0020198900000000, -0.0004860800000000 ] - [ 0.0017091600000000, -0.0018645300000000, 0.0005019100000000 ] - [ -0.0012902200000000, 0.0020198900000000, 0.0004860800000000 ] - [ 0.0017091600000000, -0.0018645300000000, -0.0005019100000000 ] - [ 0.0000357000000000, 0.0005155400000000, 0.0000000000000000 ] - [ 0.0000331300000000, 0.0004793400000000, 0.0000000000000000 ] - [ 0.0000167900000000, 0.0005199200000000, 0.0000000000000000 ] - [ 0.0000166600000000, 0.0004735500000000, 0.0000000000000000 ] - [ -0.0018652600000000, -0.0004955600000000, -0.0000005900000000 ] - [ 0.0017615200000000, -0.0004981700000000, 0.0000004800000000 ] - [ -0.0018652600000000, -0.0004955600000000, 0.0000005900000000 ] - [ 0.0017615200000000, -0.0004981700000000, -0.0000004800000000 ] - [ -0.0013566900000000, -0.0000014500000000, 0.0000006600000000 ] - [ 0.0007319400000000, -0.0000007900000000, -0.0000008200000000 ] - [ -0.0013571000000000, -0.0000000400000000, -0.0000000400000000 ] - [ 0.0007064100000000, -0.0000005500000000, -0.0000010400000000 ] - [ -0.0013566900000000, -0.0000014500000000, -0.0000006600000000 ] - [ 0.0007319400000000, -0.0000007900000000, 0.0000008200000000 ] - [ -0.0013571000000000, -0.0000000400000000, 0.0000000400000000 ] - [ 0.0007064100000000, -0.0000005500000000, 0.0000010400000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0616916100000000, 0.0464552700000000, 0.0000000000000000 ] - [ -0.0005072000000000, 0.0024756800000000, 0.0000000000000000 ] - [ 0.0002256200000000, 0.0025240200000000, 0.0000000000000000 ] - [ -0.0000419600000000, 0.0008314300000000, 0.0000000000000000 ] - [ 0.0008143800000000, -0.0025067500000000, -0.0052854800000000 ] - [ -0.0018479100000000, 0.0010363100000000, 0.0002347900000000 ] - [ 0.0008143800000000, -0.0025067500000000, 0.0052854800000000 ] - [ -0.0018479100000000, 0.0010363100000000, -0.0002347900000000 ] - [ -0.0616916100000000, 0.0464552700000000, 0.0000000000000000 ] - [ 0.0005072000000000, 0.0024756800000000, 0.0000000000000000 ] - [ -0.0002256200000000, 0.0025240200000000, 0.0000000000000000 ] - [ 0.0000419600000000, 0.0008314300000000, 0.0000000000000000 ] - [ -0.0008143800000000, -0.0025067500000000, -0.0052854800000000 ] - [ 0.0018479100000000, 0.0010363100000000, 0.0002347900000000 ] - [ -0.0008143800000000, -0.0025067500000000, 0.0052854800000000 ] - [ 0.0018479100000000, 0.0010363100000000, -0.0002347900000000 ] - [ -0.0050996100000000, -0.0027926600000000, 0.0000000000000000 ] - [ 0.0050996100000000, -0.0027926600000000, 0.0000000000000000 ] - [ -0.0000058700000000, 0.0016264400000000, 0.0000000000000000 ] - [ 0.0000058700000000, 0.0016264400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0020156000000000, -0.0005322200000000 ] - [ 0.0000000000000000, -0.0006734400000000, -0.0000041000000000 ] - [ 0.0000000000000000, -0.0020156000000000, 0.0005322200000000 ] - [ 0.0000000000000000, -0.0006734400000000, 0.0000041000000000 ] - [ 0.0001793400000000, -0.0015602500000000, 0.0000000000000000 ] - [ 0.0000489300000000, -0.0009033300000000, 0.0000000000000000 ] - [ 0.0001631100000000, -0.0013504500000000, 0.0000000000000000 ] - [ 0.0000315300000000, -0.0008534400000000, 0.0000000000000000 ] - [ 0.0002083600000000, -0.0010433900000000, 0.0002040700000000 ] - [ -0.0001756200000000, -0.0004708000000000, 0.0000385300000000 ] - [ 0.0002083600000000, -0.0010433900000000, -0.0002040700000000 ] - [ -0.0001756200000000, -0.0004708000000000, -0.0000385300000000 ] - [ -0.0001793400000000, -0.0015602500000000, 0.0000000000000000 ] - [ -0.0000489300000000, -0.0009033300000000, 0.0000000000000000 ] - [ -0.0001631100000000, -0.0013504500000000, 0.0000000000000000 ] - [ -0.0000315300000000, -0.0008534400000000, 0.0000000000000000 ] - [ -0.0002083600000000, -0.0010433900000000, 0.0002040700000000 ] - [ 0.0001756200000000, -0.0004708000000000, 0.0000385300000000 ] - [ -0.0002083600000000, -0.0010433900000000, -0.0002040700000000 ] - [ 0.0001756200000000, -0.0004708000000000, -0.0000385300000000 ] - [ 0.0000000000000000, -0.0019233800000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006185400000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0015465700000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0006066700000000, 0.0000000000000000 ] - [ -0.0006273400000000, -0.0008406900000000, 0.0014291700000000 ] - [ 0.0006273400000000, -0.0008406900000000, 0.0014291700000000 ] - [ -0.0006273400000000, -0.0008406900000000, -0.0014291700000000 ] - [ 0.0006273400000000, -0.0008406900000000, -0.0014291700000000 ] - [ 0.0111075900000000, 0.0011474000000000, 0.0085538700000000 ] - [ -0.0003969900000000, -0.0008755400000000, -0.0006670900000000 ] - [ -0.0002104100000000, -0.0009853300000000, -0.0015522400000000 ] - [ -0.0003093400000000, -0.0004857500000000, -0.0002885600000000 ] - [ -0.0111075900000000, 0.0011474000000000, 0.0085538700000000 ] - [ 0.0003969900000000, -0.0008755400000000, -0.0006670900000000 ] - [ 0.0002104100000000, -0.0009853300000000, -0.0015522400000000 ] - [ 0.0003093400000000, -0.0004857500000000, -0.0002885600000000 ] - [ -0.0111075900000000, 0.0011474000000000, -0.0085538700000000 ] - [ 0.0003969900000000, -0.0008755400000000, 0.0006670900000000 ] - [ 0.0002104100000000, -0.0009853300000000, 0.0015522400000000 ] - [ 0.0003093400000000, -0.0004857500000000, 0.0002885600000000 ] - [ 0.0111075900000000, 0.0011474000000000, -0.0085538700000000 ] - [ -0.0003969900000000, -0.0008755400000000, 0.0006670900000000 ] - [ -0.0002104100000000, -0.0009853300000000, 0.0015522400000000 ] - [ -0.0003093400000000, -0.0004857500000000, 0.0002885600000000 ] - [ -0.0166401000000000, 0.0007205600000000, 0.0000000000000000 ] - [ 0.0025801700000000, -0.0014900800000000, 0.0000000000000000 ] - [ 0.0003725400000000, -0.0013648100000000, 0.0000000000000000 ] - [ 0.0002449500000000, -0.0008245600000000, 0.0000000000000000 ] - [ 0.0000598600000000, 0.0010051800000000, 0.0006002500000000 ] - [ 0.0002795200000000, 0.0002377800000000, -0.0000454600000000 ] - [ 0.0000598600000000, 0.0010051800000000, -0.0006002500000000 ] - [ 0.0002795200000000, 0.0002377800000000, 0.0000454600000000 ] - [ 0.0166401000000000, 0.0007205600000000, 0.0000000000000000 ] - [ -0.0025801700000000, -0.0014900800000000, 0.0000000000000000 ] - [ -0.0003725400000000, -0.0013648100000000, 0.0000000000000000 ] - [ -0.0002449500000000, -0.0008245600000000, 0.0000000000000000 ] - [ -0.0000598600000000, 0.0010051800000000, 0.0006002500000000 ] - [ -0.0002795200000000, 0.0002377800000000, -0.0000454600000000 ] - [ -0.0000598600000000, 0.0010051800000000, -0.0006002500000000 ] - [ -0.0002795200000000, 0.0002377800000000, 0.0000454600000000 ] - [ 0.0000000000000000, -0.0884372200000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0002127600000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0004469700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0001706600000000, 0.0000000000000000 ] - [ -0.0020831800000000, 0.0000406800000000, 0.0008166200000000 ] - [ 0.0020831800000000, 0.0000406800000000, 0.0008166200000000 ] - [ -0.0020831800000000, 0.0000406800000000, -0.0008166200000000 ] - [ 0.0020831800000000, 0.0000406800000000, -0.0008166200000000 ] - [ 0.0007831200000000, 0.0010267200000000, 0.0011138300000000 ] - [ -0.0007831200000000, 0.0010267200000000, 0.0011138300000000 ] - [ 0.0001156600000000, -0.0004294000000000, -0.0006399500000000 ] - [ -0.0001156600000000, -0.0004294000000000, -0.0006399500000000 ] - [ 0.0007831200000000, 0.0010267200000000, -0.0011138300000000 ] - [ -0.0007831200000000, 0.0010267200000000, -0.0011138300000000 ] - [ 0.0001156600000000, -0.0004294000000000, 0.0006399500000000 ] - [ -0.0001156600000000, -0.0004294000000000, 0.0006399500000000 ] - [ 0.0000925000000000, 0.0006170000000000, 0.0003029900000000 ] - [ 0.0000093800000000, 0.0003240900000000, 0.0001733700000000 ] - [ 0.0000856400000000, 0.0005594200000000, 0.0003715700000000 ] - [ 0.0000162800000000, 0.0003242100000000, 0.0002033800000000 ] - [ -0.0000925000000000, 0.0006170000000000, 0.0003029900000000 ] - [ -0.0000093800000000, 0.0003240900000000, 0.0001733700000000 ] - [ -0.0000856400000000, 0.0005594200000000, 0.0003715700000000 ] - [ -0.0000162800000000, 0.0003242100000000, 0.0002033800000000 ] - [ -0.0000925000000000, 0.0006170000000000, -0.0003029900000000 ] - [ -0.0000093800000000, 0.0003240900000000, -0.0001733700000000 ] - [ -0.0000856400000000, 0.0005594200000000, -0.0003715700000000 ] - [ -0.0000162800000000, 0.0003242100000000, -0.0002033800000000 ] - [ 0.0000925000000000, 0.0006170000000000, -0.0003029900000000 ] - [ 0.0000093800000000, 0.0003240900000000, -0.0001733700000000 ] - [ 0.0000856400000000, 0.0005594200000000, -0.0003715700000000 ] - [ 0.0000162800000000, 0.0003242100000000, -0.0002033800000000 ] - [ -0.0006308100000000, 0.0008950300000000, 0.0000000000000000 ] - [ -0.0002968700000000, 0.0003446400000000, 0.0000000000000000 ] - [ -0.0005668100000000, 0.0007694400000000, 0.0000000000000000 ] - [ -0.0002938600000000, 0.0003324600000000, 0.0000000000000000 ] - [ -0.0001453400000000, 0.0006804000000000, -0.0002771300000000 ] - [ 0.0003199400000000, 0.0005913300000000, -0.0001888400000000 ] - [ -0.0001453400000000, 0.0006804000000000, 0.0002771300000000 ] - [ 0.0003199400000000, 0.0005913300000000, 0.0001888400000000 ] - [ 0.0006308100000000, 0.0008950300000000, 0.0000000000000000 ] - [ 0.0002968700000000, 0.0003446400000000, 0.0000000000000000 ] - [ 0.0005668100000000, 0.0007694400000000, 0.0000000000000000 ] - [ 0.0002938600000000, 0.0003324600000000, 0.0000000000000000 ] - [ 0.0001453400000000, 0.0006804000000000, -0.0002771300000000 ] - [ -0.0003199400000000, 0.0005913300000000, -0.0001888400000000 ] - [ 0.0001453400000000, 0.0006804000000000, 0.0002771300000000 ] - [ -0.0003199400000000, 0.0005913300000000, 0.0001888400000000 ] - [ -0.0000187500000000, 0.0008164000000000, 0.0000000000000000 ] - [ 0.0000187500000000, 0.0008164000000000, 0.0000000000000000 ] - [ -0.0000229300000000, 0.0007808500000000, 0.0000000000000000 ] - [ 0.0000229300000000, 0.0007808500000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0000166700000000, -0.0001399100000000 ] - [ 0.0000000000000000, -0.0003308700000000, -0.0000162300000000 ] - [ 0.0000000000000000, 0.0000166700000000, 0.0001399100000000 ] - [ 0.0000000000000000, -0.0003308700000000, 0.0000162300000000 ] - [ 0.0000000000000000, 0.0009707300000000, 0.0003851700000000 ] - [ 0.0000000000000000, 0.0003207000000000, 0.0001907600000000 ] - [ 0.0000000000000000, 0.0008682000000000, 0.0006091600000000 ] - [ 0.0000000000000000, 0.0003159700000000, 0.0001859800000000 ] - [ 0.0000000000000000, 0.0009707300000000, -0.0003851700000000 ] - [ 0.0000000000000000, 0.0003207000000000, -0.0001907600000000 ] - [ 0.0000000000000000, 0.0008682000000000, -0.0006091600000000 ] - [ 0.0000000000000000, 0.0003159700000000, -0.0001859800000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0615342800000000, -0.0475634400000000, 0.0000000000000000 ] - [ 0.0005245500000000, -0.0028593300000000, 0.0000000000000000 ] - [ -0.0002135900000000, -0.0029196600000000, 0.0000000000000000 ] - [ 0.0000509000000000, -0.0012274200000000, 0.0000000000000000 ] - [ -0.0007995800000000, 0.0029016600000000, 0.0052933800000000 ] - [ 0.0018601600000000, -0.0006417100000000, -0.0002352800000000 ] - [ -0.0007995800000000, 0.0029016600000000, -0.0052933800000000 ] - [ 0.0018601600000000, -0.0006417100000000, 0.0002352800000000 ] - [ 0.0615342800000000, -0.0475634400000000, 0.0000000000000000 ] - [ -0.0005245500000000, -0.0028593300000000, 0.0000000000000000 ] - [ 0.0002135900000000, -0.0029196600000000, 0.0000000000000000 ] - [ -0.0000509000000000, -0.0012274200000000, 0.0000000000000000 ] - [ 0.0007995800000000, 0.0029016600000000, 0.0052933800000000 ] - [ -0.0018601600000000, -0.0006417100000000, -0.0002352800000000 ] - [ 0.0007995800000000, 0.0029016600000000, -0.0052933800000000 ] - [ -0.0018601600000000, -0.0006417100000000, 0.0002352800000000 ] - [ 0.0050708100000000, 0.0029558900000000, 0.0000000000000000 ] - [ -0.0050708100000000, 0.0029558900000000, 0.0000000000000000 ] - [ 0.0000095100000000, -0.0014289400000000, 0.0000000000000000 ] - [ -0.0000095100000000, -0.0014289400000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0018192000000000, 0.0005275300000000 ] - [ 0.0000000000000000, 0.0004738900000000, 0.0000034000000000 ] - [ 0.0000000000000000, 0.0018192000000000, -0.0005275300000000 ] - [ 0.0000000000000000, 0.0004738900000000, -0.0000034000000000 ] - [ -0.0001633500000000, 0.0011654100000000, 0.0000000000000000 ] - [ -0.0000378200000000, 0.0005084200000000, 0.0000000000000000 ] - [ -0.0001476700000000, 0.0009521200000000, 0.0000000000000000 ] - [ -0.0000214000000000, 0.0004603700000000, 0.0000000000000000 ] - [ -0.0001977100000000, 0.0014390900000000, -0.0002058900000000 ] - [ 0.0001899500000000, 0.0008626400000000, -0.0000373800000000 ] - [ -0.0001977100000000, 0.0014390900000000, 0.0002058900000000 ] - [ 0.0001899500000000, 0.0008626400000000, 0.0000373800000000 ] - [ 0.0001633500000000, 0.0011654100000000, 0.0000000000000000 ] - [ 0.0000378200000000, 0.0005084200000000, 0.0000000000000000 ] - [ 0.0001476700000000, 0.0009521200000000, 0.0000000000000000 ] - [ 0.0000214000000000, 0.0004603700000000, 0.0000000000000000 ] - [ 0.0001977100000000, 0.0014390900000000, -0.0002058900000000 ] - [ -0.0001899500000000, 0.0008626400000000, -0.0000373800000000 ] - [ 0.0001977100000000, 0.0014390900000000, 0.0002058900000000 ] - [ -0.0001899500000000, 0.0008626400000000, 0.0000373800000000 ] - [ 0.0000000000000000, 0.0021137300000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008141000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0017417900000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008026400000000, 0.0000000000000000 ] - [ 0.0006325100000000, 0.0006422100000000, -0.0014246100000000 ] - [ -0.0006325100000000, 0.0006422100000000, -0.0014246100000000 ] - [ 0.0006325100000000, 0.0006422100000000, 0.0014246100000000 ] - [ -0.0006325100000000, 0.0006422100000000, 0.0014246100000000 ] - [ -0.0109924200000000, -0.0011588700000000, -0.0084715900000000 ] - [ 0.0003990700000000, 0.0008757700000000, 0.0006662600000000 ] - [ 0.0002095900000000, 0.0009828500000000, 0.0015492200000000 ] - [ 0.0003076100000000, 0.0004866500000000, 0.0002902400000000 ] - [ 0.0109924200000000, -0.0011588700000000, -0.0084715900000000 ] - [ -0.0003990700000000, 0.0008757700000000, 0.0006662600000000 ] - [ -0.0002095900000000, 0.0009828500000000, 0.0015492200000000 ] - [ -0.0003076100000000, 0.0004866500000000, 0.0002902400000000 ] - [ 0.0109924200000000, -0.0011588700000000, 0.0084715900000000 ] - [ -0.0003990700000000, 0.0008757700000000, -0.0006662600000000 ] - [ -0.0002095900000000, 0.0009828500000000, -0.0015492200000000 ] - [ -0.0003076100000000, 0.0004866500000000, -0.0002902400000000 ] - [ -0.0109924200000000, -0.0011588700000000, 0.0084715900000000 ] - [ 0.0003990700000000, 0.0008757700000000, -0.0006662600000000 ] - [ 0.0002095900000000, 0.0009828500000000, -0.0015492200000000 ] - [ 0.0003076100000000, 0.0004866500000000, -0.0002902400000000 ] - [ 0.0164478000000000, -0.0008861900000000, 0.0000000000000000 ] - [ -0.0027861200000000, 0.0013103000000000, 0.0000000000000000 ] - [ -0.0005915400000000, 0.0011852700000000, 0.0000000000000000 ] - [ -0.0004620500000000, 0.0006472600000000, 0.0000000000000000 ] - [ -0.0002795700000000, -0.0008311400000000, -0.0005996300000000 ] - [ -0.0004957200000000, -0.0000592700000000, 0.0000436000000000 ] - [ -0.0002795700000000, -0.0008311400000000, 0.0005996300000000 ] - [ -0.0004957200000000, -0.0000592700000000, -0.0000436000000000 ] - [ -0.0164478000000000, -0.0008861900000000, 0.0000000000000000 ] - [ 0.0027861200000000, 0.0013103000000000, 0.0000000000000000 ] - [ 0.0005915400000000, 0.0011852700000000, 0.0000000000000000 ] - [ 0.0004620500000000, 0.0006472600000000, 0.0000000000000000 ] - [ 0.0002795700000000, -0.0008311400000000, -0.0005996300000000 ] - [ 0.0004957200000000, -0.0000592700000000, 0.0000436000000000 ] - [ 0.0002795700000000, -0.0008311400000000, 0.0005996300000000 ] - [ 0.0004957200000000, -0.0000592700000000, -0.0000436000000000 ] - [ 0.0000000000000000, 0.0909778000000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0012169700000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0014393100000000, 0.0000000000000000 ] - [ 0.0000000000000000, 0.0008221800000000, 0.0000000000000000 ] - [ 0.0020789200000000, -0.0010374300000000, -0.0008180100000000 ] - [ -0.0020789200000000, -0.0010374300000000, -0.0008180100000000 ] - [ 0.0020789200000000, -0.0010374300000000, 0.0008180100000000 ] - [ -0.0020789200000000, -0.0010374300000000, 0.0008180100000000 ] - [ -0.0007818500000000, -0.0010212200000000, -0.0011073800000000 ] - [ 0.0007818500000000, -0.0010212200000000, -0.0011073800000000 ] - [ -0.0001147100000000, 0.0004286700000000, 0.0006382800000000 ] - [ 0.0001147100000000, 0.0004286700000000, 0.0006382800000000 ] - [ -0.0007818500000000, -0.0010212200000000, 0.0011073800000000 ] - [ 0.0007818500000000, -0.0010212200000000, 0.0011073800000000 ] - [ -0.0001147100000000, 0.0004286700000000, -0.0006382800000000 ] - [ 0.0001147100000000, 0.0004286700000000, -0.0006382800000000 ] - [ -0.0000928000000000, -0.0006168400000000, -0.0003030500000000 ] - [ -0.0000090600000000, -0.0003251300000000, -0.0001725900000000 ] - [ -0.0000862600000000, -0.0005601300000000, -0.0003714000000000 ] - [ -0.0000167900000000, -0.0003250700000000, -0.0002047500000000 ] - [ 0.0000928000000000, -0.0006168400000000, -0.0003030500000000 ] - [ 0.0000090600000000, -0.0003251300000000, -0.0001725900000000 ] - [ 0.0000862600000000, -0.0005601300000000, -0.0003714000000000 ] - [ 0.0000167900000000, -0.0003250700000000, -0.0002047500000000 ] - [ 0.0000928000000000, -0.0006168400000000, 0.0003030500000000 ] - [ 0.0000090600000000, -0.0003251300000000, 0.0001725900000000 ] - [ 0.0000862600000000, -0.0005601300000000, 0.0003714000000000 ] - [ 0.0000167900000000, -0.0003250700000000, 0.0002047500000000 ] - [ -0.0000928000000000, -0.0006168400000000, 0.0003030500000000 ] - [ -0.0000090600000000, -0.0003251300000000, 0.0001725900000000 ] - [ -0.0000862600000000, -0.0005601300000000, 0.0003714000000000 ] - [ -0.0000167900000000, -0.0003250700000000, 0.0002047500000000 ] - [ 0.0004129500000000, -0.0010715300000000, 0.0000000000000000 ] - [ 0.0000808600000000, -0.0005216900000000, 0.0000000000000000 ] - [ 0.0003480400000000, -0.0009481200000000, 0.0000000000000000 ] - [ 0.0000764200000000, -0.0005063400000000, 0.0000000000000000 ] - [ -0.0000702200000000, -0.0005012100000000, 0.0002763500000000 ] - [ -0.0005356800000000, -0.0004153700000000, 0.0001879500000000 ] - [ -0.0000702200000000, -0.0005012100000000, -0.0002763500000000 ] - [ -0.0005356800000000, -0.0004153700000000, -0.0001879500000000 ] - [ -0.0004129500000000, -0.0010715300000000, 0.0000000000000000 ] - [ -0.0000808600000000, -0.0005216900000000, 0.0000000000000000 ] - [ -0.0003480400000000, -0.0009481200000000, 0.0000000000000000 ] - [ -0.0000764200000000, -0.0005063400000000, 0.0000000000000000 ] - [ 0.0000702200000000, -0.0005012100000000, 0.0002763500000000 ] - [ 0.0005356800000000, -0.0004153700000000, 0.0001879500000000 ] - [ 0.0000702200000000, -0.0005012100000000, -0.0002763500000000 ] - [ 0.0005356800000000, -0.0004153700000000, -0.0001879500000000 ] - [ 0.0000177200000000, 0.0001814500000000, 0.0000000000000000 ] - [ -0.0000177200000000, 0.0001814500000000, 0.0000000000000000 ] - [ 0.0000193200000000, 0.0002144300000000, 0.0000000000000000 ] - [ -0.0000193200000000, 0.0002144300000000, 0.0000000000000000 ] - [ 0.0000000000000000, -0.0010134900000000, 0.0001393900000000 ] - [ 0.0000000000000000, -0.0006692100000000, 0.0000174500000000 ] - [ 0.0000000000000000, -0.0010134900000000, -0.0001393900000000 ] - [ 0.0000000000000000, -0.0006692100000000, -0.0000174500000000 ] - [ 0.0000000000000000, -0.0009685200000000, -0.0003836300000000 ] - [ 0.0000000000000000, -0.0003229500000000, -0.0001916100000000 ] - [ 0.0000000000000000, -0.0008653600000000, -0.0006066900000000 ] - [ 0.0000000000000000, -0.0003184400000000, -0.0001890500000000 ] - [ 0.0000000000000000, -0.0009685200000000, 0.0003836300000000 ] - [ 0.0000000000000000, -0.0003229500000000, 0.0001916100000000 ] - [ 0.0000000000000000, -0.0008653600000000, 0.0006066900000000 ] - [ 0.0000000000000000, -0.0003184400000000, 0.0001890500000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0006408700000000, -0.0004137300000000, 0.0296266200000000 ] - [ 0.0000093700000000, -0.0001929000000000, 0.0011715000000000 ] - [ 0.0000034700000000, -0.0002009100000000, -0.0045678100000000 ] - [ 0.0000059500000000, -0.0001989700000000, -0.0010176700000000 ] - [ 0.0013519200000000, -0.0039604700000000, -0.0074087400000000 ] - [ -0.0020977000000000, 0.0007872700000000, -0.0000326000000000 ] - [ -0.0013315000000000, 0.0043612700000000, -0.0074251500000000 ] - [ 0.0021145800000000, -0.0003936200000000, -0.0000322100000000 ] - [ 0.0006408700000000, -0.0004137300000000, 0.0296266200000000 ] - [ -0.0000093700000000, -0.0001929000000000, 0.0011715000000000 ] - [ -0.0000034700000000, -0.0002009100000000, -0.0045678100000000 ] - [ -0.0000059500000000, -0.0001989700000000, -0.0010176700000000 ] - [ -0.0013519200000000, -0.0039604700000000, -0.0074087400000000 ] - [ 0.0020977000000000, 0.0007872700000000, -0.0000326000000000 ] - [ 0.0013315000000000, 0.0043612700000000, -0.0074251500000000 ] - [ -0.0021145800000000, -0.0003936200000000, -0.0000322100000000 ] - [ -0.0000117300000000, 0.0000842100000000, 0.0001415700000000 ] - [ 0.0000117300000000, 0.0000842100000000, 0.0001415700000000 ] - [ 0.0000032900000000, 0.0000996200000000, -0.0006245900000000 ] - [ -0.0000032900000000, 0.0000996200000000, -0.0006245900000000 ] - [ 0.0000000000000000, -0.0026284700000000, -0.0000667200000000 ] - [ 0.0000000000000000, -0.0006858900000000, -0.0000076400000000 ] - [ 0.0000000000000000, 0.0024338100000000, -0.0000667000000000 ] - [ 0.0000000000000000, 0.0004871200000000, -0.0000070600000000 ] - [ 0.0000092900000000, -0.0001962000000000, 0.0002024900000000 ] - [ 0.0000077500000000, -0.0001965300000000, 0.0000865600000000 ] - [ 0.0000088400000000, -0.0001980500000000, -0.0002017100000000 ] - [ 0.0000068600000000, -0.0001961600000000, -0.0000860000000000 ] - [ -0.0000700200000000, 0.0004617000000000, -0.0000093000000000 ] - [ 0.0000425100000000, 0.0002659600000000, -0.0000012900000000 ] - [ 0.0000837100000000, -0.0000654600000000, -0.0000083600000000 ] - [ -0.0000257800000000, 0.0001270300000000, -0.0000022600000000 ] - [ -0.0000092900000000, -0.0001962000000000, 0.0002024900000000 ] - [ -0.0000077500000000, -0.0001965300000000, 0.0000865600000000 ] - [ -0.0000088400000000, -0.0001980500000000, -0.0002017100000000 ] - [ -0.0000068600000000, -0.0001961600000000, -0.0000860000000000 ] - [ 0.0000700200000000, 0.0004617000000000, -0.0000093000000000 ] - [ -0.0000425100000000, 0.0002659600000000, -0.0000012900000000 ] - [ -0.0000837100000000, -0.0000654600000000, -0.0000083600000000 ] - [ 0.0000257800000000, 0.0001270300000000, -0.0000022600000000 ] - [ 0.0000000000000000, 0.0000974300000000, 0.0014086600000000 ] - [ 0.0000000000000000, 0.0000982500000000, 0.0003941100000000 ] - [ 0.0000000000000000, 0.0000986000000000, -0.0014046800000000 ] - [ 0.0000000000000000, 0.0000986500000000, -0.0003936300000000 ] - [ 0.0003206500000000, 0.0000653000000000, 0.0000194300000000 ] - [ -0.0003206500000000, 0.0000653000000000, 0.0000194300000000 ] - [ -0.0003159100000000, -0.0002608400000000, 0.0000145000000000 ] - [ 0.0003159100000000, -0.0002608400000000, 0.0000145000000000 ] - [ 0.0148005200000000, 0.0107282200000000, 0.0057100500000000 ] - [ -0.0004441300000000, -0.0003522900000000, -0.0006207900000000 ] - [ 0.0000483900000000, 0.0006517300000000, 0.0030664200000000 ] - [ 0.0003900100000000, 0.0004055600000000, 0.0006439300000000 ] - [ -0.0148005200000000, 0.0107282200000000, 0.0057100500000000 ] - [ 0.0004441300000000, -0.0003522900000000, -0.0006207900000000 ] - [ -0.0000483900000000, 0.0006517300000000, 0.0030664200000000 ] - [ -0.0003900100000000, 0.0004055600000000, 0.0006439300000000 ] - [ 0.0146803600000000, -0.0106438700000000, 0.0057146400000000 ] - [ -0.0004461000000000, 0.0003531500000000, -0.0006200800000000 ] - [ 0.0000452200000000, -0.0006494000000000, 0.0030629200000000 ] - [ 0.0003917500000000, -0.0004041600000000, 0.0006420400000000 ] - [ -0.0146803600000000, -0.0106438700000000, 0.0057146400000000 ] - [ 0.0004461000000000, 0.0003531500000000, -0.0006200800000000 ] - [ -0.0000452200000000, -0.0006494000000000, 0.0030629200000000 ] - [ -0.0003917500000000, -0.0004041600000000, 0.0006420400000000 ] - [ -0.0001236900000000, -0.0000814200000000, -0.0052896800000000 ] - [ -0.0001036900000000, -0.0000869000000000, -0.0001589300000000 ] - [ -0.0001079500000000, -0.0000880900000000, 0.0007834100000000 ] - [ -0.0001091900000000, -0.0000862800000000, 0.0002177900000000 ] - [ 0.0004916600000000, 0.0017914800000000, 0.0007118200000000 ] - [ 0.0003458000000000, 0.0003523400000000, -0.0000139500000000 ] - [ -0.0007088600000000, -0.0016200400000000, 0.0007133300000000 ] - [ -0.0005621600000000, -0.0001770100000000, -0.0000121200000000 ] - [ 0.0001236900000000, -0.0000814200000000, -0.0052896800000000 ] - [ 0.0001036900000000, -0.0000869000000000, -0.0001589300000000 ] - [ 0.0001079500000000, -0.0000880900000000, 0.0007834100000000 ] - [ 0.0001091900000000, -0.0000862800000000, 0.0002177900000000 ] - [ -0.0004916600000000, 0.0017914800000000, 0.0007118200000000 ] - [ -0.0003458000000000, 0.0003523400000000, -0.0000139500000000 ] - [ 0.0007088600000000, -0.0016200400000000, 0.0007133300000000 ] - [ 0.0005621600000000, -0.0001770100000000, -0.0000121200000000 ] - [ 0.0000000000000000, 0.0007604000000000, -0.0549556900000000 ] - [ 0.0000000000000000, 0.0005040900000000, -0.0003064200000000 ] - [ 0.0000000000000000, 0.0004990800000000, 0.0015794100000000 ] - [ 0.0000000000000000, 0.0004975100000000, 0.0002822800000000 ] - [ -0.0026439600000000, 0.0003168800000000, 0.0012566500000000 ] - [ 0.0026439600000000, 0.0003168800000000, 0.0012566500000000 ] - [ 0.0026409700000000, -0.0013191800000000, 0.0012579900000000 ] - [ -0.0026409700000000, -0.0013191800000000, 0.0012579900000000 ] - [ 0.0000692500000000, -0.0001574300000000, -0.0003119300000000 ] - [ -0.0000692500000000, -0.0001574300000000, -0.0003119300000000 ] - [ -0.0000888500000000, 0.0000069700000000, 0.0002097800000000 ] - [ 0.0000888500000000, 0.0000069700000000, 0.0002097800000000 ] - [ -0.0000684800000000, 0.0001626900000000, -0.0003183600000000 ] - [ 0.0000684800000000, 0.0001626900000000, -0.0003183600000000 ] - [ 0.0000887900000000, -0.0000075200000000, 0.0002120800000000 ] - [ -0.0000887900000000, -0.0000075200000000, 0.0002120800000000 ] - [ -0.0000290700000000, -0.0000819300000000, -0.0001186600000000 ] - [ -0.0000002200000000, -0.0000257500000000, -0.0000407500000000 ] - [ 0.0000287400000000, 0.0000804500000000, 0.0001183200000000 ] - [ 0.0000000400000000, 0.0000237400000000, 0.0000389100000000 ] - [ 0.0000290700000000, -0.0000819300000000, -0.0001186600000000 ] - [ 0.0000002200000000, -0.0000257500000000, -0.0000407500000000 ] - [ -0.0000287400000000, 0.0000804500000000, 0.0001183200000000 ] - [ -0.0000000400000000, 0.0000237400000000, 0.0000389100000000 ] - [ -0.0000291600000000, 0.0000817600000000, -0.0001180000000000 ] - [ -0.0000007100000000, 0.0000245100000000, -0.0000410000000000 ] - [ 0.0000292100000000, -0.0000816200000000, 0.0001184700000000 ] - [ 0.0000006100000000, -0.0000248700000000, 0.0000406700000000 ] - [ 0.0000291600000000, 0.0000817600000000, -0.0001180000000000 ] - [ 0.0000007100000000, 0.0000245100000000, -0.0000410000000000 ] - [ -0.0000292100000000, -0.0000816200000000, 0.0001184700000000 ] - [ -0.0000006100000000, -0.0000248700000000, 0.0000406700000000 ] - [ -0.0001081800000000, -0.0000866700000000, -0.0002173800000000 ] - [ -0.0001075500000000, -0.0000863400000000, -0.0000701300000000 ] - [ -0.0001089400000000, -0.0000877200000000, 0.0002178300000000 ] - [ -0.0001082900000000, -0.0000848100000000, 0.0000684000000000 ] - [ -0.0000204200000000, -0.0000508500000000, 0.0000103800000000 ] - [ -0.0001808100000000, 0.0000342900000000, -0.0000082100000000 ] - [ -0.0001953700000000, 0.0002250200000000, 0.0000114800000000 ] - [ -0.0000351200000000, 0.0001370800000000, -0.0000073000000000 ] - [ 0.0001081800000000, -0.0000866700000000, -0.0002173800000000 ] - [ 0.0001075500000000, -0.0000863400000000, -0.0000701300000000 ] - [ 0.0001089400000000, -0.0000877200000000, 0.0002178300000000 ] - [ 0.0001082900000000, -0.0000848100000000, 0.0000684000000000 ] - [ 0.0000204200000000, -0.0000508500000000, 0.0000103800000000 ] - [ 0.0001808100000000, 0.0000342900000000, -0.0000082100000000 ] - [ 0.0001953700000000, 0.0002250200000000, 0.0000114800000000 ] - [ 0.0000351200000000, 0.0001370800000000, -0.0000073000000000 ] - [ -0.0000003900000000, 0.0005020000000000, -0.0000518500000000 ] - [ 0.0000003900000000, 0.0005020000000000, -0.0000518500000000 ] - [ -0.0000015100000000, 0.0004996100000000, 0.0000495800000000 ] - [ 0.0000015100000000, 0.0004996100000000, 0.0000495800000000 ] - [ 0.0000000000000000, -0.0006405600000000, 0.0000123400000000 ] - [ 0.0000000000000000, -0.0005191500000000, 0.0000001300000000 ] - [ 0.0000000000000000, -0.0003604600000000, 0.0000130500000000 ] - [ 0.0000000000000000, -0.0004848800000000, -0.0000010000000000 ] - [ 0.0000000000000000, -0.0007956200000000, -0.0008976900000000 ] - [ 0.0000000000000000, -0.0002120100000000, -0.0002488300000000 ] - [ 0.0000000000000000, 0.0008469900000000, 0.0009587100000000 ] - [ 0.0000000000000000, 0.0002069900000000, 0.0002448000000000 ] - [ 0.0000000000000000, 0.0007965300000000, -0.0008997800000000 ] - [ 0.0000000000000000, 0.0002106600000000, -0.0002483800000000 ] - [ 0.0000000000000000, -0.0008443200000000, 0.0009573400000000 ] - [ 0.0000000000000000, -0.0002084200000000, 0.0002478100000000 ]- atom: 89 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0020586300000000, -0.0006606700000000, -0.0000950400000000 ] - [ -0.0036620000000000, 0.0061180200000000, -0.0005557400000000 ] - [ -0.0006071400000000, -0.0002250700000000, 0.0000748200000000 ] - [ 0.0002518000000000, -0.0001807900000000, -0.0002908100000000 ] - [ 0.0014015400000000, -0.0009128100000000, -0.0013720700000000 ] - [ -0.0007558000000000, 0.0004856800000000, 0.0002763800000000 ] - [ 0.0013745500000000, -0.0010527100000000, 0.0011255900000000 ] - [ -0.0007883000000000, 0.0005268100000000, -0.0002793900000000 ] - [ -0.0036712900000000, -0.0064993500000000, 0.0005511700000000 ] - [ -0.0020749500000000, 0.0002649700000000, 0.0000929500000000 ] - [ 0.0002421000000000, -0.0002070300000000, 0.0002946600000000 ] - [ -0.0006227600000000, -0.0001681500000000, -0.0000724700000000 ] - [ -0.0007699800000000, -0.0000910700000000, -0.0002774300000000 ] - [ 0.0013817600000000, 0.0013060400000000, 0.0013686700000000 ] - [ -0.0008095000000000, -0.0001359500000000, 0.0002801600000000 ] - [ 0.0013594000000000, 0.0014459400000000, -0.0011243000000000 ] - [ 0.0279073000000000, -0.0002778600000000, -0.0005601900000000 ] - [ -0.0015492100000000, 0.0000973900000000, -0.0000013900000000 ] - [ 0.0012673700000000, 0.0001215600000000, -0.0000134400000000 ] - [ -0.0008585000000000, 0.0000964800000000, 0.0000001600000000 ] - [ -0.0002482700000000, -0.0001946400000000, -0.0000342700000000 ] - [ -0.0002490200000000, -0.0000016800000000, 0.0000335600000000 ] - [ -0.0002288400000000, -0.0001642000000000, 0.0000355200000000 ] - [ -0.0002288100000000, -0.0000320500000000, -0.0000340600000000 ] - [ 0.0013745500000000, 0.0010527100000000, -0.0011255900000000 ] - [ -0.0007883000000000, -0.0005268100000000, 0.0002793900000000 ] - [ 0.0014015400000000, 0.0009128100000000, 0.0013720700000000 ] - [ -0.0007558000000000, -0.0004856800000000, -0.0002763800000000 ] - [ -0.0006071400000000, 0.0002250700000000, -0.0000748200000000 ] - [ 0.0002518000000000, 0.0001807900000000, 0.0002908100000000 ] - [ -0.0020586300000000, 0.0006606700000000, 0.0000950400000000 ] - [ -0.0036620000000000, -0.0061180200000000, 0.0005557400000000 ] - [ -0.0008095000000000, 0.0001359500000000, -0.0002801600000000 ] - [ 0.0013594000000000, -0.0014459400000000, 0.0011243000000000 ] - [ -0.0007699800000000, 0.0000910700000000, 0.0002774300000000 ] - [ 0.0013817600000000, -0.0013060400000000, -0.0013686700000000 ] - [ 0.0002421000000000, 0.0002070300000000, -0.0002946600000000 ] - [ -0.0006227600000000, 0.0001681500000000, 0.0000724700000000 ] - [ -0.0036712900000000, 0.0064993500000000, -0.0005511700000000 ] - [ -0.0020749500000000, -0.0002649700000000, -0.0000929500000000 ] - [ -0.0002288400000000, 0.0001642000000000, -0.0000355200000000 ] - [ -0.0002288100000000, 0.0000320500000000, 0.0000340600000000 ] - [ -0.0002482700000000, 0.0001946400000000, 0.0000342700000000 ] - [ -0.0002490200000000, 0.0000016800000000, -0.0000335600000000 ] - [ 0.0012673700000000, -0.0001215600000000, 0.0000134400000000 ] - [ -0.0008585000000000, -0.0000964800000000, -0.0000001600000000 ] - [ 0.0279073000000000, 0.0002778600000000, 0.0005601900000000 ] - [ -0.0015492100000000, -0.0000973900000000, 0.0000013900000000 ] - [ 0.0005098500000000, 0.0003284000000000, 0.0004057000000000 ] - [ -0.0000784800000000, -0.0024465700000000, -0.0019954700000000 ] - [ 0.0002326500000000, 0.0000847100000000, -0.0000154700000000 ] - [ -0.0002222200000000, -0.0002044300000000, 0.0002748800000000 ] - [ -0.0000771600000000, 0.0024481700000000, 0.0019977900000000 ] - [ 0.0005085900000000, -0.0003267900000000, -0.0004044300000000 ] - [ -0.0002226000000000, 0.0002029900000000, -0.0002779900000000 ] - [ 0.0002347500000000, -0.0000851000000000, 0.0000144700000000 ] - [ -0.0002337100000000, 0.0017900700000000, -0.0014546900000000 ] - [ 0.0005220600000000, -0.0003460300000000, 0.0003780200000000 ] - [ -0.0002140100000000, 0.0000872700000000, 0.0002156300000000 ] - [ 0.0002218100000000, -0.0000717500000000, 0.0000137200000000 ] - [ 0.0005211900000000, 0.0003462000000000, -0.0003777800000000 ] - [ -0.0002333700000000, -0.0017891100000000, 0.0014551900000000 ] - [ 0.0002225200000000, 0.0000729000000000, -0.0000139300000000 ] - [ -0.0002143900000000, -0.0000901300000000, -0.0002143800000000 ] - [ 0.0008860600000000, -0.0004381200000000, 0.0000325700000000 ] - [ 0.0034117600000000, -0.0153215100000000, -0.0088290200000000 ] - [ 0.0003495200000000, -0.0002750000000000, -0.0000260700000000 ] - [ -0.0008519400000000, 0.0002482200000000, 0.0001790400000000 ] - [ -0.0000968200000000, 0.0004615700000000, 0.0002200000000000 ] - [ 0.0001012600000000, 0.0001087600000000, -0.0000438700000000 ] - [ -0.0001204600000000, 0.0004109800000000, -0.0001695900000000 ] - [ 0.0000982500000000, 0.0001011900000000, 0.0000439500000000 ] - [ 0.0036454300000000, 0.0152527800000000, 0.0089125200000000 ] - [ 0.0011065200000000, 0.0002609900000000, -0.0000330800000000 ] - [ -0.0006394100000000, -0.0004386000000000, -0.0001795100000000 ] - [ 0.0005718100000000, 0.0001010000000000, 0.0000264200000000 ] - [ 0.0003221900000000, 0.0000666000000000, 0.0000438100000000 ] - [ 0.0001217000000000, -0.0002883900000000, -0.0002209700000000 ] - [ 0.0003159000000000, 0.0000743600000000, -0.0000437800000000 ] - [ 0.0000978100000000, -0.0002347500000000, 0.0001694700000000 ] - [ 0.0019576700000000, 0.0012807200000000, 0.0000687300000000 ] - [ 0.0019588800000000, -0.0002817900000000, -0.0000671900000000 ] - [ 0.0002087800000000, 0.0006131200000000, -0.0000893800000000 ] - [ 0.0002108800000000, 0.0003822000000000, 0.0000889900000000 ] - [ -0.0013583100000000, -0.0005016000000000, -0.0000009300000000 ] - [ 0.0007067300000000, -0.0004968300000000, -0.0000000300000000 ] - [ -0.0013564500000000, -0.0004994500000000, -0.0000006900000000 ] - [ 0.0007326200000000, -0.0005025800000000, -0.0000002100000000 ] - [ -0.0480665900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0004846000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002000800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002476700000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0067061600000000, 0.0000010300000000, -0.0000320400000000 ] - [ 0.0003613700000000, 0.0000004100000000, -0.0000008000000000 ] - [ -0.0067061600000000, -0.0000010300000000, 0.0000320400000000 ] - [ 0.0003613700000000, -0.0000004100000000, 0.0000008000000000 ] - [ -0.0002226000000000, -0.0002029900000000, 0.0002779900000000 ] - [ 0.0002347500000000, 0.0000851000000000, -0.0000144700000000 ] - [ -0.0000771600000000, -0.0024481700000000, -0.0019977900000000 ] - [ 0.0005085900000000, 0.0003267900000000, 0.0004044300000000 ] - [ 0.0002326500000000, -0.0000847100000000, 0.0000154700000000 ] - [ -0.0002222200000000, 0.0002044300000000, -0.0002748800000000 ] - [ 0.0005098500000000, -0.0003284000000000, -0.0004057000000000 ] - [ -0.0000784800000000, 0.0024465700000000, 0.0019954700000000 ] - [ 0.0005211900000000, -0.0003462000000000, 0.0003777800000000 ] - [ -0.0002333700000000, 0.0017891100000000, -0.0014551900000000 ] - [ 0.0002225200000000, -0.0000729000000000, 0.0000139300000000 ] - [ -0.0002143900000000, 0.0000901300000000, 0.0002143800000000 ] - [ -0.0002337100000000, -0.0017900700000000, 0.0014546900000000 ] - [ 0.0005220600000000, 0.0003460300000000, -0.0003780200000000 ] - [ -0.0002140100000000, -0.0000872700000000, -0.0002156300000000 ] - [ 0.0002218100000000, 0.0000717500000000, -0.0000137200000000 ] - [ -0.0001204600000000, -0.0004109800000000, 0.0001695900000000 ] - [ 0.0000982500000000, -0.0001011900000000, -0.0000439500000000 ] - [ -0.0000968200000000, -0.0004615700000000, -0.0002200000000000 ] - [ 0.0001012600000000, -0.0001087600000000, 0.0000438700000000 ] - [ 0.0003495200000000, 0.0002750000000000, 0.0000260700000000 ] - [ -0.0008519400000000, -0.0002482200000000, -0.0001790400000000 ] - [ 0.0008860600000000, 0.0004381200000000, -0.0000325700000000 ] - [ 0.0034117600000000, 0.0153215100000000, 0.0088290200000000 ] - [ 0.0003159000000000, -0.0000743600000000, 0.0000437800000000 ] - [ 0.0000978100000000, 0.0002347500000000, -0.0001694700000000 ] - [ 0.0003221900000000, -0.0000666000000000, -0.0000438100000000 ] - [ 0.0001217000000000, 0.0002883900000000, 0.0002209700000000 ] - [ -0.0006394100000000, 0.0004386000000000, 0.0001795100000000 ] - [ 0.0005718100000000, -0.0001010000000000, -0.0000264200000000 ] - [ 0.0036454300000000, -0.0152527800000000, -0.0089125200000000 ] - [ 0.0011065200000000, -0.0002609900000000, 0.0000330800000000 ] - [ -0.0013564500000000, 0.0004994500000000, 0.0000006900000000 ] - [ 0.0007326200000000, 0.0005025800000000, 0.0000002100000000 ] - [ -0.0013583100000000, 0.0005016000000000, 0.0000009300000000 ] - [ 0.0007067300000000, 0.0004968300000000, 0.0000000300000000 ] - [ 0.0002087800000000, -0.0006131200000000, 0.0000893800000000 ] - [ 0.0002108800000000, -0.0003822000000000, -0.0000889900000000 ] - [ 0.0019576700000000, -0.0012807200000000, -0.0000687300000000 ] - [ 0.0019588800000000, 0.0002817900000000, 0.0000671900000000 ] - [ 0.0000575000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000567000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000711900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000713100000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000617700000000, 0.0000009100000000, 0.0000226700000000 ] - [ 0.0000612300000000, -0.0000011200000000, -0.0000237700000000 ] - [ 0.0000617700000000, -0.0000009100000000, -0.0000226700000000 ] - [ 0.0000612300000000, 0.0000011200000000, 0.0000237700000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0037419000000000, -0.0005072300000000, 0.0000107600000000 ] - [ 0.0096973100000000, -0.0127717300000000, 0.0012916500000000 ] - [ -0.0007361400000000, 0.0004992400000000, -0.0000415000000000 ] - [ 0.0001836500000000, 0.0020088900000000, 0.0002129900000000 ] - [ -0.0004271100000000, -0.0027021800000000, -0.0034816300000000 ] - [ 0.0001184700000000, -0.0006926900000000, -0.0007431300000000 ] - [ -0.0007064200000000, -0.0030028700000000, 0.0031991400000000 ] - [ 0.0001173000000000, -0.0007008800000000, 0.0007484300000000 ] - [ -0.0096973100000000, -0.0127717300000000, 0.0012916500000000 ] - [ 0.0037419000000000, -0.0005072300000000, 0.0000107600000000 ] - [ -0.0001836500000000, 0.0020088900000000, 0.0002129900000000 ] - [ 0.0007361400000000, 0.0004992400000000, -0.0000415000000000 ] - [ -0.0001184700000000, -0.0006926900000000, -0.0007431300000000 ] - [ 0.0004271100000000, -0.0027021800000000, -0.0034816300000000 ] - [ -0.0001173000000000, -0.0007008800000000, 0.0007484300000000 ] - [ 0.0007064200000000, -0.0030028700000000, 0.0031991400000000 ] - [ 0.0000000000000000, 0.1106868600000000, 0.1153462200000000 ] - [ 0.0000000000000000, 0.0025819300000000, 0.0003372700000000 ] - [ 0.0000000000000000, 0.0061069000000000, -0.0048977900000000 ] - [ 0.0000000000000000, 0.0017058500000000, -0.0003386100000000 ] - [ -0.0008913500000000, -0.0026557000000000, -0.0001152700000000 ] - [ 0.0008913500000000, -0.0026557000000000, -0.0001152700000000 ] - [ -0.0008470900000000, -0.0027209900000000, 0.0001175800000000 ] - [ 0.0008470900000000, -0.0027209900000000, 0.0001175800000000 ] - [ 0.0007176200000000, -0.0033947900000000, 0.0031885900000000 ] - [ -0.0000965300000000, -0.0010931700000000, 0.0007459200000000 ] - [ 0.0004448100000000, -0.0030948600000000, -0.0034680600000000 ] - [ -0.0001056800000000, -0.0010894700000000, -0.0007401000000000 ] - [ 0.0007545300000000, 0.0008899600000000, -0.0000435300000000 ] - [ -0.0001787800000000, 0.0023822500000000, 0.0002109300000000 ] - [ 0.0037518200000000, -0.0001123900000000, 0.0000123200000000 ] - [ -0.0096675000000000, -0.0123537400000000, 0.0012855400000000 ] - [ 0.0000965300000000, -0.0010931700000000, 0.0007459200000000 ] - [ -0.0007176200000000, -0.0033947900000000, 0.0031885900000000 ] - [ 0.0001056800000000, -0.0010894700000000, -0.0007401000000000 ] - [ -0.0004448100000000, -0.0030948600000000, -0.0034680600000000 ] - [ 0.0001787800000000, 0.0023822500000000, 0.0002109300000000 ] - [ -0.0007545300000000, 0.0008899600000000, -0.0000435300000000 ] - [ 0.0096675000000000, -0.0123537400000000, 0.0012855400000000 ] - [ -0.0037518200000000, -0.0001123900000000, 0.0000123200000000 ] - [ 0.0008462400000000, -0.0025275700000000, 0.0001150500000000 ] - [ -0.0008462400000000, -0.0025275700000000, 0.0001150500000000 ] - [ 0.0008904300000000, -0.0024600700000000, -0.0001144200000000 ] - [ -0.0008904300000000, -0.0024600700000000, -0.0001144200000000 ] - [ 0.0000000000000000, 0.0058313200000000, -0.0048448300000000 ] - [ 0.0000000000000000, 0.0015114000000000, -0.0003381700000000 ] - [ 0.0000000000000000, 0.1085767700000000, 0.1101209100000000 ] - [ 0.0000000000000000, 0.0023831300000000, 0.0003404900000000 ] - [ 0.0007423200000000, 0.0006099000000000, 0.0007649500000000 ] - [ -0.0006650700000000, 0.0045010900000000, 0.0036180800000000 ] - [ 0.0001188600000000, -0.0000390100000000, -0.0002131000000000 ] - [ -0.0003881400000000, -0.0002643300000000, -0.0012599000000000 ] - [ 0.0006650700000000, 0.0045010900000000, 0.0036180800000000 ] - [ -0.0007423200000000, 0.0006099000000000, 0.0007649500000000 ] - [ 0.0003881400000000, -0.0002643300000000, -0.0012599000000000 ] - [ -0.0001188600000000, -0.0000390100000000, -0.0002131000000000 ] - [ 0.0007515100000000, 0.0035668600000000, -0.0029279000000000 ] - [ -0.0007589900000000, 0.0006264900000000, -0.0008007300000000 ] - [ 0.0002913500000000, -0.0004046900000000, 0.0012055700000000 ] - [ -0.0001190400000000, -0.0000379000000000, 0.0002336000000000 ] - [ 0.0007589900000000, 0.0006264900000000, -0.0008007300000000 ] - [ -0.0007515100000000, 0.0035668600000000, -0.0029279000000000 ] - [ 0.0001190400000000, -0.0000379000000000, 0.0002336000000000 ] - [ -0.0002913500000000, -0.0004046900000000, 0.0012055700000000 ] - [ 0.0010310100000000, -0.0012022200000000, -0.0000576800000000 ] - [ -0.0176444000000000, 0.0199195000000000, 0.0145466000000000 ] - [ 0.0003658800000000, -0.0008654400000000, 0.0000611800000000 ] - [ 0.0011258300000000, -0.0024541400000000, 0.0005137900000000 ] - [ 0.0011519000000000, 0.0020933400000000, 0.0005136100000000 ] - [ 0.0000353900000000, 0.0009007200000000, 0.0001170700000000 ] - [ 0.0011516500000000, 0.0020816700000000, -0.0004504100000000 ] - [ 0.0000475700000000, 0.0009180300000000, -0.0001173400000000 ] - [ 0.0176444000000000, 0.0199195000000000, 0.0145466000000000 ] - [ -0.0010310100000000, -0.0012022200000000, -0.0000576800000000 ] - [ -0.0011258300000000, -0.0024541400000000, 0.0005137900000000 ] - [ -0.0003658800000000, -0.0008654400000000, 0.0000611800000000 ] - [ -0.0000353900000000, 0.0009007200000000, 0.0001170700000000 ] - [ -0.0011519000000000, 0.0020933400000000, 0.0005136100000000 ] - [ -0.0000475700000000, 0.0009180300000000, -0.0001173400000000 ] - [ -0.0011516500000000, 0.0020816700000000, -0.0004504100000000 ] - [ 0.0050451600000000, 0.0015244300000000, -0.0001604200000000 ] - [ -0.0050451600000000, 0.0015244300000000, -0.0001604200000000 ] - [ 0.0004996200000000, 0.0000647100000000, 0.0000085400000000 ] - [ -0.0004996200000000, 0.0000647100000000, 0.0000085400000000 ] - [ 0.0000000000000000, 0.0003664200000000, 0.0008455800000000 ] - [ 0.0000000000000000, -0.0001763800000000, 0.0002071600000000 ] - [ 0.0000000000000000, 0.0004713500000000, -0.0007989200000000 ] - [ 0.0000000000000000, -0.0001777000000000, -0.0002128400000000 ] - [ 0.0000000000000000, -0.2592154100000000, -0.3000342800000000 ] - [ 0.0000000000000000, -0.0013417900000000, -0.0010094600000000 ] - [ 0.0000000000000000, -0.0008097400000000, 0.0026761100000000 ] - [ 0.0000000000000000, -0.0006882100000000, -0.0001910500000000 ] - [ 0.0000000000000000, -0.0101342200000000, 0.0073348000000000 ] - [ 0.0000000000000000, -0.0010164600000000, 0.0005971800000000 ] - [ 0.0000000000000000, -0.0101119500000000, 0.0075047700000000 ] - [ 0.0000000000000000, -0.0010171300000000, 0.0005990900000000 ] - [ -0.0003878500000000, -0.0002569200000000, -0.0012514300000000 ] - [ 0.0001217600000000, -0.0000366500000000, -0.0002107500000000 ] - [ -0.0006643800000000, 0.0044877200000000, 0.0036074600000000 ] - [ 0.0007392300000000, 0.0006085000000000, 0.0007629100000000 ] - [ -0.0001217600000000, -0.0000366500000000, -0.0002107500000000 ] - [ 0.0003878500000000, -0.0002569200000000, -0.0012514300000000 ] - [ -0.0007392300000000, 0.0006085000000000, 0.0007629100000000 ] - [ 0.0006643800000000, 0.0044877200000000, 0.0036074600000000 ] - [ -0.0007585300000000, 0.0006269000000000, -0.0007997500000000 ] - [ 0.0007501000000000, 0.0035602900000000, -0.0029213600000000 ] - [ -0.0001184900000000, -0.0000375000000000, 0.0002320400000000 ] - [ 0.0002907600000000, -0.0003967300000000, 0.0011981800000000 ] - [ -0.0007501000000000, 0.0035602900000000, -0.0029213600000000 ] - [ 0.0007585300000000, 0.0006269000000000, -0.0007997500000000 ] - [ -0.0002907600000000, -0.0003967300000000, 0.0011981800000000 ] - [ 0.0001184900000000, -0.0000375000000000, 0.0002320400000000 ] - [ -0.0013722700000000, 0.0019009100000000, -0.0004490300000000 ] - [ -0.0002693500000000, 0.0007394100000000, -0.0001173100000000 ] - [ -0.0013717400000000, 0.0019159100000000, 0.0005131000000000 ] - [ -0.0002598700000000, 0.0007232800000000, 0.0001169100000000 ] - [ -0.0005884800000000, -0.0006901100000000, 0.0000606700000000 ] - [ -0.0013325500000000, -0.0022501100000000, 0.0005116800000000 ] - [ -0.0012504000000000, -0.0010206400000000, -0.0000566600000000 ] - [ 0.0172148800000000, 0.0199476400000000, 0.0143165100000000 ] - [ 0.0002693500000000, 0.0007394100000000, -0.0001173100000000 ] - [ 0.0013722700000000, 0.0019009100000000, -0.0004490300000000 ] - [ 0.0002598700000000, 0.0007232800000000, 0.0001169100000000 ] - [ 0.0013717400000000, 0.0019159100000000, 0.0005131000000000 ] - [ 0.0013325500000000, -0.0022501100000000, 0.0005116800000000 ] - [ 0.0005884800000000, -0.0006901100000000, 0.0000606700000000 ] - [ -0.0172148800000000, 0.0199476400000000, 0.0143165100000000 ] - [ 0.0012504000000000, -0.0010206400000000, -0.0000566600000000 ] - [ 0.0000000000000000, 0.0014644300000000, -0.0007947700000000 ] - [ 0.0000000000000000, 0.0008221700000000, -0.0002117700000000 ] - [ 0.0000000000000000, 0.0013621500000000, 0.0008448100000000 ] - [ 0.0000000000000000, 0.0008114600000000, 0.0002066600000000 ] - [ -0.0005045300000000, -0.0009237900000000, 0.0000079100000000 ] - [ 0.0005045300000000, -0.0009237900000000, 0.0000079100000000 ] - [ -0.0050300900000000, 0.0005279900000000, -0.0001587100000000 ] - [ 0.0050300900000000, 0.0005279900000000, -0.0001587100000000 ] - [ 0.0000002200000000, 0.0012790000000000, 0.0006697600000000 ] - [ -0.0000002200000000, 0.0012790000000000, 0.0006697600000000 ] - [ 0.0000002700000000, 0.0012944500000000, 0.0008365500000000 ] - [ -0.0000002700000000, 0.0012944500000000, 0.0008365500000000 ] - [ -0.0000010600000000, 0.0012822900000000, -0.0007504700000000 ] - [ 0.0000010600000000, 0.0012822900000000, -0.0007504700000000 ] - [ 0.0000022900000000, 0.0012826000000000, -0.0007492500000000 ] - [ -0.0000022900000000, 0.0012826000000000, -0.0007492500000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0030586200000000, -0.0007326300000000, 0.0001860900000000 ] - [ 0.0086673100000000, -0.0116770100000000, 0.0021329400000000 ] - [ 0.0003764100000000, 0.0005556300000000, -0.0002016400000000 ] - [ -0.0018616500000000, 0.0041744600000000, -0.0009394600000000 ] - [ -0.0003278000000000, -0.0018508000000000, -0.0039092200000000 ] - [ 0.0001063800000000, -0.0003304300000000, -0.0008784400000000 ] - [ -0.0000364500000000, -0.0010366100000000, 0.0036088600000000 ] - [ 0.0000316000000000, -0.0003296300000000, 0.0008791200000000 ] - [ -0.0086673100000000, -0.0116770100000000, 0.0021329400000000 ] - [ 0.0030586200000000, -0.0007326300000000, 0.0001860900000000 ] - [ 0.0018616500000000, 0.0041744600000000, -0.0009394600000000 ] - [ -0.0003764100000000, 0.0005556300000000, -0.0002016400000000 ] - [ -0.0001063800000000, -0.0003304300000000, -0.0008784400000000 ] - [ 0.0003278000000000, -0.0018508000000000, -0.0039092200000000 ] - [ -0.0000316000000000, -0.0003296300000000, 0.0008791200000000 ] - [ 0.0000364500000000, -0.0010366100000000, 0.0036088600000000 ] - [ 0.0000000000000000, 0.1184330300000000, 0.1916463800000000 ] - [ 0.0000000000000000, 0.0018036200000000, 0.0004917000000000 ] - [ 0.0000000000000000, 0.0139438900000000, -0.0236474100000000 ] - [ 0.0000000000000000, 0.0008000200000000, -0.0004925700000000 ] - [ -0.0006335300000000, -0.0016895400000000, -0.0001958700000000 ] - [ 0.0006335300000000, -0.0016895400000000, -0.0001958700000000 ] - [ -0.0003860500000000, -0.0015403000000000, 0.0001972300000000 ] - [ 0.0003860500000000, -0.0015403000000000, 0.0001972300000000 ] - [ 0.0000566900000000, -0.0014313900000000, 0.0036219400000000 ] - [ -0.0000088200000000, -0.0007196100000000, 0.0008823100000000 ] - [ 0.0003477400000000, -0.0022390800000000, -0.0039215800000000 ] - [ -0.0000884400000000, -0.0007231000000000, -0.0008813200000000 ] - [ -0.0003645500000000, 0.0009496600000000, -0.0002018600000000 ] - [ 0.0018985500000000, 0.0045944000000000, -0.0009335400000000 ] - [ 0.0030839000000000, -0.0003432400000000, 0.0001856800000000 ] - [ -0.0086705200000000, -0.0113243000000000, 0.0021320900000000 ] - [ 0.0000088200000000, -0.0007196100000000, 0.0008823100000000 ] - [ -0.0000566900000000, -0.0014313900000000, 0.0036219400000000 ] - [ 0.0000884400000000, -0.0007231000000000, -0.0008813200000000 ] - [ -0.0003477400000000, -0.0022390800000000, -0.0039215800000000 ] - [ -0.0018985500000000, 0.0045944000000000, -0.0009335400000000 ] - [ 0.0003645500000000, 0.0009496600000000, -0.0002018600000000 ] - [ 0.0086705200000000, -0.0113243000000000, 0.0021320900000000 ] - [ -0.0030839000000000, -0.0003432400000000, 0.0001856800000000 ] - [ 0.0003862400000000, -0.0013444900000000, 0.0001972600000000 ] - [ -0.0003862400000000, -0.0013444900000000, 0.0001972600000000 ] - [ 0.0006325900000000, -0.0014922200000000, -0.0001964800000000 ] - [ -0.0006325900000000, -0.0014922200000000, -0.0001964800000000 ] - [ 0.0000000000000000, 0.0138456200000000, -0.0236951800000000 ] - [ 0.0000000000000000, 0.0006021200000000, -0.0004893700000000 ] - [ 0.0000000000000000, 0.1100818300000000, 0.1825670100000000 ] - [ 0.0000000000000000, 0.0016076500000000, 0.0004903700000000 ] - [ 0.0006285300000000, 0.0005529600000000, 0.0007057200000000 ] - [ -0.0006638500000000, 0.0040969100000000, 0.0033582800000000 ] - [ -0.0001107300000000, -0.0002069800000000, -0.0003569500000000 ] - [ 0.0000221500000000, -0.0012281600000000, -0.0013547100000000 ] - [ 0.0006638500000000, 0.0040969100000000, 0.0033582800000000 ] - [ -0.0006285300000000, 0.0005529600000000, 0.0007057200000000 ] - [ -0.0000221500000000, -0.0012281600000000, -0.0013547100000000 ] - [ 0.0001107300000000, -0.0002069800000000, -0.0003569500000000 ] - [ 0.0003777900000000, 0.0032850600000000, -0.0036339600000000 ] - [ -0.0006172600000000, 0.0005781200000000, -0.0008321600000000 ] - [ 0.0001818200000000, -0.0012403800000000, 0.0021201800000000 ] - [ 0.0000914200000000, -0.0002215100000000, 0.0004741100000000 ] - [ 0.0006172600000000, 0.0005781200000000, -0.0008321600000000 ] - [ -0.0003777900000000, 0.0032850600000000, -0.0036339600000000 ] - [ -0.0000914200000000, -0.0002215100000000, 0.0004741100000000 ] - [ -0.0001818200000000, -0.0012403800000000, 0.0021201800000000 ] - [ 0.0007645400000000, -0.0008075300000000, -0.0001134000000000 ] - [ -0.0153724300000000, 0.0218567200000000, 0.0047084600000000 ] - [ -0.0000138800000000, -0.0004797300000000, 0.0001151300000000 ] - [ 0.0030307900000000, -0.0048158600000000, 0.0028982600000000 ] - [ 0.0007364400000000, 0.0014077200000000, 0.0005817900000000 ] - [ -0.0000526000000000, 0.0005660300000000, 0.0001461000000000 ] - [ 0.0005120100000000, 0.0011379300000000, -0.0005256600000000 ] - [ 0.0000192800000000, 0.0005696400000000, -0.0001458700000000 ] - [ 0.0153724300000000, 0.0218567200000000, 0.0047084600000000 ] - [ -0.0007645400000000, -0.0008075300000000, -0.0001134000000000 ] - [ -0.0030307900000000, -0.0048158600000000, 0.0028982600000000 ] - [ 0.0000138800000000, -0.0004797300000000, 0.0001151300000000 ] - [ 0.0000526000000000, 0.0005660300000000, 0.0001461000000000 ] - [ -0.0007364400000000, 0.0014077200000000, 0.0005817900000000 ] - [ -0.0000192800000000, 0.0005696400000000, -0.0001458700000000 ] - [ -0.0005120100000000, 0.0011379300000000, -0.0005256600000000 ] - [ 0.0043076800000000, 0.0016134300000000, -0.0003153900000000 ] - [ -0.0043076800000000, 0.0016134300000000, -0.0003153900000000 ] - [ -0.0007186000000000, -0.0001387600000000, 0.0002135600000000 ] - [ 0.0007186000000000, -0.0001387600000000, 0.0002135600000000 ] - [ 0.0000000000000000, 0.0001028000000000, 0.0009548500000000 ] - [ 0.0000000000000000, -0.0003114200000000, 0.0002452900000000 ] - [ 0.0000000000000000, -0.0001191200000000, -0.0008976500000000 ] - [ 0.0000000000000000, -0.0003139900000000, -0.0002487100000000 ] - [ 0.0000000000000000, -0.3001185200000000, -0.4720958400000000 ] - [ 0.0000000000000000, -0.0010084800000000, -0.0008979900000000 ] - [ 0.0000000000000000, 0.0026778900000000, 0.0166658000000000 ] - [ 0.0000000000000000, -0.0001925300000000, 0.0001915800000000 ] - [ 0.0000000000000000, -0.0074139400000000, 0.0466445800000000 ] - [ 0.0000000000000000, -0.0005973600000000, 0.0003540800000000 ] - [ 0.0000000000000000, -0.0074282600000000, 0.0459290100000000 ] - [ 0.0000000000000000, -0.0006000200000000, 0.0003583400000000 ] - [ 0.0000221500000000, -0.0012353200000000, -0.0013649800000000 ] - [ -0.0001106200000000, -0.0002080600000000, -0.0003592700000000 ] - [ -0.0006627500000000, 0.0041049500000000, 0.0033671400000000 ] - [ 0.0006283500000000, 0.0005537400000000, 0.0007075100000000 ] - [ 0.0001106200000000, -0.0002080600000000, -0.0003592700000000 ] - [ -0.0000221500000000, -0.0012353200000000, -0.0013649800000000 ] - [ -0.0006283500000000, 0.0005537400000000, 0.0007075100000000 ] - [ 0.0006627500000000, 0.0041049500000000, 0.0033671400000000 ] - [ -0.0006191900000000, 0.0005800800000000, -0.0008341400000000 ] - [ 0.0003788600000000, 0.0032892600000000, -0.0036359500000000 ] - [ 0.0000938700000000, -0.0002237200000000, 0.0004761900000000 ] - [ 0.0001796400000000, -0.0012493100000000, 0.0021275100000000 ] - [ -0.0003788600000000, 0.0032892600000000, -0.0036359500000000 ] - [ 0.0006191900000000, 0.0005800800000000, -0.0008341400000000 ] - [ -0.0001796400000000, -0.0012493100000000, 0.0021275100000000 ] - [ -0.0000938700000000, -0.0002237200000000, 0.0004761900000000 ] - [ -0.0007292100000000, 0.0009660900000000, -0.0005273700000000 ] - [ -0.0002357300000000, 0.0003984300000000, -0.0001466300000000 ] - [ -0.0009516800000000, 0.0012374800000000, 0.0005848900000000 ] - [ -0.0001663600000000, 0.0003956400000000, 0.0001468200000000 ] - [ -0.0002017200000000, -0.0003108100000000, 0.0001141200000000 ] - [ -0.0032769500000000, -0.0046825200000000, 0.0029018200000000 ] - [ -0.0009822300000000, -0.0006359500000000, -0.0001120200000000 ] - [ 0.0151243600000000, 0.0219614800000000, 0.0047784500000000 ] - [ 0.0002357300000000, 0.0003984300000000, -0.0001466300000000 ] - [ 0.0007292100000000, 0.0009660900000000, -0.0005273700000000 ] - [ 0.0001663600000000, 0.0003956400000000, 0.0001468200000000 ] - [ 0.0009516800000000, 0.0012374800000000, 0.0005848900000000 ] - [ 0.0032769500000000, -0.0046825200000000, 0.0029018200000000 ] - [ 0.0002017200000000, -0.0003108100000000, 0.0001141200000000 ] - [ -0.0151243600000000, 0.0219614800000000, 0.0047784500000000 ] - [ 0.0009822300000000, -0.0006359500000000, -0.0001120200000000 ] - [ 0.0000000000000000, 0.0008855600000000, -0.0008997200000000 ] - [ 0.0000000000000000, 0.0006964300000000, -0.0002493300000000 ] - [ 0.0000000000000000, 0.0011085800000000, 0.0009601100000000 ] - [ 0.0000000000000000, 0.0006868400000000, 0.0002463300000000 ] - [ 0.0007278200000000, -0.0011433600000000, 0.0002113500000000 ] - [ -0.0007278200000000, -0.0011433600000000, 0.0002113500000000 ] - [ -0.0043115900000000, 0.0006124100000000, -0.0003147100000000 ] - [ 0.0043115900000000, 0.0006124100000000, -0.0003147100000000 ] - [ 0.0000004900000000, 0.0006706100000000, 0.0002642800000000 ] - [ -0.0000004900000000, 0.0006706100000000, 0.0002642800000000 ] - [ 0.0000001200000000, 0.0008366400000000, 0.0006216800000000 ] - [ -0.0000001200000000, 0.0008366400000000, 0.0006216800000000 ] - [ 0.0000230200000000, 0.0007504500000000, -0.0004409400000000 ] - [ -0.0000230200000000, 0.0007504500000000, -0.0004409400000000 ] - [ -0.0000224900000000, 0.0007502800000000, -0.0004391800000000 ] - [ 0.0000224900000000, 0.0007502800000000, -0.0004391800000000 ]