# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/59206203-9f00-44d0-a4c2-3432d154fd8d/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 Ba2Sc2O5 / P4/mmm (123) / materials id 867133](https://mdr.nims.go.jp/datasets/5d992fbc-e28a-4693-b3a7-899456a70b53) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 nac_unit_conversion_factor: 14.399652 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "P4/mmm" number: 123 Hall_symbol: "-P 4 2"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 4.132633280000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 4.132633280000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.193435300000001 ] # c points: - symbol: Ba # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 137.327000 - symbol: Ba # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 137.327000 - symbol: Sc # 3 coordinates: [ 0.500000000000000, 0.500000000000000, 0.260776490000000 ] mass: 44.955912 - symbol: Sc # 4 coordinates: [ 0.500000000000000, 0.500000000000000, 0.739223510000000 ] mass: 44.955912 - symbol: O # 5 coordinates: [ 0.500000000000000, 0.000000000000000, 0.220753290000000 ] mass: 15.999400 - symbol: O # 6 coordinates: [ 0.500000000000000, 0.000000000000000, 0.779246710000000 ] mass: 15.999400 - symbol: O # 7 coordinates: [ 0.000000000000000, 0.500000000000000, 0.220753290000000 ] mass: 15.999400 - symbol: O # 8 coordinates: [ 0.000000000000000, 0.500000000000000, 0.779246710000000 ] mass: 15.999400 - symbol: O # 9 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.241976466878765, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.241976466878765, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.122048928609957 ] # c*unit_cell: lattice: - [ 4.132633280000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 4.132633280000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 8.193435300000001 ] # c points: - symbol: Ba # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 2 - symbol: Sc # 3 coordinates: [ 0.500000000000000, 0.500000000000000, 0.260776490000000 ] mass: 44.955912 reduced_to: 3 - symbol: Sc # 4 coordinates: [ 0.500000000000000, 0.500000000000000, 0.739223510000000 ] mass: 44.955912 reduced_to: 4 - symbol: O # 5 coordinates: [ 0.500000000000000, 0.000000000000000, 0.220753290000000 ] mass: 15.999400 reduced_to: 5 - symbol: O # 6 coordinates: [ 0.500000000000000, 0.000000000000000, 0.779246710000000 ] mass: 15.999400 reduced_to: 6 - symbol: O # 7 coordinates: [ 0.000000000000000, 0.500000000000000, 0.220753290000000 ] mass: 15.999400 reduced_to: 7 - symbol: O # 8 coordinates: [ 0.000000000000000, 0.500000000000000, 0.779246710000000 ] mass: 15.999400 reduced_to: 8 - symbol: O # 9 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 15.999400 reduced_to: 9supercell: lattice: - [ 8.265266560000001, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.265266560000001, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 16.386870600000002 ] # c points: - symbol: Ba # 1 coordinates: [ 0.000000000000000, 0.000000000000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 2 coordinates: [ 0.500000000000000, 0.000000000000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 3 coordinates: [ 0.000000000000000, 0.500000000000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 4 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 5 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 6 coordinates: [ 0.500000000000000, 0.000000000000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 7 coordinates: [ 0.000000000000000, 0.500000000000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 8 coordinates: [ 0.500000000000000, 0.500000000000000, 0.500000000000000 ] mass: 137.327000 reduced_to: 1 - symbol: Ba # 9 coordinates: [ 0.000000000000000, 0.000000000000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 10 coordinates: [ 0.500000000000000, 0.000000000000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 11 coordinates: [ 0.000000000000000, 0.500000000000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 12 coordinates: [ 0.500000000000000, 0.500000000000000, 0.250000000000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 13 coordinates: [ 0.000000000000000, 0.000000000000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 14 coordinates: [ 0.500000000000000, 0.000000000000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 15 coordinates: [ 0.000000000000000, 0.500000000000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 9 - symbol: Ba # 16 coordinates: [ 0.500000000000000, 0.500000000000000, 0.750000000000000 ] mass: 137.327000 reduced_to: 9 - symbol: Sc # 17 coordinates: [ 0.250000000000000, 0.250000000000000, 0.130388245000000 ] mass: 44.955912 reduced_to: 17 - symbol: Sc # 18 coordinates: [ 0.750000000000000, 0.250000000000000, 0.130388245000000 ] mass: 44.955912 reduced_to: 17 - symbol: Sc # 19 coordinates: [ 0.250000000000000, 0.750000000000000, 0.130388245000000 ] mass: 44.955912 reduced_to: 17 - symbol: Sc # 20 coordinates: [ 0.750000000000000, 0.750000000000000, 0.130388245000000 ] mass: 44.955912 reduced_to: 17 - symbol: Sc # 21 coordinates: [ 0.250000000000000, 0.250000000000000, 0.630388245000000 ] mass: 44.955912 reduced_to: 17 - symbol: Sc # 22 coordinates: [ 0.750000000000000, 0.250000000000000, 0.630388245000000 ] mass: 44.955912 reduced_to: 17 - symbol: Sc # 23 coordinates: [ 0.250000000000000, 0.750000000000000, 0.630388245000000 ] mass: 44.955912 reduced_to: 17 - symbol: Sc # 24 coordinates: [ 0.750000000000000, 0.750000000000000, 0.630388245000000 ] mass: 44.955912 reduced_to: 17 - symbol: Sc # 25 coordinates: [ 0.250000000000000, 0.250000000000000, 0.369611755000000 ] mass: 44.955912 reduced_to: 25 - symbol: Sc # 26 coordinates: [ 0.750000000000000, 0.250000000000000, 0.369611755000000 ] mass: 44.955912 reduced_to: 25 - symbol: Sc # 27 coordinates: [ 0.250000000000000, 0.750000000000000, 0.369611755000000 ] mass: 44.955912 reduced_to: 25 - symbol: Sc # 28 coordinates: [ 0.750000000000000, 0.750000000000000, 0.369611755000000 ] mass: 44.955912 reduced_to: 25 - symbol: Sc # 29 coordinates: [ 0.250000000000000, 0.250000000000000, 0.869611755000000 ] mass: 44.955912 reduced_to: 25 - symbol: Sc # 30 coordinates: [ 0.750000000000000, 0.250000000000000, 0.869611755000000 ] mass: 44.955912 reduced_to: 25 - symbol: Sc # 31 coordinates: [ 0.250000000000000, 0.750000000000000, 0.869611755000000 ] mass: 44.955912 reduced_to: 25 - symbol: Sc # 32 coordinates: [ 0.750000000000000, 0.750000000000000, 0.869611755000000 ] mass: 44.955912 reduced_to: 25 - symbol: O # 33 coordinates: [ 0.250000000000000, 0.000000000000000, 0.110376645000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.750000000000000, 0.000000000000000, 0.110376645000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 35 coordinates: [ 0.250000000000000, 0.500000000000000, 0.110376645000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 36 coordinates: [ 0.750000000000000, 0.500000000000000, 0.110376645000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 37 coordinates: [ 0.250000000000000, 0.000000000000000, 0.610376645000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 38 coordinates: [ 0.750000000000000, 0.000000000000000, 0.610376645000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 39 coordinates: [ 0.250000000000000, 0.500000000000000, 0.610376645000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 40 coordinates: [ 0.750000000000000, 0.500000000000000, 0.610376645000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 41 coordinates: [ 0.250000000000000, 0.000000000000000, 0.389623355000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.750000000000000, 0.000000000000000, 0.389623355000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.250000000000000, 0.500000000000000, 0.389623355000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 44 coordinates: [ 0.750000000000000, 0.500000000000000, 0.389623355000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 45 coordinates: [ 0.250000000000000, 0.000000000000000, 0.889623355000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 46 coordinates: [ 0.750000000000000, 0.000000000000000, 0.889623355000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 47 coordinates: [ 0.250000000000000, 0.500000000000000, 0.889623355000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 48 coordinates: [ 0.750000000000000, 0.500000000000000, 0.889623355000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 49 coordinates: [ 0.000000000000000, 0.250000000000000, 0.110376645000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.500000000000000, 0.250000000000000, 0.110376645000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.000000000000000, 0.750000000000000, 0.110376645000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 52 coordinates: [ 0.500000000000000, 0.750000000000000, 0.110376645000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 53 coordinates: [ 0.000000000000000, 0.250000000000000, 0.610376645000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 54 coordinates: [ 0.500000000000000, 0.250000000000000, 0.610376645000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 55 coordinates: [ 0.000000000000000, 0.750000000000000, 0.610376645000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 56 coordinates: [ 0.500000000000000, 0.750000000000000, 0.610376645000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 57 coordinates: [ 0.000000000000000, 0.250000000000000, 0.389623355000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.500000000000000, 0.250000000000000, 0.389623355000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.000000000000000, 0.750000000000000, 0.389623355000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 60 coordinates: [ 0.500000000000000, 0.750000000000000, 0.389623355000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 61 coordinates: [ 0.000000000000000, 0.250000000000000, 0.889623355000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 62 coordinates: [ 0.500000000000000, 0.250000000000000, 0.889623355000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 63 coordinates: [ 0.000000000000000, 0.750000000000000, 0.889623355000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 64 coordinates: [ 0.500000000000000, 0.750000000000000, 0.889623355000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 65 coordinates: [ 0.250000000000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.750000000000000, 0.250000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.250000000000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.750000000000000, 0.750000000000000, 0.250000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.250000000000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 70 coordinates: [ 0.750000000000000, 0.250000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 71 coordinates: [ 0.250000000000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 72 coordinates: [ 0.750000000000000, 0.750000000000000, 0.750000000000000 ] mass: 15.999400 reduced_to: 65born_effective_charge:- # 1 (Ba) - [ 2.325618460000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.325618460000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 3.645170890000000 ]- # 2 (Ba) - [ 2.656176630000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 2.656176630000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.745201700000000 ]- # 3 (Sc) - [ 4.309864010000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.309864010000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.654446220000000 ]- # 4 (Sc) - [ 4.309864010000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.309864010000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 2.654446220000000 ]- # 5 (O) - [ -2.167744250000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -3.738849840000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.049573000000000 ]- # 6 (O) - [ -2.167744250000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -3.738849840000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.049573000000000 ]- # 7 (O) - [ -3.738849840000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.167744250000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.049573000000000 ]- # 8 (O) - [ -3.738849840000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -2.167744250000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -2.049573000000000 ]- # 9 (O) - [ -1.788334940000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, -1.788334940000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, -3.500973020000000 ]dielectric_constant: - [ 4.614200950000000, 0.000000000000000, 0.000000000000000 ] - [ 0.000000000000000, 4.614200950000000, 0.000000000000000 ] - [ 0.000000000000000, 0.000000000000000, 4.515055670000000 ]displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0765841000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0206058100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0032159000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0022872600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001408900000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001698100000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0002038400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0002082900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0031364800000000, 0.0000000000000000, -0.0000178800000000 ] - [ 0.0025085800000000, 0.0000000000000000, 0.0000042700000000 ] - [ -0.0008850900000000, 0.0000000000000000, -0.0000049400000000 ] - [ 0.0008536400000000, 0.0000000000000000, 0.0000036200000000 ] - [ -0.0031364800000000, 0.0000000000000000, 0.0000178800000000 ] - [ 0.0025085800000000, 0.0000000000000000, -0.0000042700000000 ] - [ -0.0008850900000000, 0.0000000000000000, 0.0000049400000000 ] - [ 0.0008536400000000, 0.0000000000000000, -0.0000036200000000 ] - [ 0.0030965300000000, 0.0101407400000000, 0.0089252400000000 ] - [ 0.0031325000000000, -0.0100855200000000, -0.0063627200000000 ] - [ 0.0030965300000000, -0.0101407400000000, 0.0089252400000000 ] - [ 0.0031325000000000, 0.0100855200000000, -0.0063627200000000 ] - [ 0.0000125500000000, -0.0000451200000000, 0.0005702400000000 ] - [ 0.0000187700000000, 0.0000437800000000, 0.0019446300000000 ] - [ 0.0000125500000000, 0.0000451200000000, 0.0005702400000000 ] - [ 0.0000187700000000, -0.0000437800000000, 0.0019446300000000 ] - [ 0.0000125500000000, -0.0000451200000000, -0.0005702400000000 ] - [ 0.0000187700000000, 0.0000437800000000, -0.0019446300000000 ] - [ 0.0000125500000000, 0.0000451200000000, -0.0005702400000000 ] - [ 0.0000187700000000, -0.0000437800000000, -0.0019446300000000 ] - [ 0.0030965300000000, 0.0101407400000000, -0.0089252400000000 ] - [ 0.0031325000000000, -0.0100855200000000, 0.0063627200000000 ] - [ 0.0030965300000000, -0.0101407400000000, -0.0089252400000000 ] - [ 0.0031325000000000, 0.0100855200000000, 0.0063627200000000 ] - [ 0.0055687700000000, 0.0000000000000000, -0.0001866000000000 ] - [ 0.0051955600000000, 0.0000000000000000, -0.0018813000000000 ] - [ 0.0000246400000000, 0.0000000000000000, -0.0009929600000000 ] - [ 0.0000074500000000, 0.0000000000000000, -0.0014267200000000 ] - [ 0.0000042600000000, 0.0000000000000000, -0.0011449100000000 ] - [ 0.0000061800000000, 0.0000000000000000, -0.0012789700000000 ] - [ 0.0000006900000000, 0.0000000000000000, -0.0010346200000000 ] - [ 0.0000013500000000, 0.0000000000000000, -0.0013864100000000 ] - [ 0.0000042600000000, 0.0000000000000000, 0.0011449100000000 ] - [ 0.0000061800000000, 0.0000000000000000, 0.0012789700000000 ] - [ 0.0000006900000000, 0.0000000000000000, 0.0010346200000000 ] - [ 0.0000013500000000, 0.0000000000000000, 0.0013864100000000 ] - [ 0.0055687700000000, 0.0000000000000000, 0.0001866000000000 ] - [ 0.0051955600000000, 0.0000000000000000, 0.0018813000000000 ] - [ 0.0000246400000000, 0.0000000000000000, 0.0009929600000000 ] - [ 0.0000074500000000, 0.0000000000000000, 0.0014267200000000 ] - [ 0.0071942700000000, -0.0000147800000000, -0.0012110700000000 ] - [ -0.0042834600000000, -0.0000093100000000, -0.0012269300000000 ] - [ 0.0071942700000000, 0.0000147800000000, -0.0012110700000000 ] - [ -0.0042834600000000, 0.0000093100000000, -0.0012269300000000 ] - [ 0.0003972900000000, -0.0000002700000000, -0.0012114500000000 ] - [ -0.0004064800000000, 0.0000001700000000, -0.0012114100000000 ] - [ 0.0003972900000000, 0.0000002700000000, -0.0012114500000000 ] - [ -0.0004064800000000, -0.0000001700000000, -0.0012114100000000 ] - [ 0.0003972900000000, -0.0000002700000000, 0.0012114500000000 ] - [ -0.0004064800000000, 0.0000001700000000, 0.0012114100000000 ] - [ 0.0003972900000000, 0.0000002700000000, 0.0012114500000000 ] - [ -0.0004064800000000, -0.0000001700000000, 0.0012114100000000 ] - [ 0.0071942700000000, -0.0000147800000000, 0.0012110700000000 ] - [ -0.0042834600000000, -0.0000093100000000, 0.0012269300000000 ] - [ 0.0071942700000000, 0.0000147800000000, 0.0012110700000000 ] - [ -0.0042834600000000, 0.0000093100000000, 0.0012269300000000 ] - [ -0.0000064300000000, -0.0004749700000000, -0.0021352700000000 ] - [ -0.0000119200000000, 0.0004786200000000, 0.0021288800000000 ] - [ -0.0000064300000000, 0.0004749700000000, -0.0021352700000000 ] - [ -0.0000119200000000, -0.0004786200000000, 0.0021288800000000 ] - [ -0.0000064300000000, -0.0004749700000000, 0.0021352700000000 ] - [ -0.0000119200000000, 0.0004786200000000, -0.0021288800000000 ] - [ -0.0000064300000000, 0.0004749700000000, 0.0021352700000000 ] - [ -0.0000119200000000, -0.0004786200000000, -0.0021288800000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0762834600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0152176200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0152176200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0091133300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0049227200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0046657700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0046657700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0044289300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0122741000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033098900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033098900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015340200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0121517300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033165500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033165500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015391600000000 ] - [ 0.0096203500000000, 0.0096203500000000, 0.0053310200000000 ] - [ -0.0096203500000000, 0.0096203500000000, 0.0053310200000000 ] - [ 0.0096203500000000, -0.0096203500000000, 0.0053310200000000 ] - [ -0.0096203500000000, -0.0096203500000000, 0.0053310200000000 ] - [ -0.0002705300000000, -0.0002705300000000, 0.0048314000000000 ] - [ 0.0002705300000000, -0.0002705300000000, 0.0048314000000000 ] - [ -0.0002705300000000, 0.0002705300000000, 0.0048314000000000 ] - [ 0.0002705300000000, 0.0002705300000000, 0.0048314000000000 ] - [ 0.0002707000000000, 0.0002707000000000, 0.0023083700000000 ] - [ -0.0002707000000000, 0.0002707000000000, 0.0023083700000000 ] - [ 0.0002707000000000, -0.0002707000000000, 0.0023083700000000 ] - [ -0.0002707000000000, -0.0002707000000000, 0.0023083700000000 ] - [ -0.0095641300000000, -0.0095641300000000, 0.0028219300000000 ] - [ 0.0095641300000000, -0.0095641300000000, 0.0028219300000000 ] - [ -0.0095641300000000, 0.0095641300000000, 0.0028219300000000 ] - [ 0.0095641300000000, 0.0095641300000000, 0.0028219300000000 ] - [ -0.0006602400000000, 0.0000000000000000, 0.0048285700000000 ] - [ 0.0006602400000000, 0.0000000000000000, 0.0048285700000000 ] - [ -0.0016363200000000, 0.0000000000000000, 0.0022602200000000 ] - [ 0.0016363200000000, 0.0000000000000000, 0.0022602200000000 ] - [ 0.0002131800000000, 0.0000000000000000, -0.0041380100000000 ] - [ -0.0002131800000000, 0.0000000000000000, -0.0041380100000000 ] - [ 0.0001237100000000, 0.0000000000000000, -0.0037056000000000 ] - [ -0.0001237100000000, 0.0000000000000000, -0.0037056000000000 ] - [ -0.0002183900000000, 0.0000000000000000, -0.0017188300000000 ] - [ 0.0002183900000000, 0.0000000000000000, -0.0017188300000000 ] - [ -0.0001244900000000, 0.0000000000000000, -0.0012837100000000 ] - [ 0.0001244900000000, 0.0000000000000000, -0.0012837100000000 ] - [ 0.0009067000000000, 0.0000000000000000, 0.0069747800000000 ] - [ -0.0009067000000000, 0.0000000000000000, 0.0069747800000000 ] - [ 0.0016381200000000, 0.0000000000000000, 0.0046728600000000 ] - [ -0.0016381200000000, 0.0000000000000000, 0.0046728600000000 ] - [ 0.0000000000000000, -0.0006602400000000, 0.0048285700000000 ] - [ 0.0000000000000000, -0.0016363200000000, 0.0022602200000000 ] - [ 0.0000000000000000, 0.0006602400000000, 0.0048285700000000 ] - [ 0.0000000000000000, 0.0016363200000000, 0.0022602200000000 ] - [ 0.0000000000000000, 0.0002131800000000, -0.0041380100000000 ] - [ 0.0000000000000000, 0.0001237100000000, -0.0037056000000000 ] - [ 0.0000000000000000, -0.0002131800000000, -0.0041380100000000 ] - [ 0.0000000000000000, -0.0001237100000000, -0.0037056000000000 ] - [ 0.0000000000000000, -0.0002183900000000, -0.0017188300000000 ] - [ 0.0000000000000000, -0.0001244900000000, -0.0012837100000000 ] - [ 0.0000000000000000, 0.0002183900000000, -0.0017188300000000 ] - [ 0.0000000000000000, 0.0001244900000000, -0.0012837100000000 ] - [ 0.0000000000000000, 0.0009067000000000, 0.0069747800000000 ] - [ 0.0000000000000000, 0.0016381200000000, 0.0046728600000000 ] - [ 0.0000000000000000, -0.0009067000000000, 0.0069747800000000 ] - [ 0.0000000000000000, -0.0016381200000000, 0.0046728600000000 ] - [ -0.0008637600000000, -0.0008637600000000, -0.0045409300000000 ] - [ 0.0008637600000000, -0.0008637600000000, -0.0045409300000000 ] - [ -0.0008637600000000, 0.0008637600000000, -0.0045409300000000 ] - [ 0.0008637600000000, 0.0008637600000000, -0.0045409300000000 ] - [ 0.0008592200000000, 0.0008592200000000, -0.0045428300000000 ] - [ -0.0008592200000000, 0.0008592200000000, -0.0045428300000000 ] - [ 0.0008592200000000, -0.0008592200000000, -0.0045428300000000 ] - [ -0.0008592200000000, -0.0008592200000000, -0.0045428300000000 ]- atom: 9 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0031382000000000, 0.0000000000000000, 0.0000156300000000 ] - [ 0.0025090700000000, 0.0000000000000000, -0.0000063200000000 ] - [ -0.0008836400000000, 0.0000000000000000, 0.0000022200000000 ] - [ 0.0008523200000000, 0.0000000000000000, -0.0000041500000000 ] - [ -0.0031382000000000, 0.0000000000000000, -0.0000156300000000 ] - [ 0.0025090700000000, 0.0000000000000000, 0.0000063200000000 ] - [ -0.0008836400000000, 0.0000000000000000, -0.0000022200000000 ] - [ 0.0008523200000000, 0.0000000000000000, 0.0000041500000000 ] - [ -0.0540647500000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0195510500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0057635400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0047664900000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000976300000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001004600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0000740600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0000723600000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0045054900000000, 0.0097746600000000, -0.0085245100000000 ] - [ 0.0045268700000000, -0.0097022400000000, 0.0109921800000000 ] - [ 0.0045054900000000, -0.0097746600000000, -0.0085245100000000 ] - [ 0.0045268700000000, 0.0097022400000000, 0.0109921800000000 ] - [ -0.0000074900000000, 0.0000694100000000, 0.0015095900000000 ] - [ 0.0000012100000000, -0.0000690300000000, 0.0010214300000000 ] - [ -0.0000074900000000, -0.0000694100000000, 0.0015095900000000 ] - [ 0.0000012100000000, 0.0000690300000000, 0.0010214300000000 ] - [ 0.0045054900000000, 0.0097746600000000, 0.0085245100000000 ] - [ 0.0045268700000000, -0.0097022400000000, -0.0109921800000000 ] - [ 0.0045054900000000, -0.0097746600000000, 0.0085245100000000 ] - [ 0.0045268700000000, 0.0097022400000000, -0.0109921800000000 ] - [ -0.0000074900000000, 0.0000694100000000, -0.0015095900000000 ] - [ 0.0000012100000000, -0.0000690300000000, -0.0010214300000000 ] - [ -0.0000074900000000, -0.0000694100000000, -0.0015095900000000 ] - [ 0.0000012100000000, 0.0000690300000000, -0.0010214300000000 ] - [ -0.0018953200000000, 0.0000000000000000, 0.0055279500000000 ] - [ -0.0019950900000000, 0.0000000000000000, -0.0079683000000000 ] - [ 0.0000991000000000, 0.0000000000000000, 0.0003224000000000 ] - [ 0.0000888200000000, 0.0000000000000000, -0.0027280300000000 ] - [ -0.0000199300000000, 0.0000000000000000, -0.0013279700000000 ] - [ -0.0000207700000000, 0.0000000000000000, -0.0010830000000000 ] - [ -0.0000002900000000, 0.0000000000000000, -0.0012759300000000 ] - [ -0.0000028700000000, 0.0000000000000000, -0.0011350300000000 ] - [ -0.0018953200000000, 0.0000000000000000, -0.0055279500000000 ] - [ -0.0019950900000000, 0.0000000000000000, 0.0079683000000000 ] - [ 0.0000991000000000, 0.0000000000000000, -0.0003224000000000 ] - [ 0.0000888200000000, 0.0000000000000000, 0.0027280300000000 ] - [ -0.0000199300000000, 0.0000000000000000, 0.0013279700000000 ] - [ -0.0000207700000000, 0.0000000000000000, 0.0010830000000000 ] - [ -0.0000002900000000, 0.0000000000000000, 0.0012759300000000 ] - [ -0.0000028700000000, 0.0000000000000000, 0.0011350300000000 ] - [ 0.0074336100000000, 0.0000133500000000, -0.0012236300000000 ] - [ -0.0048847800000000, -0.0000044800000000, -0.0012005200000000 ] - [ 0.0074336100000000, -0.0000133500000000, -0.0012236300000000 ] - [ -0.0048847800000000, 0.0000044800000000, -0.0012005200000000 ] - [ 0.0001438200000000, -0.0000005700000000, -0.0012017100000000 ] - [ -0.0001505400000000, 0.0000000100000000, -0.0012051800000000 ] - [ 0.0001438200000000, 0.0000005700000000, -0.0012017100000000 ] - [ -0.0001505400000000, -0.0000000100000000, -0.0012051800000000 ] - [ 0.0074336100000000, 0.0000133500000000, 0.0012236300000000 ] - [ -0.0048847800000000, -0.0000044800000000, 0.0012005200000000 ] - [ 0.0074336100000000, -0.0000133500000000, 0.0012236300000000 ] - [ -0.0048847800000000, 0.0000044800000000, 0.0012005200000000 ] - [ 0.0001438200000000, -0.0000005700000000, 0.0012017100000000 ] - [ -0.0001505400000000, 0.0000000100000000, 0.0012051800000000 ] - [ 0.0001438200000000, 0.0000005700000000, 0.0012017100000000 ] - [ -0.0001505400000000, -0.0000000100000000, 0.0012051800000000 ] - [ -0.0003995500000000, -0.0032555300000000, 0.0000000000000000 ] - [ -0.0005781900000000, 0.0033809800000000, 0.0000000000000000 ] - [ -0.0003995500000000, 0.0032555300000000, 0.0000000000000000 ] - [ -0.0005781900000000, -0.0033809800000000, 0.0000000000000000 ] - [ 0.0000022400000000, -0.0000096100000000, 0.0000000000000000 ] - [ 0.0000007200000000, 0.0000096100000000, 0.0000000000000000 ] - [ 0.0000022400000000, 0.0000096100000000, 0.0000000000000000 ] - [ 0.0000007200000000, -0.0000096100000000, 0.0000000000000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0121464100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033144500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033144500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015401300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0122827100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033102900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0033102900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0015296400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0342840500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0082017600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0082017600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0044678900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0029675000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026382300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026382300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0022987500000000 ] - [ -0.0100292200000000, -0.0100292200000000, -0.0003602000000000 ] - [ 0.0100292200000000, -0.0100292200000000, -0.0003602000000000 ] - [ -0.0100292200000000, 0.0100292200000000, -0.0003602000000000 ] - [ 0.0100292200000000, 0.0100292200000000, -0.0003602000000000 ] - [ 0.0005032100000000, 0.0005032100000000, 0.0039238500000000 ] - [ -0.0005032100000000, 0.0005032100000000, 0.0039238500000000 ] - [ 0.0005032100000000, -0.0005032100000000, 0.0039238500000000 ] - [ -0.0005032100000000, -0.0005032100000000, 0.0039238500000000 ] - [ 0.0100948000000000, 0.0100948000000000, -0.0029198800000000 ] - [ -0.0100948000000000, 0.0100948000000000, -0.0029198800000000 ] - [ 0.0100948000000000, -0.0100948000000000, -0.0029198800000000 ] - [ -0.0100948000000000, -0.0100948000000000, -0.0029198800000000 ] - [ -0.0005120300000000, -0.0005120300000000, 0.0013844200000000 ] - [ 0.0005120300000000, -0.0005120300000000, 0.0013844200000000 ] - [ -0.0005120300000000, 0.0005120300000000, 0.0013844200000000 ] - [ 0.0005120300000000, 0.0005120300000000, 0.0013844200000000 ] - [ 0.0057618900000000, 0.0000000000000000, -0.0033373700000000 ] - [ -0.0057618900000000, 0.0000000000000000, -0.0033373700000000 ] - [ 0.0013585600000000, 0.0000000000000000, -0.0002517300000000 ] - [ -0.0013585600000000, 0.0000000000000000, -0.0002517300000000 ] - [ -0.0003742900000000, 0.0000000000000000, -0.0037897500000000 ] - [ 0.0003742900000000, 0.0000000000000000, -0.0037897500000000 ] - [ -0.0003007800000000, 0.0000000000000000, -0.0026994700000000 ] - [ 0.0003007800000000, 0.0000000000000000, -0.0026994700000000 ] - [ -0.0057167900000000, 0.0000000000000000, -0.0008023800000000 ] - [ 0.0057167900000000, 0.0000000000000000, -0.0008023800000000 ] - [ -0.0013600800000000, 0.0000000000000000, 0.0021750500000000 ] - [ 0.0013600800000000, 0.0000000000000000, 0.0021750500000000 ] - [ 0.0003638900000000, 0.0000000000000000, -0.0013683300000000 ] - [ -0.0003638900000000, 0.0000000000000000, -0.0013683300000000 ] - [ 0.0002963000000000, 0.0000000000000000, -0.0002826800000000 ] - [ -0.0002963000000000, 0.0000000000000000, -0.0002826800000000 ] - [ 0.0000000000000000, 0.0057618900000000, -0.0033373700000000 ] - [ 0.0000000000000000, 0.0013585600000000, -0.0002517300000000 ] - [ 0.0000000000000000, -0.0057618900000000, -0.0033373700000000 ] - [ 0.0000000000000000, -0.0013585600000000, -0.0002517300000000 ] - [ 0.0000000000000000, -0.0003742900000000, -0.0037897500000000 ] - [ 0.0000000000000000, -0.0003007800000000, -0.0026994700000000 ] - [ 0.0000000000000000, 0.0003742900000000, -0.0037897500000000 ] - [ 0.0000000000000000, 0.0003007800000000, -0.0026994700000000 ] - [ 0.0000000000000000, -0.0057167900000000, -0.0008023800000000 ] - [ 0.0000000000000000, -0.0013600800000000, 0.0021750500000000 ] - [ 0.0000000000000000, 0.0057167900000000, -0.0008023800000000 ] - [ 0.0000000000000000, 0.0013600800000000, 0.0021750500000000 ] - [ 0.0000000000000000, 0.0003638900000000, -0.0013683300000000 ] - [ 0.0000000000000000, 0.0002963000000000, -0.0002826800000000 ] - [ 0.0000000000000000, -0.0003638900000000, -0.0013683300000000 ] - [ 0.0000000000000000, -0.0002963000000000, -0.0002826800000000 ] - [ 0.0000107900000000, 0.0000107900000000, 0.0127173600000000 ] - [ -0.0000107900000000, 0.0000107900000000, 0.0127173600000000 ] - [ 0.0000107900000000, -0.0000107900000000, 0.0127173600000000 ] - [ -0.0000107900000000, -0.0000107900000000, 0.0127173600000000 ] - [ -0.0000007300000000, -0.0000007300000000, -0.0034228100000000 ] - [ 0.0000007300000000, -0.0000007300000000, -0.0034228100000000 ] - [ -0.0000007300000000, 0.0000007300000000, -0.0034228100000000 ] - [ 0.0000007300000000, 0.0000007300000000, -0.0034228100000000 ]- atom: 17 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0031277300000000, 0.0100647600000000, 0.0095515600000000 ] - [ 0.0030995100000000, -0.0101540500000000, -0.0096269100000000 ] - [ 0.0031277300000000, -0.0100647600000000, 0.0095515600000000 ] - [ 0.0030995100000000, 0.0101540500000000, -0.0096269100000000 ] - [ 0.0000189900000000, -0.0000401500000000, -0.0002738900000000 ] - [ 0.0000110700000000, 0.0000484200000000, 0.0002551400000000 ] - [ 0.0000189900000000, 0.0000401500000000, -0.0002738900000000 ] - [ 0.0000110700000000, -0.0000484200000000, 0.0002551400000000 ] - [ 0.0045486300000000, 0.0097054400000000, -0.0100146500000000 ] - [ 0.0044829500000000, -0.0097673100000000, 0.0101095700000000 ] - [ 0.0045486300000000, -0.0097054400000000, -0.0100146500000000 ] - [ 0.0044829500000000, 0.0097673100000000, 0.0101095700000000 ] - [ -0.0000030600000000, 0.0000671000000000, 0.0004995200000000 ] - [ -0.0000037900000000, -0.0000673600000000, -0.0005131700000000 ] - [ -0.0000030600000000, -0.0000671000000000, 0.0004995200000000 ] - [ -0.0000037900000000, 0.0000673600000000, -0.0005131700000000 ] - [ -0.1440940600000000, 0.0000000000000000, 0.0018456400000000 ] - [ 0.0562379100000000, 0.0000000000000000, 0.0012926000000000 ] - [ -0.0029523300000000, 0.0000000000000000, 0.0012513200000000 ] - [ 0.0029725700000000, 0.0000000000000000, 0.0012760100000000 ] - [ -0.0002372300000000, 0.0000000000000000, 0.0012584500000000 ] - [ 0.0002296800000000, 0.0000000000000000, 0.0012545500000000 ] - [ -0.0002278300000000, 0.0000000000000000, 0.0012588600000000 ] - [ 0.0002337100000000, 0.0000000000000000, 0.0012586500000000 ] - [ -0.0003799200000000, 0.0000000000000000, -0.0013604200000000 ] - [ 0.0012381300000000, 0.0000000000000000, -0.0012432700000000 ] - [ -0.0016676800000000, 0.0000000000000000, -0.0012648300000000 ] - [ 0.0015204400000000, 0.0000000000000000, -0.0012596900000000 ] - [ -0.0042237500000000, 0.0000000000000000, -0.0012659500000000 ] - [ 0.0039835700000000, 0.0000000000000000, -0.0012657900000000 ] - [ -0.0026702200000000, 0.0000000000000000, -0.0012643500000000 ] - [ 0.0026528400000000, 0.0000000000000000, -0.0012694300000000 ] - [ 0.0141776100000000, 0.0001170600000000, -0.0012084100000000 ] - [ -0.0098070600000000, 0.0000324000000000, -0.0012080400000000 ] - [ 0.0141776100000000, -0.0001170600000000, -0.0012084100000000 ] - [ -0.0098070600000000, -0.0000324000000000, -0.0012080400000000 ] - [ 0.0001201100000000, -0.0000004600000000, -0.0012016900000000 ] - [ -0.0001205400000000, -0.0000005100000000, -0.0012023000000000 ] - [ 0.0001201100000000, 0.0000004600000000, -0.0012016900000000 ] - [ -0.0001205400000000, 0.0000005100000000, -0.0012023000000000 ] - [ 0.0008634200000000, -0.0000262100000000, 0.0012192300000000 ] - [ -0.0008834900000000, -0.0000036800000000, 0.0012059100000000 ] - [ 0.0008634200000000, 0.0000262100000000, 0.0012192300000000 ] - [ -0.0008834900000000, 0.0000036800000000, 0.0012059100000000 ] - [ 0.0020403300000000, -0.0000008800000000, 0.0012073500000000 ] - [ -0.0019710500000000, -0.0000011800000000, 0.0012096400000000 ] - [ 0.0020403300000000, 0.0000008800000000, 0.0012073500000000 ] - [ -0.0019710500000000, 0.0000011800000000, 0.0012096400000000 ] - [ 0.0178397000000000, 0.0000000000000000, 0.0014591800000000 ] - [ 0.0213687600000000, 0.0000000000000000, -0.0044168400000000 ] - [ 0.0001197900000000, 0.0000000000000000, -0.0000469600000000 ] - [ 0.0001932400000000, 0.0000000000000000, -0.0023889000000000 ] - [ 0.0000013500000000, 0.0000000000000000, -0.0011653500000000 ] - [ 0.0000027400000000, 0.0000000000000000, -0.0012376100000000 ] - [ -0.0000056400000000, 0.0000000000000000, -0.0011700800000000 ] - [ -0.0000042900000000, 0.0000000000000000, -0.0012353000000000 ] - [ -0.0001517500000000, 0.0000000000000000, 0.0016895300000000 ] - [ -0.0000909600000000, 0.0000000000000000, 0.0007376800000000 ] - [ -0.0000428900000000, 0.0000000000000000, 0.0023668900000000 ] - [ -0.0000274300000000, 0.0000000000000000, 0.0000379800000000 ] - [ -0.0002320000000000, 0.0000000000000000, -0.0024970700000000 ] - [ -0.0002322500000000, 0.0000000000000000, 0.0049326400000000 ] - [ -0.0000412800000000, 0.0000000000000000, -0.0017002800000000 ] - [ -0.0000371500000000, 0.0000000000000000, 0.0041382300000000 ] - [ 0.0158103100000000, 0.0000000000000000, -0.0000272200000000 ] - [ -0.0064667200000000, 0.0000000000000000, -0.0000318500000000 ] - [ 0.0019457300000000, 0.0000000000000000, 0.0000112100000000 ] - [ -0.0019626700000000, 0.0000000000000000, -0.0000109100000000 ] - [ 0.0005134300000000, 0.0000000000000000, 0.0000086800000000 ] - [ -0.0005121100000000, 0.0000000000000000, 0.0000090500000000 ] - [ 0.0003992200000000, 0.0000000000000000, 0.0000077400000000 ] - [ -0.0004057100000000, 0.0000000000000000, 0.0000095400000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0076280900000000, 0.0076280900000000, 0.0041057300000000 ] - [ -0.0076280900000000, 0.0076280900000000, 0.0041057300000000 ] - [ 0.0076280900000000, -0.0076280900000000, 0.0041057300000000 ] - [ -0.0076280900000000, -0.0076280900000000, 0.0041057300000000 ] - [ -0.0006911700000000, -0.0006911700000000, 0.0035743200000000 ] - [ 0.0006911700000000, -0.0006911700000000, 0.0035743200000000 ] - [ -0.0006911700000000, 0.0006911700000000, 0.0035743200000000 ] - [ 0.0006911700000000, 0.0006911700000000, 0.0035743200000000 ] - [ -0.0097973700000000, -0.0097973700000000, -0.0016766700000000 ] - [ 0.0097973700000000, -0.0097973700000000, -0.0016766700000000 ] - [ -0.0097973700000000, 0.0097973700000000, -0.0016766700000000 ] - [ 0.0097973700000000, 0.0097973700000000, -0.0016766700000000 ] - [ 0.0002424200000000, 0.0002424200000000, 0.0026561000000000 ] - [ -0.0002424200000000, 0.0002424200000000, 0.0026561000000000 ] - [ 0.0002424200000000, -0.0002424200000000, 0.0026561000000000 ] - [ -0.0002424200000000, -0.0002424200000000, 0.0026561000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2228730700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0041236900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0041236900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035387900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0044817700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0041205800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0041205800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036158700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0274217300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034620200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0034620200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015536600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0067170200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006452300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006452300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002182400000000 ] - [ 0.0000000000000000, 0.0042828400000000, 0.0182316300000000 ] - [ 0.0000000000000000, -0.0017488000000000, 0.0018310100000000 ] - [ 0.0000000000000000, -0.0042828400000000, 0.0182316300000000 ] - [ 0.0000000000000000, 0.0017488000000000, 0.0018310100000000 ] - [ 0.0000000000000000, -0.0000229200000000, -0.0033734700000000 ] - [ 0.0000000000000000, 0.0000045100000000, -0.0032334400000000 ] - [ 0.0000000000000000, 0.0000229200000000, -0.0033734700000000 ] - [ 0.0000000000000000, -0.0000045100000000, -0.0032334400000000 ] - [ 0.0000000000000000, 0.0059389500000000, -0.0025088600000000 ] - [ 0.0000000000000000, 0.0008604400000000, 0.0007699100000000 ] - [ 0.0000000000000000, -0.0059389500000000, -0.0025088600000000 ] - [ 0.0000000000000000, -0.0008604400000000, 0.0007699100000000 ] - [ 0.0000000000000000, -0.0016927800000000, -0.0014728600000000 ] - [ 0.0000000000000000, -0.0004611500000000, 0.0000694200000000 ] - [ 0.0000000000000000, 0.0016927800000000, -0.0014728600000000 ] - [ 0.0000000000000000, 0.0004611500000000, 0.0000694200000000 ] - [ 0.0042828400000000, 0.0000000000000000, 0.0182316300000000 ] - [ -0.0042828400000000, 0.0000000000000000, 0.0182316300000000 ] - [ -0.0017488000000000, 0.0000000000000000, 0.0018310100000000 ] - [ 0.0017488000000000, 0.0000000000000000, 0.0018310100000000 ] - [ -0.0000229200000000, 0.0000000000000000, -0.0033734700000000 ] - [ 0.0000229200000000, 0.0000000000000000, -0.0033734700000000 ] - [ 0.0000045100000000, 0.0000000000000000, -0.0032334400000000 ] - [ -0.0000045100000000, 0.0000000000000000, -0.0032334400000000 ] - [ 0.0059389500000000, 0.0000000000000000, -0.0025088600000000 ] - [ -0.0059389500000000, 0.0000000000000000, -0.0025088600000000 ] - [ 0.0008604400000000, 0.0000000000000000, 0.0007699100000000 ] - [ -0.0008604400000000, 0.0000000000000000, 0.0007699100000000 ] - [ -0.0016927800000000, 0.0000000000000000, -0.0014728600000000 ] - [ 0.0016927800000000, 0.0000000000000000, -0.0014728600000000 ] - [ -0.0004611500000000, 0.0000000000000000, 0.0000694200000000 ] - [ 0.0004611500000000, 0.0000000000000000, 0.0000694200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1111998200000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0071580300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0071580300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0040668100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0042792400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035677800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0035677800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029084700000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0076627600000000, -0.0076627600000000, -0.0040387800000000 ] - [ 0.0076627600000000, -0.0076627600000000, -0.0040387800000000 ] - [ -0.0076627600000000, 0.0076627600000000, -0.0040387800000000 ] - [ 0.0076627600000000, 0.0076627600000000, -0.0040387800000000 ] - [ 0.0006869000000000, 0.0006869000000000, -0.0035781900000000 ] - [ -0.0006869000000000, 0.0006869000000000, -0.0035781900000000 ] - [ 0.0006869000000000, -0.0006869000000000, -0.0035781900000000 ] - [ -0.0006869000000000, -0.0006869000000000, -0.0035781900000000 ] - [ 0.0097197300000000, 0.0097197300000000, 0.0016043800000000 ] - [ -0.0097197300000000, 0.0097197300000000, 0.0016043800000000 ] - [ 0.0097197300000000, -0.0097197300000000, 0.0016043800000000 ] - [ -0.0097197300000000, -0.0097197300000000, 0.0016043800000000 ] - [ -0.0002485400000000, -0.0002485400000000, -0.0026500500000000 ] - [ 0.0002485400000000, -0.0002485400000000, -0.0026500500000000 ] - [ -0.0002485400000000, 0.0002485400000000, -0.0026500500000000 ] - [ 0.0002485400000000, 0.0002485400000000, -0.0026500500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.2170833000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0066487400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0066487400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0060179000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019569500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015845200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0015845200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0010788600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0295929800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009098800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009098800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0009647900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0093060900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031577900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0031577900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0027320700000000 ] - [ 0.0000000000000000, -0.0042793600000000, -0.0203792200000000 ] - [ 0.0000000000000000, 0.0017006200000000, -0.0042496800000000 ] - [ 0.0000000000000000, 0.0042793600000000, -0.0203792200000000 ] - [ 0.0000000000000000, -0.0017006200000000, -0.0042496800000000 ] - [ 0.0000000000000000, 0.0000263200000000, 0.0009588900000000 ] - [ 0.0000000000000000, -0.0000037000000000, 0.0008171600000000 ] - [ 0.0000000000000000, -0.0000263200000000, 0.0009588900000000 ] - [ 0.0000000000000000, 0.0000037000000000, 0.0008171600000000 ] - [ 0.0000000000000000, -0.0058955600000000, 0.0048965200000000 ] - [ 0.0000000000000000, -0.0008596800000000, 0.0016517000000000 ] - [ 0.0000000000000000, 0.0058955600000000, 0.0048965200000000 ] - [ 0.0000000000000000, 0.0008596800000000, 0.0016517000000000 ] - [ 0.0000000000000000, 0.0017226700000000, 0.0038901400000000 ] - [ 0.0000000000000000, 0.0004672500000000, 0.0023283300000000 ] - [ 0.0000000000000000, -0.0017226700000000, 0.0038901400000000 ] - [ 0.0000000000000000, -0.0004672500000000, 0.0023283300000000 ] - [ -0.0042793600000000, 0.0000000000000000, -0.0203792200000000 ] - [ 0.0042793600000000, 0.0000000000000000, -0.0203792200000000 ] - [ 0.0017006200000000, 0.0000000000000000, -0.0042496800000000 ] - [ -0.0017006200000000, 0.0000000000000000, -0.0042496800000000 ] - [ 0.0000263200000000, 0.0000000000000000, 0.0009588900000000 ] - [ -0.0000263200000000, 0.0000000000000000, 0.0009588900000000 ] - [ -0.0000037000000000, 0.0000000000000000, 0.0008171600000000 ] - [ 0.0000037000000000, 0.0000000000000000, 0.0008171600000000 ] - [ -0.0058955600000000, 0.0000000000000000, 0.0048965200000000 ] - [ 0.0058955600000000, 0.0000000000000000, 0.0048965200000000 ] - [ -0.0008596800000000, 0.0000000000000000, 0.0016517000000000 ] - [ 0.0008596800000000, 0.0000000000000000, 0.0016517000000000 ] - [ 0.0017226700000000, 0.0000000000000000, 0.0038901400000000 ] - [ -0.0017226700000000, 0.0000000000000000, 0.0038901400000000 ] - [ 0.0004672500000000, 0.0000000000000000, 0.0023283300000000 ] - [ -0.0004672500000000, 0.0000000000000000, 0.0023283300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.1042613900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0070648600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0070648600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0040261100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0042861300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035635600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0035635600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028971400000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0052179000000000, 0.0000000000000000, -0.0009482000000000 ] - [ 0.0055451400000000, 0.0000000000000000, 0.0006186100000000 ] - [ 0.0000049600000000, 0.0000000000000000, -0.0016480300000000 ] - [ 0.0000274600000000, 0.0000000000000000, 0.0016278200000000 ] - [ 0.0000060900000000, 0.0000000000000000, 0.0002181500000000 ] - [ 0.0000037200000000, 0.0000000000000000, -0.0002157500000000 ] - [ 0.0000011000000000, 0.0000000000000000, 0.0001289500000000 ] - [ 0.0000020800000000, 0.0000000000000000, -0.0001211800000000 ] - [ -0.0019868800000000, 0.0000000000000000, 0.0057601500000000 ] - [ -0.0019041300000000, 0.0000000000000000, -0.0057171800000000 ] - [ 0.0000815500000000, 0.0000000000000000, 0.0013595500000000 ] - [ 0.0001074200000000, 0.0000000000000000, -0.0013565900000000 ] - [ -0.0000224700000000, 0.0000000000000000, -0.0003653800000000 ] - [ -0.0000186500000000, 0.0000000000000000, 0.0003742200000000 ] - [ -0.0000014800000000, 0.0000000000000000, -0.0002958800000000 ] - [ -0.0000007300000000, 0.0000000000000000, 0.0002992500000000 ] - [ 0.0141790600000000, -0.0000389500000000, 0.0012630300000000 ] - [ -0.0098101800000000, -0.0000100100000000, 0.0012611300000000 ] - [ 0.0141790600000000, 0.0000389500000000, 0.0012630300000000 ] - [ -0.0098101800000000, 0.0000100100000000, 0.0012611300000000 ] - [ 0.0001177400000000, 0.0000045900000000, 0.0012668000000000 ] - [ -0.0001170300000000, 0.0000006400000000, 0.0012696300000000 ] - [ 0.0001177400000000, -0.0000045900000000, 0.0012668000000000 ] - [ -0.0001170300000000, -0.0000006400000000, 0.0012696300000000 ] - [ 0.0008639600000000, -0.0000051400000000, -0.0012523700000000 ] - [ -0.0008825900000000, -0.0000049300000000, -0.0012672700000000 ] - [ 0.0008639600000000, 0.0000051400000000, -0.0012523700000000 ] - [ -0.0008825900000000, 0.0000049300000000, -0.0012672700000000 ] - [ 0.0020422500000000, -0.0000065400000000, -0.0012672900000000 ] - [ -0.0019708000000000, -0.0000082300000000, -0.0012633900000000 ] - [ 0.0020422500000000, 0.0000065400000000, -0.0012672900000000 ] - [ -0.0019708000000000, 0.0000082300000000, -0.0012633900000000 ] - [ -0.0618504200000000, 0.0000000000000000, -0.0008706000000000 ] - [ 0.0049839500000000, 0.0000000000000000, -0.0011941800000000 ] - [ -0.0006571300000000, 0.0000000000000000, -0.0011733900000000 ] - [ 0.0039539900000000, 0.0000000000000000, -0.0012018200000000 ] - [ -0.0000035300000000, 0.0000000000000000, -0.0012036000000000 ] - [ 0.0000423400000000, 0.0000000000000000, -0.0012008200000000 ] - [ -0.0000804900000000, 0.0000000000000000, -0.0012025200000000 ] - [ 0.0000830100000000, 0.0000000000000000, -0.0012046200000000 ] - [ -0.0008021300000000, 0.0000000000000000, 0.0011979700000000 ] - [ 0.0014962600000000, 0.0000000000000000, 0.0012058200000000 ] - [ -0.0002885700000000, 0.0000000000000000, 0.0011979800000000 ] - [ 0.0002933300000000, 0.0000000000000000, 0.0011985500000000 ] - [ -0.0023479400000000, 0.0000000000000000, 0.0012066000000000 ] - [ 0.0056603500000000, 0.0000000000000000, 0.0011831200000000 ] - [ -0.0009038000000000, 0.0000000000000000, 0.0012049400000000 ] - [ 0.0008804000000000, 0.0000000000000000, 0.0012034800000000 ] - [ 0.0085865600000000, -0.0106912300000000, -0.0021359800000000 ] - [ 0.0085884500000000, 0.0108139700000000, -0.0002530900000000 ] - [ 0.0085865600000000, 0.0106912300000000, -0.0021359800000000 ] - [ 0.0085884500000000, -0.0108139700000000, -0.0002530900000000 ] - [ 0.0000002200000000, 0.0000210800000000, -0.0012238600000000 ] - [ 0.0000000900000000, -0.0000230700000000, -0.0011812600000000 ] - [ 0.0000002200000000, -0.0000210800000000, -0.0012238600000000 ] - [ 0.0000000900000000, 0.0000230700000000, -0.0011812600000000 ] - [ -0.0000007200000000, -0.0002672200000000, 0.0006895800000000 ] - [ -0.0000094600000000, 0.0002717400000000, 0.0017130300000000 ] - [ -0.0000007200000000, 0.0002672200000000, 0.0006895800000000 ] - [ -0.0000094600000000, -0.0002717400000000, 0.0017130300000000 ] - [ 0.0000096400000000, -0.0008057400000000, 0.0030890500000000 ] - [ 0.0000033400000000, 0.0008203000000000, -0.0006922300000000 ] - [ 0.0000096400000000, 0.0008057400000000, 0.0030890500000000 ] - [ 0.0000033400000000, -0.0008203000000000, -0.0006922300000000 ] - [ -0.0020824400000000, -0.0000070300000000, -0.0000466000000000 ] - [ 0.0017386100000000, 0.0000043400000000, 0.0000032300000000 ] - [ -0.0020824400000000, 0.0000070300000000, -0.0000466000000000 ] - [ 0.0017386100000000, -0.0000043400000000, 0.0000032300000000 ] - [ -0.0002412300000000, 0.0000005700000000, -0.0000010900000000 ] - [ 0.0002231700000000, 0.0000005100000000, -0.0000037600000000 ] - [ -0.0002412300000000, -0.0000005700000000, -0.0000010900000000 ] - [ 0.0002231700000000, -0.0000005100000000, -0.0000037600000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000262000000000, 0.0071934000000000, -0.0000168600000000 ] - [ 0.0000262000000000, 0.0071934000000000, -0.0000168600000000 ] - [ 0.0000186700000000, -0.0042817600000000, 0.0000374400000000 ] - [ -0.0000186700000000, -0.0042817600000000, 0.0000374400000000 ] - [ 0.0000016100000000, 0.0003977700000000, -0.0000051600000000 ] - [ -0.0000016100000000, 0.0003977700000000, -0.0000051600000000 ] - [ 0.0000024100000000, -0.0004054200000000, -0.0000074600000000 ] - [ -0.0000024100000000, -0.0004054200000000, -0.0000074600000000 ] - [ -0.0000335200000000, 0.0074331800000000, 0.0000465600000000 ] - [ 0.0000335200000000, 0.0074331800000000, 0.0000465600000000 ] - [ 0.0000203000000000, -0.0048840800000000, -0.0000218300000000 ] - [ -0.0000203000000000, -0.0048840800000000, -0.0000218300000000 ] - [ 0.0000001100000000, 0.0001435900000000, -0.0000092300000000 ] - [ -0.0000001100000000, 0.0001435900000000, -0.0000092300000000 ] - [ -0.0000000500000000, -0.0001499500000000, -0.0000014500000000 ] - [ 0.0000000500000000, -0.0001499500000000, -0.0000014500000000 ] - [ 0.0000000000000000, 0.0213409400000000, 0.0058164200000000 ] - [ 0.0000000000000000, 0.0001757300000000, -0.0004672800000000 ] - [ 0.0000000000000000, 0.0178625900000000, -0.0027668200000000 ] - [ 0.0000000000000000, 0.0001367000000000, 0.0029845000000000 ] - [ 0.0000000000000000, 0.0000077300000000, 0.0012308400000000 ] - [ 0.0000000000000000, -0.0000140800000000, 0.0012595400000000 ] - [ 0.0000000000000000, -0.0000041700000000, 0.0012850100000000 ] - [ 0.0000000000000000, 0.0000035300000000, 0.0012527100000000 ] - [ 0.0000000000000000, -0.0001155200000000, -0.0072029400000000 ] - [ 0.0000000000000000, -0.0000186100000000, -0.0021263600000000 ] - [ 0.0000000000000000, -0.0001269200000000, 0.0046337700000000 ] - [ 0.0000000000000000, -0.0000505300000000, -0.0004053300000000 ] - [ 0.0000000000000000, -0.0002071200000000, 0.0004463400000000 ] - [ 0.0000000000000000, -0.0000065800000000, -0.0007997300000000 ] - [ 0.0000000000000000, -0.0002554800000000, -0.0029719000000000 ] - [ 0.0000000000000000, -0.0000679400000000, -0.0017252900000000 ] - [ 0.0000000000000000, -0.1348754400000000, -0.0019250000000000 ] - [ 0.0000000000000000, -0.0066191600000000, -0.0012261000000000 ] - [ 0.0000000000000000, 0.0438578400000000, -0.0012831100000000 ] - [ 0.0000000000000000, 0.0075547600000000, -0.0012069900000000 ] - [ 0.0000000000000000, -0.0000785400000000, -0.0012021700000000 ] - [ 0.0000000000000000, -0.0000768700000000, -0.0012037000000000 ] - [ 0.0000000000000000, 0.0000785100000000, -0.0012032400000000 ] - [ 0.0000000000000000, 0.0000880300000000, -0.0012021900000000 ] - [ 0.0000000000000000, -0.0029889000000000, 0.0012081800000000 ] - [ 0.0000000000000000, -0.0008705300000000, 0.0011934800000000 ] - [ 0.0000000000000000, 0.0030826600000000, 0.0012157000000000 ] - [ 0.0000000000000000, 0.0008976300000000, 0.0012131900000000 ] - [ 0.0000000000000000, -0.0016907300000000, 0.0012364100000000 ] - [ 0.0000000000000000, 0.0001134700000000, 0.0012455000000000 ] - [ 0.0000000000000000, 0.0004632000000000, 0.0011903400000000 ] - [ 0.0000000000000000, 0.0004131400000000, 0.0011942900000000 ] - [ -0.0177884600000000, 0.0085680200000000, -0.0027696600000000 ] - [ 0.0177884600000000, 0.0085680200000000, -0.0027696600000000 ] - [ 0.0175664900000000, 0.0086066500000000, 0.0003246500000000 ] - [ -0.0175664900000000, 0.0086066500000000, 0.0003246500000000 ] - [ -0.0000021300000000, -0.0000009900000000, -0.0011859800000000 ] - [ 0.0000021300000000, -0.0000009900000000, -0.0011859800000000 ] - [ 0.0000017700000000, 0.0000012500000000, -0.0012202200000000 ] - [ -0.0000017700000000, 0.0000012500000000, -0.0012202200000000 ] - [ -0.0008822400000000, -0.0000114300000000, 0.0018138500000000 ] - [ 0.0008822400000000, -0.0000114300000000, 0.0018138500000000 ] - [ 0.0008660400000000, 0.0000016700000000, 0.0006073600000000 ] - [ -0.0008660400000000, 0.0000016700000000, 0.0006073600000000 ] - [ -0.0002277900000000, -0.0000086000000000, 0.0008824600000000 ] - [ 0.0002277900000000, -0.0000086000000000, 0.0008824600000000 ] - [ 0.0002245300000000, 0.0000212400000000, 0.0015303700000000 ] - [ -0.0002245300000000, 0.0000212400000000, 0.0015303700000000 ] - [ 0.0000000000000000, 0.0033665300000000, 0.0186079600000000 ] - [ 0.0000000000000000, -0.0000463400000000, 0.0027301900000000 ] - [ 0.0000000000000000, 0.0034599600000000, -0.0183574700000000 ] - [ 0.0000000000000000, -0.0000194100000000, -0.0027031600000000 ] - [ 0.0000000000000000, -0.0000271100000000, -0.0001688200000000 ] - [ 0.0000000000000000, 0.0000107400000000, -0.0001678000000000 ] - [ 0.0000000000000000, -0.0000206800000000, 0.0001801400000000 ] - [ 0.0000000000000000, 0.0000178900000000, 0.0001811900000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0007095000000000, 0.0000000000000000, 0.0057781100000000 ] - [ -0.0007095000000000, 0.0000000000000000, 0.0057781100000000 ] - [ 0.0002152700000000, 0.0000000000000000, 0.0034397200000000 ] - [ -0.0002152700000000, 0.0000000000000000, 0.0034397200000000 ] - [ 0.0000684200000000, 0.0000000000000000, -0.0029277300000000 ] - [ -0.0000684200000000, 0.0000000000000000, -0.0029277300000000 ] - [ 0.0001766100000000, 0.0000000000000000, -0.0024891600000000 ] - [ -0.0001766100000000, 0.0000000000000000, -0.0024891600000000 ] - [ 0.0067264900000000, 0.0000000000000000, -0.0020218200000000 ] - [ -0.0067264900000000, 0.0000000000000000, -0.0020218200000000 ] - [ 0.0015236300000000, 0.0000000000000000, 0.0009776100000000 ] - [ -0.0015236300000000, 0.0000000000000000, 0.0009776100000000 ] - [ -0.0001207700000000, 0.0000000000000000, -0.0025739000000000 ] - [ 0.0001207700000000, 0.0000000000000000, -0.0025739000000000 ] - [ -0.0000699000000000, 0.0000000000000000, -0.0014911900000000 ] - [ 0.0000699000000000, 0.0000000000000000, -0.0014911900000000 ] - [ 0.0000000000000000, 0.0029184500000000, 0.0205261200000000 ] - [ 0.0000000000000000, 0.0011618800000000, 0.0043126500000000 ] - [ 0.0000000000000000, -0.0029184500000000, 0.0205261200000000 ] - [ 0.0000000000000000, -0.0011618800000000, 0.0043126500000000 ] - [ 0.0000000000000000, 0.0000352300000000, -0.0009013800000000 ] - [ 0.0000000000000000, 0.0000358100000000, -0.0007568900000000 ] - [ 0.0000000000000000, -0.0000352300000000, -0.0009013800000000 ] - [ 0.0000000000000000, -0.0000358100000000, -0.0007568900000000 ] - [ 0.0000000000000000, -0.0004756300000000, -0.0049648800000000 ] - [ 0.0000000000000000, -0.0011695500000000, -0.0016995100000000 ] - [ 0.0000000000000000, 0.0004756300000000, -0.0049648800000000 ] - [ 0.0000000000000000, 0.0011695500000000, -0.0016995100000000 ] - [ 0.0000000000000000, 0.0036935400000000, -0.0039363500000000 ] - [ 0.0000000000000000, 0.0029070300000000, -0.0023940900000000 ] - [ 0.0000000000000000, -0.0036935400000000, -0.0039363500000000 ] - [ 0.0000000000000000, -0.0029070300000000, -0.0023940900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0364578800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0071575800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0050330100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0025052000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005774600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005202000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002430500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0001940300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0036736400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0038250800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0030542700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020610300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0073204300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0068873000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003981900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002838800000000 ] - [ -0.0014985100000000, -0.0009673000000000, -0.0074926200000000 ] - [ 0.0014985100000000, -0.0009673000000000, -0.0074926200000000 ] - [ -0.0014985100000000, 0.0009673000000000, -0.0074926200000000 ] - [ 0.0014985100000000, 0.0009673000000000, -0.0074926200000000 ] - [ 0.0000166000000000, -0.0000214200000000, 0.0003274400000000 ] - [ -0.0000166000000000, -0.0000214200000000, 0.0003274400000000 ] - [ 0.0000166000000000, 0.0000214200000000, 0.0003274400000000 ] - [ -0.0000166000000000, 0.0000214200000000, 0.0003274400000000 ] - [ -0.0006039400000000, 0.0005136600000000, 0.0025838200000000 ] - [ 0.0006039400000000, 0.0005136600000000, 0.0025838200000000 ] - [ -0.0006039400000000, -0.0005136600000000, 0.0025838200000000 ] - [ 0.0006039400000000, -0.0005136600000000, 0.0025838200000000 ] - [ 0.0003212600000000, -0.0018828600000000, 0.0019877400000000 ] - [ -0.0003212600000000, -0.0018828600000000, 0.0019877400000000 ] - [ 0.0003212600000000, 0.0018828600000000, 0.0019877400000000 ] - [ -0.0003212600000000, 0.0018828600000000, 0.0019877400000000 ] - [ 0.0000000000000000, 0.0084877700000000, 0.0040443600000000 ] - [ 0.0000000000000000, 0.0009395200000000, -0.0019453900000000 ] - [ 0.0000000000000000, -0.0084877700000000, 0.0040443600000000 ] - [ 0.0000000000000000, -0.0009395200000000, -0.0019453900000000 ] - [ 0.0000000000000000, -0.0004577800000000, 0.0027820300000000 ] - [ 0.0000000000000000, -0.0004074700000000, 0.0024865200000000 ] - [ 0.0000000000000000, 0.0004577800000000, 0.0027820300000000 ] - [ 0.0000000000000000, 0.0004074700000000, 0.0024865200000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0009799300000000, 0.0000000000000000, -0.0060230400000000 ] - [ 0.0009799300000000, 0.0000000000000000, -0.0060230400000000 ] - [ -0.0002153000000000, 0.0000000000000000, -0.0034928900000000 ] - [ 0.0002153000000000, 0.0000000000000000, -0.0034928900000000 ] - [ -0.0000678000000000, 0.0000000000000000, 0.0029319300000000 ] - [ 0.0000678000000000, 0.0000000000000000, 0.0029319300000000 ] - [ -0.0001746800000000, 0.0000000000000000, 0.0024972400000000 ] - [ 0.0001746800000000, 0.0000000000000000, 0.0024972400000000 ] - [ -0.0067689800000000, 0.0000000000000000, 0.0021186400000000 ] - [ 0.0067689800000000, 0.0000000000000000, 0.0021186400000000 ] - [ -0.0015272500000000, 0.0000000000000000, -0.0009445800000000 ] - [ 0.0015272500000000, 0.0000000000000000, -0.0009445800000000 ] - [ 0.0001236100000000, 0.0000000000000000, 0.0025840900000000 ] - [ -0.0001236100000000, 0.0000000000000000, 0.0025840900000000 ] - [ 0.0000713500000000, 0.0000000000000000, 0.0014918100000000 ] - [ -0.0000713500000000, 0.0000000000000000, 0.0014918100000000 ] - [ 0.0000000000000000, -0.0029413800000000, -0.0180842200000000 ] - [ 0.0000000000000000, -0.0011844400000000, -0.0017646200000000 ] - [ 0.0000000000000000, 0.0029413800000000, -0.0180842200000000 ] - [ 0.0000000000000000, 0.0011844400000000, -0.0017646200000000 ] - [ 0.0000000000000000, -0.0000348300000000, 0.0034375400000000 ] - [ 0.0000000000000000, -0.0000350900000000, 0.0032970900000000 ] - [ 0.0000000000000000, 0.0000348300000000, 0.0034375400000000 ] - [ 0.0000000000000000, 0.0000350900000000, 0.0032970900000000 ] - [ 0.0000000000000000, 0.0004728800000000, 0.0024360800000000 ] - [ 0.0000000000000000, 0.0011590400000000, -0.0008218800000000 ] - [ 0.0000000000000000, -0.0004728800000000, 0.0024360800000000 ] - [ 0.0000000000000000, -0.0011590400000000, -0.0008218800000000 ] - [ 0.0000000000000000, -0.0037340000000000, 0.0014216800000000 ] - [ 0.0000000000000000, -0.0029267500000000, -0.0001397600000000 ] - [ 0.0000000000000000, 0.0037340000000000, 0.0014216800000000 ] - [ 0.0000000000000000, 0.0029267500000000, -0.0001397600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0344198100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047615800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0026704000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0000873500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030012400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0029436600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026682500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0026197200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012512300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0013914200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006343700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003542300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0049619500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0045061400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0020374500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0021544200000000 ] - [ 0.0015945300000000, 0.0009135900000000, 0.0050936400000000 ] - [ -0.0015945300000000, 0.0009135900000000, 0.0050936400000000 ] - [ 0.0015945300000000, -0.0009135900000000, 0.0050936400000000 ] - [ -0.0015945300000000, -0.0009135900000000, 0.0050936400000000 ] - [ -0.0000168600000000, 0.0000215100000000, -0.0027462600000000 ] - [ 0.0000168600000000, 0.0000215100000000, -0.0027462600000000 ] - [ -0.0000168600000000, -0.0000215100000000, -0.0027462600000000 ] - [ 0.0000168600000000, -0.0000215100000000, -0.0027462600000000 ] - [ 0.0006028200000000, -0.0005090000000000, -0.0001706100000000 ] - [ -0.0006028200000000, -0.0005090000000000, -0.0001706100000000 ] - [ 0.0006028200000000, 0.0005090000000000, -0.0001706100000000 ] - [ -0.0006028200000000, 0.0005090000000000, -0.0001706100000000 ] - [ -0.0003263800000000, 0.0018977100000000, 0.0004331800000000 ] - [ 0.0003263800000000, 0.0018977100000000, 0.0004331800000000 ] - [ -0.0003263800000000, -0.0018977100000000, 0.0004331800000000 ] - [ 0.0003263800000000, -0.0018977100000000, 0.0004331800000000 ] - [ 0.0000000000000000, -0.0083853100000000, -0.0040554100000000 ] - [ 0.0000000000000000, -0.0009260900000000, 0.0019146600000000 ] - [ 0.0000000000000000, 0.0083853100000000, -0.0040554100000000 ] - [ 0.0000000000000000, 0.0009260900000000, 0.0019146600000000 ] - [ 0.0000000000000000, 0.0004634000000000, -0.0027895900000000 ] - [ 0.0000000000000000, 0.0004106100000000, -0.0024882700000000 ] - [ 0.0000000000000000, -0.0004634000000000, -0.0027895900000000 ] - [ 0.0000000000000000, -0.0004106100000000, -0.0024882700000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000148500000000, -0.0004761900000000, -0.0008618800000000 ] - [ -0.0000032300000000, 0.0004742000000000, 0.0008616200000000 ] - [ -0.0000148500000000, 0.0004761900000000, -0.0008618800000000 ] - [ -0.0000032300000000, -0.0004742000000000, 0.0008616200000000 ] - [ -0.0000148500000000, -0.0004761900000000, 0.0008618800000000 ] - [ -0.0000032300000000, 0.0004742000000000, -0.0008616200000000 ] - [ -0.0000148500000000, 0.0004761900000000, 0.0008618800000000 ] - [ -0.0000032300000000, -0.0004742000000000, -0.0008616200000000 ] - [ -0.0005643000000000, -0.0033822300000000, 0.0000000000000000 ] - [ -0.0004135200000000, 0.0032556100000000, 0.0000000000000000 ] - [ -0.0005643000000000, 0.0033822300000000, 0.0000000000000000 ] - [ -0.0004135200000000, -0.0032556100000000, 0.0000000000000000 ] - [ 0.0000017400000000, -0.0000111700000000, 0.0000000000000000 ] - [ 0.0000017900000000, 0.0000105700000000, 0.0000000000000000 ] - [ 0.0000017400000000, 0.0000111700000000, 0.0000000000000000 ] - [ 0.0000017900000000, -0.0000105700000000, 0.0000000000000000 ] - [ 0.0158112300000000, 0.0000000000000000, 0.0015405300000000 ] - [ -0.0064666600000000, 0.0000000000000000, 0.0012744400000000 ] - [ 0.0019474700000000, 0.0000000000000000, 0.0012829500000000 ] - [ -0.0019632000000000, 0.0000000000000000, 0.0012816300000000 ] - [ 0.0005072100000000, 0.0000000000000000, 0.0012676500000000 ] - [ -0.0005072000000000, 0.0000000000000000, 0.0012683100000000 ] - [ 0.0004027500000000, 0.0000000000000000, 0.0012715700000000 ] - [ -0.0004069700000000, 0.0000000000000000, 0.0012681200000000 ] - [ 0.0158112300000000, 0.0000000000000000, -0.0015405300000000 ] - [ -0.0064666600000000, 0.0000000000000000, -0.0012744400000000 ] - [ 0.0019474700000000, 0.0000000000000000, -0.0012829500000000 ] - [ -0.0019632000000000, 0.0000000000000000, -0.0012816300000000 ] - [ 0.0005072100000000, 0.0000000000000000, -0.0012676500000000 ] - [ -0.0005072000000000, 0.0000000000000000, -0.0012683100000000 ] - [ 0.0004027500000000, 0.0000000000000000, -0.0012715700000000 ] - [ -0.0004069700000000, 0.0000000000000000, -0.0012681200000000 ] - [ -0.0020821800000000, 0.0000415100000000, -0.0011891400000000 ] - [ 0.0017378500000000, -0.0000007800000000, -0.0012122600000000 ] - [ -0.0020821800000000, -0.0000415100000000, -0.0011891400000000 ] - [ 0.0017378500000000, 0.0000007800000000, -0.0012122600000000 ] - [ -0.0002416600000000, 0.0000009900000000, -0.0012065100000000 ] - [ 0.0002236100000000, -0.0000009000000000, -0.0012057900000000 ] - [ -0.0002416600000000, -0.0000009900000000, -0.0012065100000000 ] - [ 0.0002236100000000, 0.0000009000000000, -0.0012057900000000 ] - [ -0.0020821800000000, 0.0000415100000000, 0.0011891400000000 ] - [ 0.0017378500000000, -0.0000007800000000, 0.0012122600000000 ] - [ -0.0020821800000000, -0.0000415100000000, 0.0011891400000000 ] - [ 0.0017378500000000, 0.0000007800000000, 0.0012122600000000 ] - [ -0.0002416600000000, 0.0000009900000000, 0.0012065100000000 ] - [ 0.0002236100000000, -0.0000009000000000, 0.0012057900000000 ] - [ -0.0002416600000000, -0.0000009900000000, 0.0012065100000000 ] - [ 0.0002236100000000, 0.0000009000000000, 0.0012057900000000 ] - [ 0.0034232800000000, 0.0000000000000000, 0.0071893700000000 ] - [ 0.0034039300000000, 0.0000000000000000, -0.0096839000000000 ] - [ -0.0000227400000000, 0.0000000000000000, -0.0002812300000000 ] - [ -0.0000429800000000, 0.0000000000000000, -0.0021464000000000 ] - [ -0.0000222100000000, 0.0000000000000000, -0.0016636500000000 ] - [ -0.0000258300000000, 0.0000000000000000, -0.0007429600000000 ] - [ 0.0000138900000000, 0.0000000000000000, -0.0016137400000000 ] - [ 0.0000144600000000, 0.0000000000000000, -0.0007952600000000 ] - [ 0.0034232800000000, 0.0000000000000000, -0.0071893700000000 ] - [ 0.0034039300000000, 0.0000000000000000, 0.0096839000000000 ] - [ -0.0000227400000000, 0.0000000000000000, 0.0002812300000000 ] - [ -0.0000429800000000, 0.0000000000000000, 0.0021464000000000 ] - [ -0.0000222100000000, 0.0000000000000000, 0.0016636500000000 ] - [ -0.0000258300000000, 0.0000000000000000, 0.0007429600000000 ] - [ 0.0000138900000000, 0.0000000000000000, 0.0016137400000000 ] - [ 0.0000144600000000, 0.0000000000000000, 0.0007952600000000 ] - [ -0.0356076800000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0037179000000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0026247700000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0058673500000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001576000000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001253600000000, 0.0000000000000000, 0.0000000000000000 ] - [ -0.0001054400000000, 0.0000000000000000, 0.0000000000000000 ] - [ 0.0001224800000000, 0.0000000000000000, 0.0000000000000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0021171000000000, -0.0021171000000000, -0.0045410400000000 ] - [ 0.0021171000000000, -0.0021171000000000, -0.0045410400000000 ] - [ -0.0021171000000000, 0.0021171000000000, -0.0045410400000000 ] - [ 0.0021171000000000, 0.0021171000000000, -0.0045410400000000 ] - [ 0.0021453200000000, 0.0021453200000000, -0.0045486800000000 ] - [ -0.0021453200000000, 0.0021453200000000, -0.0045486800000000 ] - [ 0.0021453200000000, -0.0021453200000000, -0.0045486800000000 ] - [ -0.0021453200000000, -0.0021453200000000, -0.0045486800000000 ] - [ -0.0000365500000000, -0.0000365500000000, 0.0127195100000000 ] - [ 0.0000365500000000, -0.0000365500000000, 0.0127195100000000 ] - [ -0.0000365500000000, 0.0000365500000000, 0.0127195100000000 ] - [ 0.0000365500000000, 0.0000365500000000, 0.0127195100000000 ] - [ 0.0000005900000000, 0.0000005900000000, -0.0034237100000000 ] - [ -0.0000005900000000, 0.0000005900000000, -0.0034237100000000 ] - [ 0.0000005900000000, -0.0000005900000000, -0.0034237100000000 ] - [ -0.0000005900000000, -0.0000005900000000, -0.0034237100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1055996400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0083490400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0083490400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0052694500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0030326900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023074500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0023074500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0016396900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.1098523100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0058782400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0058782400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0028278600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0055328800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0048243600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0048243600000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0041675700000000 ] - [ 0.0000000000000000, 0.0183787600000000, 0.0028819200000000 ] - [ 0.0000000000000000, 0.0027036700000000, -0.0031183000000000 ] - [ 0.0000000000000000, -0.0183787600000000, 0.0028819200000000 ] - [ 0.0000000000000000, -0.0027036700000000, -0.0031183000000000 ] - [ 0.0000000000000000, -0.0001765500000000, 0.0015815300000000 ] - [ 0.0000000000000000, -0.0001757700000000, 0.0012799700000000 ] - [ 0.0000000000000000, 0.0001765500000000, 0.0015815300000000 ] - [ 0.0000000000000000, 0.0001757700000000, 0.0012799700000000 ] - [ 0.0000000000000000, -0.0185865900000000, 0.0052212600000000 ] - [ 0.0000000000000000, -0.0027310900000000, -0.0007430500000000 ] - [ 0.0000000000000000, 0.0185865900000000, 0.0052212600000000 ] - [ 0.0000000000000000, 0.0027310900000000, -0.0007430500000000 ] - [ 0.0000000000000000, 0.0001735800000000, 0.0039909200000000 ] - [ 0.0000000000000000, 0.0001731900000000, 0.0036968800000000 ] - [ 0.0000000000000000, -0.0001735800000000, 0.0039909200000000 ] - [ 0.0000000000000000, -0.0001731900000000, 0.0036968800000000 ] - [ 0.0183787600000000, 0.0000000000000000, 0.0028819200000000 ] - [ -0.0183787600000000, 0.0000000000000000, 0.0028819200000000 ] - [ 0.0027036700000000, 0.0000000000000000, -0.0031183000000000 ] - [ -0.0027036700000000, 0.0000000000000000, -0.0031183000000000 ] - [ -0.0001765500000000, 0.0000000000000000, 0.0015815300000000 ] - [ 0.0001765500000000, 0.0000000000000000, 0.0015815300000000 ] - [ -0.0001757700000000, 0.0000000000000000, 0.0012799700000000 ] - [ 0.0001757700000000, 0.0000000000000000, 0.0012799700000000 ] - [ -0.0185865900000000, 0.0000000000000000, 0.0052212600000000 ] - [ 0.0185865900000000, 0.0000000000000000, 0.0052212600000000 ] - [ -0.0027310900000000, 0.0000000000000000, -0.0007430500000000 ] - [ 0.0027310900000000, 0.0000000000000000, -0.0007430500000000 ] - [ 0.0001735800000000, 0.0000000000000000, 0.0039909200000000 ] - [ -0.0001735800000000, 0.0000000000000000, 0.0039909200000000 ] - [ 0.0001731900000000, 0.0000000000000000, 0.0036968800000000 ] - [ -0.0001731900000000, 0.0000000000000000, 0.0036968800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.2677990900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0132303100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0132303100000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0071079800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0047841300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045108600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0045108600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0042056600000000 ]