# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/de5a62db-e876-4bf8-8b3c-f2e9dd13fa92/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 Sm10S19 / P4_2/n (86) / materials id 10534](https://mdr.nims.go.jp/datasets/dcf4378c-f413-4475-8bc4-adebafe3063e) ## 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: "P4_2/n" number: 86 Hall_symbol: "P 4n -1n"supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 8.703922530000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.703922530000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 15.850846480000000 ] # c points: - symbol: S # 1 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 32.065000 - symbol: S # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 32.065000 - symbol: S # 3 coordinates: [ 0.559167030000000, 0.219819570000000, 0.500942450000000 ] mass: 32.065000 - symbol: S # 4 coordinates: [ 0.280180430000000, 0.059167030000000, 0.000942450000000 ] mass: 32.065000 - symbol: S # 5 coordinates: [ 0.719819570000000, 0.940832970000000, 0.000942450000000 ] mass: 32.065000 - symbol: S # 6 coordinates: [ 0.440832970000000, 0.780180430000000, 0.500942450000000 ] mass: 32.065000 - symbol: S # 7 coordinates: [ 0.940832970000000, 0.280180430000000, 0.999057550000000 ] mass: 32.065000 - symbol: S # 8 coordinates: [ 0.219819570000000, 0.440832970000000, 0.499057550000000 ] mass: 32.065000 - symbol: S # 9 coordinates: [ 0.780180430000000, 0.559167030000000, 0.499057550000000 ] mass: 32.065000 - symbol: S # 10 coordinates: [ 0.059167030000000, 0.719819570000000, 0.999057550000000 ] mass: 32.065000 - symbol: S # 11 coordinates: [ 0.637264260000000, 0.176103280000000, 0.999752540000000 ] mass: 32.065000 - symbol: S # 12 coordinates: [ 0.323896720000000, 0.137264260000000, 0.499752540000000 ] mass: 32.065000 - symbol: S # 13 coordinates: [ 0.676103280000000, 0.862735740000000, 0.499752540000000 ] mass: 32.065000 - symbol: S # 14 coordinates: [ 0.362735740000000, 0.823896720000000, 0.999752540000000 ] mass: 32.065000 - symbol: S # 15 coordinates: [ 0.862735740000000, 0.323896720000000, 0.500247460000000 ] mass: 32.065000 - symbol: S # 16 coordinates: [ 0.176103280000000, 0.362735740000000, 0.000247460000000 ] mass: 32.065000 - symbol: S # 17 coordinates: [ 0.823896720000000, 0.637264260000000, 0.000247460000000 ] mass: 32.065000 - symbol: S # 18 coordinates: [ 0.137264260000000, 0.676103280000000, 0.500247460000000 ] mass: 32.065000 - symbol: S # 19 coordinates: [ 0.000000000000000, 0.500000000000000, 0.184767520000000 ] mass: 32.065000 - symbol: S # 20 coordinates: [ 0.000000000000000, 0.500000000000000, 0.684767520000000 ] mass: 32.065000 - symbol: S # 21 coordinates: [ 0.302324670000000, 0.602038050000000, 0.312272580000000 ] mass: 32.065000 - symbol: S # 22 coordinates: [ 0.897961950000000, 0.802324670000000, 0.812272580000000 ] mass: 32.065000 - symbol: S # 23 coordinates: [ 0.102038050000000, 0.197675330000000, 0.812272580000000 ] mass: 32.065000 - symbol: S # 24 coordinates: [ 0.697675330000000, 0.397961950000000, 0.312272580000000 ] mass: 32.065000 - symbol: S # 25 coordinates: [ 0.197675330000000, 0.897961950000000, 0.187727420000000 ] mass: 32.065000 - symbol: S # 26 coordinates: [ 0.602038050000000, 0.697675330000000, 0.687727420000000 ] mass: 32.065000 - symbol: S # 27 coordinates: [ 0.397961950000000, 0.302324670000000, 0.687727420000000 ] mass: 32.065000 - symbol: S # 28 coordinates: [ 0.802324670000000, 0.102038050000000, 0.187727420000000 ] mass: 32.065000 - symbol: S # 29 coordinates: [ 0.299699590000000, 0.597444890000000, 0.823136480000000 ] mass: 32.065000 - symbol: S # 30 coordinates: [ 0.902555110000000, 0.799699590000000, 0.323136480000000 ] mass: 32.065000 - symbol: S # 31 coordinates: [ 0.097444890000000, 0.200300410000000, 0.323136480000000 ] mass: 32.065000 - symbol: S # 32 coordinates: [ 0.700300410000000, 0.402555110000000, 0.823136480000000 ] mass: 32.065000 - symbol: S # 33 coordinates: [ 0.200300410000000, 0.902555110000000, 0.676863520000000 ] mass: 32.065000 - symbol: S # 34 coordinates: [ 0.597444890000000, 0.700300410000000, 0.176863520000000 ] mass: 32.065000 - symbol: S # 35 coordinates: [ 0.402555110000000, 0.299699590000000, 0.176863520000000 ] mass: 32.065000 - symbol: S # 36 coordinates: [ 0.799699590000000, 0.097444890000000, 0.676863520000000 ] mass: 32.065000 - symbol: S # 37 coordinates: [ 0.500000000000000, 0.000000000000000, 0.815232480000000 ] mass: 32.065000 - symbol: S # 38 coordinates: [ 0.500000000000000, 0.000000000000000, 0.315232480000000 ] mass: 32.065000 - symbol: Sm # 39 coordinates: [ 0.805108060000000, 0.103984450000000, 0.853950550000000 ] mass: 150.360000 - symbol: Sm # 40 coordinates: [ 0.396015550000000, 0.305108060000000, 0.353950550000000 ] mass: 150.360000 - symbol: Sm # 41 coordinates: [ 0.603984450000000, 0.694891940000000, 0.353950550000000 ] mass: 150.360000 - symbol: Sm # 42 coordinates: [ 0.194891940000000, 0.896015550000000, 0.853950550000000 ] mass: 150.360000 - symbol: Sm # 43 coordinates: [ 0.694891940000000, 0.396015550000000, 0.646049450000000 ] mass: 150.360000 - symbol: Sm # 44 coordinates: [ 0.103984450000000, 0.194891940000000, 0.146049450000000 ] mass: 150.360000 - symbol: Sm # 45 coordinates: [ 0.896015550000000, 0.805108060000000, 0.146049450000000 ] mass: 150.360000 - symbol: Sm # 46 coordinates: [ 0.305108060000000, 0.603984450000000, 0.646049450000000 ] mass: 150.360000 - symbol: Sm # 47 coordinates: [ 0.790954190000000, 0.097945520000000, 0.371923270000000 ] mass: 150.360000 - symbol: Sm # 48 coordinates: [ 0.402054480000000, 0.290954190000000, 0.871923270000000 ] mass: 150.360000 - symbol: Sm # 49 coordinates: [ 0.597945520000000, 0.709045810000000, 0.871923270000000 ] mass: 150.360000 - symbol: Sm # 50 coordinates: [ 0.209045810000000, 0.902054480000000, 0.371923270000000 ] mass: 150.360000 - symbol: Sm # 51 coordinates: [ 0.709045810000000, 0.402054480000000, 0.128076730000000 ] mass: 150.360000 - symbol: Sm # 52 coordinates: [ 0.097945520000000, 0.209045810000000, 0.628076730000000 ] mass: 150.360000 - symbol: Sm # 53 coordinates: [ 0.902054480000000, 0.790954190000000, 0.628076730000000 ] mass: 150.360000 - symbol: Sm # 54 coordinates: [ 0.290954190000000, 0.597945520000000, 0.128076730000000 ] mass: 150.360000 - symbol: Sm # 55 coordinates: [ 0.500000000000000, 0.000000000000000, 0.134593120000000 ] mass: 150.360000 - symbol: Sm # 56 coordinates: [ 0.500000000000000, 0.000000000000000, 0.634593120000000 ] mass: 150.360000 - symbol: Sm # 57 coordinates: [ 0.000000000000000, 0.500000000000000, 0.365406880000000 ] mass: 150.360000 - symbol: Sm # 58 coordinates: [ 0.000000000000000, 0.500000000000000, 0.865406880000000 ] mass: 150.360000 reciprocal_lattice: # without 2pi - [ 0.114890728467915, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.114890728467915, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.063088113386358 ] # c*unit_cell: lattice: - [ 8.703922530000000, -0.000000000000000, -0.000000000000000 ] # a - [ 0.000000000000000, 8.703922530000000, -0.000000000000000 ] # b - [ 0.000000000000000, -0.000000000000000, 15.850846480000000 ] # c points: - symbol: S # 1 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 32.065000 reduced_to: 2 - symbol: S # 3 coordinates: [ 0.559167030000000, 0.219819570000000, 0.500942450000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 4 coordinates: [ 0.280180430000000, 0.059167030000000, 0.000942450000000 ] mass: 32.065000 reduced_to: 4 - symbol: S # 5 coordinates: [ 0.719819570000000, 0.940832970000000, 0.000942450000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 6 coordinates: [ 0.440832970000000, 0.780180430000000, 0.500942450000000 ] mass: 32.065000 reduced_to: 6 - symbol: S # 7 coordinates: [ 0.940832970000000, 0.280180430000000, 0.999057550000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 8 coordinates: [ 0.219819570000000, 0.440832970000000, 0.499057550000000 ] mass: 32.065000 reduced_to: 8 - symbol: S # 9 coordinates: [ 0.780180430000000, 0.559167030000000, 0.499057550000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 10 coordinates: [ 0.059167030000000, 0.719819570000000, 0.999057550000000 ] mass: 32.065000 reduced_to: 10 - symbol: S # 11 coordinates: [ 0.637264260000000, 0.176103280000000, 0.999752540000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 12 coordinates: [ 0.323896720000000, 0.137264260000000, 0.499752540000000 ] mass: 32.065000 reduced_to: 12 - symbol: S # 13 coordinates: [ 0.676103280000000, 0.862735740000000, 0.499752540000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 14 coordinates: [ 0.362735740000000, 0.823896720000000, 0.999752540000000 ] mass: 32.065000 reduced_to: 14 - symbol: S # 15 coordinates: [ 0.862735740000000, 0.323896720000000, 0.500247460000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 16 coordinates: [ 0.176103280000000, 0.362735740000000, 0.000247460000000 ] mass: 32.065000 reduced_to: 16 - symbol: S # 17 coordinates: [ 0.823896720000000, 0.637264260000000, 0.000247460000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 18 coordinates: [ 0.137264260000000, 0.676103280000000, 0.500247460000000 ] mass: 32.065000 reduced_to: 18 - symbol: S # 19 coordinates: [ 0.000000000000000, 0.500000000000000, 0.184767520000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 20 coordinates: [ 0.000000000000000, 0.500000000000000, 0.684767520000000 ] mass: 32.065000 reduced_to: 20 - symbol: S # 21 coordinates: [ 0.302324670000000, 0.602038050000000, 0.312272580000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 22 coordinates: [ 0.897961950000000, 0.802324670000000, 0.812272580000000 ] mass: 32.065000 reduced_to: 22 - symbol: S # 23 coordinates: [ 0.102038050000000, 0.197675330000000, 0.812272580000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 24 coordinates: [ 0.697675330000000, 0.397961950000000, 0.312272580000000 ] mass: 32.065000 reduced_to: 24 - symbol: S # 25 coordinates: [ 0.197675330000000, 0.897961950000000, 0.187727420000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 26 coordinates: [ 0.602038050000000, 0.697675330000000, 0.687727420000000 ] mass: 32.065000 reduced_to: 26 - symbol: S # 27 coordinates: [ 0.397961950000000, 0.302324670000000, 0.687727420000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 28 coordinates: [ 0.802324670000000, 0.102038050000000, 0.187727420000000 ] mass: 32.065000 reduced_to: 28 - symbol: S # 29 coordinates: [ 0.299699590000000, 0.597444890000000, 0.823136480000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 30 coordinates: [ 0.902555110000000, 0.799699590000000, 0.323136480000000 ] mass: 32.065000 reduced_to: 30 - symbol: S # 31 coordinates: [ 0.097444890000000, 0.200300410000000, 0.323136480000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 32 coordinates: [ 0.700300410000000, 0.402555110000000, 0.823136480000000 ] mass: 32.065000 reduced_to: 32 - symbol: S # 33 coordinates: [ 0.200300410000000, 0.902555110000000, 0.676863520000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 34 coordinates: [ 0.597444890000000, 0.700300410000000, 0.176863520000000 ] mass: 32.065000 reduced_to: 34 - symbol: S # 35 coordinates: [ 0.402555110000000, 0.299699590000000, 0.176863520000000 ] mass: 32.065000 reduced_to: 35 - symbol: S # 36 coordinates: [ 0.799699590000000, 0.097444890000000, 0.676863520000000 ] mass: 32.065000 reduced_to: 36 - symbol: S # 37 coordinates: [ 0.500000000000000, 0.000000000000000, 0.815232480000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 38 coordinates: [ 0.500000000000000, 0.000000000000000, 0.315232480000000 ] mass: 32.065000 reduced_to: 38 - symbol: Sm # 39 coordinates: [ 0.805108060000000, 0.103984450000000, 0.853950550000000 ] mass: 150.360000 reduced_to: 39 - symbol: Sm # 40 coordinates: [ 0.396015550000000, 0.305108060000000, 0.353950550000000 ] mass: 150.360000 reduced_to: 40 - symbol: Sm # 41 coordinates: [ 0.603984450000000, 0.694891940000000, 0.353950550000000 ] mass: 150.360000 reduced_to: 41 - symbol: Sm # 42 coordinates: [ 0.194891940000000, 0.896015550000000, 0.853950550000000 ] mass: 150.360000 reduced_to: 42 - symbol: Sm # 43 coordinates: [ 0.694891940000000, 0.396015550000000, 0.646049450000000 ] mass: 150.360000 reduced_to: 43 - symbol: Sm # 44 coordinates: [ 0.103984450000000, 0.194891940000000, 0.146049450000000 ] mass: 150.360000 reduced_to: 44 - symbol: Sm # 45 coordinates: [ 0.896015550000000, 0.805108060000000, 0.146049450000000 ] mass: 150.360000 reduced_to: 45 - symbol: Sm # 46 coordinates: [ 0.305108060000000, 0.603984450000000, 0.646049450000000 ] mass: 150.360000 reduced_to: 46 - symbol: Sm # 47 coordinates: [ 0.790954190000000, 0.097945520000000, 0.371923270000000 ] mass: 150.360000 reduced_to: 47 - symbol: Sm # 48 coordinates: [ 0.402054480000000, 0.290954190000000, 0.871923270000000 ] mass: 150.360000 reduced_to: 48 - symbol: Sm # 49 coordinates: [ 0.597945520000000, 0.709045810000000, 0.871923270000000 ] mass: 150.360000 reduced_to: 49 - symbol: Sm # 50 coordinates: [ 0.209045810000000, 0.902054480000000, 0.371923270000000 ] mass: 150.360000 reduced_to: 50 - symbol: Sm # 51 coordinates: [ 0.709045810000000, 0.402054480000000, 0.128076730000000 ] mass: 150.360000 reduced_to: 51 - symbol: Sm # 52 coordinates: [ 0.097945520000000, 0.209045810000000, 0.628076730000000 ] mass: 150.360000 reduced_to: 52 - symbol: Sm # 53 coordinates: [ 0.902054480000000, 0.790954190000000, 0.628076730000000 ] mass: 150.360000 reduced_to: 53 - symbol: Sm # 54 coordinates: [ 0.290954190000000, 0.597945520000000, 0.128076730000000 ] mass: 150.360000 reduced_to: 54 - symbol: Sm # 55 coordinates: [ 0.500000000000000, 0.000000000000000, 0.134593120000000 ] mass: 150.360000 reduced_to: 55 - symbol: Sm # 56 coordinates: [ 0.500000000000000, 0.000000000000000, 0.634593120000000 ] mass: 150.360000 reduced_to: 56 - symbol: Sm # 57 coordinates: [ 0.000000000000000, 0.500000000000000, 0.365406880000000 ] mass: 150.360000 reduced_to: 57 - symbol: Sm # 58 coordinates: [ 0.000000000000000, 0.500000000000000, 0.865406880000000 ] mass: 150.360000 reduced_to: 58supercell: lattice: - [ 8.703922530000000, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 8.703922530000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 15.850846480000000 ] # c points: - symbol: S # 1 coordinates: [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.000000000000000, 0.000000000000000, 0.500000000000000 ] mass: 32.065000 reduced_to: 2 - symbol: S # 3 coordinates: [ 0.559167030000000, 0.219819570000000, 0.500942450000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 4 coordinates: [ 0.280180430000000, 0.059167030000000, 0.000942450000000 ] mass: 32.065000 reduced_to: 4 - symbol: S # 5 coordinates: [ 0.719819570000000, 0.940832970000000, 0.000942450000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 6 coordinates: [ 0.440832970000000, 0.780180430000000, 0.500942450000000 ] mass: 32.065000 reduced_to: 6 - symbol: S # 7 coordinates: [ 0.940832970000000, 0.280180430000000, 0.999057550000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 8 coordinates: [ 0.219819570000000, 0.440832970000000, 0.499057550000000 ] mass: 32.065000 reduced_to: 8 - symbol: S # 9 coordinates: [ 0.780180430000000, 0.559167030000000, 0.499057550000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 10 coordinates: [ 0.059167030000000, 0.719819570000000, 0.999057550000000 ] mass: 32.065000 reduced_to: 10 - symbol: S # 11 coordinates: [ 0.637264260000000, 0.176103280000000, 0.999752540000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 12 coordinates: [ 0.323896720000000, 0.137264260000000, 0.499752540000000 ] mass: 32.065000 reduced_to: 12 - symbol: S # 13 coordinates: [ 0.676103280000000, 0.862735740000000, 0.499752540000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 14 coordinates: [ 0.362735740000000, 0.823896720000000, 0.999752540000000 ] mass: 32.065000 reduced_to: 14 - symbol: S # 15 coordinates: [ 0.862735740000000, 0.323896720000000, 0.500247460000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 16 coordinates: [ 0.176103280000000, 0.362735740000000, 0.000247460000000 ] mass: 32.065000 reduced_to: 16 - symbol: S # 17 coordinates: [ 0.823896720000000, 0.637264260000000, 0.000247460000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 18 coordinates: [ 0.137264260000000, 0.676103280000000, 0.500247460000000 ] mass: 32.065000 reduced_to: 18 - symbol: S # 19 coordinates: [ 0.000000000000000, 0.500000000000000, 0.184767520000000 ] mass: 32.065000 reduced_to: 19 - symbol: S # 20 coordinates: [ 0.000000000000000, 0.500000000000000, 0.684767520000000 ] mass: 32.065000 reduced_to: 20 - symbol: S # 21 coordinates: [ 0.302324670000000, 0.602038050000000, 0.312272580000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 22 coordinates: [ 0.897961950000000, 0.802324670000000, 0.812272580000000 ] mass: 32.065000 reduced_to: 22 - symbol: S # 23 coordinates: [ 0.102038050000000, 0.197675330000000, 0.812272580000000 ] mass: 32.065000 reduced_to: 23 - symbol: S # 24 coordinates: [ 0.697675330000000, 0.397961950000000, 0.312272580000000 ] mass: 32.065000 reduced_to: 24 - symbol: S # 25 coordinates: [ 0.197675330000000, 0.897961950000000, 0.187727420000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 26 coordinates: [ 0.602038050000000, 0.697675330000000, 0.687727420000000 ] mass: 32.065000 reduced_to: 26 - symbol: S # 27 coordinates: [ 0.397961950000000, 0.302324670000000, 0.687727420000000 ] mass: 32.065000 reduced_to: 27 - symbol: S # 28 coordinates: [ 0.802324670000000, 0.102038050000000, 0.187727420000000 ] mass: 32.065000 reduced_to: 28 - symbol: S # 29 coordinates: [ 0.299699590000000, 0.597444890000000, 0.823136480000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 30 coordinates: [ 0.902555110000000, 0.799699590000000, 0.323136480000000 ] mass: 32.065000 reduced_to: 30 - symbol: S # 31 coordinates: [ 0.097444890000000, 0.200300410000000, 0.323136480000000 ] mass: 32.065000 reduced_to: 31 - symbol: S # 32 coordinates: [ 0.700300410000000, 0.402555110000000, 0.823136480000000 ] mass: 32.065000 reduced_to: 32 - symbol: S # 33 coordinates: [ 0.200300410000000, 0.902555110000000, 0.676863520000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 34 coordinates: [ 0.597444890000000, 0.700300410000000, 0.176863520000000 ] mass: 32.065000 reduced_to: 34 - symbol: S # 35 coordinates: [ 0.402555110000000, 0.299699590000000, 0.176863520000000 ] mass: 32.065000 reduced_to: 35 - symbol: S # 36 coordinates: [ 0.799699590000000, 0.097444890000000, 0.676863520000000 ] mass: 32.065000 reduced_to: 36 - symbol: S # 37 coordinates: [ 0.500000000000000, 0.000000000000000, 0.815232480000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 38 coordinates: [ 0.500000000000000, 0.000000000000000, 0.315232480000000 ] mass: 32.065000 reduced_to: 38 - symbol: Sm # 39 coordinates: [ 0.805108060000000, 0.103984450000000, 0.853950550000000 ] mass: 150.360000 reduced_to: 39 - symbol: Sm # 40 coordinates: [ 0.396015550000000, 0.305108060000000, 0.353950550000000 ] mass: 150.360000 reduced_to: 40 - symbol: Sm # 41 coordinates: [ 0.603984450000000, 0.694891940000000, 0.353950550000000 ] mass: 150.360000 reduced_to: 41 - symbol: Sm # 42 coordinates: [ 0.194891940000000, 0.896015550000000, 0.853950550000000 ] mass: 150.360000 reduced_to: 42 - symbol: Sm # 43 coordinates: [ 0.694891940000000, 0.396015550000000, 0.646049450000000 ] mass: 150.360000 reduced_to: 43 - symbol: Sm # 44 coordinates: [ 0.103984450000000, 0.194891940000000, 0.146049450000000 ] mass: 150.360000 reduced_to: 44 - symbol: Sm # 45 coordinates: [ 0.896015550000000, 0.805108060000000, 0.146049450000000 ] mass: 150.360000 reduced_to: 45 - symbol: Sm # 46 coordinates: [ 0.305108060000000, 0.603984450000000, 0.646049450000000 ] mass: 150.360000 reduced_to: 46 - symbol: Sm # 47 coordinates: [ 0.790954190000000, 0.097945520000000, 0.371923270000000 ] mass: 150.360000 reduced_to: 47 - symbol: Sm # 48 coordinates: [ 0.402054480000000, 0.290954190000000, 0.871923270000000 ] mass: 150.360000 reduced_to: 48 - symbol: Sm # 49 coordinates: [ 0.597945520000000, 0.709045810000000, 0.871923270000000 ] mass: 150.360000 reduced_to: 49 - symbol: Sm # 50 coordinates: [ 0.209045810000000, 0.902054480000000, 0.371923270000000 ] mass: 150.360000 reduced_to: 50 - symbol: Sm # 51 coordinates: [ 0.709045810000000, 0.402054480000000, 0.128076730000000 ] mass: 150.360000 reduced_to: 51 - symbol: Sm # 52 coordinates: [ 0.097945520000000, 0.209045810000000, 0.628076730000000 ] mass: 150.360000 reduced_to: 52 - symbol: Sm # 53 coordinates: [ 0.902054480000000, 0.790954190000000, 0.628076730000000 ] mass: 150.360000 reduced_to: 53 - symbol: Sm # 54 coordinates: [ 0.290954190000000, 0.597945520000000, 0.128076730000000 ] mass: 150.360000 reduced_to: 54 - symbol: Sm # 55 coordinates: [ 0.500000000000000, 0.000000000000000, 0.134593120000000 ] mass: 150.360000 reduced_to: 55 - symbol: Sm # 56 coordinates: [ 0.500000000000000, 0.000000000000000, 0.634593120000000 ] mass: 150.360000 reduced_to: 56 - symbol: Sm # 57 coordinates: [ 0.000000000000000, 0.500000000000000, 0.365406880000000 ] mass: 150.360000 reduced_to: 57 - symbol: Sm # 58 coordinates: [ 0.000000000000000, 0.500000000000000, 0.865406880000000 ] mass: 150.360000 reduced_to: 58displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0492869600000000, 0.0000008200000000, -0.0002789900000000 ] - [ 0.0000884600000000, 0.0000001100000000, 0.0000016700000000 ] - [ -0.0000280200000000, 0.0000217800000000, -0.0001136800000000 ] - [ -0.0002339800000000, -0.0010100800000000, 0.0003827100000000 ] - [ -0.0002317700000000, -0.0010664300000000, -0.0005186700000000 ] - [ -0.0000806300000000, 0.0000026800000000, -0.0000053200000000 ] - [ -0.0016769100000000, 0.0012826900000000, -0.0000104900000000 ] - [ 0.0001067300000000, -0.0000557100000000, 0.0000467000000000 ] - [ 0.0000876400000000, -0.0000031200000000, 0.0000812400000000 ] - [ -0.0015536000000000, 0.0013587600000000, 0.0001264600000000 ] - [ 0.0051660900000000, 0.0008953400000000, -0.0005310900000000 ] - [ -0.0000870600000000, -0.0000052500000000, -0.0000279900000000 ] - [ -0.0000392300000000, -0.0000434600000000, -0.0000204700000000 ] - [ 0.0051458400000000, 0.0008575400000000, 0.0004703000000000 ] - [ 0.0000218300000000, 0.0000454500000000, 0.0000270400000000 ] - [ 0.0043691900000000, -0.0018425000000000, 0.0007687700000000 ] - [ 0.0043826600000000, -0.0018235700000000, -0.0007407800000000 ] - [ 0.0000600200000000, 0.0000926000000000, 0.0000281100000000 ] - [ 0.0023202300000000, 0.0004997800000000, 0.0000989300000000 ] - [ 0.0004588500000000, 0.0000913700000000, 0.0000965600000000 ] - [ -0.0004900600000000, 0.0001363900000000, -0.0016060300000000 ] - [ 0.0003120900000000, 0.0000626800000000, -0.0002801900000000 ] - [ 0.0003129400000000, 0.0000682800000000, 0.0002372600000000 ] - [ -0.0004885700000000, 0.0001556600000000, 0.0015800400000000 ] - [ 0.0005153400000000, -0.0007998300000000, 0.0000090700000000 ] - [ -0.0002955100000000, -0.0001062000000000, -0.0007801800000000 ] - [ -0.0002791300000000, -0.0001111000000000, 0.0008348700000000 ] - [ 0.0005097700000000, -0.0008265900000000, 0.0000375400000000 ] - [ 0.0020810800000000, -0.0019873300000000, 0.0041057500000000 ] - [ 0.0002735300000000, -0.0001104100000000, 0.0002676900000000 ] - [ 0.0002332200000000, -0.0000909400000000, -0.0000960200000000 ] - [ 0.0020841600000000, -0.0019424700000000, -0.0039587700000000 ] - [ 0.0001002400000000, -0.0002180700000000, -0.0000151500000000 ] - [ -0.0006340800000000, 0.0015821500000000, 0.0019719700000000 ] - [ -0.0005926300000000, 0.0015631000000000, -0.0021514400000000 ] - [ 0.0000800200000000, -0.0002575400000000, -0.0001545400000000 ] - [ -0.0011962700000000, 0.0023798700000000, -0.0000937400000000 ] - [ -0.0002072700000000, 0.0002828000000000, -0.0000941300000000 ] - [ -0.0006265800000000, -0.0001581400000000, -0.0007862100000000 ] - [ 0.0005973300000000, -0.0002598200000000, 0.0004773500000000 ] - [ 0.0005030500000000, -0.0001795700000000, -0.0005003200000000 ] - [ -0.0005526800000000, -0.0000661000000000, 0.0007913700000000 ] - [ 0.0002632500000000, 0.0002288300000000, 0.0007328900000000 ] - [ -0.0007782700000000, -0.0005268700000000, 0.0015053600000000 ] - [ -0.0006691500000000, -0.0006104200000000, -0.0014865100000000 ] - [ 0.0001761700000000, 0.0001377600000000, -0.0007237700000000 ] - [ -0.0001610700000000, 0.0002367800000000, -0.0002209100000000 ] - [ 0.0057745400000000, 0.0037123500000000, 0.0031604300000000 ] - [ 0.0057936900000000, 0.0038665000000000, -0.0032404700000000 ] - [ -0.0000681500000000, 0.0002127700000000, 0.0001842800000000 ] - [ 0.0103436600000000, -0.0028546300000000, 0.0093960500000000 ] - [ -0.0002588900000000, 0.0000407800000000, -0.0001252000000000 ] - [ -0.0002799300000000, -0.0000503700000000, 0.0001497800000000 ] - [ 0.0100058000000000, -0.0026842300000000, -0.0090189900000000 ] - [ 0.0011255700000000, -0.0014508000000000, -0.0000560600000000 ] - [ 0.0002275000000000, -0.0002199200000000, -0.0000591400000000 ] - [ -0.0005572700000000, -0.0001008500000000, 0.0000517200000000 ] - [ -0.0021668000000000, 0.0016466900000000, 0.0000733600000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0798209600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0009404700000000 ] - [ 0.0001393900000000, -0.0000757100000000, 0.0010182500000000 ] - [ 0.0000311600000000, 0.0002371800000000, -0.0031306700000000 ] - [ -0.0000311600000000, -0.0002371800000000, -0.0031306700000000 ] - [ -0.0001393900000000, 0.0000757100000000, 0.0010182500000000 ] - [ 0.0001794800000000, -0.0000493900000000, -0.0030106900000000 ] - [ 0.0000952300000000, 0.0000871500000000, 0.0011408600000000 ] - [ -0.0000952300000000, -0.0000871500000000, 0.0011408600000000 ] - [ -0.0001794800000000, 0.0000493900000000, -0.0030106900000000 ] - [ -0.0008831800000000, -0.0006787100000000, 0.0007238600000000 ] - [ -0.0000758800000000, -0.0001023200000000, 0.0008475700000000 ] - [ 0.0000758800000000, 0.0001023200000000, 0.0008475700000000 ] - [ 0.0008831800000000, 0.0006787100000000, 0.0007238600000000 ] - [ -0.0001412600000000, 0.0000291700000000, 0.0008995000000000 ] - [ 0.0007398900000000, -0.0009352700000000, 0.0007808000000000 ] - [ -0.0007398900000000, 0.0009352700000000, 0.0007808000000000 ] - [ 0.0001412600000000, -0.0000291700000000, 0.0008995000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0003935800000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007732800000000 ] - [ 0.0001397800000000, 0.0000343800000000, 0.0014117100000000 ] - [ -0.0013999100000000, -0.0001894100000000, -0.0001392400000000 ] - [ 0.0013999100000000, 0.0001894100000000, -0.0001392400000000 ] - [ -0.0001397800000000, -0.0000343800000000, 0.0014117100000000 ] - [ -0.0001852800000000, 0.0014305000000000, -0.0000977600000000 ] - [ -0.0000499300000000, 0.0001475700000000, 0.0014642900000000 ] - [ 0.0000499300000000, -0.0001475700000000, 0.0014642900000000 ] - [ 0.0001852800000000, -0.0014305000000000, -0.0000977600000000 ] - [ 0.0050991200000000, -0.0027872600000000, 0.0054970900000000 ] - [ 0.0003785900000000, 0.0001323000000000, 0.0006250000000000 ] - [ -0.0003785900000000, -0.0001323000000000, 0.0006250000000000 ] - [ -0.0050991200000000, 0.0027872600000000, 0.0054970900000000 ] - [ 0.0001520400000000, -0.0003379000000000, 0.0004577400000000 ] - [ 0.0027764400000000, 0.0051813400000000, 0.0053912900000000 ] - [ -0.0027764400000000, -0.0051813400000000, 0.0053912900000000 ] - [ -0.0001520400000000, 0.0003379000000000, 0.0004577400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0002017000000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0005792500000000 ] - [ 0.0008779600000000, -0.0011851600000000, 0.0021236500000000 ] - [ 0.0001869600000000, 0.0001236800000000, -0.0025046400000000 ] - [ -0.0001869600000000, -0.0001236800000000, -0.0025046400000000 ] - [ -0.0008779600000000, 0.0011851600000000, 0.0021236500000000 ] - [ 0.0002099200000000, -0.0000956100000000, -0.0024848800000000 ] - [ 0.0010911000000000, 0.0009604600000000, 0.0021704000000000 ] - [ -0.0010911000000000, -0.0009604600000000, 0.0021704000000000 ] - [ -0.0002099200000000, 0.0000956100000000, -0.0024848800000000 ] - [ -0.0001841500000000, 0.0000590200000000, -0.0013564500000000 ] - [ 0.0034330800000000, 0.0068284900000000, 0.0135139200000000 ] - [ -0.0034330800000000, -0.0068284900000000, 0.0135139200000000 ] - [ 0.0001841500000000, -0.0000590200000000, -0.0013564500000000 ] - [ 0.0073245800000000, -0.0036499200000000, 0.0139594400000000 ] - [ -0.0000379500000000, -0.0000934700000000, -0.0013281500000000 ] - [ 0.0000379500000000, 0.0000934700000000, -0.0013281500000000 ] - [ -0.0073245800000000, 0.0036499200000000, 0.0139594400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024176200000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020173800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019107100000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0024973600000000 ]- atom: 3 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0000536800000000, 0.0000290500000000, 0.0001122500000000 ] - [ -0.0017557500000000, 0.0009899700000000, 0.0002144600000000 ] - [ -0.0735396900000000, -0.0105299500000000, -0.0040304300000000 ] - [ -0.0000509000000000, -0.0000668700000000, -0.0000033100000000 ] - [ 0.0000286700000000, 0.0000662500000000, 0.0000521000000000 ] - [ 0.0006693100000000, -0.0017575200000000, -0.0003136700000000 ] - [ 0.0000386800000000, -0.0000420700000000, 0.0001512200000000 ] - [ 0.0034064100000000, -0.0051069900000000, 0.0000104500000000 ] - [ 0.0020800200000000, 0.0050933000000000, -0.0000949800000000 ] - [ 0.0000068500000000, 0.0000289900000000, 0.0001188200000000 ] - [ -0.0000530700000000, -0.0000773500000000, 0.0000987700000000 ] - [ 0.0479935300000000, 0.0120877300000000, -0.0021826600000000 ] - [ 0.0002871900000000, -0.0060995000000000, -0.0006043100000000 ] - [ -0.0000713600000000, 0.0000335600000000, 0.0000299200000000 ] - [ 0.0006010500000000, 0.0025041700000000, 0.0008510200000000 ] - [ 0.0000015300000000, 0.0000126600000000, 0.0000868200000000 ] - [ 0.0000268700000000, 0.0000176800000000, 0.0001037500000000 ] - [ -0.0017991800000000, 0.0010843900000000, 0.0001117100000000 ] - [ 0.0002133600000000, 0.0000608100000000, 0.0003834800000000 ] - [ 0.0002547900000000, -0.0003505600000000, -0.0006605400000000 ] - [ -0.0002009900000000, -0.0006306700000000, -0.0000897700000000 ] - [ 0.0000303600000000, -0.0001604600000000, 0.0000600500000000 ] - [ 0.0002531400000000, 0.0000903700000000, 0.0000861400000000 ] - [ 0.0003950400000000, 0.0011045300000000, -0.0016576700000000 ] - [ 0.0000031300000000, 0.0000993600000000, -0.0001020500000000 ] - [ -0.0000302800000000, -0.0001741800000000, -0.0002838400000000 ] - [ 0.0015276000000000, 0.0007045400000000, -0.0018403900000000 ] - [ -0.0000081500000000, 0.0000680700000000, -0.0004782100000000 ] - [ -0.0001512300000000, 0.0001174100000000, 0.0000921300000000 ] - [ 0.0000509800000000, -0.0008547900000000, 0.0003370900000000 ] - [ 0.0003336500000000, 0.0012072300000000, 0.0006175800000000 ] - [ -0.0000752100000000, -0.0000728000000000, 0.0006466000000000 ] - [ -0.0002715300000000, -0.0000989000000000, -0.0000403500000000 ] - [ -0.0000241900000000, -0.0000851300000000, -0.0000576300000000 ] - [ -0.0003710100000000, -0.0002338700000000, 0.0001038300000000 ] - [ 0.0025479100000000, -0.0008288200000000, 0.0017720900000000 ] - [ -0.0000777800000000, 0.0000477300000000, 0.0005122000000000 ] - [ 0.0007091400000000, 0.0003282200000000, -0.0005172300000000 ] - [ 0.0000369800000000, -0.0000048500000000, -0.0003776900000000 ] - [ 0.0082667900000000, -0.0036382200000000, 0.0123355400000000 ] - [ -0.0003641200000000, 0.0007095700000000, -0.0001499100000000 ] - [ 0.0001037700000000, 0.0000717900000000, -0.0001368100000000 ] - [ -0.0005346200000000, 0.0010831300000000, 0.0040089900000000 ] - [ -0.0001624200000000, 0.0000099700000000, -0.0003147900000000 ] - [ 0.0000283800000000, 0.0001094700000000, -0.0001749700000000 ] - [ 0.0004831300000000, 0.0001019700000000, 0.0005822300000000 ] - [ 0.0024734000000000, -0.0036830700000000, -0.0041707600000000 ] - [ 0.0003234300000000, -0.0000146300000000, -0.0001486900000000 ] - [ 0.0000059400000000, 0.0000465500000000, -0.0001051900000000 ] - [ 0.0012553500000000, 0.0024893400000000, 0.0030367600000000 ] - [ 0.0001142600000000, -0.0000108400000000, -0.0001498900000000 ] - [ 0.0034796100000000, -0.0032306000000000, 0.0003264000000000 ] - [ 0.0000688500000000, 0.0008608300000000, 0.0005210100000000 ] - [ 0.0000037400000000, 0.0000615000000000, -0.0002293800000000 ] - [ 0.0001914300000000, -0.0000303800000000, -0.0001583500000000 ] - [ 0.0006853100000000, 0.0047749800000000, -0.0046972000000000 ] - [ 0.0007626500000000, 0.0017545900000000, -0.0038477800000000 ] - [ -0.0001470200000000, -0.0000666500000000, 0.0002550500000000 ]- atom: 3 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0000548800000000, -0.0000303300000000, -0.0001142600000000 ] - [ 0.0014755200000000, -0.0010860200000000, -0.0002023200000000 ] - [ 0.0772236800000000, 0.0119490200000000, 0.0042424600000000 ] - [ 0.0000065900000000, 0.0000883100000000, -0.0001179600000000 ] - [ 0.0000161600000000, -0.0000879600000000, -0.0001742500000000 ] - [ -0.0006869600000000, 0.0016904500000000, 0.0001952200000000 ] - [ -0.0000605200000000, -0.0000014000000000, -0.0000342600000000 ] - [ -0.0035442200000000, 0.0049885800000000, 0.0001020500000000 ] - [ -0.0021019800000000, -0.0050024100000000, 0.0002297700000000 ] - [ 0.0000135900000000, 0.0000147700000000, -0.0000013200000000 ] - [ 0.0001107100000000, 0.0000813000000000, -0.0001501100000000 ] - [ -0.0513181000000000, -0.0132820200000000, 0.0021320700000000 ] - [ -0.0002898100000000, 0.0060598900000000, 0.0005490200000000 ] - [ 0.0000116600000000, -0.0000362800000000, -0.0000800600000000 ] - [ -0.0007651300000000, -0.0025672600000000, -0.0007708400000000 ] - [ 0.0000013200000000, -0.0000721000000000, -0.0000391400000000 ] - [ -0.0000305300000000, 0.0000410000000000, -0.0000564200000000 ] - [ 0.0018320900000000, -0.0010252000000000, -0.0000703800000000 ] - [ -0.0002131700000000, -0.0000572600000000, -0.0002053600000000 ] - [ -0.0002722700000000, 0.0003423800000000, 0.0008254200000000 ] - [ 0.0002049700000000, 0.0005890100000000, 0.0000898300000000 ] - [ -0.0000009700000000, 0.0001629500000000, -0.0000555300000000 ] - [ -0.0002814000000000, -0.0000904100000000, -0.0000805000000000 ] - [ -0.0003812900000000, -0.0010624000000000, 0.0016725200000000 ] - [ -0.0000046200000000, -0.0000663200000000, 0.0000934800000000 ] - [ -0.0000014300000000, 0.0001643200000000, 0.0002748100000000 ] - [ -0.0014661500000000, -0.0007021400000000, 0.0018061400000000 ] - [ 0.0000058100000000, -0.0001002000000000, 0.0004612000000000 ] - [ 0.0001294600000000, -0.0001637100000000, 0.0000944600000000 ] - [ -0.0000268400000000, 0.0008121900000000, -0.0001466700000000 ] - [ -0.0004067200000000, -0.0011504900000000, -0.0004534200000000 ] - [ 0.0000935400000000, 0.0001165900000000, -0.0004699200000000 ] - [ 0.0002953700000000, 0.0001175800000000, -0.0001301100000000 ] - [ -0.0000189600000000, 0.0001067800000000, -0.0001275100000000 ] - [ 0.0004175200000000, 0.0002123000000000, -0.0002969500000000 ] - [ -0.0025537000000000, 0.0007924000000000, -0.0019308100000000 ] - [ 0.0000788900000000, -0.0000500400000000, -0.0006916800000000 ] - [ -0.0006874000000000, -0.0003035000000000, 0.0003967500000000 ] - [ -0.0000868100000000, -0.0001000800000000, 0.0003539700000000 ] - [ -0.0083022700000000, 0.0035563400000000, -0.0125199100000000 ] - [ 0.0002437700000000, -0.0006327100000000, 0.0001029700000000 ] - [ -0.0000515400000000, 0.0000327500000000, 0.0001085300000000 ] - [ 0.0006294300000000, -0.0009437500000000, -0.0038185100000000 ] - [ 0.0000526300000000, 0.0000427800000000, 0.0003463900000000 ] - [ 0.0000757800000000, -0.0001618100000000, 0.0002002300000000 ] - [ -0.0005438200000000, -0.0001686300000000, -0.0005511600000000 ] - [ -0.0023234400000000, 0.0035303600000000, 0.0039475100000000 ] - [ -0.0003340600000000, -0.0000662800000000, 0.0001337600000000 ] - [ 0.0000035400000000, 0.0000333800000000, 0.0000872500000000 ] - [ -0.0011871000000000, -0.0024247600000000, -0.0029745200000000 ] - [ -0.0000330000000000, -0.0000018200000000, 0.0001685600000000 ] - [ -0.0033961600000000, 0.0031963200000000, -0.0003617200000000 ] - [ -0.0000608200000000, -0.0008871300000000, -0.0005094500000000 ] - [ -0.0000849900000000, -0.0000533200000000, 0.0002557700000000 ] - [ -0.0001904300000000, 0.0000354900000000, 0.0000608600000000 ] - [ -0.0007013100000000, -0.0047276200000000, 0.0045157400000000 ] - [ -0.0007164800000000, -0.0017169900000000, 0.0038384700000000 ] - [ 0.0001474700000000, 0.0000650800000000, -0.0001501300000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000120900000000, 0.0000985700000000, -0.0000843200000000 ] - [ 0.0013105000000000, -0.0002385600000000, -0.0000429200000000 ] - [ -0.0112863600000000, -0.0611430100000000, -0.0008281400000000 ] - [ -0.0000471800000000, -0.0000115100000000, -0.0001306400000000 ] - [ 0.0000478300000000, -0.0000118800000000, -0.0001146800000000 ] - [ -0.0017161100000000, -0.0020837100000000, 0.0002795200000000 ] - [ -0.0000042300000000, -0.0000310100000000, -0.0000033500000000 ] - [ -0.0049599000000000, 0.0021152200000000, 0.0003766800000000 ] - [ 0.0049643000000000, 0.0035308000000000, 0.0000404900000000 ] - [ -0.0000103200000000, 0.0000781100000000, 0.0000381200000000 ] - [ 0.0000468900000000, -0.0001813900000000, -0.0001182400000000 ] - [ 0.0154165600000000, 0.0193381000000000, 0.0106271100000000 ] - [ -0.0040795800000000, 0.0125975500000000, 0.0004188600000000 ] - [ -0.0000222100000000, -0.0000000400000000, -0.0000819900000000 ] - [ -0.0008665000000000, 0.0067604100000000, 0.0002404800000000 ] - [ -0.0000536700000000, -0.0000429100000000, 0.0000136500000000 ] - [ 0.0000140000000000, 0.0000571000000000, 0.0000126400000000 ] - [ 0.0011579700000000, -0.0005610600000000, -0.0000453800000000 ] - [ 0.0001190900000000, 0.0000899800000000, 0.0001080700000000 ] - [ 0.0002480700000000, 0.0001166900000000, -0.0001536400000000 ] - [ -0.0001868200000000, 0.0006807500000000, -0.0000475500000000 ] - [ 0.0000747500000000, 0.0000812400000000, -0.0001165700000000 ] - [ 0.0000408000000000, -0.0001160800000000, 0.0001407100000000 ] - [ 0.0016173100000000, 0.0009760600000000, -0.0023127400000000 ] - [ -0.0000392200000000, 0.0000212900000000, 0.0001023500000000 ] - [ -0.0004999200000000, 0.0007219100000000, 0.0000099800000000 ] - [ -0.0009657900000000, -0.0005853800000000, 0.0027541300000000 ] - [ -0.0000066100000000, -0.0001983400000000, 0.0004651400000000 ] - [ -0.0000727800000000, 0.0001710900000000, 0.0000420900000000 ] - [ 0.0001666500000000, 0.0002938800000000, 0.0000981200000000 ] - [ -0.0010099800000000, -0.0004460500000000, 0.0001640000000000 ] - [ -0.0000928700000000, -0.0001102600000000, 0.0008158400000000 ] - [ 0.0005518700000000, 0.0001252900000000, -0.0003845200000000 ] - [ 0.0000062700000000, 0.0001674000000000, 0.0000450500000000 ] - [ 0.0002504400000000, -0.0002394500000000, -0.0013498300000000 ] - [ -0.0007639100000000, -0.0005206800000000, -0.0010180800000000 ] - [ -0.0001153100000000, -0.0003240500000000, -0.0009112500000000 ] - [ 0.0012703500000000, 0.0006563600000000, 0.0017404900000000 ] - [ 0.0000575900000000, 0.0002384100000000, 0.0002322200000000 ] - [ -0.0029330200000000, 0.0020906700000000, -0.0041300900000000 ] - [ -0.0007485300000000, -0.0009285600000000, -0.0006407600000000 ] - [ -0.0000575000000000, 0.0000755200000000, 0.0003131100000000 ] - [ 0.0006433100000000, 0.0038871400000000, 0.0047728100000000 ] - [ 0.0002012100000000, 0.0001801000000000, 0.0000402200000000 ] - [ 0.0000509000000000, -0.0001105900000000, -0.0001053100000000 ] - [ 0.0003458900000000, -0.0006045000000000, -0.0004765900000000 ] - [ -0.0035520300000000, 0.0035501900000000, 0.0027597900000000 ] - [ -0.0000637500000000, 0.0002013300000000, -0.0001660100000000 ] - [ -0.0000070200000000, -0.0002532000000000, 0.0001604000000000 ] - [ 0.0004771800000000, -0.0004571900000000, -0.0012057300000000 ] - [ -0.0000559200000000, 0.0001047600000000, 0.0002608100000000 ] - [ 0.0020065200000000, 0.0002410500000000, -0.0018665800000000 ] - [ 0.0003051300000000, -0.0007197800000000, 0.0001603100000000 ] - [ 0.0000376100000000, -0.0002407200000000, 0.0001268900000000 ] - [ 0.0000566200000000, 0.0003615600000000, -0.0001259700000000 ] - [ 0.0026637300000000, 0.0100173700000000, -0.0103351700000000 ] - [ 0.0001551100000000, 0.0006832900000000, -0.0006539700000000 ] - [ -0.0000994900000000, -0.0001492700000000, 0.0000899200000000 ]- atom: 3 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000124200000000, -0.0000968900000000, 0.0000866200000000 ] - [ -0.0013301400000000, 0.0002270600000000, 0.0000381000000000 ] - [ 0.0112269800000000, 0.0613975200000000, 0.0004593100000000 ] - [ 0.0000033500000000, 0.0000341400000000, 0.0000125000000000 ] - [ -0.0000031200000000, -0.0000117700000000, -0.0000033500000000 ] - [ 0.0016739400000000, 0.0020678100000000, -0.0004069900000000 ] - [ -0.0000203800000000, -0.0000130600000000, 0.0001239900000000 ] - [ 0.0050130100000000, -0.0021252500000000, -0.0002538700000000 ] - [ -0.0050091200000000, -0.0033604500000000, 0.0000631200000000 ] - [ 0.0000326100000000, -0.0000342600000000, 0.0000831800000000 ] - [ 0.0000131000000000, 0.0001879800000000, 0.0000710100000000 ] - [ -0.0156211600000000, -0.0192262700000000, -0.0107250200000000 ] - [ 0.0042155900000000, -0.0128774100000000, -0.0004766200000000 ] - [ -0.0000372600000000, -0.0000047800000000, 0.0000341500000000 ] - [ 0.0010056100000000, -0.0067560100000000, -0.0002252900000000 ] - [ 0.0000577900000000, -0.0000172800000000, 0.0000376500000000 ] - [ -0.0000189600000000, 0.0000021800000000, 0.0000375400000000 ] - [ -0.0011164000000000, 0.0005769200000000, 0.0001027000000000 ] - [ -0.0001194500000000, -0.0000908400000000, 0.0000683600000000 ] - [ -0.0002449200000000, -0.0001155100000000, 0.0003325900000000 ] - [ 0.0001923400000000, -0.0007195000000000, 0.0000387900000000 ] - [ -0.0000452100000000, -0.0000769200000000, 0.0001104800000000 ] - [ -0.0000741300000000, 0.0001146000000000, -0.0001466600000000 ] - [ -0.0016178000000000, -0.0009501000000000, 0.0022785300000000 ] - [ 0.0000376100000000, 0.0000106800000000, -0.0000951800000000 ] - [ 0.0004697800000000, -0.0007247100000000, -0.0000070600000000 ] - [ 0.0010021200000000, 0.0005867400000000, -0.0027419900000000 ] - [ 0.0000085600000000, 0.0001670600000000, -0.0004498100000000 ] - [ 0.0000495400000000, -0.0002096500000000, 0.0001418200000000 ] - [ -0.0001319100000000, -0.0003058300000000, 0.0000882600000000 ] - [ 0.0009721900000000, 0.0004652900000000, 0.0000237000000000 ] - [ 0.0001137600000000, 0.0001492700000000, -0.0006218000000000 ] - [ -0.0005353100000000, -0.0000795300000000, 0.0001991200000000 ] - [ -0.0000465000000000, -0.0001443600000000, -0.0002279100000000 ] - [ -0.0002112000000000, 0.0002170500000000, 0.0011625000000000 ] - [ 0.0007273900000000, 0.0004817400000000, 0.0008051500000000 ] - [ 0.0001183400000000, 0.0003292300000000, 0.0007544900000000 ] - [ -0.0012655300000000, -0.0006555200000000, -0.0019320700000000 ] - [ -0.0001192000000000, -0.0003404100000000, -0.0002476900000000 ] - [ 0.0030173700000000, -0.0021607300000000, 0.0040798000000000 ] - [ 0.0006498700000000, 0.0009794700000000, 0.0006339700000000 ] - [ 0.0001160100000000, 0.0000284400000000, -0.0003362000000000 ] - [ -0.0005046300000000, -0.0037487000000000, -0.0046353700000000 ] - [ -0.0003013400000000, -0.0001245600000000, -0.0000229500000000 ] - [ 0.0000533500000000, 0.0000527500000000, 0.0001224400000000 ] - [ -0.0003987500000000, 0.0004998700000000, 0.0004962400000000 ] - [ 0.0035490500000000, -0.0035391900000000, -0.0028515800000000 ] - [ 0.0000597200000000, -0.0002844500000000, 0.0001427400000000 ] - [ 0.0000119600000000, 0.0003350600000000, -0.0001831600000000 ] - [ -0.0004183700000000, 0.0004503400000000, 0.0011947200000000 ] - [ 0.0001363900000000, -0.0001103900000000, -0.0002440900000000 ] - [ -0.0019939800000000, -0.0001623300000000, 0.0018738500000000 ] - [ -0.0003063000000000, 0.0006304400000000, -0.0001487000000000 ] - [ -0.0001171400000000, 0.0002472800000000, -0.0001094500000000 ] - [ -0.0000582500000000, -0.0003621000000000, 0.0000163900000000 ] - [ -0.0027808700000000, -0.0102744900000000, 0.0105859500000000 ] - [ -0.0001663300000000, -0.0006843700000000, 0.0007863900000000 ] - [ 0.0000987500000000, 0.0001486900000000, 0.0000066400000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000533500000000, 0.0000181600000000, 0.0010792000000000 ] - [ -0.0000577400000000, -0.0004461000000000, -0.0030683200000000 ] - [ -0.0041087400000000, -0.0006632000000000, -0.0785226200000000 ] - [ 0.0000480300000000, 0.0001379500000000, 0.0008439200000000 ] - [ -0.0000634600000000, -0.0000824700000000, 0.0008441200000000 ] - [ 0.0002298800000000, -0.0003528100000000, -0.0018325800000000 ] - [ 0.0000669600000000, -0.0000705800000000, 0.0009215700000000 ] - [ 0.0000583600000000, -0.0001714200000000, -0.0020657000000000 ] - [ 0.0002947100000000, 0.0000070100000000, -0.0020704100000000 ] - [ -0.0000353200000000, 0.0000296800000000, 0.0007930400000000 ] - [ -0.0001716200000000, 0.0000099000000000, 0.0008565700000000 ] - [ -0.0029414400000000, 0.0107894800000000, 0.0210236200000000 ] - [ 0.0000187200000000, -0.0005154200000000, -0.0028206800000000 ] - [ 0.0000534700000000, -0.0000602100000000, 0.0006557600000000 ] - [ -0.0004122200000000, -0.0007500400000000, 0.0048721900000000 ] - [ 0.0000049000000000, -0.0001219200000000, 0.0007319700000000 ] - [ 0.0000330200000000, 0.0000950100000000, 0.0006163700000000 ] - [ -0.0000417800000000, 0.0001344300000000, -0.0012180700000000 ] - [ -0.0000063900000000, -0.0002033900000000, 0.0005540000000000 ] - [ 0.0009098500000000, 0.0007992300000000, 0.0002050600000000 ] - [ 0.0002188700000000, -0.0014564700000000, -0.0001190400000000 ] - [ -0.0000320200000000, -0.0002545500000000, 0.0005067100000000 ] - [ -0.0000155000000000, -0.0000167200000000, 0.0006222900000000 ] - [ -0.0024972000000000, -0.0023476000000000, 0.0029356300000000 ] - [ 0.0001296200000000, 0.0001181200000000, 0.0006384500000000 ] - [ 0.0005057200000000, -0.0002441300000000, -0.0000259800000000 ] - [ -0.0053125900000000, 0.0018799600000000, 0.0073938500000000 ] - [ 0.0002546900000000, -0.0000146200000000, 0.0009583800000000 ] - [ 0.0000108600000000, 0.0002357900000000, 0.0005288800000000 ] - [ 0.0002307300000000, 0.0006466000000000, -0.0000201200000000 ] - [ 0.0019609300000000, -0.0000465800000000, 0.0013393300000000 ] - [ -0.0000986600000000, -0.0002789600000000, 0.0017632600000000 ] - [ -0.0013894500000000, -0.0009611200000000, 0.0003187800000000 ] - [ -0.0001447600000000, 0.0002173700000000, 0.0002931800000000 ] - [ -0.0007798600000000, 0.0001363400000000, 0.0022517300000000 ] - [ 0.0029187700000000, -0.0014720600000000, 0.0026223500000000 ] - [ -0.0000024800000000, 0.0003163300000000, 0.0012386300000000 ] - [ 0.0014273300000000, 0.0043284700000000, 0.0038604100000000 ] - [ 0.0001131600000000, -0.0000078200000000, -0.0018846000000000 ] - [ 0.0108416200000000, -0.0041783000000000, 0.0151398200000000 ] - [ 0.0006130500000000, 0.0000646700000000, 0.0021735800000000 ] - [ 0.0000021100000000, 0.0001132600000000, -0.0014308400000000 ] - [ 0.0002628800000000, 0.0027066900000000, 0.0069329800000000 ] - [ -0.0001357800000000, 0.0001841200000000, -0.0018624200000000 ] - [ 0.0000031900000000, -0.0002735200000000, -0.0010286300000000 ] - [ 0.0005996400000000, -0.0006653600000000, 0.0017255200000000 ] - [ -0.0014292700000000, 0.0019624800000000, 0.0065208800000000 ] - [ -0.0002699100000000, -0.0001930000000000, -0.0018855400000000 ] - [ -0.0000005200000000, 0.0000814400000000, -0.0013083900000000 ] - [ -0.0010047200000000, -0.0028015900000000, 0.0001660800000000 ] - [ 0.0001407200000000, -0.0000062200000000, -0.0014048400000000 ] - [ 0.0008935900000000, -0.0009084400000000, 0.0000168000000000 ] - [ -0.0002570200000000, 0.0005630500000000, 0.0016725400000000 ] - [ -0.0000977000000000, 0.0003056100000000, -0.0012323500000000 ] - [ 0.0002321500000000, -0.0001171900000000, -0.0020046200000000 ] - [ -0.0016861000000000, -0.0070485100000000, 0.0100909700000000 ] - [ 0.0001182400000000, 0.0009017900000000, 0.0013309000000000 ] - [ -0.0001501800000000, -0.0000525800000000, -0.0012335800000000 ]- atom: 3 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000549800000000, -0.0000164700000000, -0.0010794600000000 ] - [ 0.0000792100000000, 0.0004550600000000, 0.0030725700000000 ] - [ 0.0041699100000000, 0.0006281200000000, 0.0784685300000000 ] - [ -0.0000669500000000, -0.0000847900000000, -0.0009679000000000 ] - [ 0.0000830700000000, 0.0000285000000000, -0.0009677200000000 ] - [ -0.0002833200000000, 0.0003302100000000, 0.0017054300000000 ] - [ -0.0001228000000000, 0.0000526700000000, -0.0008009700000000 ] - [ 0.0000399300000000, 0.0001493800000000, 0.0022005900000000 ] - [ -0.0003397900000000, -0.0000809100000000, 0.0021958700000000 ] - [ 0.0000885800000000, -0.0000114300000000, -0.0006701500000000 ] - [ 0.0002116600000000, 0.0000392000000000, -0.0009098700000000 ] - [ 0.0031209100000000, -0.0107108600000000, -0.0210485200000000 ] - [ -0.0000038200000000, 0.0005688900000000, 0.0027707000000000 ] - [ -0.0000927400000000, 0.0000128400000000, -0.0007081300000000 ] - [ 0.0005647200000000, 0.0008131900000000, -0.0048288100000000 ] - [ 0.0000425200000000, 0.0000829300000000, -0.0006805100000000 ] - [ -0.0000813100000000, -0.0000577500000000, -0.0005657500000000 ] - [ 0.0000611400000000, -0.0001134800000000, 0.0012769700000000 ] - [ -0.0000015000000000, 0.0002011700000000, -0.0003624600000000 ] - [ -0.0009035300000000, -0.0007965500000000, -0.0000198400000000 ] - [ -0.0002259500000000, 0.0014665400000000, 0.0000795200000000 ] - [ 0.0000483900000000, 0.0002525400000000, -0.0005536700000000 ] - [ -0.0000014400000000, 0.0000222700000000, -0.0006688700000000 ] - [ 0.0025195000000000, 0.0023634100000000, -0.0029721900000000 ] - [ -0.0001264300000000, -0.0001011100000000, -0.0005949900000000 ] - [ -0.0005118500000000, 0.0002364900000000, 0.0000691700000000 ] - [ 0.0052507300000000, -0.0018548800000000, -0.0072245900000000 ] - [ -0.0002602500000000, 0.0000016800000000, -0.0009132500000000 ] - [ -0.0000313100000000, -0.0002749200000000, -0.0003601400000000 ] - [ -0.0001887400000000, -0.0006686400000000, 0.0001944200000000 ] - [ -0.0020153000000000, 0.0000509400000000, -0.0011485000000000 ] - [ 0.0001191200000000, 0.0003144600000000, -0.0015906300000000 ] - [ 0.0013989800000000, 0.0010089700000000, -0.0004997000000000 ] - [ 0.0001064500000000, -0.0002043100000000, -0.0004609600000000 ] - [ 0.0008298500000000, -0.0001639600000000, -0.0024481300000000 ] - [ -0.0029280100000000, 0.0014213300000000, -0.0027861300000000 ] - [ 0.0000014500000000, -0.0003100900000000, -0.0014252500000000 ] - [ -0.0014460900000000, -0.0043987200000000, -0.0041268600000000 ] - [ -0.0002020200000000, -0.0000843100000000, 0.0018721800000000 ] - [ -0.0112904200000000, 0.0043756100000000, -0.0159022800000000 ] - [ -0.0007181900000000, 0.0000275300000000, -0.0022114900000000 ] - [ 0.0000843200000000, -0.0000203400000000, 0.0014112800000000 ] - [ -0.0000251800000000, -0.0023533100000000, -0.0065885500000000 ] - [ 0.0000508800000000, -0.0001023200000000, 0.0018854800000000 ] - [ 0.0000906700000000, 0.0001914300000000, 0.0010479900000000 ] - [ -0.0006833000000000, 0.0005641700000000, -0.0016915200000000 ] - [ 0.0015101600000000, -0.0020520700000000, -0.0067231400000000 ] - [ 0.0002463300000000, 0.0001025600000000, 0.0018619300000000 ] - [ 0.0000210400000000, 0.0000095000000000, 0.0012785400000000 ] - [ 0.0010934400000000, 0.0027608000000000, -0.0002249800000000 ] - [ -0.0000584300000000, -0.0000191000000000, 0.0014209700000000 ] - [ -0.0008997100000000, 0.0010169700000000, 0.0000252700000000 ] - [ 0.0002378400000000, -0.0006667400000000, -0.0016205500000000 ] - [ 0.0000094600000000, -0.0002864400000000, 0.0012631800000000 ] - [ -0.0002368700000000, 0.0001190600000000, 0.0018972100000000 ] - [ 0.0015618300000000, 0.0066233000000000, -0.0097784500000000 ] - [ -0.0001017500000000, -0.0009108800000000, -0.0012185400000000 ] - [ 0.0001499700000000, 0.0000526500000000, 0.0013456400000000 ]- atom: 11 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0051518200000000, 0.0018759400000000, -0.0008996100000000 ] - [ 0.0000403100000000, 0.0000249100000000, -0.0001221000000000 ] - [ -0.0000659100000000, 0.0000162700000000, -0.0002539100000000 ] - [ 0.0126014400000000, 0.0060614100000000, 0.0004807800000000 ] - [ 0.0192398200000000, -0.0128074700000000, 0.0106935300000000 ] - [ -0.0000575300000000, 0.0000080000000000, -0.0001348100000000 ] - [ 0.0006711200000000, -0.0009905800000000, -0.0004209800000000 ] - [ 0.0000266200000000, -0.0000047200000000, -0.0000151100000000 ] - [ -0.0000132900000000, -0.0000255200000000, -0.0000409600000000 ] - [ -0.0018032900000000, 0.0011377500000000, 0.0001126400000000 ] - [ -0.0626108000000000, 0.0052720400000000, 0.0003404700000000 ] - [ -0.0000423000000000, -0.0000201000000000, -0.0001150200000000 ] - [ 0.0000191700000000, 0.0000202100000000, -0.0001117300000000 ] - [ 0.0019298400000000, -0.0012739100000000, 0.0006632200000000 ] - [ -0.0000178700000000, 0.0000174700000000, -0.0000571900000000 ] - [ 0.0083580700000000, 0.0026211700000000, -0.0001168700000000 ] - [ -0.0020433800000000, -0.0025512200000000, -0.0007102800000000 ] - [ 0.0000502800000000, -0.0000004500000000, -0.0000069100000000 ] - [ -0.0002918200000000, -0.0002963300000000, 0.0004138100000000 ] - [ 0.0000738400000000, -0.0000479600000000, -0.0000541700000000 ] - [ 0.0000845100000000, -0.0001029500000000, 0.0000219100000000 ] - [ -0.0001518300000000, -0.0003616000000000, -0.0002877700000000 ] - [ 0.0008581800000000, 0.0002566300000000, -0.0004439500000000 ] - [ -0.0000877400000000, 0.0000218900000000, -0.0000024600000000 ] - [ 0.0007561100000000, 0.0002702900000000, 0.0003027400000000 ] - [ -0.0000548400000000, 0.0000166200000000, -0.0000479500000000 ] - [ -0.0001445900000000, -0.0000173900000000, 0.0004436200000000 ] - [ 0.0000221700000000, -0.0011116700000000, 0.0012899200000000 ] - [ 0.0003254100000000, -0.0000454300000000, -0.0001646100000000 ] - [ 0.0000376700000000, 0.0001257200000000, 0.0001795300000000 ] - [ 0.0001061700000000, 0.0000011300000000, 0.0000246700000000 ] - [ -0.0006152500000000, 0.0005694200000000, -0.0000689200000000 ] - [ 0.0002892000000000, -0.0000021200000000, 0.0000462900000000 ] - [ -0.0002799900000000, 0.0012893100000000, -0.0000376000000000 ] - [ 0.0022133500000000, -0.0019160000000000, -0.0016556300000000 ] - [ -0.0004253100000000, 0.0001813500000000, -0.0011303000000000 ] - [ 0.0001186300000000, 0.0012657500000000, 0.0020209900000000 ] - [ -0.0001898600000000, -0.0001830700000000, -0.0012729900000000 ] - [ 0.0096437300000000, -0.0043944000000000, -0.0140727000000000 ] - [ 0.0001354800000000, 0.0000499800000000, 0.0003084200000000 ] - [ 0.0000641500000000, -0.0000815100000000, 0.0001005500000000 ] - [ -0.0009374200000000, -0.0008102900000000, -0.0008528500000000 ] - [ 0.0002937200000000, -0.0002295700000000, 0.0002062300000000 ] - [ -0.0006706500000000, 0.0015508700000000, -0.0008640100000000 ] - [ 0.0002630500000000, -0.0009153400000000, -0.0007180600000000 ] - [ -0.0001077600000000, 0.0000034500000000, 0.0001464000000000 ] - [ 0.0002504300000000, -0.0000819200000000, 0.0002609000000000 ] - [ 0.0036066900000000, 0.0013033000000000, 0.0061827900000000 ] - [ -0.0007493200000000, -0.0028912300000000, -0.0008751200000000 ] - [ -0.0002168700000000, -0.0001099100000000, 0.0001604400000000 ] - [ 0.0018601200000000, 0.0051558100000000, 0.0055785700000000 ] - [ -0.0002616300000000, 0.0000405900000000, 0.0002297900000000 ] - [ -0.0001042100000000, 0.0000819400000000, 0.0003041900000000 ] - [ 0.0000915700000000, -0.0010006900000000, -0.0023274600000000 ] - [ 0.0021308800000000, 0.0035740500000000, -0.0037500600000000 ] - [ 0.0003294600000000, 0.0001623200000000, -0.0001810400000000 ] - [ -0.0000261400000000, 0.0000622600000000, -0.0000316600000000 ] - [ 0.0003265900000000, -0.0007644800000000, 0.0013324300000000 ]- atom: 11 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0051599000000000, -0.0017885600000000, 0.0009191400000000 ] - [ -0.0000420000000000, -0.0000238900000000, 0.0001213300000000 ] - [ 0.0000960400000000, 0.0000261600000000, 0.0001318800000000 ] - [ -0.0129153900000000, -0.0061037700000000, -0.0006004700000000 ] - [ -0.0192825700000000, 0.0125381000000000, -0.0108035600000000 ] - [ 0.0000285500000000, -0.0000503100000000, 0.0000133300000000 ] - [ -0.0006921700000000, 0.0008411800000000, 0.0005530400000000 ] - [ 0.0000148400000000, -0.0000251200000000, 0.0001347500000000 ] - [ -0.0000302400000000, 0.0000556500000000, 0.0001606000000000 ] - [ 0.0018242000000000, -0.0010939000000000, 0.0000070100000000 ] - [ 0.0629633200000000, -0.0049473100000000, -0.0000020500000000 ] - [ 0.0000334700000000, 0.0000772300000000, 0.0000626300000000 ] - [ -0.0000099700000000, -0.0000768400000000, 0.0000595200000000 ] - [ -0.0019434600000000, 0.0012425800000000, -0.0007165300000000 ] - [ -0.0000369100000000, -0.0000278200000000, 0.0001073500000000 ] - [ -0.0081130600000000, -0.0025218700000000, 0.0001819600000000 ] - [ 0.0020404600000000, 0.0025903500000000, 0.0007586100000000 ] - [ 0.0000056300000000, 0.0000089500000000, 0.0000572300000000 ] - [ 0.0002789700000000, 0.0002920000000000, -0.0002257000000000 ] - [ -0.0000757400000000, 0.0000479100000000, 0.0002442800000000 ] - [ -0.0000809800000000, 0.0000755000000000, -0.0000451000000000 ] - [ 0.0001718800000000, 0.0003615100000000, 0.0002635600000000 ] - [ -0.0008921000000000, -0.0002566700000000, 0.0004110100000000 ] - [ 0.0000881000000000, 0.0000057800000000, -0.0000324400000000 ] - [ -0.0007524700000000, -0.0002413500000000, -0.0002779400000000 ] - [ 0.0000286900000000, -0.0000173500000000, 0.0000739800000000 ] - [ 0.0001765700000000, 0.0000184500000000, -0.0004283500000000 ] - [ -0.0000247200000000, 0.0010954000000000, -0.0012694200000000 ] - [ -0.0003500300000000, 0.0000184100000000, 0.0003292700000000 ] - [ 0.0000007800000000, -0.0001469400000000, -0.0000096000000000 ] - [ -0.0001466300000000, 0.0000228000000000, 0.0001457100000000 ] - [ 0.0006448600000000, -0.0005452700000000, 0.0002726100000000 ] - [ -0.0002635500000000, 0.0000416200000000, -0.0002184100000000 ] - [ 0.0002544600000000, -0.0012716700000000, -0.0001415000000000 ] - [ -0.0021670700000000, 0.0018914500000000, 0.0014989000000000 ] - [ 0.0003949500000000, -0.0002186000000000, 0.0009446900000000 ] - [ -0.0001120200000000, -0.0012567000000000, -0.0021916600000000 ] - [ 0.0001939200000000, 0.0001841300000000, 0.0010920200000000 ] - [ -0.0095543300000000, 0.0041917500000000, 0.0137147500000000 ] - [ -0.0000339300000000, -0.0001021300000000, -0.0003324700000000 ] - [ -0.0001712700000000, 0.0001360100000000, -0.0001222900000000 ] - [ 0.0009819400000000, 0.0009163600000000, 0.0008411700000000 ] - [ -0.0002452400000000, 0.0003293700000000, -0.0001835500000000 ] - [ 0.0005827200000000, -0.0014905900000000, 0.0008693400000000 ] - [ -0.0001492600000000, 0.0008508400000000, 0.0007401700000000 ] - [ 0.0000587500000000, -0.0001085100000000, -0.0001155900000000 ] - [ -0.0003317500000000, 0.0000856700000000, -0.0002667800000000 ] - [ -0.0038024400000000, -0.0012549300000000, -0.0063799500000000 ] - [ 0.0007412900000000, 0.0029490500000000, 0.0008588700000000 ] - [ 0.0002990300000000, 0.0001049400000000, -0.0001744000000000 ] - [ -0.0019003400000000, -0.0051584900000000, -0.0055849300000000 ] - [ 0.0002668200000000, 0.0000388000000000, -0.0002117100000000 ] - [ 0.0000977600000000, -0.0001592300000000, -0.0002890400000000 ] - [ -0.0001686100000000, 0.0009869900000000, 0.0023032800000000 ] - [ -0.0022169100000000, -0.0036730900000000, 0.0037835700000000 ] - [ -0.0003295200000000, -0.0001588500000000, 0.0000785700000000 ] - [ 0.0000273400000000, -0.0000627200000000, 0.0001304200000000 ] - [ -0.0003007700000000, 0.0007575700000000, -0.0012411300000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0008816300000000, 0.0043793000000000, -0.0007255000000000 ] - [ 0.0000695300000000, -0.0000626700000000, 0.0000549600000000 ] - [ -0.0000301600000000, -0.0001550200000000, -0.0000745000000000 ] - [ 0.0041103600000000, 0.0003724100000000, -0.0000538400000000 ] - [ -0.0148537400000000, 0.0480232200000000, 0.0029679900000000 ] - [ -0.0000149200000000, -0.0000281000000000, -0.0000239500000000 ] - [ 0.0024541800000000, 0.0067477000000000, -0.0007330400000000 ] - [ 0.0000139600000000, -0.0000206400000000, 0.0001199300000000 ] - [ 0.0000248300000000, 0.0000500700000000, 0.0000819400000000 ] - [ 0.0010726700000000, -0.0005596300000000, -0.0000646000000000 ] - [ 0.0044265200000000, -0.0896268200000000, -0.0071548700000000 ] - [ -0.0000100500000000, 0.0000147500000000, -0.0000003500000000 ] - [ 0.0000093800000000, -0.0000385100000000, 0.0000057600000000 ] - [ -0.0012310000000000, -0.0014198400000000, -0.0000632800000000 ] - [ 0.0000220100000000, -0.0000044100000000, 0.0000588500000000 ] - [ 0.0020848200000000, -0.0020710300000000, -0.0003187600000000 ] - [ -0.0019885300000000, 0.0081148100000000, -0.0000590700000000 ] - [ -0.0000043200000000, 0.0000530700000000, 0.0000595700000000 ] - [ 0.0006482300000000, 0.0004631800000000, -0.0000842500000000 ] - [ 0.0001519600000000, 0.0001258000000000, 0.0002619300000000 ] - [ -0.0000046600000000, 0.0002097900000000, -0.0001465500000000 ] - [ -0.0000316900000000, -0.0000185700000000, 0.0003668200000000 ] - [ -0.0004121100000000, -0.0005153100000000, -0.0000455000000000 ] - [ -0.0001353700000000, -0.0001241900000000, 0.0009064900000000 ] - [ 0.0000913000000000, -0.0002936000000000, -0.0000899100000000 ] - [ -0.0001347700000000, 0.0002435100000000, 0.0000678700000000 ] - [ 0.0000227100000000, 0.0000390600000000, -0.0003237600000000 ] - [ -0.0002053700000000, 0.0000929900000000, 0.0005755800000000 ] - [ 0.0001457400000000, 0.0004111900000000, 0.0005799700000000 ] - [ -0.0000667600000000, 0.0000763000000000, 0.0001265600000000 ] - [ 0.0000431500000000, 0.0000163400000000, 0.0000222100000000 ] - [ 0.0015258200000000, 0.0032074500000000, -0.0031702800000000 ] - [ -0.0000004500000000, -0.0000876800000000, 0.0000906300000000 ] - [ -0.0008138900000000, 0.0008847000000000, -0.0006990000000000 ] - [ -0.0016382500000000, 0.0000993000000000, 0.0012654300000000 ] - [ -0.0001442700000000, -0.0002650800000000, -0.0005573900000000 ] - [ 0.0000747800000000, 0.0010322800000000, 0.0008361200000000 ] - [ -0.0000240400000000, -0.0002827100000000, -0.0002809100000000 ] - [ -0.0043644300000000, 0.0024020500000000, 0.0069890500000000 ] - [ 0.0001362400000000, 0.0000543600000000, -0.0002468400000000 ] - [ 0.0000425100000000, -0.0001813300000000, 0.0001119500000000 ] - [ 0.0001661500000000, 0.0002543700000000, -0.0006209400000000 ] - [ 0.0000486400000000, 0.0001066000000000, 0.0002651500000000 ] - [ 0.0002160400000000, 0.0008194800000000, 0.0007024800000000 ] - [ -0.0006629900000000, 0.0019035400000000, -0.0005685000000000 ] - [ 0.0000126900000000, -0.0001740300000000, -0.0002662600000000 ] - [ -0.0000836100000000, 0.0003607000000000, -0.0001422100000000 ] - [ -0.0002916000000000, 0.0006794800000000, 0.0001059000000000 ] - [ 0.0000256500000000, 0.0013730300000000, -0.0012362500000000 ] - [ 0.0000648400000000, 0.0000237800000000, 0.0001141500000000 ] - [ 0.0032262100000000, 0.0069793300000000, 0.0108539800000000 ] - [ 0.0000283400000000, 0.0000354100000000, -0.0000658000000000 ] - [ -0.0000856400000000, 0.0000224300000000, -0.0002421400000000 ] - [ -0.0005418300000000, -0.0009498800000000, 0.0012968500000000 ] - [ 0.0058121700000000, 0.0081357700000000, -0.0090614500000000 ] - [ 0.0000539300000000, 0.0002998100000000, -0.0002458400000000 ] - [ -0.0001854400000000, -0.0000390700000000, 0.0000493000000000 ] - [ 0.0002529500000000, -0.0011892800000000, -0.0015718900000000 ]- atom: 11 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0008700300000000, -0.0043728500000000, 0.0006936100000000 ] - [ -0.0000686500000000, 0.0000638300000000, -0.0000505800000000 ] - [ 0.0000835500000000, 0.0001725300000000, -0.0000449300000000 ] - [ -0.0041410300000000, -0.0002493800000000, -0.0000757500000000 ] - [ 0.0161696000000000, -0.0512414100000000, -0.0030925900000000 ] - [ -0.0000395400000000, 0.0000103600000000, -0.0000967300000000 ] - [ -0.0025744600000000, -0.0067267900000000, 0.0008295300000000 ] - [ 0.0000042100000000, -0.0000326000000000, 0.0000053800000000 ] - [ -0.0000435700000000, 0.0000035800000000, 0.0000439700000000 ] - [ -0.0010814100000000, 0.0005360800000000, 0.0001828200000000 ] - [ -0.0057815600000000, 0.0928006500000000, 0.0066556900000000 ] - [ -0.0000373500000000, 0.0000231700000000, -0.0000487600000000 ] - [ 0.0000366900000000, 0.0000001900000000, -0.0000548200000000 ] - [ 0.0012471200000000, 0.0013567300000000, 0.0000093300000000 ] - [ -0.0000603400000000, -0.0000432500000000, -0.0000051200000000 ] - [ -0.0019942600000000, 0.0019745400000000, 0.0003611000000000 ] - [ 0.0020899800000000, -0.0083126100000000, 0.0000915300000000 ] - [ 0.0000431200000000, -0.0000060600000000, -0.0000058400000000 ] - [ -0.0006245200000000, -0.0004712800000000, 0.0002788300000000 ] - [ -0.0001513700000000, -0.0001280900000000, -0.0000719200000000 ] - [ -0.0000024800000000, -0.0002260700000000, 0.0000993100000000 ] - [ 0.0000573100000000, 0.0000190900000000, -0.0004277200000000 ] - [ 0.0003941600000000, 0.0005199800000000, 0.0000035600000000 ] - [ 0.0001383400000000, 0.0001367800000000, -0.0009311900000000 ] - [ -0.0000825900000000, 0.0003109700000000, 0.0001317400000000 ] - [ 0.0001165300000000, -0.0002357400000000, -0.0000246100000000 ] - [ -0.0000073200000000, -0.0000450600000000, 0.0003743000000000 ] - [ 0.0001898900000000, -0.0001058700000000, -0.0005767800000000 ] - [ -0.0001570900000000, -0.0004671200000000, -0.0003964600000000 ] - [ 0.0001078800000000, -0.0000929500000000, 0.0000518900000000 ] - [ -0.0000850100000000, 0.0000014900000000, 0.0001482700000000 ] - [ -0.0015071800000000, -0.0031474100000000, 0.0033020200000000 ] - [ 0.0000235600000000, 0.0001291000000000, -0.0002575900000000 ] - [ 0.0007522300000000, -0.0008809200000000, 0.0005374100000000 ] - [ 0.0016747900000000, -0.0001068500000000, -0.0014426200000000 ] - [ 0.0001272600000000, 0.0002235900000000, 0.0004031700000000 ] - [ -0.0000679800000000, -0.0010196100000000, -0.0010111000000000 ] - [ 0.0000236900000000, 0.0002855100000000, 0.0000954500000000 ] - [ 0.0042451200000000, -0.0025007600000000, -0.0069126800000000 ] - [ -0.0000378600000000, -0.0001345700000000, 0.0002218400000000 ] - [ -0.0001335900000000, 0.0002593200000000, -0.0001419500000000 ] - [ -0.0001003800000000, -0.0001583000000000, 0.0005954500000000 ] - [ 0.0000339400000000, -0.0000064200000000, -0.0002458100000000 ] - [ -0.0003169700000000, -0.0007422800000000, -0.0006678300000000 ] - [ 0.0007200900000000, -0.0019812500000000, 0.0005413700000000 ] - [ -0.0000945100000000, 0.0000817100000000, 0.0002818500000000 ] - [ -0.0000092700000000, -0.0003387200000000, 0.0001118500000000 ] - [ 0.0002121900000000, -0.0007457300000000, -0.0002117800000000 ] - [ 0.0000658400000000, -0.0012479800000000, 0.0012194600000000 ] - [ 0.0000257000000000, -0.0000458500000000, -0.0001437500000000 ] - [ -0.0029988500000000, -0.0067175500000000, -0.0104638000000000 ] - [ -0.0000054500000000, 0.0000578500000000, 0.0000881000000000 ] - [ 0.0000633200000000, -0.0001176300000000, 0.0002703000000000 ] - [ 0.0004233400000000, 0.0009802200000000, -0.0012033900000000 ] - [ -0.0058535200000000, -0.0082354600000000, 0.0090879900000000 ] - [ -0.0000550300000000, -0.0003027700000000, 0.0001282900000000 ] - [ 0.0001822000000000, 0.0000401600000000, 0.0000551900000000 ] - [ -0.0002684500000000, 0.0011997800000000, 0.0017054700000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0005630000000000, -0.0006815500000000, 0.0007597400000000 ] - [ 0.0000000500000000, 0.0000032500000000, 0.0008734000000000 ] - [ 0.0001496100000000, -0.0000848900000000, 0.0008215000000000 ] - [ -0.0004307700000000, -0.0005513800000000, -0.0028563600000000 ] - [ 0.0106292500000000, 0.0022268800000000, 0.0209777700000000 ] - [ -0.0000801800000000, 0.0000500200000000, 0.0006204800000000 ] - [ 0.0008523600000000, 0.0002336800000000, 0.0049171900000000 ] - [ 0.0000203800000000, 0.0000545400000000, 0.0006528200000000 ] - [ -0.0000206200000000, -0.0000371500000000, 0.0007685000000000 ] - [ -0.0000592500000000, 0.0000835300000000, -0.0011855000000000 ] - [ 0.0000916300000000, -0.0069429100000000, -0.0836273200000000 ] - [ -0.0000545500000000, -0.0000654500000000, 0.0006113100000000 ] - [ 0.0000475400000000, 0.0000691600000000, 0.0006124800000000 ] - [ -0.0007137700000000, 0.0000030300000000, -0.0013662400000000 ] - [ -0.0001021800000000, 0.0000082200000000, 0.0007416900000000 ] - [ 0.0000485600000000, -0.0007421300000000, -0.0040298300000000 ] - [ -0.0003706300000000, 0.0001986000000000, -0.0040349700000000 ] - [ 0.0000518500000000, -0.0000091000000000, 0.0005340200000000 ] - [ 0.0010176000000000, -0.0000682400000000, 0.0001376500000000 ] - [ -0.0001872500000000, 0.0001024900000000, 0.0005051200000000 ] - [ -0.0001549200000000, 0.0000363100000000, 0.0003346700000000 ] - [ -0.0011429800000000, 0.0015180200000000, 0.0007203900000000 ] - [ -0.0009555600000000, -0.0003065400000000, 0.0001827300000000 ] - [ -0.0000737600000000, -0.0001185600000000, 0.0009461700000000 ] - [ -0.0009698400000000, -0.0000404200000000, -0.0001638500000000 ] - [ 0.0001250200000000, 0.0000192200000000, 0.0004717000000000 ] - [ -0.0001555000000000, -0.0001181000000000, 0.0007477600000000 ] - [ 0.0046737100000000, -0.0024784600000000, 0.0058245900000000 ] - [ 0.0001401200000000, -0.0004461000000000, 0.0000802500000000 ] - [ 0.0000840100000000, -0.0001505200000000, 0.0006966300000000 ] - [ 0.0000714000000000, 0.0000369000000000, 0.0005146100000000 ] - [ -0.0009087900000000, -0.0037345600000000, 0.0030831600000000 ] - [ 0.0002027600000000, 0.0001287500000000, 0.0002629900000000 ] - [ -0.0003574300000000, -0.0003032700000000, 0.0004285800000000 ] - [ -0.0028877500000000, 0.0020009800000000, 0.0022424200000000 ] - [ 0.0007533600000000, -0.0002882100000000, 0.0024482100000000 ] - [ 0.0023615600000000, 0.0034828000000000, 0.0036402000000000 ] - [ 0.0001856800000000, 0.0003616900000000, 0.0013144300000000 ] - [ -0.0132098000000000, 0.0067652600000000, 0.0165394800000000 ] - [ 0.0000251500000000, 0.0000373900000000, -0.0014445800000000 ] - [ -0.0000608900000000, -0.0000708900000000, -0.0014935800000000 ] - [ -0.0000626300000000, -0.0005123400000000, 0.0018296000000000 ] - [ 0.0000485500000000, 0.0003041800000000, -0.0014759000000000 ] - [ -0.0003034900000000, -0.0002793900000000, 0.0018037000000000 ] - [ -0.0019936200000000, 0.0013183200000000, 0.0000963400000000 ] - [ -0.0001698800000000, -0.0000042000000000, -0.0008667500000000 ] - [ 0.0000862000000000, -0.0002733100000000, -0.0015881200000000 ] - [ 0.0036123800000000, 0.0002781100000000, 0.0065304500000000 ] - [ -0.0013379700000000, -0.0019183600000000, -0.0001197100000000 ] - [ 0.0001686100000000, 0.0001150000000000, -0.0010385200000000 ] - [ 0.0049740700000000, 0.0070422000000000, 0.0129292500000000 ] - [ 0.0002972900000000, 0.0001215100000000, -0.0011509000000000 ] - [ 0.0000013600000000, -0.0002926600000000, -0.0012254900000000 ] - [ 0.0004971800000000, 0.0000729400000000, 0.0016502900000000 ] - [ -0.0040770200000000, -0.0069219300000000, 0.0101188200000000 ] - [ -0.0002998300000000, 0.0001317500000000, -0.0015796100000000 ] - [ -0.0000482700000000, 0.0000319000000000, -0.0009891800000000 ] - [ 0.0005349100000000, 0.0006040300000000, 0.0012653300000000 ]- atom: 11 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0004384400000000, 0.0008272200000000, -0.0007435200000000 ] - [ 0.0000010900000000, -0.0000040700000000, -0.0008740700000000 ] - [ -0.0000971200000000, 0.0001061100000000, -0.0009446300000000 ] - [ 0.0004636500000000, 0.0006051600000000, 0.0027353100000000 ] - [ -0.0107215500000000, -0.0020922200000000, -0.0210938800000000 ] - [ 0.0000277800000000, -0.0000678400000000, -0.0007431500000000 ] - [ -0.0007715000000000, -0.0002345700000000, -0.0047846800000000 ] - [ -0.0000026400000000, -0.0001086800000000, -0.0005295200000000 ] - [ 0.0000017600000000, 0.0000915200000000, -0.0006441200000000 ] - [ 0.0001250700000000, -0.0000622900000000, 0.0013093600000000 ] - [ -0.0002555400000000, 0.0068689000000000, 0.0836599900000000 ] - [ 0.0000063500000000, 0.0001055700000000, -0.0006637900000000 ] - [ -0.0000011300000000, -0.0001087000000000, -0.0006626700000000 ] - [ 0.0006666000000000, -0.0000698700000000, 0.0013115300000000 ] - [ 0.0000631900000000, -0.0000556400000000, -0.0006888700000000 ] - [ -0.0001020600000000, 0.0007268400000000, 0.0040909000000000 ] - [ 0.0003096700000000, -0.0001006800000000, 0.0040862300000000 ] - [ -0.0000131600000000, 0.0000563000000000, -0.0004818700000000 ] - [ -0.0010154800000000, 0.0000646700000000, 0.0000473400000000 ] - [ 0.0001808600000000, -0.0001039800000000, -0.0003082100000000 ] - [ 0.0001506200000000, -0.0000571500000000, -0.0003770600000000 ] - [ 0.0011617000000000, -0.0015483100000000, -0.0007494000000000 ] - [ 0.0009616400000000, 0.0003269400000000, -0.0002225700000000 ] - [ 0.0000790800000000, 0.0001338800000000, -0.0009941900000000 ] - [ 0.0009493000000000, 0.0000589500000000, 0.0002045800000000 ] - [ -0.0001403200000000, -0.0000217300000000, -0.0004248200000000 ] - [ 0.0001777900000000, 0.0001150000000000, -0.0007033600000000 ] - [ -0.0045998400000000, 0.0024217500000000, -0.0056574400000000 ] - [ -0.0001643700000000, 0.0004050700000000, 0.0000920900000000 ] - [ -0.0000431400000000, 0.0001297800000000, -0.0005290200000000 ] - [ -0.0001087000000000, -0.0000152900000000, -0.0003478200000000 ] - [ 0.0009198500000000, 0.0037926100000000, -0.0028922400000000 ] - [ -0.0001858800000000, -0.0000881800000000, -0.0004344200000000 ] - [ 0.0003220200000000, 0.0003254200000000, -0.0006075300000000 ] - [ 0.0029189400000000, -0.0020105500000000, -0.0024128000000000 ] - [ -0.0007847900000000, 0.0002501800000000, -0.0026443100000000 ] - [ -0.0024000600000000, -0.0035398900000000, -0.0039029100000000 ] - [ -0.0001807400000000, -0.0003582700000000, -0.0014985900000000 ] - [ 0.0137331100000000, -0.0071331800000000, -0.0173403400000000 ] - [ 0.0000690600000000, -0.0001254300000000, 0.0014303400000000 ] - [ -0.0000323300000000, 0.0001562200000000, 0.0014663400000000 ] - [ 0.0001527700000000, 0.0006112500000000, -0.0018606900000000 ] - [ 0.0000363700000000, -0.0002240600000000, 0.0014787200000000 ] - [ 0.0002138000000000, 0.0003486000000000, -0.0017503800000000 ] - [ 0.0021061300000000, -0.0014075600000000, -0.0000289800000000 ] - [ 0.0000880700000000, -0.0000876100000000, 0.0008899000000000 ] - [ -0.0001749300000000, 0.0002914000000000, 0.0015607900000000 ] - [ -0.0038309800000000, -0.0003113400000000, -0.0067030500000000 ] - [ 0.0013311700000000, 0.0020061400000000, 0.0000875700000000 ] - [ -0.0000765300000000, -0.0001361700000000, 0.0010081100000000 ] - [ -0.0047357000000000, -0.0066984900000000, -0.0125879500000000 ] - [ -0.0002781200000000, -0.0000342100000000, 0.0011806200000000 ] - [ -0.0000231200000000, 0.0002083300000000, 0.0012520800000000 ] - [ -0.0005731200000000, -0.0000265600000000, -0.0016295500000000 ] - [ 0.0038119400000000, 0.0065539100000000, -0.0098079600000000 ] - [ 0.0003021000000000, -0.0001319100000000, 0.0014710900000000 ] - [ 0.0000482600000000, -0.0000315000000000, 0.0011022900000000 ] - [ -0.0005053600000000, -0.0005917900000000, -0.0011948200000000 ]- atom: 19 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0023201000000000, -0.0023800700000000, -0.0000200700000000 ] - [ -0.0002072300000000, -0.0000913500000000, -0.0000031900000000 ] - [ 0.0002370400000000, 0.0001274800000000, -0.0000660400000000 ] - [ 0.0001049500000000, 0.0003749500000000, -0.0008619400000000 ] - [ 0.0001264900000000, 0.0003187600000000, 0.0007337800000000 ] - [ 0.0001890100000000, 0.0001109600000000, -0.0000609900000000 ] - [ 0.0006707700000000, 0.0012590700000000, 0.0015009000000000 ] - [ -0.0003206100000000, -0.0000772300000000, -0.0002565700000000 ] - [ -0.0003331200000000, -0.0000203100000000, 0.0003697000000000 ] - [ 0.0007254400000000, 0.0012765700000000, -0.0013720200000000 ] - [ -0.0002659700000000, 0.0006534000000000, 0.0009848200000000 ] - [ 0.0001043300000000, 0.0000685200000000, -0.0001309600000000 ] - [ 0.0001494200000000, 0.0000275300000000, 0.0000755200000000 ] - [ -0.0003054700000000, 0.0006193700000000, -0.0010480900000000 ] - [ -0.0002064500000000, -0.0000459900000000, 0.0002015400000000 ] - [ 0.0010520000000000, -0.0012819400000000, -0.0034886600000000 ] - [ 0.0010003700000000, -0.0012406000000000, 0.0035331100000000 ] - [ -0.0001774300000000, -0.0000020700000000, -0.0001644900000000 ] - [ -0.0730812700000000, -0.0034114300000000, 0.0005115200000000 ] - [ 0.0000090600000000, -0.0000001400000000, 0.0000928200000000 ] - [ 0.0052330100000000, 0.0013484800000000, 0.0046779800000000 ] - [ -0.0003514900000000, -0.0001108400000000, 0.0000831300000000 ] - [ -0.0003686300000000, -0.0001049700000000, -0.0001286300000000 ] - [ 0.0051874200000000, 0.0013373800000000, -0.0046655800000000 ] - [ 0.0008905800000000, 0.0008862300000000, 0.0005870400000000 ] - [ -0.0000284200000000, -0.0000115800000000, 0.0001116600000000 ] - [ -0.0000126100000000, -0.0000152200000000, -0.0000748200000000 ] - [ 0.0008994300000000, 0.0008411000000000, -0.0005367600000000 ] - [ 0.0001511700000000, -0.0000369100000000, 0.0001154300000000 ] - [ -0.0001907700000000, -0.0018231500000000, -0.0015575100000000 ] - [ -0.0002663300000000, -0.0017686800000000, 0.0017090700000000 ] - [ 0.0001757100000000, 0.0000047400000000, 0.0000496000000000 ] - [ -0.0000048000000000, 0.0000528300000000, -0.0001529000000000 ] - [ 0.0060891600000000, -0.0014188100000000, 0.0007972100000000 ] - [ 0.0061472600000000, -0.0014680700000000, -0.0009544600000000 ] - [ -0.0000240100000000, 0.0000124300000000, -0.0000239800000000 ] - [ 0.0002034300000000, 0.0000001300000000, -0.0000974300000000 ] - [ 0.0003635500000000, -0.0001292700000000, -0.0000936600000000 ] - [ 0.0001320100000000, 0.0000689000000000, -0.0006900000000000 ] - [ -0.0015229300000000, 0.0008251900000000, -0.0008200000000000 ] - [ -0.0016342900000000, 0.0009056400000000, 0.0007950200000000 ] - [ 0.0002193200000000, 0.0001647900000000, 0.0006770900000000 ] - [ 0.0000158200000000, 0.0000417100000000, 0.0001161100000000 ] - [ 0.0047580500000000, -0.0030509800000000, -0.0014886300000000 ] - [ 0.0048350600000000, -0.0030358900000000, 0.0014754200000000 ] - [ -0.0000642200000000, -0.0000522700000000, -0.0000784600000000 ] - [ 0.0005967000000000, -0.0005367600000000, 0.0006826700000000 ] - [ -0.0005531100000000, -0.0001588100000000, 0.0002287400000000 ] - [ -0.0005358300000000, -0.0000701400000000, -0.0002435000000000 ] - [ 0.0007019300000000, -0.0005680800000000, -0.0007083700000000 ] - [ 0.0164602500000000, 0.0053531200000000, 0.0048774800000000 ] - [ -0.0000242000000000, 0.0000027900000000, 0.0000845300000000 ] - [ -0.0000469000000000, -0.0000864200000000, -0.0000456800000000 ] - [ 0.0173667400000000, 0.0057443400000000, -0.0052401100000000 ] - [ -0.0022206400000000, 0.0009649000000000, -0.0000585800000000 ] - [ 0.0000124200000000, -0.0000817800000000, -0.0000496900000000 ] - [ 0.0049381700000000, 0.0000023500000000, 0.0000513300000000 ] - [ 0.0006805900000000, -0.0003139000000000, 0.0000585300000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004998500000000, -0.0011965900000000, 0.0000048900000000 ] - [ 0.0002829800000000, 0.0004590700000000, -0.0000004000000000 ] - [ 0.0000840100000000, 0.0001000100000000, -0.0002650800000000 ] - [ -0.0002528100000000, 0.0002878300000000, 0.0008370300000000 ] - [ -0.0002407900000000, 0.0002403700000000, -0.0009766600000000 ] - [ 0.0000341800000000, 0.0000806300000000, 0.0001393200000000 ] - [ 0.0002801200000000, 0.0006460200000000, 0.0044092300000000 ] - [ 0.0001224500000000, -0.0001065600000000, 0.0000541900000000 ] - [ 0.0001108400000000, -0.0000495800000000, 0.0000584400000000 ] - [ 0.0003512000000000, 0.0006656400000000, -0.0043175200000000 ] - [ -0.0002757200000000, 0.0004938400000000, -0.0000926100000000 ] - [ -0.0001736100000000, 0.0000948900000000, -0.0002113600000000 ] - [ -0.0001300800000000, 0.0000542500000000, 0.0001572200000000 ] - [ -0.0003128000000000, 0.0004405600000000, 0.0000405500000000 ] - [ -0.0001987600000000, -0.0003069900000000, 0.0003813800000000 ] - [ -0.0000420600000000, 0.0001010800000000, 0.0024016300000000 ] - [ -0.0001006500000000, 0.0001290100000000, -0.0023601700000000 ] - [ -0.0001681100000000, -0.0002615400000000, -0.0003381900000000 ] - [ -0.0034001900000000, -0.0648865400000000, 0.0003834700000000 ] - [ -0.0000000500000000, 0.0000090200000000, 0.0000929700000000 ] - [ 0.0014895900000000, -0.0005051200000000, 0.0013516800000000 ] - [ -0.0001833500000000, 0.0002373300000000, -0.0007174000000000 ] - [ -0.0002002800000000, 0.0002432300000000, 0.0006767900000000 ] - [ 0.0015285800000000, -0.0004657000000000, -0.0014148400000000 ] - [ 0.0013888900000000, 0.0079064200000000, -0.0009971700000000 ] - [ -0.0000415200000000, -0.0000363400000000, -0.0000120500000000 ] - [ -0.0000243700000000, -0.0000398900000000, 0.0000492100000000 ] - [ 0.0013390900000000, 0.0078886300000000, 0.0010567300000000 ] - [ 0.0001158900000000, -0.0002080200000000, 0.0001480900000000 ] - [ -0.0017896900000000, 0.0047950800000000, 0.0044722600000000 ] - [ -0.0018057100000000, 0.0047786200000000, -0.0042497200000000 ] - [ 0.0001361500000000, -0.0001653500000000, 0.0000195800000000 ] - [ 0.0000152300000000, 0.0000458300000000, -0.0002122900000000 ] - [ -0.0016762900000000, 0.0006466500000000, 0.0000076100000000 ] - [ -0.0016060000000000, 0.0006494500000000, -0.0001765200000000 ] - [ -0.0000048900000000, 0.0000054700000000, 0.0000368700000000 ] - [ 0.0000002500000000, 0.0002032800000000, -0.0000967400000000 ] - [ -0.0001295100000000, 0.0002291300000000, -0.0000942400000000 ] - [ -0.0005632000000000, -0.0007133100000000, -0.0003835500000000 ] - [ 0.0008273200000000, 0.0009052800000000, 0.0003804500000000 ] - [ 0.0007446000000000, 0.0010054600000000, -0.0004027000000000 ] - [ -0.0004791300000000, -0.0006172100000000, 0.0003680400000000 ] - [ 0.0000732600000000, 0.0001270900000000, 0.0000200400000000 ] - [ -0.0024938900000000, 0.0097211200000000, 0.0037028400000000 ] - [ -0.0027146400000000, 0.0105360500000000, -0.0039157600000000 ] - [ -0.0000071400000000, 0.0000342600000000, 0.0000143500000000 ] - [ -0.0005295500000000, -0.0014576300000000, 0.0004411100000000 ] - [ 0.0005409800000000, 0.0000286100000000, -0.0001588900000000 ] - [ 0.0005655200000000, 0.0001262000000000, 0.0001330900000000 ] - [ -0.0004394200000000, -0.0014667700000000, -0.0004721800000000 ] - [ 0.0051441100000000, 0.0071540600000000, 0.0017598900000000 ] - [ -0.0000884800000000, 0.0000500100000000, -0.0001028600000000 ] - [ -0.0001117500000000, -0.0000377500000000, 0.0001385600000000 ] - [ 0.0051405100000000, 0.0071739400000000, -0.0017674600000000 ] - [ -0.0003198300000000, -0.0019822800000000, -0.0000540900000000 ] - [ 0.0000557200000000, -0.0002161600000000, -0.0000508800000000 ] - [ -0.0000772900000000, 0.0047608200000000, 0.0000451900000000 ] - [ -0.0002897600000000, 0.0016651000000000, 0.0000586400000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, 0.0003050400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0006757400000000 ] - [ 0.0003314500000000, 0.0000352000000000, 0.0003970700000000 ] - [ 0.0002274100000000, -0.0007073200000000, 0.0000517800000000 ] - [ -0.0002274100000000, 0.0007073200000000, 0.0000517800000000 ] - [ -0.0003314500000000, -0.0000352000000000, 0.0003970700000000 ] - [ -0.0004976500000000, 0.0017980000000000, 0.0040272100000000 ] - [ 0.0008532200000000, 0.0005715500000000, 0.0014005400000000 ] - [ -0.0008532200000000, -0.0005715500000000, 0.0014005400000000 ] - [ 0.0004976500000000, -0.0017980000000000, 0.0040272100000000 ] - [ 0.0003384100000000, -0.0001587600000000, 0.0000223600000000 ] - [ -0.0001898600000000, -0.0001305800000000, 0.0003806200000000 ] - [ 0.0001898600000000, 0.0001305800000000, 0.0003806200000000 ] - [ -0.0003384100000000, 0.0001587600000000, 0.0000223600000000 ] - [ -0.0012084000000000, -0.0002109500000000, 0.0014389700000000 ] - [ -0.0008829900000000, 0.0020724400000000, 0.0037696500000000 ] - [ 0.0008829900000000, -0.0020724400000000, 0.0037696500000000 ] - [ 0.0012084000000000, 0.0002109500000000, 0.0014389700000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0673474600000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0007592300000000 ] - [ 0.0042399200000000, 0.0013531000000000, 0.0008201700000000 ] - [ 0.0001626700000000, -0.0004009400000000, 0.0016419700000000 ] - [ -0.0001626700000000, 0.0004009400000000, 0.0016419700000000 ] - [ -0.0042399200000000, -0.0013531000000000, 0.0008201700000000 ] - [ -0.0002274000000000, 0.0006704600000000, -0.0011174400000000 ] - [ 0.0000014500000000, 0.0000830700000000, 0.0007235600000000 ] - [ -0.0000014500000000, -0.0000830700000000, 0.0007235600000000 ] - [ 0.0002274000000000, -0.0006704600000000, -0.0011174400000000 ] - [ -0.0001509600000000, -0.0000575300000000, 0.0008006800000000 ] - [ -0.0015468600000000, 0.0046149000000000, 0.0010077100000000 ] - [ 0.0015468600000000, -0.0046149000000000, 0.0010077100000000 ] - [ 0.0001509600000000, 0.0000575300000000, 0.0008006800000000 ] - [ -0.0000479000000000, 0.0001985800000000, 0.0006846700000000 ] - [ -0.0013373100000000, -0.0005052700000000, -0.0014265100000000 ] - [ 0.0013373100000000, 0.0005052700000000, -0.0014265100000000 ] - [ 0.0000479000000000, -0.0001985800000000, 0.0006846700000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0004280000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0006418200000000 ] - [ -0.0005056900000000, -0.0001629200000000, -0.0012317600000000 ] - [ -0.0000438400000000, 0.0004936200000000, 0.0008284900000000 ] - [ 0.0000438400000000, -0.0004936200000000, 0.0008284900000000 ] - [ 0.0005056900000000, 0.0001629200000000, -0.0012317600000000 ] - [ 0.0001676200000000, 0.0000425000000000, -0.0015628300000000 ] - [ -0.0011257600000000, 0.0025875200000000, 0.0049510800000000 ] - [ 0.0011257600000000, -0.0025875200000000, 0.0049510800000000 ] - [ -0.0001676200000000, -0.0000425000000000, -0.0015628300000000 ] - [ 0.0006332400000000, -0.0000965100000000, 0.0004520400000000 ] - [ 0.0005665100000000, -0.0000719200000000, -0.0011524500000000 ] - [ -0.0005665100000000, 0.0000719200000000, -0.0011524500000000 ] - [ -0.0006332400000000, 0.0000965100000000, 0.0004520400000000 ] - [ 0.0045778800000000, 0.0015124600000000, 0.0069418900000000 ] - [ 0.0000119500000000, 0.0002241500000000, -0.0015133000000000 ] - [ -0.0000119500000000, -0.0002241500000000, -0.0015133000000000 ] - [ -0.0045778800000000, -0.0015124600000000, 0.0069418900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0012198300000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0012900900000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0232516500000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0020324600000000 ]- atom: 19 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0000000000000000, 0.0000000000000000, -0.0002900100000000 ] - [ -0.0000000000000000, 0.0000000000000000, -0.0006771700000000 ] - [ -0.0002752100000000, -0.0000160400000000, -0.0005203100000000 ] - [ -0.0002489800000000, 0.0007629100000000, -0.0001737500000000 ] - [ 0.0002489800000000, -0.0007629100000000, -0.0001737500000000 ] - [ 0.0002752100000000, 0.0000160400000000, -0.0005203100000000 ] - [ 0.0004346600000000, -0.0018632800000000, -0.0039591700000000 ] - [ -0.0008232800000000, -0.0006154700000000, -0.0012628900000000 ] - [ 0.0008232800000000, 0.0006154700000000, -0.0012628900000000 ] - [ -0.0004346600000000, 0.0018632800000000, -0.0039591700000000 ] - [ -0.0002989500000000, 0.0002049200000000, -0.0000685300000000 ] - [ 0.0001429700000000, 0.0001692300000000, -0.0004331600000000 ] - [ -0.0001429700000000, -0.0001692300000000, -0.0004331600000000 ] - [ 0.0002989500000000, -0.0002049200000000, -0.0000685300000000 ] - [ 0.0011545100000000, 0.0001641100000000, -0.0013737200000000 ] - [ 0.0009656000000000, -0.0021425700000000, -0.0037728900000000 ] - [ -0.0009656000000000, 0.0021425700000000, -0.0037728900000000 ] - [ -0.0011545100000000, -0.0001641100000000, -0.0013737200000000 ] - [ -0.0000000000000000, 0.0000000000000000, 0.0661006400000000 ] - [ -0.0000000000000000, 0.0000000000000000, -0.0005650000000000 ] - [ -0.0042032200000000, -0.0013537600000000, -0.0008497500000000 ] - [ -0.0001464500000000, 0.0003974700000000, -0.0016866000000000 ] - [ 0.0001464500000000, -0.0003974700000000, -0.0016866000000000 ] - [ 0.0042032200000000, 0.0013537600000000, -0.0008497500000000 ] - [ 0.0002213800000000, -0.0006507800000000, 0.0011483900000000 ] - [ -0.0000187000000000, -0.0000775800000000, -0.0006781500000000 ] - [ 0.0000187000000000, 0.0000775800000000, -0.0006781500000000 ] - [ -0.0002213800000000, 0.0006507800000000, 0.0011483900000000 ] - [ 0.0001311700000000, 0.0000150300000000, -0.0006228700000000 ] - [ 0.0015764100000000, -0.0045897700000000, -0.0008294600000000 ] - [ -0.0015764100000000, 0.0045897700000000, -0.0008294600000000 ] - [ -0.0001311700000000, -0.0000150300000000, -0.0006228700000000 ] - [ 0.0000663100000000, -0.0001556900000000, -0.0008531800000000 ] - [ 0.0013021000000000, 0.0005196800000000, 0.0012480100000000 ] - [ -0.0013021000000000, -0.0005196800000000, 0.0012480100000000 ] - [ -0.0000663100000000, 0.0001556900000000, -0.0008531800000000 ] - [ -0.0000000000000000, 0.0000000000000000, -0.0006136500000000 ] - [ -0.0000000000000000, 0.0000000000000000, 0.0004458500000000 ] - [ 0.0004245200000000, 0.0000699800000000, 0.0012002600000000 ] - [ 0.0001388500000000, -0.0005774000000000, -0.0008353100000000 ] - [ -0.0001388500000000, 0.0005774000000000, -0.0008353100000000 ] - [ -0.0004245200000000, -0.0000699800000000, 0.0012002600000000 ] - [ -0.0000838100000000, 0.0000515000000000, 0.0015748900000000 ] - [ 0.0010386000000000, -0.0025095200000000, -0.0048474000000000 ] - [ -0.0010386000000000, 0.0025095200000000, -0.0048474000000000 ] - [ 0.0000838100000000, -0.0000515000000000, 0.0015748900000000 ] - [ -0.0007232500000000, 0.0001182600000000, -0.0004655100000000 ] - [ -0.0005926900000000, -0.0000211600000000, 0.0011131600000000 ] - [ 0.0005926900000000, 0.0000211600000000, 0.0011131600000000 ] - [ 0.0007232500000000, -0.0001182600000000, -0.0004655100000000 ] - [ -0.0045242600000000, -0.0015419200000000, -0.0068491600000000 ] - [ 0.0000105100000000, -0.0001311100000000, 0.0015357100000000 ] - [ -0.0000105100000000, 0.0001311100000000, 0.0015357100000000 ] - [ 0.0045242600000000, 0.0015419200000000, -0.0068491600000000 ] - [ -0.0000000000000000, 0.0000000000000000, -0.0013291800000000 ] - [ -0.0000000000000000, 0.0000000000000000, 0.0011746100000000 ] - [ -0.0000000000000000, 0.0000000000000000, -0.0218552300000000 ] - [ -0.0000000000000000, 0.0000000000000000, 0.0021318900000000 ]- atom: 21 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0004950700000000, 0.0001115900000000, 0.0001475000000000 ] - [ 0.0005178800000000, -0.0000665600000000, -0.0001903700000000 ] - [ -0.0001783300000000, -0.0001827200000000, 0.0001572400000000 ] - [ -0.0001221700000000, -0.0000666500000000, -0.0000388700000000 ] - [ 0.0000844600000000, 0.0001387000000000, -0.0003141800000000 ] - [ 0.0003598200000000, 0.0016164400000000, 0.0024585000000000 ] - [ -0.0000202800000000, -0.0000437800000000, 0.0001915800000000 ] - [ -0.0005719200000000, -0.0007282500000000, -0.0018098400000000 ] - [ 0.0007159500000000, 0.0001882800000000, -0.0001661600000000 ] - [ 0.0000183500000000, -0.0000049500000000, -0.0001931900000000 ] - [ 0.0001039500000000, 0.0000231100000000, -0.0001767000000000 ] - [ -0.0005437200000000, -0.0002316000000000, 0.0002882500000000 ] - [ 0.0000039100000000, 0.0003458000000000, 0.0015157400000000 ] - [ -0.0001085300000000, -0.0001644700000000, 0.0000555400000000 ] - [ 0.0007288100000000, 0.0000612100000000, -0.0009214000000000 ] - [ 0.0000679400000000, -0.0000015900000000, 0.0001467200000000 ] - [ 0.0002163100000000, 0.0000047400000000, 0.0000483400000000 ] - [ 0.0000450000000000, -0.0001678500000000, -0.0046033700000000 ] - [ 0.0051850200000000, 0.0014939100000000, 0.0042901000000000 ] - [ 0.0002416900000000, 0.0001082500000000, -0.0003034600000000 ] - [ -0.0663063600000000, 0.0006901100000000, 0.0010331400000000 ] - [ 0.0000074900000000, -0.0000345000000000, -0.0000760700000000 ] - [ -0.0000016300000000, 0.0000347300000000, 0.0000162800000000 ] - [ 0.0068733100000000, -0.0020725900000000, 0.0005515400000000 ] - [ 0.0004595100000000, -0.0023814400000000, 0.0018388100000000 ] - [ 0.0000784800000000, -0.0001976000000000, 0.0001248900000000 ] - [ -0.0001056900000000, 0.0001968000000000, -0.0000598800000000 ] - [ 0.0003094000000000, -0.0000472400000000, -0.0001405600000000 ] - [ 0.0000008200000000, -0.0000138500000000, -0.0000071500000000 ] - [ 0.0083531700000000, -0.0005545600000000, -0.0007165700000000 ] - [ 0.0003577700000000, 0.0012970600000000, 0.0002853700000000 ] - [ -0.0000089700000000, 0.0000765000000000, 0.0000843700000000 ] - [ -0.0001764100000000, -0.0002131600000000, -0.0000921700000000 ] - [ 0.0050258700000000, 0.0018743800000000, -0.0051243300000000 ] - [ -0.0005442400000000, -0.0012001800000000, -0.0014729400000000 ] - [ 0.0001511300000000, 0.0000882800000000, -0.0000707700000000 ] - [ -0.0000381800000000, 0.0000132300000000, -0.0000136100000000 ] - [ 0.0008854600000000, 0.0013832200000000, -0.0003227700000000 ] - [ -0.0001227100000000, -0.0001333800000000, 0.0001217100000000 ] - [ 0.0069389200000000, -0.0056593500000000, 0.0012259000000000 ] - [ 0.0155418700000000, 0.0034668000000000, 0.0048343800000000 ] - [ 0.0000139500000000, -0.0000253300000000, 0.0000220100000000 ] - [ -0.0000382700000000, 0.0001174400000000, -0.0000363200000000 ] - [ 0.0006835000000000, -0.0004080700000000, -0.0003468500000000 ] - [ -0.0017391700000000, 0.0003473600000000, -0.0002628800000000 ] - [ 0.0008463300000000, 0.0003062400000000, 0.0004247400000000 ] - [ -0.0019051800000000, 0.0005973400000000, -0.0005681000000000 ] - [ 0.0000072900000000, -0.0000582100000000, 0.0000059000000000 ] - [ 0.0000499800000000, 0.0000765800000000, 0.0000155400000000 ] - [ 0.0053503900000000, -0.0018693300000000, -0.0013862000000000 ] - [ -0.0013245100000000, 0.0006687200000000, 0.0009398100000000 ] - [ -0.0000029200000000, -0.0002131600000000, 0.0001272900000000 ] - [ -0.0007039400000000, 0.0002681200000000, 0.0000687000000000 ] - [ 0.0051777600000000, -0.0002835300000000, 0.0003497200000000 ] - [ 0.0008873700000000, -0.0008008500000000, 0.0005671800000000 ] - [ 0.0001497600000000, -0.0005038300000000, -0.0006788800000000 ] - [ 0.0086150300000000, 0.0026168500000000, -0.0019972500000000 ] - [ 0.0000045600000000, 0.0001168200000000, 0.0001540500000000 ]- atom: 21 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0004835900000000, -0.0001055900000000, -0.0001404000000000 ] - [ -0.0005078600000000, 0.0000641600000000, 0.0001847100000000 ] - [ 0.0002115300000000, 0.0002276700000000, -0.0002846100000000 ] - [ 0.0000784200000000, 0.0000964000000000, -0.0000751200000000 ] - [ -0.0000427200000000, -0.0001680600000000, 0.0001955700000000 ] - [ -0.0004001600000000, -0.0016496700000000, -0.0025557600000000 ] - [ -0.0000110300000000, 0.0000024700000000, -0.0000672800000000 ] - [ 0.0006315100000000, 0.0006954700000000, 0.0019217300000000 ] - [ -0.0007614100000000, -0.0001670700000000, 0.0003111500000000 ] - [ 0.0000152200000000, 0.0000413100000000, 0.0003185300000000 ] - [ -0.0000473600000000, -0.0000136700000000, 0.0001297700000000 ] - [ 0.0005303300000000, 0.0002952300000000, -0.0003448800000000 ] - [ 0.0000032500000000, -0.0003908600000000, -0.0015499600000000 ] - [ 0.0000533100000000, 0.0001487500000000, -0.0000964200000000 ] - [ -0.0007936500000000, -0.0000740500000000, 0.0009965100000000 ] - [ -0.0000561500000000, -0.0000516300000000, -0.0000869700000000 ] - [ -0.0002234800000000, 0.0000529300000000, 0.0000069600000000 ] - [ 0.0000116300000000, 0.0001889400000000, 0.0046683800000000 ] - [ -0.0052354600000000, -0.0015244500000000, -0.0041561100000000 ] - [ -0.0002391000000000, -0.0001073900000000, 0.0004931400000000 ] - [ 0.0660282700000000, -0.0008040200000000, -0.0016072100000000 ] - [ 0.0000208900000000, 0.0000353300000000, 0.0000562200000000 ] - [ -0.0000233600000000, -0.0000351700000000, -0.0000361700000000 ] - [ -0.0068552900000000, 0.0020626200000000, -0.0005880100000000 ] - [ -0.0004236500000000, 0.0023761200000000, -0.0017938200000000 ] - [ -0.0001045300000000, 0.0001963700000000, -0.0000944900000000 ] - [ 0.0001323000000000, -0.0001969000000000, 0.0000867300000000 ] - [ -0.0003052900000000, 0.0000207800000000, 0.0001625300000000 ] - [ -0.0000238500000000, -0.0000248900000000, 0.0001838300000000 ] - [ -0.0083135700000000, 0.0005706500000000, 0.0008709100000000 ] - [ -0.0003779500000000, -0.0012973800000000, -0.0001191600000000 ] - [ 0.0000323200000000, -0.0000365400000000, 0.0000933700000000 ] - [ 0.0001979600000000, 0.0002540400000000, -0.0000751000000000 ] - [ -0.0050282700000000, -0.0018232400000000, 0.0048932100000000 ] - [ 0.0005634000000000, 0.0012105200000000, 0.0013213700000000 ] - [ -0.0001732200000000, -0.0001291800000000, -0.0000961900000000 ] - [ 0.0000381000000000, -0.0000137700000000, -0.0001716100000000 ] - [ -0.0009047200000000, -0.0013447000000000, 0.0001294000000000 ] - [ 0.0000752200000000, 0.0000283100000000, -0.0001566400000000 ] - [ -0.0068429700000000, 0.0055329600000000, -0.0012348600000000 ] - [ -0.0145858000000000, -0.0030836100000000, -0.0045640700000000 ] - [ 0.0000333500000000, 0.0001304100000000, -0.0000613600000000 ] - [ 0.0000902400000000, -0.0000089700000000, 0.0000488700000000 ] - [ -0.0008054600000000, 0.0004684700000000, 0.0003703700000000 ] - [ 0.0018235100000000, -0.0003989100000000, 0.0002925000000000 ] - [ -0.0008894300000000, -0.0004047300000000, -0.0004065500000000 ] - [ 0.0018261000000000, -0.0005903900000000, 0.0005565700000000 ] - [ -0.0000102100000000, -0.0000218100000000, -0.0000307100000000 ] - [ -0.0000432400000000, 0.0000029700000000, -0.0000409600000000 ] - [ -0.0052845900000000, 0.0019253200000000, 0.0014075900000000 ] - [ 0.0014164500000000, -0.0006744400000000, -0.0009286000000000 ] - [ 0.0000045700000000, 0.0002937400000000, -0.0001156200000000 ] - [ 0.0006927500000000, -0.0003511700000000, -0.0000592300000000 ] - [ -0.0052567200000000, 0.0002839900000000, -0.0003461300000000 ] - [ -0.0008725900000000, 0.0007914200000000, -0.0006678200000000 ] - [ -0.0001460500000000, 0.0004959300000000, 0.0005771100000000 ] - [ -0.0093984500000000, -0.0028836100000000, 0.0023419800000000 ] - [ -0.0000066400000000, -0.0001173900000000, -0.0000671300000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001407500000000, -0.0002841200000000, 0.0000485400000000 ] - [ -0.0008241000000000, 0.0003113200000000, 0.0014277000000000 ] - [ -0.0005746900000000, 0.0007154500000000, -0.0015076600000000 ] - [ -0.0000745300000000, 0.0003029100000000, -0.0000659500000000 ] - [ -0.0000440300000000, -0.0000197000000000, -0.0000190500000000 ] - [ 0.0010518400000000, 0.0009439200000000, 0.0022968600000000 ] - [ 0.0000469200000000, -0.0000103600000000, 0.0001732400000000 ] - [ 0.0009980200000000, 0.0014610100000000, -0.0052059600000000 ] - [ 0.0004674500000000, 0.0000232600000000, -0.0004468500000000 ] - [ 0.0001227000000000, -0.0001677800000000, 0.0000743800000000 ] - [ -0.0000748900000000, 0.0002413900000000, 0.0000225900000000 ] - [ 0.0003843500000000, 0.0008895900000000, -0.0009729400000000 ] - [ 0.0000700400000000, -0.0001782300000000, 0.0011259600000000 ] - [ -0.0000061300000000, -0.0001583900000000, 0.0001045100000000 ] - [ 0.0002448800000000, -0.0003264700000000, -0.0000267100000000 ] - [ 0.0000104500000000, -0.0001728800000000, -0.0001388400000000 ] - [ 0.0001013300000000, -0.0000287100000000, -0.0001053000000000 ] - [ -0.0010931800000000, 0.0001203400000000, 0.0024687300000000 ] - [ 0.0013636300000000, -0.0004738400000000, 0.0014617300000000 ] - [ 0.0001918100000000, -0.0003599200000000, -0.0000576300000000 ] - [ 0.0006737000000000, -0.0707248700000000, 0.0013004600000000 ] - [ 0.0000267800000000, 0.0000040300000000, 0.0000703100000000 ] - [ -0.0000265900000000, -0.0000001000000000, -0.0000576400000000 ] - [ -0.0020453500000000, 0.0005771300000000, 0.0002931700000000 ] - [ -0.0023920300000000, 0.0052619000000000, -0.0048057000000000 ] - [ 0.0000358500000000, -0.0001120500000000, 0.0001539100000000 ] - [ -0.0000358000000000, 0.0000856200000000, -0.0002900000000000 ] - [ -0.0000415500000000, 0.0003573100000000, 0.0000324700000000 ] - [ 0.0000042400000000, -0.0000413200000000, 0.0001010100000000 ] - [ -0.0007180800000000, 0.0011221800000000, -0.0003925600000000 ] - [ 0.0016663700000000, 0.0058362700000000, -0.0007868200000000 ] - [ -0.0000098900000000, 0.0000226800000000, 0.0000309800000000 ] - [ 0.0000654000000000, 0.0002018400000000, 0.0000750600000000 ] - [ 0.0017392300000000, -0.0001405400000000, -0.0018850600000000 ] - [ -0.0013582000000000, 0.0046188800000000, 0.0044664500000000 ] - [ -0.0001235800000000, 0.0002532900000000, 0.0000224700000000 ] - [ 0.0000331600000000, -0.0000212700000000, -0.0001028100000000 ] - [ 0.0008828200000000, 0.0079003200000000, 0.0005562800000000 ] - [ -0.0000507700000000, -0.0000762700000000, -0.0001185800000000 ] - [ -0.0050095200000000, 0.0192411000000000, -0.0048736600000000 ] - [ 0.0035432000000000, 0.0054168300000000, 0.0023172400000000 ] - [ 0.0000893300000000, 0.0000630800000000, -0.0000136400000000 ] - [ 0.0002634400000000, 0.0002339300000000, 0.0003345600000000 ] - [ -0.0009312600000000, -0.0013542200000000, -0.0007084300000000 ] - [ 0.0007123400000000, 0.0008081200000000, 0.0007428600000000 ] - [ 0.0001872200000000, 0.0008700700000000, 0.0000664400000000 ] - [ -0.0005801100000000, -0.0020294700000000, 0.0000504100000000 ] - [ -0.0000414400000000, -0.0000858200000000, 0.0000063100000000 ] - [ 0.0000375300000000, 0.0000642700000000, -0.0000687100000000 ] - [ -0.0018573100000000, 0.0099725600000000, 0.0038495100000000 ] - [ 0.0007436700000000, 0.0007782900000000, -0.0004696800000000 ] - [ -0.0005270800000000, -0.0006150600000000, 0.0002026500000000 ] - [ 0.0000483300000000, 0.0001691000000000, -0.0005754500000000 ] - [ -0.0005055200000000, 0.0048257400000000, 0.0000949300000000 ] - [ -0.0002004000000000, -0.0016706400000000, 0.0006022500000000 ] - [ 0.0002452900000000, -0.0009812000000000, -0.0002071800000000 ] - [ 0.0029225500000000, 0.0062775000000000, -0.0007630000000000 ] - [ 0.0000314500000000, 0.0000620000000000, 0.0000918600000000 ]- atom: 21 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001517100000000, 0.0002906700000000, -0.0000356500000000 ] - [ 0.0008022600000000, -0.0003139700000000, -0.0014035900000000 ] - [ 0.0006016100000000, -0.0006743600000000, 0.0014181000000000 ] - [ 0.0000311100000000, -0.0002759900000000, -0.0000488000000000 ] - [ 0.0000857300000000, -0.0000076600000000, -0.0000968100000000 ] - [ -0.0010699000000000, -0.0009908700000000, -0.0024112200000000 ] - [ -0.0000749800000000, -0.0000302300000000, -0.0000493000000000 ] - [ -0.0009596700000000, -0.0014894000000000, 0.0053536800000000 ] - [ -0.0005125200000000, 0.0000090300000000, 0.0005670400000000 ] - [ -0.0000900000000000, 0.0002073800000000, 0.0000550300000000 ] - [ 0.0001340200000000, -0.0002355400000000, -0.0000702800000000 ] - [ -0.0003817900000000, -0.0008301700000000, 0.0009447600000000 ] - [ -0.0000591700000000, 0.0001155800000000, -0.0011777400000000 ] - [ -0.0000531700000000, 0.0001442000000000, -0.0001471700000000 ] - [ -0.0002971300000000, 0.0003182800000000, 0.0000717400000000 ] - [ -0.0000008000000000, 0.0001177900000000, 0.0001933800000000 ] - [ -0.0001090000000000, 0.0000853300000000, 0.0001589800000000 ] - [ 0.0011442900000000, -0.0001197200000000, -0.0024323300000000 ] - [ -0.0013220600000000, 0.0004963700000000, -0.0012515200000000 ] - [ -0.0001919000000000, 0.0003602100000000, 0.0002461000000000 ] - [ -0.0008222700000000, 0.0711197600000000, -0.0020028500000000 ] - [ 0.0000010200000000, -0.0000022400000000, -0.0000810600000000 ] - [ -0.0000011100000000, -0.0000017000000000, 0.0000461700000000 ] - [ 0.0020737400000000, -0.0005280200000000, -0.0003181300000000 ] - [ 0.0023508200000000, -0.0051850500000000, 0.0047647300000000 ] - [ -0.0000622900000000, 0.0001108100000000, -0.0001330800000000 ] - [ 0.0000625000000000, -0.0000822000000000, 0.0003137000000000 ] - [ 0.0000421200000000, -0.0003858200000000, -0.0000187200000000 ] - [ -0.0000269000000000, 0.0000026200000000, 0.0000814300000000 ] - [ 0.0007249400000000, -0.0011610800000000, 0.0005643400000000 ] - [ -0.0017417000000000, -0.0058280200000000, 0.0009527400000000 ] - [ 0.0000327900000000, 0.0000181300000000, 0.0001528100000000 ] - [ -0.0000414700000000, -0.0001638000000000, -0.0002502400000000 ] - [ -0.0018132200000000, 0.0001290200000000, 0.0017280900000000 ] - [ 0.0014226700000000, -0.0046786700000000, -0.0046963700000000 ] - [ 0.0001001000000000, -0.0002932100000000, -0.0001947700000000 ] - [ -0.0000327700000000, 0.0000196200000000, -0.0000766700000000 ] - [ -0.0008442100000000, -0.0078945700000000, -0.0007580300000000 ] - [ 0.0000012200000000, -0.0000273800000000, 0.0000876200000000 ] - [ 0.0055291700000000, -0.0205015500000000, 0.0051915500000000 ] - [ -0.0035737200000000, -0.0053662600000000, -0.0023144200000000 ] - [ -0.0000398500000000, 0.0000438800000000, -0.0000192700000000 ] - [ -0.0002170900000000, -0.0001350200000000, -0.0003230900000000 ] - [ 0.0008281600000000, 0.0013924200000000, 0.0007313000000000 ] - [ -0.0005974200000000, -0.0008389600000000, -0.0007211700000000 ] - [ -0.0002368300000000, -0.0009754500000000, -0.0000540200000000 ] - [ 0.0004937900000000, 0.0020362200000000, -0.0000637900000000 ] - [ 0.0000358200000000, 0.0000054400000000, -0.0000322900000000 ] - [ -0.0000310600000000, 0.0000153000000000, 0.0000423700000000 ] - [ 0.0016935900000000, -0.0091771000000000, -0.0035695200000000 ] - [ -0.0006773000000000, -0.0007997000000000, 0.0004842200000000 ] - [ 0.0005379100000000, 0.0006916900000000, -0.0001962000000000 ] - [ -0.0000545100000000, -0.0002439800000000, 0.0005852000000000 ] - [ 0.0004359800000000, -0.0048142200000000, -0.0000866700000000 ] - [ 0.0002020100000000, 0.0016892900000000, -0.0007005300000000 ] - [ -0.0002471100000000, 0.0009908300000000, 0.0001009100000000 ] - [ -0.0030001500000000, -0.0062936500000000, 0.0009022500000000 ] - [ -0.0000325900000000, -0.0000643200000000, -0.0000029600000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0015811400000000, 0.0008017400000000, 0.0014321600000000 ] - [ -0.0000129600000000, 0.0002577400000000, -0.0001232300000000 ] - [ -0.0000879000000000, -0.0000507100000000, -0.0001646500000000 ] - [ -0.0001346600000000, 0.0000897800000000, 0.0005823900000000 ] - [ -0.0001211900000000, -0.0000638700000000, 0.0004688400000000 ] - [ 0.0016775000000000, 0.0023238900000000, 0.0029135200000000 ] - [ -0.0001026900000000, 0.0001050200000000, 0.0006775300000000 ] - [ -0.0027793200000000, -0.0018633600000000, 0.0074248600000000 ] - [ 0.0000176900000000, 0.0002867000000000, 0.0000104100000000 ] - [ 0.0004714300000000, -0.0004628500000000, 0.0009952200000000 ] - [ 0.0000600900000000, -0.0000961800000000, 0.0003302800000000 ] - [ 0.0000010200000000, -0.0004020200000000, 0.0001760300000000 ] - [ 0.0004233100000000, 0.0002515400000000, 0.0007124600000000 ] - [ -0.0000430400000000, -0.0009376000000000, 0.0009417100000000 ] - [ 0.0002657900000000, -0.0001340900000000, -0.0001624200000000 ] - [ 0.0003705100000000, 0.0004046400000000, 0.0007499700000000 ] - [ 0.0000203700000000, 0.0000883600000000, 0.0004737500000000 ] - [ -0.0012838900000000, -0.0005379700000000, 0.0058155000000000 ] - [ 0.0046511300000000, 0.0013779100000000, 0.0009279700000000 ] - [ -0.0006994300000000, -0.0001063000000000, 0.0017632300000000 ] - [ 0.0014530300000000, 0.0016258300000000, -0.0598035800000000 ] - [ 0.0000472600000000, 0.0000335700000000, 0.0007145900000000 ] - [ 0.0000793900000000, 0.0000588100000000, 0.0007151200000000 ] - [ -0.0005804400000000, -0.0003065300000000, -0.0014222400000000 ] - [ 0.0018002900000000, -0.0047696900000000, 0.0011899300000000 ] - [ 0.0003062500000000, -0.0000810900000000, 0.0005822200000000 ] - [ 0.0001389100000000, -0.0001017200000000, 0.0005818900000000 ] - [ 0.0001591000000000, -0.0000212300000000, -0.0005080500000000 ] - [ 0.0000614300000000, -0.0000515200000000, 0.0008736000000000 ] - [ 0.0012450900000000, 0.0003664400000000, -0.0010119000000000 ] - [ -0.0003854000000000, 0.0010535700000000, -0.0012086300000000 ] - [ -0.0002123700000000, 0.0000639900000000, 0.0008447200000000 ] - [ -0.0001269200000000, 0.0002353300000000, 0.0008579100000000 ] - [ -0.0044974300000000, -0.0015861800000000, 0.0010453500000000 ] - [ -0.0011936200000000, 0.0040277000000000, 0.0006171800000000 ] - [ -0.0000499100000000, 0.0001478600000000, 0.0005340000000000 ] - [ -0.0000305100000000, -0.0000927400000000, 0.0006029300000000 ] - [ 0.0005573100000000, -0.0010222200000000, -0.0012247000000000 ] - [ 0.0001203100000000, -0.0001178800000000, -0.0012783800000000 ] - [ 0.0013131000000000, -0.0039938000000000, 0.0059965600000000 ] - [ 0.0024118500000000, 0.0015673200000000, 0.0058322100000000 ] - [ -0.0001737600000000, 0.0001698700000000, -0.0016638100000000 ] - [ 0.0002824600000000, 0.0001476600000000, -0.0006170800000000 ] - [ -0.0007055400000000, -0.0000060600000000, 0.0006858100000000 ] - [ 0.0001013700000000, 0.0006628900000000, 0.0008188500000000 ] - [ -0.0009411800000000, -0.0004145000000000, -0.0020918500000000 ] - [ -0.0000242200000000, -0.0001976100000000, 0.0011007900000000 ] - [ -0.0000207300000000, -0.0001917400000000, -0.0014628600000000 ] - [ 0.0000660600000000, 0.0001996200000000, -0.0014732200000000 ] - [ -0.0012168400000000, 0.0032821900000000, 0.0062716100000000 ] - [ 0.0001742200000000, -0.0006404300000000, 0.0004870700000000 ] - [ 0.0003400900000000, 0.0007541100000000, -0.0010989700000000 ] - [ 0.0003668200000000, -0.0002943800000000, -0.0009739300000000 ] - [ 0.0018097100000000, 0.0003145800000000, 0.0163874700000000 ] - [ 0.0004597100000000, -0.0000461800000000, 0.0005409300000000 ] - [ 0.0000370100000000, -0.0005971800000000, -0.0014923800000000 ] - [ -0.0041694600000000, -0.0014222500000000, 0.0057066900000000 ] - [ -0.0001150500000000, -0.0000887800000000, -0.0016013700000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0016049300000000, -0.0008135700000000, -0.0014440300000000 ] - [ 0.0000152100000000, -0.0002596800000000, 0.0001140500000000 ] - [ 0.0001341000000000, 0.0000694400000000, 0.0000347000000000 ] - [ 0.0001182300000000, -0.0000339200000000, -0.0007077700000000 ] - [ 0.0001399700000000, 0.0000090200000000, -0.0005905500000000 ] - [ -0.0016950100000000, -0.0023012500000000, -0.0029940100000000 ] - [ 0.0000507300000000, -0.0001265400000000, -0.0005567000000000 ] - [ 0.0027509300000000, 0.0017416600000000, -0.0071941800000000 ] - [ -0.0000334900000000, -0.0002297000000000, 0.0001046700000000 ] - [ -0.0004259900000000, 0.0004861300000000, -0.0008772700000000 ] - [ -0.0000241600000000, 0.0001468900000000, -0.0003804500000000 ] - [ -0.0000463500000000, 0.0004358000000000, -0.0002281600000000 ] - [ -0.0003731400000000, -0.0002829700000000, -0.0007560900000000 ] - [ 0.0000038500000000, 0.0009024200000000, -0.0009976300000000 ] - [ -0.0002975100000000, 0.0000894800000000, 0.0002047100000000 ] - [ -0.0003300400000000, -0.0004507400000000, -0.0007022000000000 ] - [ -0.0000695800000000, -0.0000500400000000, -0.0004238900000000 ] - [ 0.0012584000000000, 0.0006111500000000, -0.0056672000000000 ] - [ -0.0046925600000000, -0.0013890700000000, -0.0007442500000000 ] - [ 0.0006949000000000, 0.0001056100000000, -0.0015675500000000 ] - [ -0.0012065600000000, -0.0016993800000000, 0.0609117300000000 ] - [ -0.0000312800000000, -0.0000385300000000, -0.0007606300000000 ] - [ -0.0000970200000000, -0.0000540500000000, -0.0007600400000000 ] - [ 0.0005788000000000, 0.0003293200000000, 0.0013854200000000 ] - [ -0.0018127300000000, 0.0048262700000000, -0.0011581500000000 ] - [ -0.0003226100000000, 0.0000847600000000, -0.0005453100000000 ] - [ -0.0001231900000000, 0.0000985200000000, -0.0005456500000000 ] - [ -0.0001644200000000, 0.0000046200000000, 0.0005573900000000 ] - [ -0.0000806400000000, 0.0000101700000000, -0.0007083600000000 ] - [ -0.0012092600000000, -0.0003977200000000, 0.0011939100000000 ] - [ 0.0003492600000000, -0.0010287300000000, 0.0013860700000000 ] - [ 0.0002322700000000, -0.0000236500000000, -0.0006787200000000 ] - [ 0.0001453400000000, -0.0001947300000000, -0.0010303400000000 ] - [ 0.0044990700000000, 0.0016204900000000, -0.0012259100000000 ] - [ 0.0012464300000000, -0.0040872400000000, -0.0007938700000000 ] - [ 0.0000304800000000, -0.0001885600000000, -0.0007084500000000 ] - [ 0.0000308400000000, 0.0000935500000000, -0.0007963800000000 ] - [ -0.0005668000000000, 0.0010314400000000, 0.0010433500000000 ] - [ -0.0002025500000000, 0.0000251800000000, 0.0012593000000000 ] - [ -0.0012221900000000, 0.0039400400000000, -0.0061236000000000 ] - [ -0.0025320100000000, -0.0014977500000000, -0.0059487600000000 ] - [ 0.0002560100000000, -0.0000770900000000, 0.0016484400000000 ] - [ -0.0002001800000000, -0.0000546000000000, 0.0006549300000000 ] - [ 0.0006142500000000, 0.0000891500000000, -0.0006788300000000 ] - [ -0.0000124800000000, -0.0007467500000000, -0.0008157700000000 ] - [ 0.0008548600000000, 0.0003182200000000, 0.0021301100000000 ] - [ -0.0000673300000000, 0.0002230300000000, -0.0011268500000000 ] - [ -0.0000013200000000, 0.0001034500000000, 0.0014437200000000 ] - [ -0.0000452100000000, -0.0001114800000000, 0.0014541200000000 ] - [ 0.0012889100000000, -0.0032438600000000, -0.0063299000000000 ] - [ -0.0000840000000000, 0.0006192200000000, -0.0004764100000000 ] - [ -0.0003181200000000, -0.0006611900000000, 0.0011384200000000 ] - [ -0.0003877400000000, 0.0002036000000000, 0.0010129100000000 ] - [ -0.0019562000000000, -0.0003071100000000, -0.0174313400000000 ] - [ -0.0004594200000000, 0.0000496500000000, -0.0006692800000000 ] - [ -0.0000339200000000, 0.0005944600000000, 0.0013920200000000 ] - [ 0.0041117800000000, 0.0013978000000000, -0.0056434400000000 ] - [ 0.0001154600000000, 0.0000893600000000, 0.0017179200000000 ]- atom: 29 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0020788600000000, -0.0015779700000000, 0.0051502100000000 ] - [ 0.0000915100000000, 0.0001001200000000, 0.0001452600000000 ] - [ -0.0001388000000000, -0.0000257500000000, -0.0000343500000000 ] - [ -0.0004949300000000, -0.0011783400000000, -0.0000121000000000 ] - [ 0.0003374600000000, 0.0008325900000000, 0.0006057500000000 ] - [ -0.0000868500000000, -0.0001417500000000, 0.0000581000000000 ] - [ -0.0002861000000000, 0.0004997800000000, -0.0013263200000000 ] - [ -0.0001880500000000, 0.0002240800000000, -0.0000812400000000 ] - [ 0.0001205900000000, 0.0000968700000000, 0.0002696700000000 ] - [ 0.0025467400000000, -0.0007053200000000, -0.0028504100000000 ] - [ 0.0003728400000000, 0.0001360400000000, 0.0001283200000000 ] - [ 0.0000235300000000, 0.0000476100000000, -0.0000480300000000 ] - [ 0.0000675600000000, -0.0001737900000000, -0.0001630400000000 ] - [ -0.0006696400000000, 0.0015286300000000, 0.0008814800000000 ] - [ 0.0002386500000000, 0.0000046500000000, 0.0002187800000000 ] - [ 0.0000922400000000, 0.0018654800000000, -0.0019759400000000 ] - [ 0.0009027400000000, -0.0012395100000000, -0.0002749600000000 ] - [ -0.0003701300000000, -0.0001510400000000, -0.0007371800000000 ] - [ 0.0001650000000000, 0.0001258000000000, -0.0000535100000000 ] - [ 0.0047693700000000, 0.0017844000000000, 0.0046653500000000 ] - [ 0.0000148200000000, -0.0000061200000000, 0.0000823100000000 ] - [ 0.0058503700000000, -0.0012807800000000, -0.0010397100000000 ] - [ 0.0011265300000000, 0.0005450400000000, 0.0003887700000000 ] - [ -0.0000236400000000, 0.0000009300000000, 0.0002330300000000 ] - [ -0.0001881900000000, 0.0000752900000000, -0.0001435200000000 ] - [ 0.0046476900000000, 0.0012151300000000, -0.0040899300000000 ] - [ -0.0001292100000000, -0.0018263800000000, -0.0015991700000000 ] - [ 0.0001635900000000, -0.0001333700000000, 0.0000347200000000 ] - [ -0.0674801200000000, 0.0000241200000000, 0.0012348800000000 ] - [ -0.0000127800000000, 0.0000375500000000, -0.0000663300000000 ] - [ -0.0000320100000000, -0.0000380700000000, 0.0000145100000000 ] - [ 0.0075491800000000, -0.0009337300000000, 0.0013123200000000 ] - [ -0.0006687500000000, -0.0010165300000000, 0.0011503600000000 ] - [ 0.0002578300000000, 0.0003244900000000, 0.0000243800000000 ] - [ -0.0002480200000000, -0.0003242400000000, 0.0000246400000000 ] - [ 0.0003254400000000, -0.0000363200000000, -0.0000450000000000 ] - [ 0.0006397000000000, 0.0014540800000000, -0.0006018400000000 ] - [ -0.0000149400000000, 0.0000051700000000, -0.0001403400000000 ] - [ -0.0022123500000000, 0.0005866200000000, 0.0002641000000000 ] - [ 0.0001015200000000, -0.0000404600000000, -0.0000938700000000 ] - [ -0.0001003200000000, 0.0000548500000000, -0.0000691000000000 ] - [ 0.0064409900000000, -0.0066146300000000, -0.0008683800000000 ] - [ -0.0015542100000000, 0.0006605500000000, 0.0004374500000000 ] - [ 0.0000288900000000, 0.0000472600000000, 0.0008159600000000 ] - [ -0.0001416500000000, 0.0001243300000000, 0.0008252800000000 ] - [ 0.0047298500000000, 0.0002340400000000, -0.0005882300000000 ] - [ -0.0001266400000000, -0.0000865500000000, -0.0000945900000000 ] - [ 0.0045101900000000, -0.0017887400000000, 0.0012859500000000 ] - [ 0.0105992800000000, 0.0039339600000000, 0.0026828000000000 ] - [ 0.0000823800000000, -0.0000331100000000, 0.0000038100000000 ] - [ -0.0005974900000000, 0.0001971000000000, -0.0002018200000000 ] - [ 0.0008783300000000, -0.0008802100000000, -0.0006916300000000 ] - [ -0.0014101500000000, 0.0007496000000000, -0.0007536300000000 ] - [ 0.0007834700000000, -0.0002721600000000, -0.0002352200000000 ] - [ 0.0000270400000000, 0.0000211300000000, -0.0000400300000000 ] - [ 0.0006479900000000, -0.0005283900000000, 0.0005765000000000 ] - [ -0.0000051700000000, 0.0000162600000000, -0.0000564200000000 ] - [ 0.0159679300000000, 0.0034796700000000, -0.0045388300000000 ]- atom: 29 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0020868700000000, 0.0015674600000000, -0.0051291500000000 ] - [ -0.0000886300000000, -0.0001012900000000, -0.0001392500000000 ] - [ 0.0001655600000000, 0.0000696800000000, -0.0000797200000000 ] - [ 0.0004446300000000, 0.0012030100000000, -0.0001124600000000 ] - [ -0.0002908300000000, -0.0008565300000000, -0.0007122100000000 ] - [ 0.0000576300000000, 0.0000922000000000, -0.0001632400000000 ] - [ 0.0002587200000000, -0.0005596800000000, 0.0014656600000000 ] - [ 0.0002418900000000, -0.0002466200000000, 0.0002219300000000 ] - [ -0.0001638100000000, -0.0000707000000000, -0.0001488800000000 ] - [ -0.0025324700000000, 0.0007582500000000, 0.0029997700000000 ] - [ -0.0003201800000000, -0.0001262500000000, -0.0001770400000000 ] - [ -0.0000315400000000, 0.0000092000000000, 0.0000026400000000 ] - [ -0.0000611200000000, 0.0001145400000000, 0.0001157100000000 ] - [ 0.0006077800000000, -0.0015450800000000, -0.0009479400000000 ] - [ -0.0002971100000000, -0.0000116700000000, -0.0001692400000000 ] - [ -0.0000732600000000, -0.0019249900000000, 0.0020368900000000 ] - [ -0.0009037000000000, 0.0013043400000000, 0.0003553700000000 ] - [ 0.0004332500000000, 0.0001607600000000, 0.0008018800000000 ] - [ -0.0001623600000000, -0.0001261700000000, 0.0002375300000000 ] - [ -0.0048038900000000, -0.0018080100000000, -0.0045318400000000 ] - [ -0.0000133800000000, -0.0000229100000000, -0.0000888000000000 ] - [ -0.0058292100000000, 0.0013113500000000, 0.0010147300000000 ] - [ -0.0011410500000000, -0.0005781800000000, -0.0004037000000000 ] - [ 0.0000210400000000, 0.0000283900000000, -0.0002406000000000 ] - [ 0.0001889000000000, -0.0000467900000000, 0.0001581900000000 ] - [ -0.0046365400000000, -0.0011918100000000, 0.0040526700000000 ] - [ 0.0001256600000000, 0.0018674800000000, 0.0016355300000000 ] - [ -0.0001635900000000, 0.0001061600000000, -0.0000165700000000 ] - [ 0.0676936500000000, -0.0000385200000000, -0.0017380000000000 ] - [ 0.0000540900000000, -0.0000610300000000, 0.0002526300000000 ] - [ -0.0000074200000000, 0.0000610900000000, 0.0001717100000000 ] - [ -0.0075172600000000, 0.0009390700000000, -0.0011491700000000 ] - [ 0.0007112900000000, 0.0010213000000000, -0.0013112300000000 ] - [ -0.0003022900000000, -0.0003033800000000, -0.0002049000000000 ] - [ 0.0002890300000000, 0.0003027300000000, -0.0002032000000000 ] - [ -0.0003486600000000, -0.0000045700000000, -0.0001399700000000 ] - [ -0.0006566500000000, -0.0014323700000000, 0.0004156100000000 ] - [ 0.0000134900000000, -0.0000051000000000, -0.0000352200000000 ] - [ 0.0021563500000000, -0.0006915500000000, -0.0002840700000000 ] - [ 0.0000040000000000, -0.0000125000000000, 0.0000581400000000 ] - [ -0.0000011900000000, -0.0000038400000000, 0.0000365500000000 ] - [ -0.0063824400000000, 0.0068455100000000, 0.0008592900000000 ] - [ 0.0016240000000000, -0.0005534600000000, -0.0004096800000000 ] - [ -0.0001360900000000, 0.0000073600000000, -0.0008019500000000 ] - [ 0.0002428600000000, -0.0001789500000000, -0.0008164900000000 ] - [ -0.0047987600000000, -0.0003326700000000, 0.0006463000000000 ] - [ 0.0000466000000000, 0.0000938100000000, 0.0000655900000000 ] - [ -0.0044968800000000, 0.0016235200000000, -0.0012738700000000 ] - [ -0.0097720200000000, -0.0035238200000000, -0.0024384800000000 ] - [ -0.0000045500000000, 0.0000278000000000, -0.0000353900000000 ] - [ 0.0006811800000000, -0.0002035500000000, 0.0002159800000000 ] - [ -0.0008874700000000, 0.0009672700000000, 0.0007100800000000 ] - [ 0.0013901700000000, -0.0008293700000000, 0.0007748100000000 ] - [ -0.0008638300000000, 0.0002750900000000, 0.0002527600000000 ] - [ -0.0000202100000000, -0.0000196400000000, -0.0000562200000000 ] - [ -0.0006325700000000, 0.0005191800000000, -0.0006749500000000 ] - [ 0.0000002900000000, -0.0000169000000000, 0.0001414800000000 ] - [ -0.0170241900000000, -0.0038486700000000, 0.0049340000000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0019664900000000, -0.0006052000000000, -0.0027843300000000 ] - [ -0.0002390700000000, 0.0002526300000000, -0.0003585200000000 ] - [ 0.0001648700000000, 0.0001983900000000, 0.0001935800000000 ] - [ 0.0009851400000000, 0.0003991900000000, 0.0019429800000000 ] - [ -0.0001401100000000, 0.0000123100000000, -0.0002703200000000 ] - [ -0.0001221300000000, -0.0001421000000000, 0.0002410000000000 ] - [ -0.0001374300000000, 0.0000946500000000, -0.0009225400000000 ] - [ -0.0002164100000000, -0.0004207000000000, -0.0007344800000000 ] - [ -0.0000355800000000, 0.0000248100000000, 0.0001891100000000 ] - [ -0.0007818700000000, -0.0004938600000000, 0.0015104900000000 ] - [ -0.0000051500000000, 0.0004616300000000, -0.0004462800000000 ] - [ -0.0000865800000000, 0.0001477700000000, 0.0000641200000000 ] - [ 0.0001114500000000, -0.0000026500000000, -0.0000864100000000 ] - [ 0.0005419700000000, 0.0031580000000000, 0.0037608100000000 ] - [ -0.0000409100000000, -0.0001314000000000, 0.0001370000000000 ] - [ 0.0016748000000000, 0.0021703300000000, -0.0028700900000000 ] - [ 0.0007576800000000, -0.0002491700000000, 0.0003643000000000 ] - [ 0.0002239100000000, -0.0002183400000000, 0.0003053500000000 ] - [ -0.0000163800000000, -0.0001863100000000, 0.0000604400000000 ] - [ 0.0018130300000000, -0.0002121600000000, 0.0016658100000000 ] - [ 0.0000049100000000, -0.0000302400000000, -0.0000491700000000 ] - [ -0.0017076400000000, 0.0003539400000000, -0.0003914400000000 ] - [ 0.0006940300000000, 0.0083398600000000, -0.0012603900000000 ] - [ 0.0000579400000000, 0.0000106900000000, -0.0000624700000000 ] - [ -0.0002332500000000, 0.0001895600000000, 0.0002374200000000 ] - [ 0.0013629700000000, -0.0005613000000000, -0.0011881400000000 ] - [ -0.0017537800000000, 0.0050060400000000, 0.0044927900000000 ] - [ 0.0001079600000000, 0.0002648700000000, -0.0001458800000000 ] - [ 0.0001200200000000, -0.0680599800000000, -0.0020124800000000 ] - [ 0.0000251600000000, -0.0000240200000000, 0.0001019200000000 ] - [ -0.0000253000000000, -0.0000215000000000, -0.0000933700000000 ] - [ -0.0009116100000000, 0.0011719500000000, 0.0006334300000000 ] - [ -0.0010175400000000, 0.0043459200000000, -0.0041109000000000 ] - [ 0.0000370900000000, -0.0002578700000000, 0.0000184900000000 ] - [ -0.0000365400000000, 0.0002708600000000, -0.0002107800000000 ] - [ -0.0000265000000000, 0.0003409600000000, -0.0000330000000000 ] - [ 0.0016594000000000, 0.0061217000000000, 0.0012163500000000 ] - [ 0.0000324400000000, 0.0000251400000000, 0.0000840000000000 ] - [ -0.0002916800000000, -0.0022691700000000, -0.0003584300000000 ] - [ -0.0001386500000000, 0.0000570600000000, 0.0000907200000000 ] - [ -0.0000660400000000, 0.0000537500000000, -0.0000010200000000 ] - [ -0.0063356900000000, 0.0186927000000000, 0.0046111600000000 ] - [ 0.0007482300000000, 0.0008243400000000, -0.0006760500000000 ] - [ 0.0004923200000000, -0.0005049100000000, 0.0007346900000000 ] - [ 0.0002873500000000, -0.0003065300000000, -0.0001628600000000 ] - [ -0.0000260200000000, 0.0049236400000000, -0.0002421400000000 ] - [ 0.0001089900000000, -0.0000965800000000, 0.0000882300000000 ] - [ -0.0018387000000000, 0.0060306600000000, -0.0029768000000000 ] - [ 0.0040342300000000, 0.0063344100000000, 0.0007447100000000 ] - [ -0.0000921000000000, -0.0000391600000000, 0.0000141900000000 ] - [ 0.0001545500000000, 0.0001646100000000, 0.0004683800000000 ] - [ -0.0004543300000000, -0.0015138600000000, -0.0004004900000000 ] - [ 0.0007365600000000, 0.0007560600000000, 0.0004944700000000 ] - [ -0.0003026400000000, 0.0008957300000000, 0.0001307300000000 ] - [ -0.0008653000000000, -0.0003143300000000, -0.0006452400000000 ] - [ -0.0008943300000000, -0.0013446300000000, 0.0005064900000000 ] - [ 0.0000977500000000, 0.0000096300000000, 0.0000995400000000 ] - [ 0.0037709800000000, 0.0059021500000000, -0.0017087300000000 ]- atom: 29 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0019635200000000, 0.0006213300000000, 0.0027795000000000 ] - [ 0.0002364300000000, -0.0002542100000000, 0.0003581700000000 ] - [ -0.0001141800000000, -0.0001802100000000, -0.0003171000000000 ] - [ -0.0009990900000000, -0.0003389600000000, -0.0020333800000000 ] - [ 0.0001606400000000, -0.0000677700000000, 0.0001484700000000 ] - [ 0.0000661300000000, 0.0001166400000000, -0.0003527200000000 ] - [ 0.0000776600000000, -0.0001115300000000, 0.0010474600000000 ] - [ 0.0002460200000000, 0.0003671700000000, 0.0008755600000000 ] - [ 0.0000163600000000, 0.0000304800000000, -0.0000618700000000 ] - [ 0.0008402500000000, 0.0005101500000000, -0.0013829200000000 ] - [ 0.0000555500000000, -0.0004167500000000, 0.0004049400000000 ] - [ 0.0000419400000000, -0.0001081300000000, -0.0001158400000000 ] - [ -0.0000635200000000, -0.0000361800000000, 0.0000408900000000 ] - [ -0.0005699800000000, -0.0031963600000000, -0.0037666300000000 ] - [ 0.0000054800000000, 0.0000857800000000, -0.0000799800000000 ] - [ -0.0016382600000000, -0.0022071500000000, 0.0029366600000000 ] - [ -0.0008079000000000, 0.0002824900000000, -0.0003153300000000 ] - [ -0.0001785000000000, 0.0002697400000000, -0.0002329900000000 ] - [ 0.0000157300000000, 0.0001869100000000, 0.0001343100000000 ] - [ -0.0017819800000000, 0.0002446300000000, -0.0014559200000000 ] - [ -0.0000084300000000, 0.0000121500000000, 0.0000117900000000 ] - [ 0.0017018900000000, -0.0003833800000000, 0.0003425900000000 ] - [ -0.0007508900000000, -0.0083250500000000, 0.0011936100000000 ] - [ -0.0000532900000000, 0.0000074200000000, 0.0000243300000000 ] - [ 0.0002358300000000, -0.0001746400000000, -0.0001913700000000 ] - [ -0.0014188600000000, 0.0005476600000000, 0.0012521400000000 ] - [ 0.0018001700000000, -0.0050496100000000, -0.0045031700000000 ] - [ -0.0001110500000000, -0.0002826800000000, 0.0001912300000000 ] - [ 0.0000334200000000, 0.0675611200000000, 0.0015567100000000 ] - [ 0.0000158200000000, 0.0000019000000000, 0.0000728000000000 ] - [ -0.0000158600000000, 0.0000441500000000, 0.0002685100000000 ] - [ 0.0009606000000000, -0.0011152300000000, -0.0004669500000000 ] - [ 0.0010192500000000, -0.0042773300000000, 0.0038962200000000 ] - [ -0.0000772600000000, 0.0002784400000000, -0.0001843000000000 ] - [ 0.0000778400000000, -0.0002883200000000, 0.0000430400000000 ] - [ 0.0000068600000000, -0.0003812100000000, -0.0001397700000000 ] - [ -0.0016229200000000, -0.0061146400000000, -0.0014244300000000 ] - [ -0.0000330500000000, -0.0000263900000000, -0.0002712100000000 ] - [ 0.0002179500000000, 0.0021766000000000, 0.0003356200000000 ] - [ 0.0002337500000000, -0.0001414400000000, -0.0001235500000000 ] - [ -0.0000266200000000, 0.0000262900000000, -0.0000342800000000 ] - [ 0.0059503500000000, -0.0174321500000000, -0.0043624300000000 ] - [ -0.0006754400000000, -0.0007500700000000, 0.0006974800000000 ] - [ -0.0005810600000000, 0.0005829700000000, -0.0007187200000000 ] - [ -0.0001916500000000, 0.0002269700000000, 0.0001832400000000 ] - [ -0.0000787600000000, -0.0050169200000000, 0.0003035600000000 ] - [ -0.0002008400000000, 0.0001192600000000, -0.0001240000000000 ] - [ 0.0020681700000000, -0.0068606800000000, 0.0031864500000000 ] - [ -0.0038979100000000, -0.0062244100000000, -0.0007366700000000 ] - [ 0.0001833000000000, 0.0000203200000000, -0.0000529700000000 ] - [ -0.0000596200000000, -0.0001901200000000, -0.0004449000000000 ] - [ 0.0004797400000000, 0.0015875300000000, 0.0004332200000000 ] - [ -0.0007494700000000, -0.0008325700000000, -0.0004674700000000 ] - [ 0.0002107400000000, -0.0008708300000000, -0.0001076200000000 ] - [ 0.0008587100000000, 0.0003157700000000, 0.0005247800000000 ] - [ 0.0008906400000000, 0.0013549700000000, -0.0006118400000000 ] - [ -0.0001000200000000, -0.0000107800000000, -0.0000026600000000 ] - [ -0.0038643000000000, -0.0059131300000000, 0.0018397100000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0040619800000000, -0.0020765400000000, 0.0054700900000000 ] - [ 0.0000699800000000, -0.0001805600000000, 0.0005420900000000 ] - [ -0.0000095700000000, -0.0000238200000000, 0.0003864000000000 ] - [ -0.0000962400000000, 0.0005320000000000, 0.0011904500000000 ] - [ 0.0000289600000000, -0.0002349300000000, -0.0001701300000000 ] - [ -0.0005442600000000, -0.0007407000000000, 0.0016105200000000 ] - [ 0.0000501000000000, -0.0003222800000000, 0.0004673300000000 ] - [ 0.0012741300000000, 0.0002085800000000, 0.0023971800000000 ] - [ 0.0001098300000000, -0.0000434400000000, 0.0004375700000000 ] - [ -0.0018773000000000, 0.0009466800000000, 0.0027773100000000 ] - [ -0.0002054500000000, 0.0004746300000000, -0.0000321000000000 ] - [ 0.0000786300000000, -0.0000210000000000, 0.0004062100000000 ] - [ 0.0000213000000000, -0.0001331000000000, 0.0005852600000000 ] - [ 0.0001333000000000, 0.0032830600000000, 0.0029803600000000 ] - [ 0.0000919100000000, 0.0001893400000000, 0.0003747500000000 ] - [ -0.0013809500000000, -0.0016336500000000, 0.0023663300000000 ] - [ -0.0006059800000000, -0.0000092800000000, 0.0005418900000000 ] - [ 0.0010700200000000, 0.0004602600000000, 0.0025563200000000 ] - [ 0.0000345900000000, 0.0000651000000000, 0.0008005300000000 ] - [ 0.0043394800000000, 0.0016242000000000, 0.0010082400000000 ] - [ -0.0000890200000000, -0.0000059600000000, 0.0007892600000000 ] - [ 0.0008882600000000, 0.0002059900000000, -0.0012930900000000 ] - [ -0.0004883900000000, 0.0007834600000000, -0.0010964100000000 ] - [ -0.0000016400000000, 0.0000765200000000, 0.0007613700000000 ] - [ -0.0000135300000000, 0.0001775700000000, 0.0009406000000000 ] - [ -0.0045739100000000, -0.0013961200000000, 0.0007026400000000 ] - [ -0.0017825600000000, 0.0049915700000000, 0.0011325500000000 ] - [ -0.0000071700000000, -0.0001250600000000, 0.0006185800000000 ] - [ 0.0013976300000000, -0.0017898200000000, -0.0690530100000000 ] - [ 0.0001996600000000, -0.0000953500000000, 0.0009004500000000 ] - [ -0.0000045600000000, 0.0001754000000000, 0.0009007900000000 ] - [ -0.0012126400000000, -0.0005261300000000, -0.0013858000000000 ] - [ 0.0012422300000000, -0.0039630900000000, 0.0005493000000000 ] - [ 0.0001064400000000, 0.0001306000000000, 0.0008865100000000 ] - [ 0.0001218800000000, -0.0001297500000000, 0.0008867900000000 ] - [ -0.0000648200000000, -0.0000722400000000, -0.0006214400000000 ] - [ 0.0000891800000000, -0.0008786300000000, -0.0014256200000000 ] - [ -0.0000640900000000, -0.0001241900000000, 0.0006749900000000 ] - [ -0.0001107200000000, 0.0002102600000000, 0.0012859700000000 ] - [ 0.0003249500000000, 0.0000083300000000, -0.0015861100000000 ] - [ 0.0000821600000000, -0.0003316400000000, -0.0016125900000000 ] - [ -0.0001336000000000, 0.0025156000000000, 0.0055585400000000 ] - [ -0.0000602200000000, -0.0005327900000000, 0.0007386900000000 ] - [ 0.0001184700000000, 0.0001898900000000, -0.0017161400000000 ] - [ 0.0001191200000000, -0.0004636600000000, -0.0015753200000000 ] - [ -0.0030010200000000, -0.0006665600000000, 0.0278411000000000 ] - [ -0.0000676800000000, 0.0000548000000000, -0.0011593000000000 ] - [ 0.0006682200000000, -0.0020418700000000, 0.0048767300000000 ] - [ 0.0032139900000000, 0.0008490100000000, 0.0055118300000000 ] - [ -0.0000030700000000, 0.0002837100000000, -0.0014719800000000 ] - [ -0.0004219600000000, 0.0001945800000000, -0.0012080600000000 ] - [ -0.0005844600000000, 0.0000541400000000, 0.0005045400000000 ] - [ -0.0000933200000000, 0.0006168200000000, 0.0004157800000000 ] - [ 0.0001568300000000, 0.0000878100000000, -0.0015963100000000 ] - [ -0.0007170400000000, -0.0000465600000000, -0.0013894200000000 ] - [ 0.0006843500000000, 0.0000915200000000, 0.0004069300000000 ] - [ -0.0003207100000000, -0.0001330000000000, -0.0015389100000000 ] - [ -0.0022417000000000, -0.0007397700000000, 0.0061489500000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0040031400000000, 0.0020475900000000, -0.0054181800000000 ] - [ -0.0000692300000000, 0.0001833100000000, -0.0005401000000000 ] - [ 0.0000373000000000, 0.0000651900000000, -0.0005047400000000 ] - [ 0.0000552100000000, -0.0004943700000000, -0.0013001300000000 ] - [ 0.0000083800000000, 0.0002040400000000, 0.0000421500000000 ] - [ 0.0005268800000000, 0.0007079400000000, -0.0017456200000000 ] - [ -0.0000836100000000, 0.0002727200000000, -0.0003489400000000 ] - [ -0.0012488400000000, -0.0002365500000000, -0.0023001200000000 ] - [ -0.0001526700000000, 0.0000712300000000, -0.0003138800000000 ] - [ 0.0018692400000000, -0.0008879200000000, -0.0026290200000000 ] - [ 0.0002659800000000, -0.0004612900000000, -0.0000207800000000 ] - [ -0.0000866100000000, 0.0000784300000000, -0.0004562500000000 ] - [ -0.0000136600000000, 0.0000779300000000, -0.0006407300000000 ] - [ -0.0001854200000000, -0.0032300000000000, -0.0029955800000000 ] - [ -0.0001511700000000, -0.0001982100000000, -0.0003219000000000 ] - [ 0.0013676200000000, 0.0015439900000000, -0.0022889600000000 ] - [ 0.0005900500000000, 0.0000717600000000, -0.0004941900000000 ] - [ -0.0010266100000000, -0.0004604300000000, -0.0025354400000000 ] - [ -0.0000313600000000, -0.0000632100000000, -0.0006197700000000 ] - [ -0.0043826200000000, -0.0016426400000000, -0.0008259600000000 ] - [ 0.0000918100000000, -0.0000222900000000, -0.0008160400000000 ] - [ -0.0008556600000000, -0.0002073500000000, 0.0012784400000000 ] - [ 0.0004725400000000, -0.0007948300000000, 0.0010860000000000 ] - [ -0.0000005200000000, -0.0000488000000000, -0.0007853300000000 ] - [ 0.0000127400000000, -0.0001514500000000, -0.0009242900000000 ] - [ 0.0045921600000000, 0.0014088000000000, -0.0006847700000000 ] - [ 0.0018274000000000, -0.0050363700000000, -0.0011149200000000 ] - [ 0.0000088700000000, 0.0000967400000000, -0.0006004400000000 ] - [ -0.0015623800000000, 0.0017753600000000, 0.0709197500000000 ] - [ -0.0001616200000000, 0.0000737900000000, -0.0007312500000000 ] - [ -0.0000344800000000, -0.0001549400000000, -0.0007307300000000 ] - [ 0.0012369000000000, 0.0005753300000000, 0.0015713800000000 ] - [ -0.0012314800000000, 0.0040454900000000, -0.0007251800000000 ] - [ -0.0001476800000000, -0.0001090800000000, -0.0010663100000000 ] - [ -0.0000808900000000, 0.0001102300000000, -0.0010653100000000 ] - [ 0.0000418100000000, 0.0000335400000000, 0.0004546400000000 ] - [ -0.0000952500000000, 0.0008734200000000, 0.0012460300000000 ] - [ 0.0000648400000000, 0.0001251000000000, -0.0008661400000000 ] - [ 0.0000585100000000, -0.0003186700000000, -0.0013083600000000 ] - [ -0.0002246100000000, -0.0000571700000000, 0.0015711700000000 ] - [ -0.0001886200000000, 0.0003855500000000, 0.0015997200000000 ] - [ 0.0001986000000000, -0.0024503200000000, -0.0056779600000000 ] - [ 0.0001147300000000, 0.0006390600000000, -0.0007343100000000 ] - [ -0.0002242700000000, -0.0001405800000000, 0.0017445300000000 ] - [ -0.0000151400000000, 0.0004117500000000, 0.0016079800000000 ] - [ 0.0030143300000000, 0.0006006600000000, -0.0293321100000000 ] - [ -0.0000114500000000, -0.0000517000000000, 0.0011484900000000 ] - [ -0.0006620600000000, 0.0019171300000000, -0.0049341600000000 ] - [ -0.0031672300000000, -0.0007588200000000, -0.0055816900000000 ] - [ 0.0000827500000000, -0.0002934500000000, 0.0014652400000000 ] - [ 0.0005049100000000, -0.0002040400000000, 0.0012350300000000 ] - [ 0.0005914000000000, 0.0000219300000000, -0.0005091300000000 ] - [ 0.0000873000000000, -0.0006979000000000, -0.0004170500000000 ] - [ -0.0002381000000000, -0.0000834200000000, 0.0016346300000000 ] - [ 0.0007141900000000, 0.0000504200000000, 0.0013023600000000 ] - [ -0.0006874900000000, -0.0000934900000000, -0.0005214400000000 ] - [ 0.0003250300000000, 0.0001352900000000, 0.0016457200000000 ] - [ 0.0022624000000000, 0.0007455900000000, -0.0061261000000000 ]- atom: 39 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0005896600000000, 0.0005700400000000, 0.0009131700000000 ] - [ 0.0002240900000000, 0.0002205300000000, 0.0001664300000000 ] - [ 0.0000769500000000, 0.0000817200000000, 0.0000982100000000 ] - [ -0.0009461200000000, -0.0006490100000000, -0.0000968100000000 ] - [ 0.0021356100000000, 0.0035817900000000, -0.0043199200000000 ] - [ 0.0000623400000000, -0.0000811900000000, -0.0000169100000000 ] - [ -0.0005463700000000, 0.0006139300000000, 0.0002402800000000 ] - [ -0.0000870600000000, -0.0001506100000000, 0.0002966700000000 ] - [ 0.0001575400000000, 0.0000317200000000, 0.0002047600000000 ] - [ 0.0005247900000000, 0.0003707100000000, -0.0005857300000000 ] - [ 0.0095631100000000, -0.0042323700000000, -0.0133111400000000 ] - [ -0.0002457900000000, 0.0001429500000000, 0.0000909500000000 ] - [ 0.0001174900000000, -0.0001095000000000, 0.0000584300000000 ] - [ -0.0009909200000000, 0.0001100700000000, 0.0000706300000000 ] - [ 0.0002354100000000, -0.0000152700000000, 0.0000322400000000 ] - [ 0.0019722600000000, 0.0008685100000000, -0.0013149500000000 ] - [ 0.0007566700000000, -0.0014860900000000, -0.0002912300000000 ] - [ -0.0000472800000000, 0.0000772300000000, 0.0001573600000000 ] - [ 0.0001774400000000, -0.0005213400000000, -0.0003708100000000 ] - [ 0.0009612000000000, -0.0008762700000000, 0.0006380200000000 ] - [ -0.0000858400000000, -0.0000181000000000, 0.0001406000000000 ] - [ 0.0053820600000000, -0.0032781300000000, -0.0015594700000000 ] - [ 0.0204935800000000, 0.0057911900000000, -0.0041165500000000 ] - [ -0.0000224100000000, 0.0000571900000000, 0.0001938100000000 ] - [ -0.0000778200000000, 0.0002325300000000, 0.0002609000000000 ] - [ 0.0008262000000000, -0.0003789200000000, -0.0006754500000000 ] - [ -0.0013837400000000, 0.0004466100000000, -0.0000244500000000 ] - [ 0.0008824300000000, 0.0002224800000000, 0.0009229400000000 ] - [ -0.0022093000000000, -0.0002717000000000, -0.0000148800000000 ] - [ 0.0000346600000000, -0.0000543700000000, 0.0004297000000000 ] - [ 0.0000787700000000, 0.0000393300000000, 0.0001031800000000 ] - [ 0.0064405600000000, -0.0060867600000000, 0.0002463500000000 ] - [ -0.0015616500000000, 0.0007404300000000, -0.0001525000000000 ] - [ -0.0002875700000000, -0.0001297800000000, 0.0003690800000000 ] - [ -0.0005245600000000, -0.0000432400000000, 0.0000991100000000 ] - [ 0.0047538200000000, 0.0000144800000000, 0.0029689800000000 ] - [ 0.0096863900000000, 0.0029023200000000, 0.0023783900000000 ] - [ -0.0000238300000000, 0.0000329300000000, 0.0000317300000000 ] - [ -0.0880062700000000, 0.0027450400000000, 0.0172712900000000 ] - [ 0.0001220800000000, 0.0000197100000000, -0.0003918500000000 ] - [ -0.0000198600000000, -0.0000198400000000, -0.0004383700000000 ] - [ 0.0185299300000000, -0.0097955100000000, 0.0002467000000000 ] - [ -0.0008103000000000, 0.0009677900000000, 0.0023907300000000 ] - [ 0.0003362900000000, -0.0008334200000000, 0.0017838200000000 ] - [ -0.0011028800000000, 0.0008422800000000, -0.0007667800000000 ] - [ 0.0007787300000000, -0.0000093000000000, -0.0000738300000000 ] - [ -0.0000495500000000, 0.0000130800000000, -0.0006073100000000 ] - [ 0.0167921800000000, -0.0065602100000000, -0.0005124500000000 ] - [ -0.0007359200000000, 0.0074011300000000, -0.0010590500000000 ] - [ 0.0001058800000000, -0.0000405100000000, -0.0003555900000000 ] - [ -0.0010444300000000, -0.0011013700000000, -0.0006142900000000 ] - [ -0.0003120200000000, -0.0005784500000000, -0.0051065000000000 ] - [ -0.0003315600000000, 0.0003742400000000, -0.0015596000000000 ] - [ 0.0005931800000000, 0.0003352800000000, -0.0001061000000000 ] - [ 0.0024591400000000, 0.0005471300000000, -0.0015055000000000 ] - [ -0.0008676800000000, -0.0007085500000000, 0.0047834100000000 ] - [ -0.0000596600000000, 0.0000237000000000, -0.0001023600000000 ] - [ -0.0022907300000000, 0.0076117300000000, 0.0024625100000000 ]- atom: 39 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005892000000000, -0.0005673700000000, -0.0009265300000000 ] - [ -0.0002156100000000, -0.0002185100000000, -0.0001671000000000 ] - [ -0.0000220600000000, -0.0000659700000000, -0.0002172400000000 ] - [ 0.0009341600000000, 0.0007179300000000, -0.0000601400000000 ] - [ -0.0020865300000000, -0.0036379300000000, 0.0042291100000000 ] - [ -0.0001182800000000, 0.0000635200000000, -0.0000999500000000 ] - [ 0.0005940300000000, -0.0005625600000000, -0.0000456200000000 ] - [ 0.0001049600000000, 0.0000962600000000, -0.0001673800000000 ] - [ -0.0001756400000000, 0.0000228400000000, -0.0000804200000000 ] - [ -0.0004771300000000, -0.0003452000000000, 0.0006979500000000 ] - [ -0.0096660400000000, 0.0043785700000000, 0.0136256000000000 ] - [ 0.0001946200000000, -0.0001062100000000, -0.0001366200000000 ] - [ -0.0000718800000000, 0.0000744800000000, -0.0001047000000000 ] - [ 0.0009601100000000, -0.0001563800000000, -0.0001453500000000 ] - [ -0.0002719800000000, -0.0000299500000000, 0.0000203500000000 ] - [ -0.0019133500000000, -0.0008661300000000, 0.0014116000000000 ] - [ -0.0008045500000000, 0.0015239800000000, 0.0003370400000000 ] - [ 0.0000869100000000, -0.0000300800000000, -0.0000999800000000 ] - [ -0.0001737800000000, 0.0005209300000000, 0.0005589800000000 ] - [ -0.0009502100000000, 0.0008549700000000, -0.0004326800000000 ] - [ 0.0000801300000000, 0.0000014300000000, -0.0001805100000000 ] - [ -0.0053692200000000, 0.0032356300000000, 0.0015075000000000 ] - [ -0.0192821200000000, -0.0053758700000000, 0.0038245300000000 ] - [ 0.0000272600000000, -0.0000397800000000, -0.0002344800000000 ] - [ 0.0000816300000000, -0.0002160400000000, -0.0002234900000000 ] - [ -0.0008536200000000, 0.0003993300000000, 0.0007326200000000 ] - [ 0.0013952200000000, -0.0004615000000000, 0.0000693100000000 ] - [ -0.0008834900000000, -0.0002335700000000, -0.0008747600000000 ] - [ 0.0021904200000000, 0.0002375800000000, 0.0001852700000000 ] - [ 0.0000064100000000, 0.0000347300000000, -0.0002566700000000 ] - [ -0.0001200000000000, -0.0000193500000000, 0.0000682100000000 ] - [ -0.0064132600000000, 0.0061932000000000, -0.0000553300000000 ] - [ 0.0015865000000000, -0.0006833500000000, -0.0000083800000000 ] - [ 0.0002461200000000, 0.0001433400000000, -0.0005368700000000 ] - [ 0.0005630400000000, 0.0000272100000000, -0.0002618400000000 ] - [ -0.0047457700000000, -0.0000384600000000, -0.0030761100000000 ] - [ -0.0105720200000000, -0.0031893000000000, -0.0027222700000000 ] - [ 0.0000241900000000, -0.0000332700000000, -0.0002193100000000 ] - [ 0.0875509400000000, -0.0032151900000000, -0.0174260900000000 ] - [ -0.0000281400000000, -0.0001022500000000, 0.0003565800000000 ] - [ -0.0000730800000000, 0.0001020100000000, 0.0004053900000000 ] - [ -0.0183294200000000, 0.0097189800000000, -0.0002626100000000 ] - [ 0.0009046000000000, -0.0009040300000000, -0.0023671800000000 ] - [ -0.0004334700000000, 0.0009287800000000, -0.0017560800000000 ] - [ 0.0011822300000000, -0.0009198100000000, 0.0007930200000000 ] - [ -0.0008609500000000, -0.0000844900000000, 0.0000875200000000 ] - [ -0.0000408600000000, 0.0000099900000000, 0.0005751800000000 ] - [ -0.0169445000000000, 0.0066111800000000, 0.0005124700000000 ] - [ 0.0007948000000000, -0.0073765700000000, 0.0010543700000000 ] - [ -0.0000156000000000, 0.0000200100000000, 0.0003234600000000 ] - [ 0.0011241100000000, 0.0010689100000000, 0.0006463700000000 ] - [ 0.0003096800000000, 0.0006609300000000, 0.0050750000000000 ] - [ 0.0002967400000000, -0.0004404600000000, 0.0015911900000000 ] - [ -0.0006842900000000, -0.0003257800000000, 0.0001407700000000 ] - [ -0.0024314800000000, -0.0005337200000000, 0.0013996900000000 ] - [ 0.0008948400000000, 0.0007164600000000, -0.0049511700000000 ] - [ 0.0000576200000000, -0.0000248600000000, 0.0002049000000000 ] - [ 0.0022478400000000, -0.0075592300000000, -0.0023371400000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001073700000000, -0.0007250300000000, -0.0011456100000000 ] - [ 0.0001857000000000, 0.0005460700000000, -0.0001424500000000 ] - [ 0.0000788700000000, 0.0003046000000000, -0.0000202600000000 ] - [ 0.0006841900000000, -0.0002753000000000, 0.0006005000000000 ] - [ 0.0029276900000000, 0.0081654800000000, -0.0109471600000000 ] - [ -0.0000115600000000, 0.0000085100000000, -0.0001258300000000 ] - [ 0.0010192600000000, 0.0038305500000000, 0.0026473700000000 ] - [ 0.0000159300000000, -0.0000544400000000, 0.0000202800000000 ] - [ -0.0002667900000000, -0.0000738500000000, 0.0001579300000000 ] - [ 0.0001643000000000, -0.0005369300000000, 0.0006632400000000 ] - [ -0.0042858100000000, 0.0024584400000000, 0.0069263800000000 ] - [ -0.0001122600000000, 0.0001316900000000, -0.0000388300000000 ] - [ -0.0000623100000000, 0.0000695900000000, -0.0000029000000000 ] - [ -0.0008775900000000, 0.0001798000000000, 0.0005305700000000 ] - [ -0.0002955400000000, 0.0000317200000000, 0.0002950000000000 ] - [ 0.0007116500000000, 0.0002035200000000, -0.0020249000000000 ] - [ -0.0002958200000000, -0.0006332900000000, 0.0002797900000000 ] - [ 0.0000690500000000, -0.0001034500000000, -0.0000133900000000 ] - [ 0.0001189100000000, -0.0006642600000000, -0.0000215600000000 ] - [ -0.0007927300000000, -0.0015761300000000, 0.0001884700000000 ] - [ -0.0000888600000000, -0.0000384300000000, -0.0000905600000000 ] - [ -0.0033846100000000, 0.0145096500000000, 0.0023531000000000 ] - [ 0.0052876500000000, 0.0069026400000000, -0.0012872100000000 ] - [ -0.0000701600000000, 0.0000238300000000, -0.0001424600000000 ] - [ 0.0000691900000000, 0.0001973300000000, 0.0001198000000000 ] - [ -0.0006618000000000, -0.0017781100000000, 0.0000807500000000 ] - [ 0.0009033800000000, 0.0007414600000000, 0.0006857100000000 ] - [ 0.0003533800000000, 0.0009093400000000, 0.0003871300000000 ] - [ 0.0006338900000000, -0.0022442000000000, 0.0003574500000000 ] - [ 0.0000404900000000, -0.0000541200000000, 0.0002271600000000 ] - [ 0.0001646900000000, 0.0000533000000000, -0.0001818600000000 ] - [ -0.0069451600000000, 0.0186607300000000, -0.0024649100000000 ] - [ 0.0006036200000000, 0.0008037800000000, -0.0006702600000000 ] - [ -0.0002597100000000, -0.0001936800000000, -0.0000227500000000 ] - [ -0.0005176000000000, 0.0000815900000000, -0.0002620700000000 ] - [ 0.0002766800000000, 0.0049414800000000, 0.0005673900000000 ] - [ 0.0025919100000000, 0.0047924200000000, 0.0009908100000000 ] - [ -0.0000050400000000, 0.0000810100000000, -0.0000962200000000 ] - [ 0.0029983500000000, -0.0891696600000000, 0.0029099700000000 ] - [ -0.0000522800000000, -0.0000153300000000, 0.0001565800000000 ] - [ 0.0000535000000000, 0.0001168100000000, -0.0000024700000000 ] - [ -0.0096856600000000, -0.0013831800000000, -0.0013679900000000 ] - [ 0.0009822600000000, -0.0004177800000000, -0.0071845900000000 ] - [ 0.0003706300000000, -0.0010966300000000, 0.0022348300000000 ] - [ -0.0003840400000000, 0.0003457600000000, -0.0013241300000000 ] - [ -0.0000055600000000, 0.0008322900000000, -0.0000609900000000 ] - [ -0.0000115500000000, 0.0000109800000000, 0.0000334900000000 ] - [ -0.0073148900000000, -0.0021957500000000, 0.0016666800000000 ] - [ 0.0070995300000000, 0.0160207900000000, -0.0008813800000000 ] - [ -0.0000380400000000, -0.0000446700000000, 0.0001283800000000 ] - [ -0.0004357600000000, 0.0006871500000000, 0.0009406800000000 ] - [ -0.0007459600000000, -0.0005354500000000, -0.0014938700000000 ] - [ 0.0004861700000000, -0.0006061000000000, 0.0046883300000000 ] - [ -0.0003709600000000, 0.0008070000000000, 0.0001346600000000 ] - [ 0.0008987400000000, -0.0002346500000000, -0.0008879600000000 ] - [ -0.0004930400000000, -0.0004064700000000, 0.0017317400000000 ] - [ -0.0000674800000000, 0.0000906800000000, 0.0001948600000000 ] - [ 0.0088563300000000, 0.0175168800000000, 0.0000055400000000 ]- atom: 39 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001169000000000, 0.0007228600000000, 0.0011297700000000 ] - [ -0.0001810200000000, -0.0005545200000000, 0.0001409500000000 ] - [ -0.0000505700000000, -0.0002595500000000, -0.0000938500000000 ] - [ -0.0007282400000000, 0.0002978700000000, -0.0007273400000000 ] - [ -0.0030094200000000, -0.0083678700000000, 0.0111818600000000 ] - [ -0.0000154200000000, -0.0000524700000000, 0.0000109600000000 ] - [ -0.0009731100000000, -0.0038191500000000, -0.0024135900000000 ] - [ 0.0000275700000000, 0.0000278200000000, 0.0001049200000000 ] - [ 0.0002223600000000, 0.0001052200000000, -0.0000326300000000 ] - [ -0.0001409100000000, 0.0005828800000000, -0.0005699000000000 ] - [ 0.0043295800000000, -0.0024844900000000, -0.0069663600000000 ] - [ 0.0001037700000000, -0.0000728200000000, -0.0000098000000000 ] - [ 0.0000713700000000, -0.0001299700000000, -0.0000461600000000 ] - [ 0.0008176100000000, -0.0001916100000000, -0.0005926800000000 ] - [ 0.0002324100000000, -0.0000409900000000, -0.0002343800000000 ] - [ -0.0007115200000000, -0.0002391800000000, 0.0020746900000000 ] - [ 0.0002782000000000, 0.0006521300000000, -0.0002383100000000 ] - [ -0.0000122600000000, 0.0001118800000000, 0.0000688900000000 ] - [ -0.0001143900000000, 0.0006663300000000, 0.0002081100000000 ] - [ 0.0007795600000000, 0.0015811700000000, 0.0000028900000000 ] - [ 0.0000894800000000, 0.0000101100000000, 0.0000733100000000 ] - [ 0.0037377400000000, -0.0156006700000000, -0.0025751300000000 ] - [ -0.0052448600000000, -0.0068962500000000, 0.0012686700000000 ] - [ 0.0000685700000000, 0.0000046600000000, 0.0001249400000000 ] - [ -0.0000741500000000, -0.0001718300000000, -0.0001035500000000 ] - [ 0.0006484200000000, 0.0017675500000000, -0.0000531300000000 ] - [ -0.0008567300000000, -0.0007295000000000, -0.0006542200000000 ] - [ -0.0003412500000000, -0.0009359300000000, -0.0003667000000000 ] - [ -0.0006565000000000, 0.0022052000000000, -0.0001793000000000 ] - [ -0.0000013100000000, 0.0000308000000000, -0.0000508700000000 ] - [ -0.0002053600000000, -0.0000308400000000, 0.0003603200000000 ] - [ 0.0065340700000000, -0.0174669800000000, 0.0024960500000000 ] - [ -0.0005977300000000, -0.0007728900000000, 0.0005100100000000 ] - [ 0.0002213800000000, 0.0002047500000000, -0.0001491900000000 ] - [ 0.0005534600000000, -0.0000954700000000, 0.0000881100000000 ] - [ -0.0003027000000000, -0.0049968500000000, -0.0006922400000000 ] - [ -0.0026119900000000, -0.0048009800000000, -0.0011711500000000 ] - [ 0.0000053400000000, -0.0000808300000000, -0.0000843300000000 ] - [ -0.0029440800000000, 0.0891687300000000, -0.0030763300000000 ] - [ 0.0001576800000000, -0.0000351000000000, -0.0001890400000000 ] - [ -0.0001566100000000, -0.0000659300000000, -0.0000289900000000 ] - [ 0.0097945300000000, 0.0015330900000000, 0.0013586700000000 ] - [ -0.0009224300000000, 0.0004957200000000, 0.0071220900000000 ] - [ -0.0004782400000000, 0.0011558300000000, -0.0021990300000000 ] - [ 0.0004645900000000, -0.0003907900000000, 0.0013584100000000 ] - [ -0.0000475000000000, -0.0009375200000000, 0.0000749600000000 ] - [ -0.0000676200000000, -0.0000069400000000, -0.0000547000000000 ] - [ 0.0072401800000000, 0.0020789700000000, -0.0016666400000000 ] - [ -0.0072322000000000, -0.0160445800000000, 0.0009039600000000 ] - [ 0.0001148000000000, 0.0000411500000000, -0.0001490500000000 ] - [ 0.0005218500000000, -0.0007045800000000, -0.0009178400000000 ] - [ 0.0007278100000000, 0.0006053500000000, 0.0015179700000000 ] - [ -0.0005006200000000, 0.0005528600000000, -0.0047246300000000 ] - [ 0.0002920900000000, -0.0008039200000000, -0.0001052800000000 ] - [ -0.0008638800000000, 0.0002378600000000, 0.0007633500000000 ] - [ 0.0005214600000000, 0.0004204200000000, -0.0018332800000000 ] - [ 0.0000656600000000, -0.0000907600000000, -0.0001060000000000 ] - [ -0.0086958200000000, -0.0173894500000000, 0.0001117700000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0007892200000000, -0.0015037400000000, 0.0021473600000000 ] - [ 0.0007274900000000, -0.0004878900000000, -0.0024875500000000 ] - [ -0.0003375800000000, 0.0002480100000000, -0.0019326900000000 ] - [ 0.0006338700000000, -0.0000965200000000, 0.0021285300000000 ] - [ -0.0042581400000000, -0.0126927900000000, 0.0158565900000000 ] - [ 0.0000962200000000, -0.0003334000000000, -0.0014792600000000 ] - [ 0.0039783400000000, 0.0048183800000000, 0.0070245300000000 ] - [ 0.0001217100000000, -0.0002135500000000, -0.0009744600000000 ] - [ 0.0000236200000000, 0.0003575700000000, -0.0018084100000000 ] - [ -0.0005417600000000, 0.0004998400000000, 0.0017690800000000 ] - [ -0.0141594600000000, 0.0070730800000000, 0.0173281200000000 ] - [ -0.0001509000000000, 0.0001303100000000, -0.0015025600000000 ] - [ -0.0002082900000000, -0.0003371800000000, -0.0014577500000000 ] - [ 0.0008362500000000, 0.0005850900000000, 0.0018182000000000 ] - [ 0.0001755800000000, 0.0002288800000000, -0.0014438700000000 ] - [ 0.0005817300000000, -0.0007450800000000, 0.0000919000000000 ] - [ 0.0006577700000000, 0.0008868300000000, 0.0018014800000000 ] - [ -0.0001124500000000, 0.0002976200000000, -0.0008505900000000 ] - [ -0.0006813900000000, -0.0003721300000000, -0.0011153700000000 ] - [ 0.0003876100000000, 0.0008100000000000, 0.0009224000000000 ] - [ 0.0001360100000000, -0.0001105300000000, -0.0012878000000000 ] - [ -0.0023074500000000, 0.0046786000000000, 0.0059130700000000 ] - [ -0.0050122100000000, -0.0012175500000000, 0.0060841000000000 ] - [ -0.0000378600000000, 0.0000044300000000, -0.0016742600000000 ] - [ -0.0000415700000000, 0.0003346800000000, -0.0006129900000000 ] - [ -0.0007352700000000, -0.0002815500000000, 0.0008345500000000 ] - [ -0.0007132500000000, 0.0003530200000000, 0.0006977400000000 ] - [ -0.0004142400000000, -0.0000679800000000, -0.0020904600000000 ] - [ 0.0002632400000000, -0.0003683100000000, 0.0013778100000000 ] - [ 0.0000039000000000, -0.0000620900000000, -0.0015189600000000 ] - [ 0.0000856400000000, 0.0000853500000000, -0.0014902000000000 ] - [ 0.0008699800000000, -0.0044774200000000, 0.0057474500000000 ] - [ 0.0004335900000000, -0.0006627400000000, 0.0006455300000000 ] - [ 0.0001519700000000, 0.0008252200000000, -0.0016715200000000 ] - [ 0.0007441600000000, -0.0008153100000000, -0.0018103300000000 ] - [ 0.0005890500000000, 0.0002365500000000, 0.0277905400000000 ] - [ 0.0037908600000000, 0.0014760700000000, 0.0048260800000000 ] - [ 0.0000982700000000, 0.0000029600000000, -0.0016595400000000 ] - [ 0.0176890400000000, 0.0029836400000000, -0.0903708400000000 ] - [ 0.0000332300000000, -0.0004613300000000, 0.0030946500000000 ] - [ 0.0001243300000000, 0.0004140400000000, 0.0030949200000000 ] - [ -0.0002302400000000, 0.0014297300000000, -0.0058691700000000 ] - [ 0.0024008000000000, -0.0070638800000000, 0.0024230300000000 ] - [ 0.0012891200000000, -0.0007298300000000, 0.0032395800000000 ] - [ 0.0022558500000000, -0.0018105400000000, 0.0032435600000000 ] - [ 0.0000404500000000, 0.0000203700000000, 0.0002523800000000 ] - [ 0.0001584200000000, 0.0000584000000000, 0.0032129300000000 ] - [ -0.0017160900000000, -0.0006542600000000, -0.0069836200000000 ] - [ 0.0001975000000000, -0.0013335600000000, -0.0069021400000000 ] - [ -0.0002229900000000, 0.0000008000000000, 0.0024647300000000 ] - [ -0.0003321300000000, 0.0028307200000000, 0.0041975100000000 ] - [ -0.0053774800000000, -0.0018666900000000, 0.0023240600000000 ] - [ -0.0016227100000000, 0.0051154200000000, 0.0017124900000000 ] - [ -0.0004135000000000, 0.0006188400000000, 0.0013286100000000 ] - [ -0.0041892000000000, -0.0012101300000000, 0.0059362900000000 ] - [ 0.0059477700000000, 0.0020265800000000, 0.0020218400000000 ] - [ -0.0003069700000000, -0.0001070300000000, 0.0028351700000000 ] - [ -0.0006110000000000, 0.0006519900000000, -0.0071924400000000 ]- atom: 39 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0007878300000000, 0.0014888400000000, -0.0021466300000000 ] - [ -0.0007296000000000, 0.0004901300000000, 0.0025023300000000 ] - [ 0.0003955700000000, -0.0002322700000000, 0.0018250000000000 ] - [ -0.0006427900000000, 0.0001590400000000, -0.0022556100000000 ] - [ 0.0039573800000000, 0.0121667700000000, -0.0151848900000000 ] - [ -0.0001508700000000, 0.0003159300000000, 0.0013632900000000 ] - [ -0.0038509400000000, -0.0045919400000000, -0.0064986600000000 ] - [ -0.0001056200000000, 0.0001605400000000, 0.0011015500000000 ] - [ -0.0000407500000000, -0.0003019200000000, 0.0019393100000000 ] - [ 0.0005931800000000, -0.0004729600000000, -0.0016484100000000 ] - [ 0.0136356900000000, -0.0068337900000000, -0.0165507800000000 ] - [ 0.0001040900000000, -0.0000917300000000, 0.0014582300000000 ] - [ 0.0002594200000000, 0.0003026800000000, 0.0014181700000000 ] - [ -0.0008603700000000, -0.0006301100000000, -0.0018713600000000 ] - [ -0.0002168900000000, -0.0002811700000000, 0.0015103100000000 ] - [ -0.0005293000000000, 0.0007105500000000, -0.0000339800000000 ] - [ -0.0007108500000000, -0.0008448500000000, -0.0017530300000000 ] - [ 0.0001515200000000, -0.0002514700000000, 0.0009050000000000 ] - [ 0.0006854500000000, 0.0003791400000000, 0.0013170900000000 ] - [ -0.0003955800000000, -0.0008050400000000, -0.0007410000000000 ] - [ -0.0001406800000000, 0.0000937700000000, 0.0012495200000000 ] - [ 0.0023264300000000, -0.0047140000000000, -0.0058676800000000 ] - [ 0.0050434800000000, 0.0012426400000000, -0.0060356700000000 ] - [ 0.0000433700000000, 0.0000112400000000, 0.0016373000000000 ] - [ 0.0000421700000000, -0.0003213800000000, 0.0006600400000000 ] - [ 0.0007272400000000, 0.0002719800000000, -0.0007995700000000 ] - [ 0.0007289800000000, -0.0003631500000000, -0.0006664300000000 ] - [ 0.0004183700000000, 0.0000503700000000, 0.0021327200000000 ] - [ -0.0002842800000000, 0.0003254500000000, -0.0012145200000000 ] - [ 0.0000370500000000, 0.0000447200000000, 0.0016948300000000 ] - [ -0.0001287000000000, -0.0000667200000000, 0.0016678300000000 ] - [ -0.0008575900000000, 0.0044916000000000, -0.0054875100000000 ] - [ -0.0004138800000000, 0.0007105300000000, -0.0008280400000000 ] - [ -0.0001939800000000, -0.0008163600000000, 0.0015118300000000 ] - [ -0.0007092600000000, 0.0008024700000000, 0.0016498400000000 ] - [ -0.0006457500000000, -0.0003096400000000, -0.0293830400000000 ] - [ -0.0038229300000000, -0.0014874000000000, -0.0049719200000000 ] - [ -0.0000960200000000, -0.0000028400000000, 0.0014778500000000 ] - [ -0.0170125000000000, -0.0030031500000000, 0.0895083500000000 ] - [ 0.0000595500000000, 0.0003817000000000, -0.0031387400000000 ] - [ -0.0002204900000000, -0.0003334900000000, -0.0031383300000000 ] - [ 0.0002799000000000, -0.0012979300000000, 0.0058333600000000 ] - [ -0.0023563200000000, 0.0072418900000000, -0.0024239300000000 ] - [ -0.0013921600000000, 0.0008304500000000, -0.0032190200000000 ] - [ -0.0021790000000000, 0.0017290000000000, -0.0032149900000000 ] - [ -0.0001221500000000, -0.0001147300000000, -0.0002213600000000 ] - [ -0.0002512200000000, -0.0000384500000000, -0.0032556600000000 ] - [ 0.0017138200000000, 0.0005358900000000, 0.0069213400000000 ] - [ -0.0001574200000000, 0.0014449000000000, 0.0068482600000000 ] - [ 0.0003169300000000, -0.0000237100000000, -0.0025067300000000 ] - [ 0.0004242900000000, -0.0028621000000000, -0.0041621500000000 ] - [ 0.0054583500000000, 0.0019786700000000, -0.0023028400000000 ] - [ 0.0016155900000000, -0.0052576200000000, -0.0016881200000000 ] - [ 0.0003226400000000, -0.0005984400000000, -0.0012921000000000 ] - [ 0.0041987300000000, 0.0012162500000000, -0.0060312900000000 ] - [ -0.0060109400000000, -0.0020457800000000, -0.0021355700000000 ] - [ 0.0003108400000000, 0.0001089300000000, -0.0027430700000000 ] - [ 0.0005909600000000, -0.0006919000000000, 0.0072793200000000 ]- atom: 47 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0001153900000000, 0.0000053200000000, -0.0001369700000000 ] - [ 0.0103053100000000, -0.0038706700000000, 0.0072448200000000 ] - [ 0.0023192500000000, -0.0035139900000000, -0.0014700700000000 ] - [ -0.0002975200000000, 0.0000165600000000, -0.0000943200000000 ] - [ 0.0002436900000000, -0.0000477300000000, -0.0002125800000000 ] - [ 0.0012074100000000, 0.0004264100000000, 0.0010077700000000 ] - [ 0.0000524900000000, -0.0001000400000000, 0.0001619000000000 ] - [ -0.0006782200000000, -0.0009003700000000, -0.0005616400000000 ] - [ 0.0002021300000000, 0.0032355500000000, -0.0008924200000000 ] - [ 0.0000660200000000, 0.0000801200000000, 0.0001155100000000 ] - [ 0.0003145200000000, -0.0000152700000000, 0.0001037600000000 ] - [ 0.0012532500000000, 0.0029558000000000, 0.0019568200000000 ] - [ 0.0006948100000000, -0.0013248900000000, 0.0002785900000000 ] - [ -0.0002808900000000, -0.0000039600000000, -0.0001454900000000 ] - [ 0.0018180100000000, 0.0030937700000000, 0.0048785300000000 ] - [ 0.0000961600000000, -0.0001457500000000, 0.0002779700000000 ] - [ -0.0000348000000000, 0.0000223600000000, 0.0001034000000000 ] - [ 0.0001473200000000, -0.0004533100000000, -0.0005132300000000 ] - [ 0.0006558300000000, -0.0004926600000000, 0.0007789600000000 ] - [ 0.0000762200000000, 0.0001168100000000, 0.0000726800000000 ] - [ -0.0018627300000000, -0.0005400200000000, -0.0000000800000000 ] - [ 0.0000263200000000, -0.0000327900000000, -0.0001779000000000 ] - [ -0.0000471600000000, 0.0000151400000000, -0.0001697000000000 ] - [ 0.0052992400000000, -0.0017428900000000, 0.0012255300000000 ] - [ -0.0013722500000000, 0.0007162300000000, 0.0001534200000000 ] - [ 0.0002029100000000, -0.0003138100000000, 0.0002701800000000 ] - [ -0.0006525700000000, 0.0002556300000000, 0.0007280900000000 ] - [ 0.0052221100000000, -0.0004750200000000, -0.0018741300000000 ] - [ -0.0001023100000000, 0.0001346000000000, 0.0000506700000000 ] - [ 0.0063066100000000, -0.0037856800000000, -0.0007265000000000 ] - [ 0.0067776200000000, 0.0018303300000000, -0.0019907300000000 ] - [ 0.0000603800000000, -0.0001175200000000, 0.0001206400000000 ] - [ -0.0006198300000000, 0.0001261000000000, -0.0005382500000000 ] - [ 0.0007679900000000, -0.0007619900000000, -0.0007317400000000 ] - [ -0.0015317300000000, 0.0008999500000000, -0.0000580200000000 ] - [ 0.0008068300000000, -0.0002799800000000, -0.0002797300000000 ] - [ 0.0000060900000000, 0.0000423600000000, 0.0000798700000000 ] - [ 0.0164139300000000, 0.0049801400000000, 0.0043063400000000 ] - [ -0.0000459000000000, -0.0000133900000000, 0.0001955500000000 ] - [ 0.0160288900000000, -0.0073530000000000, 0.0013767600000000 ] - [ -0.0021579200000000, 0.0065939400000000, -0.0006006900000000 ] - [ 0.0001016500000000, -0.0000362200000000, 0.0002548400000000 ] - [ -0.0010372900000000, -0.0004326700000000, -0.0003652800000000 ] - [ -0.0006338200000000, -0.0003679200000000, -0.0051986900000000 ] - [ -0.0005346200000000, 0.0005933100000000, -0.0019074200000000 ] - [ 0.0005992100000000, -0.0003690700000000, 0.0003823000000000 ] - [ -0.0790935600000000, -0.0003605800000000, -0.0138524700000000 ] - [ 0.0000029500000000, 0.0000072300000000, -0.0001719300000000 ] - [ -0.0000383900000000, -0.0000064100000000, 0.0000043300000000 ] - [ 0.0141399700000000, -0.0054457200000000, -0.0011962500000000 ] - [ -0.0003232000000000, 0.0005584100000000, 0.0012767900000000 ] - [ 0.0011236500000000, 0.0017916200000000, 0.0013698500000000 ] - [ -0.0016436000000000, -0.0017984300000000, 0.0012249800000000 ] - [ 0.0007333100000000, -0.0000272800000000, 0.0000277400000000 ] - [ -0.0005520900000000, -0.0006044400000000, 0.0048104200000000 ] - [ 0.0004258700000000, 0.0007687000000000, -0.0019179900000000 ] - [ -0.0008635000000000, 0.0064593400000000, 0.0007958200000000 ] - [ 0.0000213300000000, 0.0000077400000000, 0.0001493700000000 ]- atom: 47 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001134700000000, -0.0000041800000000, 0.0001401800000000 ] - [ -0.0100437300000000, 0.0037093000000000, -0.0069056200000000 ] - [ -0.0024797400000000, 0.0036250800000000, 0.0014695800000000 ] - [ 0.0002541600000000, 0.0000270700000000, -0.0000225100000000 ] - [ -0.0002054600000000, 0.0000067300000000, 0.0000832300000000 ] - [ -0.0012330500000000, -0.0005066300000000, -0.0010909700000000 ] - [ -0.0000919800000000, 0.0000551400000000, -0.0000372700000000 ] - [ 0.0007100700000000, 0.0008493400000000, 0.0006681900000000 ] - [ -0.0002365500000000, -0.0031943400000000, 0.0010331600000000 ] - [ -0.0000259600000000, -0.0000379300000000, 0.0000086200000000 ] - [ -0.0002674300000000, 0.0000315000000000, -0.0001580500000000 ] - [ -0.0013395900000000, -0.0028844200000000, -0.0019686100000000 ] - [ -0.0007575200000000, 0.0012338300000000, -0.0003124300000000 ] - [ 0.0002347500000000, -0.0000159000000000, 0.0000988900000000 ] - [ -0.0019425800000000, -0.0031015900000000, -0.0048285500000000 ] - [ -0.0000723300000000, 0.0000951600000000, -0.0002218300000000 ] - [ 0.0000152500000000, 0.0000255600000000, -0.0000514800000000 ] - [ -0.0001124600000000, 0.0004845000000000, 0.0005585600000000 ] - [ -0.0006430800000000, 0.0004766100000000, -0.0005750200000000 ] - [ -0.0000784200000000, -0.0001118300000000, 0.0001261800000000 ] - [ 0.0018598300000000, 0.0005153200000000, -0.0000342500000000 ] - [ -0.0000042100000000, 0.0000298200000000, 0.0001423900000000 ] - [ 0.0000254000000000, -0.0000110500000000, 0.0001344200000000 ] - [ -0.0053251000000000, 0.0018242600000000, -0.0012716000000000 ] - [ 0.0013797100000000, -0.0006850000000000, -0.0001139100000000 ] - [ -0.0002287500000000, 0.0003168700000000, -0.0002369500000000 ] - [ 0.0006722000000000, -0.0002619400000000, -0.0006961100000000 ] - [ -0.0052236500000000, 0.0004471300000000, 0.0018817300000000 ] - [ 0.0000802900000000, -0.0001710900000000, 0.0001172500000000 ] - [ -0.0062564700000000, 0.0036781400000000, 0.0008918000000000 ] - [ -0.0061100100000000, -0.0015958100000000, 0.0019804900000000 ] - [ -0.0000371000000000, 0.0001538400000000, 0.0000453100000000 ] - [ 0.0006482300000000, -0.0000925700000000, 0.0003778400000000 ] - [ -0.0008170600000000, 0.0008064000000000, 0.0005729300000000 ] - [ 0.0015652900000000, -0.0009374400000000, -0.0000995100000000 ] - [ -0.0008300600000000, 0.0002374600000000, 0.0001051800000000 ] - [ -0.0000068000000000, -0.0000413900000000, -0.0002776200000000 ] - [ -0.0174136500000000, -0.0053094300000000, -0.0048038300000000 ] - [ -0.0000227600000000, -0.0000848000000000, -0.0002153900000000 ] - [ -0.0160206500000000, 0.0074398400000000, -0.0014021800000000 ] - [ 0.0021012700000000, -0.0065914200000000, 0.0005890500000000 ] - [ -0.0000340800000000, 0.0001318400000000, -0.0002865900000000 ] - [ 0.0011168700000000, 0.0005413500000000, 0.0003923000000000 ] - [ 0.0005087900000000, 0.0004325100000000, 0.0051751500000000 ] - [ 0.0006212300000000, -0.0006317500000000, 0.0019389600000000 ] - [ -0.0006639200000000, 0.0002782400000000, -0.0003527100000000 ] - [ 0.0794659600000000, 0.0006371700000000, 0.0138175100000000 ] - [ -0.0000130100000000, -0.0000842800000000, 0.0001549200000000 ] - [ 0.0000505800000000, 0.0000849300000000, -0.0000214100000000 ] - [ -0.0139746900000000, 0.0053122300000000, 0.0011893300000000 ] - [ 0.0004096900000000, -0.0005932600000000, -0.0012509700000000 ] - [ -0.0011056800000000, -0.0017148000000000, -0.0013534500000000 ] - [ 0.0016413600000000, 0.0017081600000000, -0.0012044300000000 ] - [ -0.0008102100000000, 0.0000391900000000, -0.0000198700000000 ] - [ 0.0005720600000000, 0.0006094400000000, -0.0049646600000000 ] - [ -0.0004271900000000, -0.0007804200000000, 0.0018142400000000 ] - [ 0.0008291700000000, -0.0063915500000000, -0.0006824600000000 ] - [ -0.0000207100000000, -0.0000091600000000, -0.0000471700000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002265300000000, -0.0002692400000000, 0.0000507300000000 ] - [ -0.0027443600000000, 0.0057949200000000, -0.0034996700000000 ] - [ -0.0035983900000000, 0.0035763700000000, 0.0019812900000000 ] - [ -0.0000082200000000, 0.0000363000000000, -0.0000716600000000 ] - [ 0.0000795300000000, 0.0002943600000000, 0.0001953100000000 ] - [ 0.0024196700000000, -0.0004853200000000, 0.0027217300000000 ] - [ -0.0000396600000000, 0.0000926300000000, 0.0000671200000000 ] - [ -0.0002941000000000, 0.0000260200000000, -0.0001926000000000 ] - [ -0.0020077100000000, 0.0035001600000000, -0.0008002800000000 ] - [ 0.0000919900000000, -0.0002258100000000, -0.0002311500000000 ] - [ -0.0000725800000000, 0.0003742400000000, -0.0003088700000000 ] - [ -0.0000072500000000, -0.0007289100000000, -0.0013612400000000 ] - [ 0.0002225700000000, 0.0035936500000000, -0.0036622300000000 ] - [ -0.0001178400000000, 0.0000100600000000, -0.0001501400000000 ] - [ 0.0051903200000000, 0.0069984900000000, 0.0070402900000000 ] - [ 0.0000992000000000, -0.0001108300000000, 0.0000378100000000 ] - [ -0.0000418200000000, -0.0002540200000000, -0.0002595000000000 ] - [ -0.0009871400000000, -0.0009307000000000, -0.0000261000000000 ] - [ -0.0005579400000000, -0.0014592600000000, -0.0000092200000000 ] - [ -0.0005538700000000, -0.0005446200000000, -0.0004860700000000 ] - [ 0.0005881800000000, -0.0020493800000000, -0.0002301200000000 ] - [ -0.0000178000000000, 0.0000361200000000, 0.0000343600000000 ] - [ 0.0000218600000000, 0.0000191000000000, -0.0000116900000000 ] - [ -0.0019970300000000, 0.0099895100000000, -0.0034080600000000 ] - [ 0.0006730100000000, 0.0007993900000000, -0.0006038900000000 ] - [ -0.0000707000000000, -0.0006867600000000, 0.0003981800000000 ] - [ 0.0005461700000000, -0.0000157800000000, -0.0003031600000000 ] - [ -0.0002916200000000, 0.0048030000000000, -0.0002952100000000 ] - [ -0.0000922400000000, -0.0001283300000000, 0.0001468500000000 ] - [ -0.0038048300000000, 0.0097898700000000, 0.0031834900000000 ] - [ 0.0019592100000000, 0.0045159400000000, -0.0005723400000000 ] - [ -0.0000287400000000, -0.0000087900000000, -0.0001955800000000 ] - [ 0.0002093200000000, 0.0001965300000000, 0.0001089700000000 ] - [ -0.0007593600000000, -0.0014001900000000, -0.0001812100000000 ] - [ 0.0004980600000000, 0.0008859200000000, 0.0005006300000000 ] - [ -0.0002776900000000, 0.0008629300000000, -0.0001829300000000 ] - [ 0.0001000300000000, -0.0000345500000000, -0.0000975100000000 ] - [ 0.0055038300000000, 0.0071675500000000, 0.0014322900000000 ] - [ -0.0000386900000000, -0.0000463300000000, 0.0000375900000000 ] - [ -0.0071499900000000, -0.0008202400000000, 0.0001699900000000 ] - [ 0.0071533100000000, 0.0168435100000000, 0.0017012800000000 ] - [ 0.0000099500000000, 0.0000133200000000, -0.0000276900000000 ] - [ -0.0010476700000000, 0.0007575900000000, 0.0028605700000000 ] - [ -0.0005620100000000, -0.0002795500000000, -0.0016019000000000 ] - [ 0.0007886100000000, -0.0003410300000000, 0.0054028700000000 ] - [ 0.0002905000000000, 0.0007483000000000, -0.0005905300000000 ] - [ -0.0005273200000000, -0.0809295900000000, -0.0042968100000000 ] - [ -0.0000135000000000, -0.0000954200000000, 0.0001287500000000 ] - [ 0.0000139400000000, 0.0000590700000000, -0.0001568600000000 ] - [ -0.0053001300000000, -0.0011481100000000, -0.0007830400000000 ] - [ 0.0006277700000000, -0.0006028200000000, -0.0037946700000000 ] - [ 0.0006244500000000, -0.0015970600000000, 0.0002363300000000 ] - [ -0.0006223000000000, 0.0010633400000000, -0.0012374800000000 ] - [ -0.0000833600000000, 0.0006205600000000, 0.0000828700000000 ] - [ -0.0005271700000000, -0.0003710000000000, 0.0015237800000000 ] - [ 0.0004165900000000, -0.0023152800000000, -0.0003874800000000 ] - [ 0.0058492700000000, 0.0143499400000000, -0.0003343500000000 ] - [ 0.0000391800000000, 0.0000601800000000, 0.0003081700000000 ]- atom: 47 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002230900000000, 0.0002691100000000, -0.0000457400000000 ] - [ 0.0027924200000000, -0.0057729900000000, 0.0035797700000000 ] - [ 0.0035989300000000, -0.0035284100000000, -0.0020319800000000 ] - [ -0.0000109600000000, 0.0000190400000000, -0.0000493000000000 ] - [ -0.0000607500000000, -0.0003485200000000, -0.0003202100000000 ] - [ -0.0024799900000000, 0.0004378300000000, -0.0028411800000000 ] - [ -0.0000162700000000, -0.0001068100000000, 0.0000539700000000 ] - [ 0.0003014100000000, -0.0000893200000000, 0.0003025400000000 ] - [ 0.0020086100000000, -0.0033903400000000, 0.0009919100000000 ] - [ -0.0000384400000000, 0.0002457100000000, 0.0003608600000000 ] - [ 0.0001117400000000, -0.0003258100000000, 0.0002561700000000 ] - [ -0.0000479000000000, 0.0007794300000000, 0.0013082300000000 ] - [ -0.0002827500000000, -0.0038325500000000, 0.0037813000000000 ] - [ 0.0000809100000000, -0.0000591400000000, 0.0001012100000000 ] - [ -0.0051423200000000, -0.0066975800000000, -0.0067007300000000 ] - [ -0.0000503100000000, 0.0000749800000000, 0.0000131600000000 ] - [ -0.0000073400000000, 0.0002905900000000, 0.0003153900000000 ] - [ 0.0010179400000000, 0.0009986500000000, 0.0000727000000000 ] - [ 0.0005467100000000, 0.0014646200000000, 0.0002047500000000 ] - [ 0.0005526400000000, 0.0005443800000000, 0.0006719300000000 ] - [ -0.0005825600000000, 0.0020336300000000, 0.0001911600000000 ] - [ 0.0000344100000000, -0.0000403000000000, -0.0000761500000000 ] - [ -0.0000387800000000, -0.0000160200000000, -0.0000303200000000 ] - [ 0.0017843600000000, -0.0091759800000000, 0.0031229400000000 ] - [ -0.0006874000000000, -0.0007948600000000, 0.0006554000000000 ] - [ 0.0000481100000000, 0.0006932000000000, -0.0003566100000000 ] - [ -0.0005350200000000, 0.0000085300000000, 0.0003544400000000 ] - [ 0.0002932500000000, -0.0048212200000000, 0.0003258800000000 ] - [ 0.0000715400000000, 0.0000876000000000, 0.0000239600000000 ] - [ 0.0041314500000000, -0.0105984700000000, -0.0032172000000000 ] - [ -0.0019435800000000, -0.0044741900000000, 0.0007419000000000 ] - [ 0.0000488100000000, 0.0000497200000000, 0.0003654500000000 ] - [ -0.0001746600000000, -0.0001585700000000, -0.0002738500000000 ] - [ 0.0007273300000000, 0.0014165700000000, 0.0000158100000000 ] - [ -0.0004366900000000, -0.0008965800000000, -0.0006598300000000 ] - [ 0.0002526100000000, -0.0009029500000000, 0.0000048900000000 ] - [ -0.0001001300000000, 0.0000357500000000, -0.0000956800000000 ] - [ -0.0055887700000000, -0.0071602100000000, -0.0016217000000000 ] - [ -0.0000429100000000, -0.0000469700000000, -0.0000584000000000 ] - [ 0.0071642100000000, 0.0007096600000000, -0.0001835000000000 ] - [ -0.0073849600000000, -0.0168925700000000, -0.0017273500000000 ] - [ 0.0000721400000000, 0.0000811400000000, -0.0000018800000000 ] - [ 0.0011233900000000, -0.0006518300000000, -0.0028328600000000 ] - [ 0.0004418000000000, 0.0003499400000000, 0.0016348400000000 ] - [ -0.0007026600000000, 0.0002795900000000, -0.0054341200000000 ] - [ -0.0003716100000000, -0.0008445300000000, 0.0006261500000000 ] - [ 0.0004723600000000, 0.0807279700000000, 0.0040635500000000 ] - [ -0.0000080800000000, 0.0000033500000000, -0.0001616200000000 ] - [ 0.0000085300000000, 0.0000335100000000, 0.0001258300000000 ] - [ 0.0054482300000000, 0.0011581500000000, 0.0007614500000000 ] - [ -0.0005332500000000, 0.0005607100000000, 0.0037861400000000 ] - [ -0.0005985200000000, 0.0016784400000000, -0.0002021500000000 ] - [ 0.0006005200000000, -0.0011565500000000, 0.0012542900000000 ] - [ -0.0000071400000000, -0.0005978800000000, -0.0000636200000000 ] - [ 0.0005484000000000, 0.0003779800000000, -0.0016243200000000 ] - [ -0.0004181100000000, 0.0023199300000000, 0.0002895600000000 ] - [ -0.0057299600000000, -0.0142844000000000, 0.0004529900000000 ] - [ -0.0000378800000000, -0.0000641300000000, -0.0002002500000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0002013600000000, 0.0001370900000000, -0.0013414000000000 ] - [ 0.0094241600000000, -0.0033038200000000, 0.0139513200000000 ] - [ -0.0041292500000000, 0.0028708600000000, 0.0066563800000000 ] - [ -0.0001779100000000, -0.0000706200000000, -0.0013540900000000 ] - [ -0.0001472300000000, 0.0001151600000000, -0.0019317100000000 ] - [ -0.0030350300000000, 0.0011981300000000, 0.0001417000000000 ] - [ -0.0001844900000000, 0.0002448800000000, -0.0013499800000000 ] - [ -0.0001506200000000, 0.0004891500000000, 0.0017087900000000 ] - [ -0.0018797000000000, -0.0003225200000000, 0.0000677700000000 ] - [ 0.0002674000000000, -0.0001114500000000, -0.0011857900000000 ] - [ 0.0002875500000000, -0.0001028200000000, -0.0015970300000000 ] - [ 0.0012109600000000, -0.0008459000000000, -0.0001303000000000 ] - [ 0.0001359800000000, -0.0064193500000000, 0.0066848700000000 ] - [ -0.0001914400000000, -0.0001511000000000, -0.0010478900000000 ] - [ 0.0056248800000000, 0.0108488200000000, 0.0129610800000000 ] - [ 0.0002796500000000, 0.0002710500000000, -0.0012129900000000 ] - [ -0.0001001600000000, -0.0001959000000000, -0.0011407900000000 ] - [ 0.0023436600000000, -0.0012221300000000, 0.0016678600000000 ] - [ 0.0006940900000000, 0.0004544200000000, 0.0005490000000000 ] - [ -0.0001459200000000, -0.0002326100000000, -0.0010334900000000 ] - [ -0.0005572800000000, 0.0000563900000000, 0.0010909000000000 ] - [ 0.0000566500000000, 0.0000332000000000, -0.0014863800000000 ] - [ 0.0000170100000000, -0.0000229100000000, -0.0014763200000000 ] - [ 0.0013762300000000, -0.0036437600000000, 0.0062755900000000 ] - [ 0.0009281700000000, -0.0004744100000000, 0.0004999100000000 ] - [ 0.0005775600000000, 0.0000572900000000, -0.0009679600000000 ] - [ 0.0001974800000000, -0.0001174900000000, -0.0010907300000000 ] - [ -0.0003191100000000, -0.0000868400000000, 0.0164323700000000 ] - [ -0.0000959800000000, 0.0000857500000000, -0.0010758700000000 ] - [ -0.0007054500000000, 0.0024970600000000, 0.0056235800000000 ] - [ -0.0030568800000000, -0.0012480500000000, 0.0049832500000000 ] - [ -0.0000037700000000, -0.0000143100000000, -0.0013914400000000 ] - [ -0.0001875000000000, 0.0004752500000000, -0.0012920800000000 ] - [ -0.0005006800000000, -0.0007448500000000, 0.0003336500000000 ] - [ -0.0003953900000000, 0.0006827000000000, 0.0004250500000000 ] - [ 0.0002291200000000, -0.0001401200000000, -0.0016939500000000 ] - [ -0.0001195800000000, -0.0000643900000000, -0.0016209700000000 ] - [ 0.0049986700000000, 0.0017444700000000, 0.0068129000000000 ] - [ -0.0006324400000000, 0.0000044800000000, 0.0032236400000000 ] - [ 0.0009387000000000, -0.0011056900000000, -0.0068971400000000 ] - [ 0.0016393600000000, 0.0005631300000000, -0.0069777300000000 ] - [ 0.0003813100000000, -0.0000989900000000, 0.0024713800000000 ] - [ -0.0005878900000000, 0.0009712400000000, 0.0041949700000000 ] - [ -0.0047219100000000, -0.0015264100000000, 0.0017161600000000 ] - [ -0.0014574900000000, 0.0050202700000000, 0.0023251300000000 ] - [ 0.0000814700000000, -0.0001602300000000, 0.0013265600000000 ] - [ -0.0140379500000000, -0.0042333800000000, -0.0724776300000000 ] - [ 0.0001298100000000, -0.0000270800000000, 0.0022281900000000 ] - [ 0.0001551200000000, 0.0002033400000000, 0.0022290300000000 ] - [ 0.0012235300000000, 0.0007689200000000, -0.0075021300000000 ] - [ 0.0012983400000000, -0.0037825400000000, 0.0020844100000000 ] - [ 0.0012569200000000, 0.0012557700000000, 0.0040392900000000 ] - [ 0.0002098200000000, -0.0014027300000000, 0.0040383900000000 ] - [ -0.0000648900000000, -0.0000617700000000, 0.0005315500000000 ] - [ 0.0036916000000000, 0.0012144600000000, 0.0026235200000000 ] - [ -0.0010501200000000, -0.0005204900000000, 0.0037950600000000 ] - [ -0.0008465100000000, 0.0003635800000000, -0.0070577000000000 ] - [ 0.0000287000000000, -0.0001721800000000, 0.0026402900000000 ]- atom: 47 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0002036900000000, -0.0001379000000000, 0.0013435800000000 ] - [ -0.0089912700000000, 0.0030993400000000, -0.0135218300000000 ] - [ 0.0039936800000000, -0.0027339900000000, -0.0065888400000000 ] - [ 0.0001594900000000, 0.0001250400000000, 0.0012329800000000 ] - [ 0.0001685900000000, -0.0001708800000000, 0.0018163500000000 ] - [ 0.0029720600000000, -0.0012099900000000, -0.0002501800000000 ] - [ 0.0001303600000000, -0.0002668100000000, 0.0014769700000000 ] - [ 0.0001657400000000, -0.0005446600000000, -0.0015843500000000 ] - [ 0.0018540900000000, 0.0003687600000000, 0.0000761000000000 ] - [ -0.0002156700000000, 0.0001304800000000, 0.0013103800000000 ] - [ -0.0002527200000000, 0.0001516400000000, 0.0015518500000000 ] - [ -0.0012453400000000, 0.0008758100000000, 0.0000765200000000 ] - [ -0.0001814000000000, 0.0061558800000000, -0.0065503300000000 ] - [ 0.0001555100000000, 0.0001059300000000, 0.0009981100000000 ] - [ -0.0055287700000000, -0.0104690700000000, -0.0125560000000000 ] - [ -0.0002326000000000, -0.0003091300000000, 0.0012652800000000 ] - [ 0.0000538800000000, 0.0002329900000000, 0.0011915100000000 ] - [ -0.0022975400000000, 0.0012776600000000, -0.0016116600000000 ] - [ -0.0006970700000000, -0.0004589200000000, -0.0003693300000000 ] - [ 0.0001460500000000, 0.0002395300000000, 0.0012320800000000 ] - [ 0.0005544900000000, -0.0000729700000000, -0.0011333000000000 ] - [ -0.0000402300000000, -0.0000348600000000, 0.0014440200000000 ] - [ -0.0000369000000000, 0.0000266100000000, 0.0014332300000000 ] - [ -0.0014049600000000, 0.0037850800000000, -0.0063230400000000 ] - [ -0.0009280100000000, 0.0004943500000000, -0.0004665200000000 ] - [ -0.0005982100000000, -0.0000575600000000, 0.0010165200000000 ] - [ -0.0001864100000000, 0.0001128900000000, 0.0011443100000000 ] - [ 0.0003660500000000, 0.0000813200000000, -0.0173874800000000 ] - [ 0.0000757900000000, -0.0001271700000000, 0.0012467900000000 ] - [ 0.0007767500000000, -0.0026081900000000, -0.0054544100000000 ] - [ 0.0031020300000000, 0.0012994300000000, -0.0048116400000000 ] - [ 0.0000242700000000, 0.0000532700000000, 0.0015600400000000 ] - [ 0.0002189700000000, -0.0004372900000000, 0.0011359800000000 ] - [ 0.0004604000000000, 0.0007715100000000, -0.0005142300000000 ] - [ 0.0004392400000000, -0.0007072400000000, -0.0006035600000000 ] - [ -0.0002486300000000, 0.0000972600000000, 0.0015229600000000 ] - [ 0.0001222500000000, 0.0000654700000000, 0.0014286200000000 ] - [ -0.0051132500000000, -0.0017826900000000, -0.0069769800000000 ] - [ 0.0005508900000000, -0.0000973600000000, -0.0032461900000000 ] - [ -0.0008329500000000, 0.0010081200000000, 0.0068525800000000 ] - [ -0.0017083300000000, -0.0004617500000000, 0.0069265900000000 ] - [ -0.0002984200000000, 0.0001910300000000, -0.0025011200000000 ] - [ 0.0006720500000000, -0.0008736500000000, -0.0041634900000000 ] - [ 0.0046772500000000, 0.0016243400000000, -0.0016837800000000 ] - [ 0.0015684100000000, -0.0051613100000000, -0.0023010300000000 ] - [ -0.0001648300000000, 0.0000673200000000, -0.0012928800000000 ] - [ 0.0136221800000000, 0.0041279700000000, 0.0723008700000000 ] - [ -0.0001533600000000, -0.0000626000000000, -0.0022625800000000 ] - [ -0.0001349100000000, -0.0001134700000000, -0.0022618500000000 ] - [ -0.0011515300000000, -0.0007757800000000, 0.0074337100000000 ] - [ -0.0012192300000000, 0.0037982700000000, -0.0020517300000000 ] - [ -0.0012344000000000, -0.0011633700000000, -0.0040073400000000 ] - [ -0.0002290600000000, 0.0013104100000000, -0.0040082800000000 ] - [ -0.0000272900000000, 0.0000848400000000, -0.0004989700000000 ] - [ -0.0037327000000000, -0.0012283800000000, -0.0027334500000000 ] - [ 0.0010463800000000, 0.0005160100000000, -0.0038931100000000 ] - [ 0.0008324000000000, -0.0003848600000000, 0.0071274800000000 ] - [ -0.0000269300000000, 0.0001733000000000, -0.0025359400000000 ]- atom: 55 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0011259200000000, -0.0016465900000000, 0.0000029900000000 ] - [ -0.0005573600000000, 0.0002197400000000, -0.0000028800000000 ] - [ 0.0001920100000000, 0.0000910100000000, 0.0001773200000000 ] - [ 0.0099646900000000, -0.0047197000000000, 0.0065713400000000 ] - [ 0.0103269100000000, -0.0047847100000000, -0.0071002700000000 ] - [ 0.0001905000000000, 0.0000241500000000, -0.0002916500000000 ] - [ 0.0007202100000000, 0.0001198500000000, 0.0001682900000000 ] - [ -0.0001147300000000, 0.0000627100000000, 0.0001098300000000 ] - [ -0.0001827400000000, 0.0000685500000000, 0.0000046200000000 ] - [ 0.0007575600000000, 0.0002016900000000, -0.0000514000000000 ] - [ 0.0022416000000000, 0.0058425000000000, -0.0040403300000000 ] - [ 0.0003179600000000, -0.0001210500000000, -0.0001548500000000 ] - [ 0.0002854200000000, -0.0002003900000000, 0.0001089200000000 ] - [ 0.0021051500000000, 0.0058235700000000, 0.0038458900000000 ] - [ -0.0000642200000000, -0.0001694100000000, -0.0000251700000000 ] - [ -0.0012106500000000, 0.0007229200000000, -0.0005663300000000 ] - [ -0.0011782200000000, 0.0007991700000000, 0.0006294100000000 ] - [ 0.0000111000000000, -0.0001984300000000, 0.0000712200000000 ] - [ -0.0022209000000000, -0.0003198200000000, 0.0000883400000000 ] - [ -0.0002160800000000, 0.0000814900000000, 0.0000897800000000 ] - [ 0.0008784800000000, -0.0002131800000000, 0.0004571400000000 ] - [ -0.0009669900000000, 0.0004997600000000, 0.0005970500000000 ] - [ -0.0010048900000000, 0.0005000000000000, -0.0005947300000000 ] - [ 0.0008820600000000, -0.0001892400000000, -0.0004615700000000 ] - [ 0.0086169000000000, 0.0028578000000000, -0.0040369400000000 ] - [ 0.0000432300000000, -0.0001209700000000, 0.0000871500000000 ] - [ 0.0000838300000000, -0.0001130900000000, -0.0000915300000000 ] - [ 0.0093955900000000, 0.0030680600000000, 0.0042481200000000 ] - [ 0.0000159400000000, -0.0008842200000000, -0.0006214900000000 ] - [ -0.0013295500000000, 0.0005145000000000, -0.0000049100000000 ] - [ -0.0013693400000000, 0.0005331000000000, 0.0001800000000000 ] - [ 0.0000317600000000, -0.0008391300000000, 0.0008097200000000 ] - [ 0.0000117400000000, 0.0001190000000000, -0.0004181600000000 ] - [ 0.0058911800000000, -0.0036700400000000, 0.0006401500000000 ] - [ 0.0059242500000000, -0.0036526400000000, -0.0008452100000000 ] - [ -0.0000166500000000, 0.0000789400000000, 0.0002271000000000 ] - [ 0.0016649000000000, 0.0003139200000000, -0.0000802900000000 ] - [ 0.0049383300000000, -0.0000778800000000, -0.0000731800000000 ] - [ 0.0024502300000000, 0.0008275200000000, -0.0042016600000000 ] - [ -0.0003497300000000, 0.0006827200000000, -0.0020516000000000 ] - [ -0.0004765100000000, 0.0007419900000000, 0.0020209200000000 ] - [ 0.0024409200000000, 0.0009353100000000, 0.0041867300000000 ] - [ -0.0000486400000000, -0.0000110000000000, -0.0002932500000000 ] - [ 0.0173256400000000, -0.0074928500000000, -0.0006567900000000 ] - [ 0.0175814500000000, -0.0076792700000000, 0.0006868800000000 ] - [ -0.0000684200000000, -0.0001217300000000, 0.0003240900000000 ] - [ -0.0006137100000000, -0.0005487300000000, 0.0037292500000000 ] - [ -0.0023143000000000, -0.0008047400000000, 0.0005112900000000 ] - [ -0.0023202800000000, -0.0007453200000000, -0.0005258000000000 ] - [ -0.0005110500000000, -0.0005267500000000, -0.0036954300000000 ] - [ -0.0008218900000000, 0.0058290900000000, -0.0008433400000000 ] - [ 0.0000578000000000, 0.0000249900000000, 0.0001789300000000 ] - [ 0.0000663600000000, -0.0000409300000000, -0.0001672700000000 ] - [ -0.0008713300000000, 0.0057493000000000, 0.0008361800000000 ] - [ -0.0890795400000000, 0.0025664200000000, 0.0002681700000000 ] - [ 0.0000011100000000, 0.0000002600000000, -0.0000447400000000 ] - [ 0.0004876100000000, -0.0000079200000000, 0.0000458900000000 ] - [ 0.0008794100000000, -0.0000003200000000, 0.0000380800000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0014504900000000, -0.0021669000000000, 0.0000105900000000 ] - [ -0.0001012700000000, 0.0002277100000000, -0.0000030000000000 ] - [ -0.0000345800000000, 0.0003989500000000, -0.0001796400000000 ] - [ -0.0027495900000000, 0.0006844800000000, -0.0016898100000000 ] - [ -0.0026930300000000, 0.0007012200000000, 0.0015558300000000 ] - [ -0.0000305300000000, 0.0003246300000000, 0.0000564000000000 ] - [ 0.0017246000000000, 0.0006448600000000, 0.0009663200000000 ] - [ 0.0001344800000000, -0.0001474400000000, -0.0000960700000000 ] - [ 0.0000632700000000, -0.0001460100000000, 0.0002043000000000 ] - [ 0.0017466000000000, 0.0007228300000000, -0.0008466900000000 ] - [ 0.0037462600000000, 0.0082448100000000, -0.0068937700000000 ] - [ -0.0000375100000000, 0.0003708900000000, -0.0003291800000000 ] - [ -0.0000717500000000, 0.0002884900000000, 0.0002731300000000 ] - [ 0.0035019400000000, 0.0081272100000000, 0.0065791300000000 ] - [ 0.0000242300000000, -0.0000229000000000, 0.0000530100000000 ] - [ -0.0002794200000000, 0.0002825700000000, 0.0005448300000000 ] - [ -0.0002431500000000, 0.0003442200000000, -0.0004965000000000 ] - [ 0.0001011700000000, -0.0000567200000000, -0.0000104500000000 ] - [ 0.0009649300000000, -0.0019827100000000, 0.0000857600000000 ] - [ -0.0000560300000000, 0.0000125600000000, 0.0000842400000000 ] - [ -0.0007839200000000, -0.0017032200000000, -0.0000415800000000 ] - [ -0.0002261800000000, 0.0001480400000000, 0.0000430800000000 ] - [ -0.0002661100000000, 0.0001473100000000, -0.0000279500000000 ] - [ -0.0008077000000000, -0.0016552700000000, 0.0000537200000000 ] - [ 0.0027098300000000, 0.0062972800000000, -0.0014181400000000 ] - [ -0.0000533900000000, 0.0000016100000000, -0.0001255400000000 ] - [ -0.0000099200000000, 0.0000097300000000, 0.0001042900000000 ] - [ 0.0027865000000000, 0.0062738400000000, 0.0014024100000000 ] - [ 0.0000131600000000, -0.0003380000000000, 0.0000463300000000 ] - [ 0.0009009400000000, 0.0006225200000000, 0.0007766700000000 ] - [ 0.0008837800000000, 0.0006579900000000, -0.0005958800000000 ] - [ 0.0000273000000000, -0.0002913100000000, 0.0001441400000000 ] - [ 0.0000303700000000, 0.0000306900000000, -0.0002334800000000 ] - [ -0.0036767500000000, 0.0159871100000000, -0.0022514200000000 ] - [ -0.0039634500000000, 0.0170050300000000, 0.0022568200000000 ] - [ 0.0000029400000000, -0.0000100800000000, 0.0000349900000000 ] - [ 0.0002900100000000, 0.0006802400000000, -0.0000870200000000 ] - [ 0.0000026600000000, 0.0047607600000000, -0.0001021200000000 ] - [ 0.0005301600000000, -0.0002880400000000, -0.0012095000000000 ] - [ 0.0005652100000000, -0.0009072200000000, 0.0060026300000000 ] - [ 0.0004487700000000, -0.0008549700000000, -0.0059555800000000 ] - [ 0.0005510900000000, -0.0001831500000000, 0.0012171800000000 ] - [ 0.0000349300000000, 0.0001467600000000, -0.0000892100000000 ] - [ -0.0088787600000000, -0.0022706500000000, -0.0005973900000000 ] - [ -0.0086728100000000, -0.0022683600000000, 0.0006053200000000 ] - [ 0.0000134800000000, 0.0000351200000000, 0.0001258100000000 ] - [ -0.0006514200000000, -0.0003853600000000, 0.0012152700000000 ] - [ -0.0004133600000000, 0.0003886200000000, -0.0010534600000000 ] - [ -0.0004209900000000, 0.0004639400000000, 0.0010431200000000 ] - [ -0.0005624300000000, -0.0003639300000000, -0.0012279800000000 ] - [ 0.0065323300000000, 0.0143673600000000, 0.0003645500000000 ] - [ -0.0000428000000000, 0.0000547700000000, 0.0000390800000000 ] - [ -0.0000341200000000, -0.0000119900000000, -0.0000170800000000 ] - [ 0.0063186400000000, 0.0142678400000000, -0.0003829000000000 ] - [ 0.0025700500000000, -0.0894040700000000, 0.0000203400000000 ] - [ -0.0000002300000000, 0.0000018900000000, -0.0000370400000000 ] - [ -0.0000075500000000, 0.0008551800000000, 0.0000459000000000 ] - [ -0.0000003600000000, 0.0008792200000000, 0.0000431800000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0000000000000000, -0.0000000000000000, 0.0024602700000000 ] - [ -0.0000000000000000, -0.0000000000000000, -0.0019690000000000 ] - [ -0.0000902400000000, -0.0000690600000000, -0.0020184700000000 ] - [ 0.0102567500000000, -0.0045582600000000, 0.0096681100000000 ] - [ -0.0102567500000000, 0.0045582600000000, 0.0096681100000000 ] - [ 0.0000902400000000, 0.0000690600000000, -0.0020184700000000 ] - [ -0.0038579700000000, -0.0007267000000000, 0.0013336000000000 ] - [ -0.0000389900000000, 0.0001843500000000, -0.0012295500000000 ] - [ 0.0000389900000000, -0.0001843500000000, -0.0012295500000000 ] - [ 0.0038579700000000, 0.0007267000000000, 0.0013336000000000 ] - [ -0.0035990500000000, -0.0089081600000000, 0.0097196200000000 ] - [ 0.0001654200000000, -0.0001063100000000, -0.0015562500000000 ] - [ -0.0001654200000000, 0.0001063100000000, -0.0015562500000000 ] - [ 0.0035990500000000, 0.0089081600000000, 0.0097196200000000 ] - [ -0.0001072800000000, -0.0000251000000000, -0.0010210500000000 ] - [ 0.0016589500000000, 0.0012597800000000, 0.0012558100000000 ] - [ -0.0016589500000000, -0.0012597800000000, 0.0012558100000000 ] - [ 0.0001072800000000, 0.0000251000000000, -0.0010210500000000 ] - [ -0.0000000000000000, -0.0000000000000000, 0.0013698000000000 ] - [ -0.0000000000000000, -0.0000000000000000, -0.0011383500000000 ] - [ 0.0006260100000000, 0.0006453000000000, 0.0005895900000000 ] - [ 0.0001568100000000, -0.0006281300000000, -0.0014683400000000 ] - [ -0.0001568100000000, 0.0006281300000000, -0.0014683400000000 ] - [ -0.0006260100000000, -0.0006453000000000, 0.0005895900000000 ] - [ -0.0022281200000000, -0.0008504800000000, 0.0056972400000000 ] - [ -0.0000516200000000, 0.0001074400000000, -0.0016407500000000 ] - [ 0.0000516200000000, -0.0001074400000000, -0.0016407500000000 ] - [ 0.0022281200000000, 0.0008504800000000, 0.0056972400000000 ] - [ -0.0000069700000000, -0.0006115000000000, -0.0012701800000000 ] - [ -0.0005441300000000, 0.0006105000000000, 0.0005515400000000 ] - [ 0.0005441300000000, -0.0006105000000000, 0.0005515400000000 ] - [ 0.0000069700000000, 0.0006115000000000, -0.0012701800000000 ] - [ -0.0000807000000000, 0.0000721800000000, -0.0016776100000000 ] - [ 0.0017586800000000, -0.0047318400000000, 0.0060197500000000 ] - [ -0.0017586800000000, 0.0047318400000000, 0.0060197500000000 ] - [ 0.0000807000000000, -0.0000721800000000, -0.0016776100000000 ] - [ -0.0000000000000000, -0.0000000000000000, -0.0021712100000000 ] - [ -0.0000000000000000, -0.0000000000000000, 0.0230534800000000 ] - [ -0.0014884500000000, -0.0008631700000000, 0.0059694400000000 ] - [ -0.0017541000000000, 0.0048523700000000, 0.0020694400000000 ] - [ 0.0017541000000000, -0.0048523700000000, 0.0020694400000000 ] - [ 0.0014884500000000, 0.0008631700000000, 0.0059694400000000 ] - [ -0.0001107500000000, 0.0001902100000000, 0.0028058300000000 ] - [ 0.0000192400000000, 0.0024294000000000, -0.0072106800000000 ] - [ -0.0000192400000000, -0.0024294000000000, -0.0072106800000000 ] - [ 0.0001107500000000, -0.0001902100000000, 0.0028058300000000 ] - [ 0.0048715800000000, 0.0015907700000000, 0.0026637600000000 ] - [ 0.0003264100000000, -0.0019107500000000, 0.0038234400000000 ] - [ -0.0003264100000000, 0.0019107500000000, 0.0038234400000000 ] - [ -0.0048715800000000, -0.0015907700000000, 0.0026637600000000 ] - [ 0.0007759600000000, -0.0004181100000000, -0.0070628900000000 ] - [ -0.0002444500000000, 0.0001417400000000, 0.0026087300000000 ] - [ 0.0002444500000000, -0.0001417400000000, 0.0026087300000000 ] - [ -0.0007759600000000, 0.0004181100000000, -0.0070628900000000 ] - [ -0.0000000000000000, -0.0000000000000000, -0.0847089000000000 ] - [ -0.0000000000000000, -0.0000000000000000, 0.0032206500000000 ] - [ -0.0000000000000000, -0.0000000000000000, 0.0005830900000000 ] - [ -0.0000000000000000, -0.0000000000000000, 0.0020599000000000 ]- atom: 55 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0000000000000000, 0.0000000000000000, -0.0024543500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019600100000000 ] - [ 0.0001440000000000, 0.0000865900000000, 0.0018837400000000 ] - [ -0.0106789600000000, 0.0046713700000000, -0.0102016700000000 ] - [ 0.0106789600000000, -0.0046713700000000, -0.0102016700000000 ] - [ -0.0001440000000000, -0.0000865900000000, 0.0018837400000000 ] - [ 0.0038127500000000, 0.0006989500000000, -0.0012157600000000 ] - [ 0.0000577300000000, -0.0002355000000000, 0.0013503900000000 ] - [ -0.0000577300000000, 0.0002355000000000, 0.0013503900000000 ] - [ -0.0038127500000000, -0.0006989500000000, -0.0012157600000000 ] - [ 0.0039250300000000, 0.0092451900000000, -0.0102070800000000 ] - [ -0.0002099400000000, 0.0001417500000000, 0.0014944000000000 ] - [ 0.0002099400000000, -0.0001417500000000, 0.0014944000000000 ] - [ -0.0039250300000000, -0.0092451900000000, -0.0102070800000000 ] - [ 0.0000671200000000, -0.0000203400000000, 0.0010705900000000 ] - [ -0.0016172800000000, -0.0013021800000000, -0.0012040300000000 ] - [ 0.0016172800000000, 0.0013021800000000, -0.0012040300000000 ] - [ -0.0000671200000000, 0.0000203400000000, 0.0010705900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0011764400000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0013275800000000 ] - [ -0.0006224400000000, -0.0006672200000000, -0.0006225000000000 ] - [ -0.0001409500000000, 0.0006157200000000, 0.0014147900000000 ] - [ 0.0001409500000000, -0.0006157200000000, 0.0014147900000000 ] - [ 0.0006224400000000, 0.0006672200000000, -0.0006225000000000 ] - [ 0.0021196800000000, 0.0008238900000000, -0.0056505400000000 ] - [ 0.0000333800000000, -0.0001009400000000, 0.0016805100000000 ] - [ -0.0000333800000000, 0.0001009400000000, 0.0016805100000000 ] - [ -0.0021196800000000, -0.0008238900000000, -0.0056505400000000 ] - [ -0.0000104100000000, 0.0005583600000000, 0.0014313000000000 ] - [ 0.0005746600000000, -0.0006297100000000, -0.0003668600000000 ] - [ -0.0005746600000000, 0.0006297100000000, -0.0003668600000000 ] - [ 0.0000104100000000, -0.0005583600000000, 0.0014313000000000 ] - [ 0.0001040800000000, -0.0000293900000000, 0.0014971300000000 ] - [ -0.0017897600000000, 0.0047233400000000, -0.0062640200000000 ] - [ 0.0017897600000000, -0.0047233400000000, -0.0062640200000000 ] - [ -0.0001040800000000, 0.0000293900000000, 0.0014971300000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0019927400000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0220538900000000 ] - [ 0.0014184700000000, 0.0007750600000000, -0.0059982200000000 ] - [ 0.0018237100000000, -0.0048805400000000, -0.0020883800000000 ] - [ -0.0018237100000000, 0.0048805400000000, -0.0020883800000000 ] - [ -0.0014184700000000, -0.0007750600000000, -0.0059982200000000 ] - [ 0.0001948600000000, -0.0000975700000000, -0.0027720900000000 ] - [ -0.0001000500000000, -0.0023721100000000, 0.0072614600000000 ] - [ 0.0001000500000000, 0.0023721100000000, 0.0072614600000000 ] - [ -0.0001948600000000, 0.0000975700000000, -0.0027720900000000 ] - [ -0.0049084100000000, -0.0015574500000000, -0.0026906900000000 ] - [ -0.0003506400000000, 0.0018167800000000, -0.0038623600000000 ] - [ 0.0003506400000000, -0.0018167800000000, -0.0038623600000000 ] - [ 0.0049084100000000, 0.0015574500000000, -0.0026906900000000 ] - [ -0.0006978600000000, 0.0003697600000000, 0.0071201500000000 ] - [ 0.0002644400000000, -0.0000499300000000, -0.0025696200000000 ] - [ -0.0002644400000000, 0.0000499300000000, -0.0025696200000000 ] - [ 0.0006978600000000, -0.0003697600000000, 0.0071201500000000 ] - [ 0.0000000000000000, 0.0000000000000000, 0.0851908900000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0033251000000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0004782800000000 ] - [ 0.0000000000000000, 0.0000000000000000, -0.0019644100000000 ]