# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/8e3d2d69-67ed-44b2-81a3-c9cde5bcb36f/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 LaTa2NO5 / Pc (7) / materials id 777773](https://mdr.nims.go.jp/datasets/e21d2e14-e340-41ab-b36c-ed7a5e77e5ea) ## 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: "Pc" number: 7 Hall_symbol: "P -2yc"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 2, 0 ]- [ 0, 0, 1 ]primitive_cell: lattice: - [ 7.648415400000000, 0.000000000000000, -0.002764830000000 ] # a - [ 0.000000000000000, 5.464838930000000, 0.000000000000000 ] # b - [ 0.006221910000000, 0.000000000000000, 11.162965229999999 ] # c points: - symbol: La # 1 coordinates: [ 0.255895980000000, 0.295621900000000, 0.965621310000000 ] mass: 138.905470 - symbol: La # 2 coordinates: [ 0.743637990000000, 0.792608060000000, 0.542591510000000 ] mass: 138.905470 - symbol: La # 3 coordinates: [ 0.255895980000000, 0.704378100000000, 0.465621310000000 ] mass: 138.905470 - symbol: La # 4 coordinates: [ 0.743637990000000, 0.207391940000000, 0.042591510000000 ] mass: 138.905470 - symbol: Ta # 5 coordinates: [ 0.997295160000000, 0.791022590000000, 0.857617440000000 ] mass: 180.947880 - symbol: Ta # 6 coordinates: [ 0.506907860000000, 0.789716030000000, 0.850400290000000 ] mass: 180.947880 - symbol: Ta # 7 coordinates: [ 0.996153090000000, 0.281963940000000, 0.643757620000000 ] mass: 180.947880 - symbol: Ta # 8 coordinates: [ 0.500517350000000, 0.293015970000000, 0.645501280000000 ] mass: 180.947880 - symbol: Ta # 9 coordinates: [ 0.997295160000000, 0.208977410000000, 0.357617440000000 ] mass: 180.947880 - symbol: Ta # 10 coordinates: [ 0.506907860000000, 0.210283970000000, 0.350400290000000 ] mass: 180.947880 - symbol: Ta # 11 coordinates: [ 0.500517350000000, 0.706984030000000, 0.145501280000000 ] mass: 180.947880 - symbol: Ta # 12 coordinates: [ 0.996153090000000, 0.718036060000000, 0.143757620000000 ] mass: 180.947880 - symbol: N # 13 coordinates: [ 0.552671660000000, 0.625814740000000, 0.705940110000000 ] mass: 14.006700 - symbol: N # 14 coordinates: [ 0.751634880000000, 0.199280650000000, 0.645926940000000 ] mass: 14.006700 - symbol: N # 15 coordinates: [ 0.552671660000000, 0.374185260000000, 0.205940110000000 ] mass: 14.006700 - symbol: N # 16 coordinates: [ 0.751634880000000, 0.800719350000000, 0.145926940000000 ] mass: 14.006700 - symbol: O # 17 coordinates: [ 0.964669590000000, 0.525095400000000, 0.975223560000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.535123340000000, 0.526040170000000, 0.972061590000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.752814860000000, 0.903497030000000, 0.877225970000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.247578970000000, 0.705638890000000, 0.856767320000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.437889690000000, 0.123366650000000, 0.792365690000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.061009320000000, 0.119584620000000, 0.791835430000000 ] mass: 15.999400 - symbol: O # 23 coordinates: [ 0.948175540000000, 0.621542340000000, 0.711486000000000 ] mass: 15.999400 - symbol: O # 24 coordinates: [ 0.247943960000000, 0.398761360000000, 0.618572170000000 ] mass: 15.999400 - symbol: O # 25 coordinates: [ 0.462365360000000, 0.017602570000000, 0.523739810000000 ] mass: 15.999400 - symbol: O # 26 coordinates: [ 0.037716400000000, 0.017770770000000, 0.523364930000000 ] mass: 15.999400 - symbol: O # 27 coordinates: [ 0.964669590000000, 0.474904600000000, 0.475223560000000 ] mass: 15.999400 - symbol: O # 28 coordinates: [ 0.535123340000000, 0.473959830000000, 0.472061590000000 ] mass: 15.999400 - symbol: O # 29 coordinates: [ 0.752814860000000, 0.096502970000000, 0.377225970000000 ] mass: 15.999400 - symbol: O # 30 coordinates: [ 0.247578970000000, 0.294361110000000, 0.356767320000000 ] mass: 15.999400 - symbol: O # 31 coordinates: [ 0.437889690000000, 0.876633350000000, 0.292365690000000 ] mass: 15.999400 - symbol: O # 32 coordinates: [ 0.061009320000000, 0.880415380000000, 0.291835430000000 ] mass: 15.999400 - symbol: O # 33 coordinates: [ 0.948175540000000, 0.378457660000000, 0.211486000000000 ] mass: 15.999400 - symbol: O # 34 coordinates: [ 0.247943960000000, 0.601238640000000, 0.118572170000000 ] mass: 15.999400 - symbol: O # 35 coordinates: [ 0.462365360000000, 0.982397430000000, 0.023739810000000 ] mass: 15.999400 - symbol: O # 36 coordinates: [ 0.037716400000000, 0.982229230000000, 0.023364930000000 ] mass: 15.999400 reciprocal_lattice: # without 2pi - [ 0.130746010280219, 0.000000000000000, -0.000072873998267 ] # a* - [ 0.000000000000000, 0.182988009858874, 0.000000000000000 ] # b* - [ 0.000032383016892, 0.000000000000000, 0.089581914653673 ] # c*unit_cell: lattice: - [ 7.648415400000000, 0.000000000000000, -0.002764830000000 ] # a - [ 0.000000000000000, 5.464838930000000, 0.000000000000000 ] # b - [ 0.006221910000000, 0.000000000000000, 11.162965229999999 ] # c points: - symbol: La # 1 coordinates: [ 0.255895980000000, 0.295621900000000, 0.965621310000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 2 coordinates: [ 0.743637990000000, 0.792608060000000, 0.542591510000000 ] mass: 138.905470 reduced_to: 2 - symbol: La # 3 coordinates: [ 0.255895980000000, 0.704378100000000, 0.465621310000000 ] mass: 138.905470 reduced_to: 3 - symbol: La # 4 coordinates: [ 0.743637990000000, 0.207391940000000, 0.042591510000000 ] mass: 138.905470 reduced_to: 4 - symbol: Ta # 5 coordinates: [ 0.997295160000000, 0.791022590000000, 0.857617440000000 ] mass: 180.947880 reduced_to: 5 - symbol: Ta # 6 coordinates: [ 0.506907860000000, 0.789716030000000, 0.850400290000000 ] mass: 180.947880 reduced_to: 6 - symbol: Ta # 7 coordinates: [ 0.996153090000000, 0.281963940000000, 0.643757620000000 ] mass: 180.947880 reduced_to: 7 - symbol: Ta # 8 coordinates: [ 0.500517350000000, 0.293015970000000, 0.645501280000000 ] mass: 180.947880 reduced_to: 8 - symbol: Ta # 9 coordinates: [ 0.997295160000000, 0.208977410000000, 0.357617440000000 ] mass: 180.947880 reduced_to: 9 - symbol: Ta # 10 coordinates: [ 0.506907860000000, 0.210283970000000, 0.350400290000000 ] mass: 180.947880 reduced_to: 10 - symbol: Ta # 11 coordinates: [ 0.500517350000000, 0.706984030000000, 0.145501280000000 ] mass: 180.947880 reduced_to: 11 - symbol: Ta # 12 coordinates: [ 0.996153090000000, 0.718036060000000, 0.143757620000000 ] mass: 180.947880 reduced_to: 12 - symbol: N # 13 coordinates: [ 0.552671660000000, 0.625814740000000, 0.705940110000000 ] mass: 14.006700 reduced_to: 13 - symbol: N # 14 coordinates: [ 0.751634880000000, 0.199280650000000, 0.645926940000000 ] mass: 14.006700 reduced_to: 14 - symbol: N # 15 coordinates: [ 0.552671660000000, 0.374185260000000, 0.205940110000000 ] mass: 14.006700 reduced_to: 15 - symbol: N # 16 coordinates: [ 0.751634880000000, 0.800719350000000, 0.145926940000000 ] mass: 14.006700 reduced_to: 16 - symbol: O # 17 coordinates: [ 0.964669590000000, 0.525095400000000, 0.975223560000000 ] mass: 15.999400 reduced_to: 17 - symbol: O # 18 coordinates: [ 0.535123340000000, 0.526040170000000, 0.972061590000000 ] mass: 15.999400 reduced_to: 18 - symbol: O # 19 coordinates: [ 0.752814860000000, 0.903497030000000, 0.877225970000000 ] mass: 15.999400 reduced_to: 19 - symbol: O # 20 coordinates: [ 0.247578970000000, 0.705638890000000, 0.856767320000000 ] mass: 15.999400 reduced_to: 20 - symbol: O # 21 coordinates: [ 0.437889690000000, 0.123366650000000, 0.792365690000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.061009320000000, 0.119584620000000, 0.791835430000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.948175540000000, 0.621542340000000, 0.711486000000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.247943960000000, 0.398761360000000, 0.618572170000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.462365360000000, 0.017602570000000, 0.523739810000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.037716400000000, 0.017770770000000, 0.523364930000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.964669590000000, 0.474904600000000, 0.475223560000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.535123340000000, 0.473959830000000, 0.472061590000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.752814860000000, 0.096502970000000, 0.377225970000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.247578970000000, 0.294361110000000, 0.356767320000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.437889690000000, 0.876633350000000, 0.292365690000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.061009320000000, 0.880415380000000, 0.291835430000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.948175540000000, 0.378457660000000, 0.211486000000000 ] mass: 15.999400 reduced_to: 33 - symbol: O # 34 coordinates: [ 0.247943960000000, 0.601238640000000, 0.118572170000000 ] mass: 15.999400 reduced_to: 34 - symbol: O # 35 coordinates: [ 0.462365360000000, 0.982397430000000, 0.023739810000000 ] mass: 15.999400 reduced_to: 35 - symbol: O # 36 coordinates: [ 0.037716400000000, 0.982229230000000, 0.023364930000000 ] mass: 15.999400 reduced_to: 36supercell: lattice: - [ 15.296830800000000, 0.000000000000000, -0.005529660000000 ] # a - [ 0.000000000000000, 10.929677860000000, 0.000000000000000 ] # b - [ 0.006221910000000, 0.000000000000000, 11.162965229999999 ] # c points: - symbol: La # 1 coordinates: [ 0.127947990000000, 0.147810950000000, 0.965621310000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 2 coordinates: [ 0.627947990000000, 0.147810950000000, 0.965621310000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 3 coordinates: [ 0.127947990000000, 0.647810950000000, 0.965621310000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 4 coordinates: [ 0.627947990000000, 0.647810950000000, 0.965621310000000 ] mass: 138.905470 reduced_to: 1 - symbol: La # 5 coordinates: [ 0.371818995000000, 0.396304030000000, 0.542591510000000 ] mass: 138.905470 reduced_to: 5 - symbol: La # 6 coordinates: [ 0.871818995000000, 0.396304030000000, 0.542591510000000 ] mass: 138.905470 reduced_to: 5 - symbol: La # 7 coordinates: [ 0.371818995000000, 0.896304030000000, 0.542591510000000 ] mass: 138.905470 reduced_to: 5 - symbol: La # 8 coordinates: [ 0.871818995000000, 0.896304030000000, 0.542591510000000 ] mass: 138.905470 reduced_to: 5 - symbol: La # 9 coordinates: [ 0.127947990000000, 0.352189050000000, 0.465621310000000 ] mass: 138.905470 reduced_to: 9 - symbol: La # 10 coordinates: [ 0.627947990000000, 0.352189050000000, 0.465621310000000 ] mass: 138.905470 reduced_to: 9 - symbol: La # 11 coordinates: [ 0.127947990000000, 0.852189050000000, 0.465621310000000 ] mass: 138.905470 reduced_to: 9 - symbol: La # 12 coordinates: [ 0.627947990000000, 0.852189050000000, 0.465621310000000 ] mass: 138.905470 reduced_to: 9 - symbol: La # 13 coordinates: [ 0.371818995000000, 0.103695970000000, 0.042591510000000 ] mass: 138.905470 reduced_to: 13 - symbol: La # 14 coordinates: [ 0.871818995000000, 0.103695970000000, 0.042591510000000 ] mass: 138.905470 reduced_to: 13 - symbol: La # 15 coordinates: [ 0.371818995000000, 0.603695970000000, 0.042591510000000 ] mass: 138.905470 reduced_to: 13 - symbol: La # 16 coordinates: [ 0.871818995000000, 0.603695970000000, 0.042591510000000 ] mass: 138.905470 reduced_to: 13 - symbol: Ta # 17 coordinates: [ 0.498647580000000, 0.395511295000000, 0.857617440000000 ] mass: 180.947880 reduced_to: 17 - symbol: Ta # 18 coordinates: [ 0.998647580000000, 0.395511295000000, 0.857617440000000 ] mass: 180.947880 reduced_to: 17 - symbol: Ta # 19 coordinates: [ 0.498647580000000, 0.895511295000000, 0.857617440000000 ] mass: 180.947880 reduced_to: 17 - symbol: Ta # 20 coordinates: [ 0.998647580000000, 0.895511295000000, 0.857617440000000 ] mass: 180.947880 reduced_to: 17 - symbol: Ta # 21 coordinates: [ 0.253453930000000, 0.394858015000000, 0.850400290000000 ] mass: 180.947880 reduced_to: 21 - symbol: Ta # 22 coordinates: [ 0.753453930000000, 0.394858015000000, 0.850400290000000 ] mass: 180.947880 reduced_to: 21 - symbol: Ta # 23 coordinates: [ 0.253453930000000, 0.894858015000000, 0.850400290000000 ] mass: 180.947880 reduced_to: 21 - symbol: Ta # 24 coordinates: [ 0.753453930000000, 0.894858015000000, 0.850400290000000 ] mass: 180.947880 reduced_to: 21 - symbol: Ta # 25 coordinates: [ 0.498076545000000, 0.140981970000000, 0.643757620000000 ] mass: 180.947880 reduced_to: 25 - symbol: Ta # 26 coordinates: [ 0.998076545000000, 0.140981970000000, 0.643757620000000 ] mass: 180.947880 reduced_to: 25 - symbol: Ta # 27 coordinates: [ 0.498076545000000, 0.640981970000000, 0.643757620000000 ] mass: 180.947880 reduced_to: 25 - symbol: Ta # 28 coordinates: [ 0.998076545000000, 0.640981970000000, 0.643757620000000 ] mass: 180.947880 reduced_to: 25 - symbol: Ta # 29 coordinates: [ 0.250258675000000, 0.146507985000000, 0.645501280000000 ] mass: 180.947880 reduced_to: 29 - symbol: Ta # 30 coordinates: [ 0.750258675000000, 0.146507985000000, 0.645501280000000 ] mass: 180.947880 reduced_to: 29 - symbol: Ta # 31 coordinates: [ 0.250258675000000, 0.646507985000000, 0.645501280000000 ] mass: 180.947880 reduced_to: 29 - symbol: Ta # 32 coordinates: [ 0.750258675000000, 0.646507985000000, 0.645501280000000 ] mass: 180.947880 reduced_to: 29 - symbol: Ta # 33 coordinates: [ 0.498647580000000, 0.104488705000000, 0.357617440000000 ] mass: 180.947880 reduced_to: 33 - symbol: Ta # 34 coordinates: [ 0.998647580000000, 0.104488705000000, 0.357617440000000 ] mass: 180.947880 reduced_to: 33 - symbol: Ta # 35 coordinates: [ 0.498647580000000, 0.604488705000000, 0.357617440000000 ] mass: 180.947880 reduced_to: 33 - symbol: Ta # 36 coordinates: [ 0.998647580000000, 0.604488705000000, 0.357617440000000 ] mass: 180.947880 reduced_to: 33 - symbol: Ta # 37 coordinates: [ 0.253453930000000, 0.105141985000000, 0.350400290000000 ] mass: 180.947880 reduced_to: 37 - symbol: Ta # 38 coordinates: [ 0.753453930000000, 0.105141985000000, 0.350400290000000 ] mass: 180.947880 reduced_to: 37 - symbol: Ta # 39 coordinates: [ 0.253453930000000, 0.605141985000000, 0.350400290000000 ] mass: 180.947880 reduced_to: 37 - symbol: Ta # 40 coordinates: [ 0.753453930000000, 0.605141985000000, 0.350400290000000 ] mass: 180.947880 reduced_to: 37 - symbol: Ta # 41 coordinates: [ 0.250258675000000, 0.353492015000000, 0.145501280000000 ] mass: 180.947880 reduced_to: 41 - symbol: Ta # 42 coordinates: [ 0.750258675000000, 0.353492015000000, 0.145501280000000 ] mass: 180.947880 reduced_to: 41 - symbol: Ta # 43 coordinates: [ 0.250258675000000, 0.853492015000000, 0.145501280000000 ] mass: 180.947880 reduced_to: 41 - symbol: Ta # 44 coordinates: [ 0.750258675000000, 0.853492015000000, 0.145501280000000 ] mass: 180.947880 reduced_to: 41 - symbol: Ta # 45 coordinates: [ 0.498076545000000, 0.359018030000000, 0.143757620000000 ] mass: 180.947880 reduced_to: 45 - symbol: Ta # 46 coordinates: [ 0.998076545000000, 0.359018030000000, 0.143757620000000 ] mass: 180.947880 reduced_to: 45 - symbol: Ta # 47 coordinates: [ 0.498076545000000, 0.859018030000000, 0.143757620000000 ] mass: 180.947880 reduced_to: 45 - symbol: Ta # 48 coordinates: [ 0.998076545000000, 0.859018030000000, 0.143757620000000 ] mass: 180.947880 reduced_to: 45 - symbol: N # 49 coordinates: [ 0.276335830000000, 0.312907370000000, 0.705940110000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 50 coordinates: [ 0.776335830000000, 0.312907370000000, 0.705940110000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 51 coordinates: [ 0.276335830000000, 0.812907370000000, 0.705940110000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 52 coordinates: [ 0.776335830000000, 0.812907370000000, 0.705940110000000 ] mass: 14.006700 reduced_to: 49 - symbol: N # 53 coordinates: [ 0.375817440000000, 0.099640325000000, 0.645926940000000 ] mass: 14.006700 reduced_to: 53 - symbol: N # 54 coordinates: [ 0.875817440000000, 0.099640325000000, 0.645926940000000 ] mass: 14.006700 reduced_to: 53 - symbol: N # 55 coordinates: [ 0.375817440000000, 0.599640325000000, 0.645926940000000 ] mass: 14.006700 reduced_to: 53 - symbol: N # 56 coordinates: [ 0.875817440000000, 0.599640325000000, 0.645926940000000 ] mass: 14.006700 reduced_to: 53 - symbol: N # 57 coordinates: [ 0.276335830000000, 0.187092630000000, 0.205940110000000 ] mass: 14.006700 reduced_to: 57 - symbol: N # 58 coordinates: [ 0.776335830000000, 0.187092630000000, 0.205940110000000 ] mass: 14.006700 reduced_to: 57 - symbol: N # 59 coordinates: [ 0.276335830000000, 0.687092630000000, 0.205940110000000 ] mass: 14.006700 reduced_to: 57 - symbol: N # 60 coordinates: [ 0.776335830000000, 0.687092630000000, 0.205940110000000 ] mass: 14.006700 reduced_to: 57 - symbol: N # 61 coordinates: [ 0.375817440000000, 0.400359675000000, 0.145926940000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 62 coordinates: [ 0.875817440000000, 0.400359675000000, 0.145926940000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 63 coordinates: [ 0.375817440000000, 0.900359675000000, 0.145926940000000 ] mass: 14.006700 reduced_to: 61 - symbol: N # 64 coordinates: [ 0.875817440000000, 0.900359675000000, 0.145926940000000 ] mass: 14.006700 reduced_to: 61 - symbol: O # 65 coordinates: [ 0.482334795000000, 0.262547700000000, 0.975223560000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 66 coordinates: [ 0.982334795000000, 0.262547700000000, 0.975223560000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 67 coordinates: [ 0.482334795000000, 0.762547700000000, 0.975223560000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 68 coordinates: [ 0.982334795000000, 0.762547700000000, 0.975223560000000 ] mass: 15.999400 reduced_to: 65 - symbol: O # 69 coordinates: [ 0.267561670000000, 0.263020085000000, 0.972061590000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 70 coordinates: [ 0.767561670000000, 0.263020085000000, 0.972061590000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 71 coordinates: [ 0.267561670000000, 0.763020085000000, 0.972061590000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 72 coordinates: [ 0.767561670000000, 0.763020085000000, 0.972061590000000 ] mass: 15.999400 reduced_to: 69 - symbol: O # 73 coordinates: [ 0.376407430000000, 0.451748515000000, 0.877225970000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 74 coordinates: [ 0.876407430000000, 0.451748515000000, 0.877225970000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 75 coordinates: [ 0.376407430000000, 0.951748515000000, 0.877225970000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 76 coordinates: [ 0.876407430000000, 0.951748515000000, 0.877225970000000 ] mass: 15.999400 reduced_to: 73 - symbol: O # 77 coordinates: [ 0.123789485000000, 0.352819445000000, 0.856767320000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 78 coordinates: [ 0.623789485000000, 0.352819445000000, 0.856767320000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 79 coordinates: [ 0.123789485000000, 0.852819445000000, 0.856767320000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 80 coordinates: [ 0.623789485000000, 0.852819445000000, 0.856767320000000 ] mass: 15.999400 reduced_to: 77 - symbol: O # 81 coordinates: [ 0.218944845000000, 0.061683325000000, 0.792365690000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 82 coordinates: [ 0.718944845000000, 0.061683325000000, 0.792365690000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 83 coordinates: [ 0.218944845000000, 0.561683325000000, 0.792365690000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 84 coordinates: [ 0.718944845000000, 0.561683325000000, 0.792365690000000 ] mass: 15.999400 reduced_to: 81 - symbol: O # 85 coordinates: [ 0.030504660000000, 0.059792310000000, 0.791835430000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 86 coordinates: [ 0.530504660000000, 0.059792310000000, 0.791835430000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 87 coordinates: [ 0.030504660000000, 0.559792310000000, 0.791835430000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 88 coordinates: [ 0.530504660000000, 0.559792310000000, 0.791835430000000 ] mass: 15.999400 reduced_to: 85 - symbol: O # 89 coordinates: [ 0.474087770000000, 0.310771170000000, 0.711486000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 90 coordinates: [ 0.974087770000000, 0.310771170000000, 0.711486000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 91 coordinates: [ 0.474087770000000, 0.810771170000000, 0.711486000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 92 coordinates: [ 0.974087770000000, 0.810771170000000, 0.711486000000000 ] mass: 15.999400 reduced_to: 89 - symbol: O # 93 coordinates: [ 0.123971980000000, 0.199380680000000, 0.618572170000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 94 coordinates: [ 0.623971980000000, 0.199380680000000, 0.618572170000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 95 coordinates: [ 0.123971980000000, 0.699380680000000, 0.618572170000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 96 coordinates: [ 0.623971980000000, 0.699380680000000, 0.618572170000000 ] mass: 15.999400 reduced_to: 93 - symbol: O # 97 coordinates: [ 0.231182680000000, 0.008801285000000, 0.523739810000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 98 coordinates: [ 0.731182680000000, 0.008801285000000, 0.523739810000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 99 coordinates: [ 0.231182680000000, 0.508801285000000, 0.523739810000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 100 coordinates: [ 0.731182680000000, 0.508801285000000, 0.523739810000000 ] mass: 15.999400 reduced_to: 97 - symbol: O # 101 coordinates: [ 0.018858200000000, 0.008885385000000, 0.523364930000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 102 coordinates: [ 0.518858200000000, 0.008885385000000, 0.523364930000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 103 coordinates: [ 0.018858200000000, 0.508885385000000, 0.523364930000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 104 coordinates: [ 0.518858200000000, 0.508885385000000, 0.523364930000000 ] mass: 15.999400 reduced_to: 101 - symbol: O # 105 coordinates: [ 0.482334795000000, 0.237452300000000, 0.475223560000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 106 coordinates: [ 0.982334795000000, 0.237452300000000, 0.475223560000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 107 coordinates: [ 0.482334795000000, 0.737452300000000, 0.475223560000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 108 coordinates: [ 0.982334795000000, 0.737452300000000, 0.475223560000000 ] mass: 15.999400 reduced_to: 105 - symbol: O # 109 coordinates: [ 0.267561670000000, 0.236979915000000, 0.472061590000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 110 coordinates: [ 0.767561670000000, 0.236979915000000, 0.472061590000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 111 coordinates: [ 0.267561670000000, 0.736979915000000, 0.472061590000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 112 coordinates: [ 0.767561670000000, 0.736979915000000, 0.472061590000000 ] mass: 15.999400 reduced_to: 109 - symbol: O # 113 coordinates: [ 0.376407430000000, 0.048251485000000, 0.377225970000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 114 coordinates: [ 0.876407430000000, 0.048251485000000, 0.377225970000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 115 coordinates: [ 0.376407430000000, 0.548251485000000, 0.377225970000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 116 coordinates: [ 0.876407430000000, 0.548251485000000, 0.377225970000000 ] mass: 15.999400 reduced_to: 113 - symbol: O # 117 coordinates: [ 0.123789485000000, 0.147180555000000, 0.356767320000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 118 coordinates: [ 0.623789485000000, 0.147180555000000, 0.356767320000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 119 coordinates: [ 0.123789485000000, 0.647180555000000, 0.356767320000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 120 coordinates: [ 0.623789485000000, 0.647180555000000, 0.356767320000000 ] mass: 15.999400 reduced_to: 117 - symbol: O # 121 coordinates: [ 0.218944845000000, 0.438316675000000, 0.292365690000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 122 coordinates: [ 0.718944845000000, 0.438316675000000, 0.292365690000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 123 coordinates: [ 0.218944845000000, 0.938316675000000, 0.292365690000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 124 coordinates: [ 0.718944845000000, 0.938316675000000, 0.292365690000000 ] mass: 15.999400 reduced_to: 121 - symbol: O # 125 coordinates: [ 0.030504660000000, 0.440207690000000, 0.291835430000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 126 coordinates: [ 0.530504660000000, 0.440207690000000, 0.291835430000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 127 coordinates: [ 0.030504660000000, 0.940207690000000, 0.291835430000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 128 coordinates: [ 0.530504660000000, 0.940207690000000, 0.291835430000000 ] mass: 15.999400 reduced_to: 125 - symbol: O # 129 coordinates: [ 0.474087770000000, 0.189228830000000, 0.211486000000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 130 coordinates: [ 0.974087770000000, 0.189228830000000, 0.211486000000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 131 coordinates: [ 0.474087770000000, 0.689228830000000, 0.211486000000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 132 coordinates: [ 0.974087770000000, 0.689228830000000, 0.211486000000000 ] mass: 15.999400 reduced_to: 129 - symbol: O # 133 coordinates: [ 0.123971980000000, 0.300619320000000, 0.118572170000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 134 coordinates: [ 0.623971980000000, 0.300619320000000, 0.118572170000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 135 coordinates: [ 0.123971980000000, 0.800619320000000, 0.118572170000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 136 coordinates: [ 0.623971980000000, 0.800619320000000, 0.118572170000000 ] mass: 15.999400 reduced_to: 133 - symbol: O # 137 coordinates: [ 0.231182680000000, 0.491198715000000, 0.023739810000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 138 coordinates: [ 0.731182680000000, 0.491198715000000, 0.023739810000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 139 coordinates: [ 0.231182680000000, 0.991198715000000, 0.023739810000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 140 coordinates: [ 0.731182680000000, 0.991198715000000, 0.023739810000000 ] mass: 15.999400 reduced_to: 137 - symbol: O # 141 coordinates: [ 0.018858200000000, 0.491114615000000, 0.023364930000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 142 coordinates: [ 0.518858200000000, 0.491114615000000, 0.023364930000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 143 coordinates: [ 0.018858200000000, 0.991114615000000, 0.023364930000000 ] mass: 15.999400 reduced_to: 141 - symbol: O # 144 coordinates: [ 0.518858200000000, 0.991114615000000, 0.023364930000000 ] mass: 15.999400 reduced_to: 141displacements:- atom: 1 displacement: [ 0.0099999993466229, 0.0000000000000000, -0.0000036149054082 ] forces: - [ -0.1308648300000000, 0.0043198600000000, 0.0064095900000000 ] - [ 0.0060670300000000, 0.0061348600000000, 0.0049145200000000 ] - [ -0.0054808000000000, 0.0064302600000000, 0.0045529200000000 ] - [ 0.0050067200000000, 0.0060631500000000, 0.0049100900000000 ] - [ 0.0001206000000000, -0.0007952500000000, -0.0057218500000000 ] - [ -0.0001444300000000, -0.0031790900000000, -0.0041752300000000 ] - [ -0.0001617600000000, -0.0026389500000000, -0.0055469700000000 ] - [ -0.0001620500000000, -0.0012614200000000, -0.0042305000000000 ] - [ -0.0035539700000000, -0.0064838800000000, 0.0046999300000000 ] - [ 0.0046300300000000, -0.0061526900000000, 0.0048607400000000 ] - [ -0.0037832900000000, -0.0063500900000000, 0.0047963600000000 ] - [ 0.0046213300000000, -0.0061617000000000, 0.0048761300000000 ] - [ 0.0227477300000000, -0.0014245900000000, 0.0021755500000000 ] - [ 0.0174720900000000, 0.0040310200000000, -0.0100314100000000 ] - [ 0.0000664300000000, 0.0020969800000000, -0.0046758500000000 ] - [ 0.0005234700000000, 0.0018343900000000, -0.0054363700000000 ] - [ -0.0032629300000000, -0.0175145900000000, -0.0265301400000000 ] - [ -0.0148436300000000, -0.0447779900000000, -0.0092367200000000 ] - [ -0.0027442800000000, -0.0198461400000000, -0.0265226100000000 ] - [ -0.0080080900000000, 0.0066303700000000, -0.0137816200000000 ] - [ 0.0014034500000000, 0.0100362600000000, -0.0398446600000000 ] - [ 0.0153790700000000, -0.0152450200000000, -0.0225030500000000 ] - [ 0.0098059600000000, -0.0378647300000000, -0.0351050100000000 ] - [ 0.0159539900000000, -0.0132385100000000, -0.0224889700000000 ] - [ 0.0259735900000000, -0.0251614700000000, 0.0664595300000000 ] - [ 0.0196789800000000, -0.0297796000000000, 0.0827628400000000 ] - [ 0.0236230300000000, -0.0257783600000000, 0.0664372600000000 ] - [ 0.0171466100000000, -0.0254691900000000, 0.0700808800000000 ] - [ -0.0230486400000000, -0.0193951100000000, 0.0540814000000000 ] - [ -0.0163317900000000, -0.0238943900000000, 0.0688093000000000 ] - [ -0.0251343000000000, -0.0245663000000000, 0.0660402300000000 ] - [ -0.0190405900000000, -0.0230480300000000, 0.0689143400000000 ] - [ -0.0049190400000000, 0.0183473600000000, -0.0245693300000000 ] - [ -0.0144621300000000, 0.0179327300000000, -0.0311642200000000 ] - [ -0.0061099600000000, 0.0184037000000000, -0.0245611100000000 ] - [ -0.0130499300000000, 0.0167891700000000, -0.0279352400000000 ] - [ 0.0047321100000000, 0.0138850400000000, -0.0178733100000000 ] - [ 0.0132979700000000, 0.0149544900000000, -0.0247516700000000 ] - [ 0.0064205000000000, 0.0155379000000000, -0.0210926200000000 ] - [ 0.0122401800000000, 0.0148352400000000, -0.0248395700000000 ] - [ -0.0290338800000000, 0.0388804000000000, 0.0858557400000000 ] - [ -0.0159978200000000, 0.0231923000000000, 0.0676110400000000 ] - [ -0.0238576200000000, 0.0050294200000000, 0.0797715200000000 ] - [ -0.0147386900000000, 0.0253561900000000, 0.0677839000000000 ] - [ 0.0263966500000000, 0.0259012400000000, 0.0679453800000000 ] - [ 0.0171309600000000, 0.0117227900000000, 0.0496712200000000 ] - [ 0.0273068800000000, 0.0239695600000000, 0.0676066000000000 ] - [ 0.0186212700000000, 0.0427911100000000, 0.0539548800000000 ] - [ 0.0023687700000000, -0.0039623200000000, 0.0016157600000000 ] - [ 0.0015508300000000, -0.0028364100000000, -0.0022033000000000 ] - [ 0.0024360100000000, 0.0014471200000000, 0.0025270800000000 ] - [ 0.0016825000000000, -0.0037387400000000, -0.0026129000000000 ] - [ -0.0015246800000000, 0.0349397200000000, -0.0600324500000000 ] - [ -0.0015392500000000, 0.0351062100000000, -0.0619150100000000 ] - [ 0.0009636100000000, 0.0347243200000000, -0.0608084400000000 ] - [ 0.0016408800000000, 0.0353560700000000, -0.0611027500000000 ] - [ 0.0022106000000000, 0.0008686100000000, -0.0110851300000000 ] - [ 0.0006072600000000, 0.0033571800000000, -0.0001417300000000 ] - [ 0.0028424900000000, 0.0073988100000000, -0.0043225900000000 ] - [ 0.0013377600000000, 0.0018955000000000, -0.0008763500000000 ] - [ -0.0004533400000000, -0.0356458800000000, -0.0621924900000000 ] - [ -0.0005780400000000, -0.0341766500000000, -0.0596734700000000 ] - [ -0.0026072000000000, -0.0315931000000000, -0.0629115200000000 ] - [ -0.0030873100000000, -0.0376989200000000, -0.0591321400000000 ] - [ -0.0033638200000000, -0.0017943300000000, -0.0111572600000000 ] - [ 0.0098980400000000, 0.0075682500000000, -0.0130899200000000 ] - [ -0.0021525700000000, -0.0000892500000000, -0.0114588300000000 ] - [ -0.0000452100000000, -0.0052162300000000, -0.0109653500000000 ] - [ 0.0183770600000000, -0.0048523300000000, -0.0103361800000000 ] - [ -0.0023322200000000, -0.0009699000000000, -0.0119381200000000 ] - [ 0.0015163000000000, 0.0020999200000000, -0.0117252800000000 ] - [ -0.0012863700000000, -0.0023475100000000, -0.0116664800000000 ] - [ -0.0033009400000000, 0.0127188600000000, 0.0283765000000000 ] - [ -0.0036539500000000, 0.0151650000000000, 0.0269805500000000 ] - [ -0.0046417600000000, 0.0166779600000000, 0.0295684100000000 ] - [ -0.0050117900000000, 0.0113672400000000, 0.0260058800000000 ] - [ 0.0221957800000000, 0.0130564000000000, 0.0260420000000000 ] - [ -0.0055312700000000, 0.0114530700000000, 0.0268474900000000 ] - [ 0.0111839900000000, 0.0103089000000000, 0.0265948700000000 ] - [ -0.0059058700000000, 0.0115151900000000, 0.0268647000000000 ] - [ 0.0051142200000000, -0.0026831500000000, 0.0006684400000000 ] - [ -0.0029229000000000, -0.0014220000000000, -0.0002237600000000 ] - [ 0.0011646400000000, -0.0048009400000000, -0.0000444000000000 ] - [ -0.0025461100000000, -0.0009607800000000, -0.0006036000000000 ] - [ 0.0037316800000000, -0.0022366400000000, -0.0070473300000000 ] - [ -0.0006219700000000, -0.0017046400000000, -0.0015235200000000 ] - [ 0.0027003300000000, 0.0026627200000000, -0.0030354700000000 ] - [ -0.0002778700000000, -0.0021436700000000, -0.0011426700000000 ] - [ -0.0003562500000000, -0.0007750700000000, -0.0002699900000000 ] - [ 0.0005698600000000, 0.0002566200000000, -0.0035498300000000 ] - [ -0.0002234400000000, -0.0000828000000000, 0.0001462800000000 ] - [ 0.0004230200000000, -0.0044889600000000, -0.0041885300000000 ] - [ 0.0064747400000000, 0.0217616000000000, -0.0611703200000000 ] - [ -0.0055193400000000, 0.0215414000000000, -0.0609976600000000 ] - [ 0.0029519200000000, 0.0217749400000000, -0.0610293400000000 ] - [ -0.0044507700000000, 0.0215504500000000, -0.0609930000000000 ] - [ 0.0025470800000000, -0.0021052200000000, 0.0057656800000000 ] - [ -0.0001992400000000, -0.0042941800000000, 0.0045190700000000 ] - [ 0.0023945200000000, -0.0034999300000000, 0.0051928800000000 ] - [ 0.0001103500000000, -0.0040190400000000, 0.0046199500000000 ] - [ 0.0000956400000000, -0.0035263400000000, 0.0020970500000000 ] - [ -0.0025712700000000, -0.0015340900000000, 0.0039823900000000 ] - [ -0.0001748400000000, -0.0023422700000000, 0.0032559700000000 ] - [ -0.0023490200000000, -0.0018417700000000, 0.0038727400000000 ] - [ -0.0018992900000000, 0.0003730900000000, -0.0114363000000000 ] - [ 0.0004685100000000, 0.0015697200000000, -0.0126950600000000 ] - [ -0.0016404100000000, 0.0005578300000000, -0.0115433300000000 ] - [ 0.0002988000000000, 0.0005173000000000, -0.0117447300000000 ] - [ 0.0016961300000000, 0.0008223700000000, -0.0109148700000000 ] - [ -0.0008337400000000, 0.0022595900000000, -0.0116227900000000 ] - [ 0.0014075100000000, 0.0018525600000000, -0.0114711600000000 ] - [ -0.0006070600000000, 0.0020075900000000, -0.0114860500000000 ] - [ -0.0021511700000000, -0.0138213100000000, 0.0274472200000000 ] - [ -0.0012928300000000, -0.0136933900000000, 0.0278411400000000 ] - [ -0.0012272700000000, -0.0142932900000000, 0.0276126600000000 ] - [ -0.0004803000000000, -0.0133848400000000, 0.0277786200000000 ] - [ 0.0062166000000000, -0.0110438300000000, 0.0268430200000000 ] - [ -0.0049792400000000, -0.0114593000000000, 0.0268319000000000 ] - [ 0.0036825500000000, -0.0110765900000000, 0.0267457800000000 ] - [ -0.0042574100000000, -0.0114141700000000, 0.0268235600000000 ] - [ 0.0009347800000000, -0.0001571000000000, -0.0034469700000000 ] - [ -0.0026407300000000, 0.0018428800000000, 0.0004342200000000 ] - [ 0.0001994900000000, 0.0022998200000000, -0.0026561500000000 ] - [ -0.0027209300000000, 0.0015408300000000, 0.0002099600000000 ] - [ 0.0027318900000000, 0.0035856800000000, 0.0023808200000000 ] - [ -0.0003768700000000, 0.0011969900000000, -0.0022439500000000 ] - [ 0.0023190900000000, 0.0017040500000000, 0.0020162300000000 ] - [ -0.0004303000000000, 0.0014092300000000, -0.0021048700000000 ] - [ -0.0009565800000000, 0.0003583500000000, -0.0016739700000000 ] - [ 0.0004909300000000, 0.0012708800000000, 0.0069585900000000 ] - [ -0.0004218600000000, 0.0014933100000000, -0.0011553700000000 ] - [ 0.0011261400000000, -0.0030680400000000, 0.0020711400000000 ] - [ 0.0155392700000000, -0.0192464500000000, -0.0596093900000000 ] - [ -0.0057891900000000, -0.0215823800000000, -0.0610433800000000 ] - [ 0.0079072600000000, -0.0215974500000000, -0.0609068400000000 ] - [ -0.0065425300000000, -0.0215139500000000, -0.0609801200000000 ] - [ 0.0039724000000000, -0.0007998500000000, 0.0043138800000000 ] - [ -0.0004603800000000, 0.0043707500000000, 0.0044638000000000 ] - [ 0.0136205600000000, 0.0019520200000000, 0.0045150400000000 ] - [ -0.0016584400000000, 0.0034376300000000, 0.0043170100000000 ] - [ 0.0007884100000000, 0.0064797500000000, 0.0045848900000000 ] - [ -0.0026782500000000, 0.0014230100000000, 0.0039249200000000 ] - [ 0.0068555300000000, -0.0007055700000000, 0.0047152700000000 ] - [ -0.0037044800000000, 0.0022646300000000, 0.0041652200000000 ]- atom: 1 displacement: [ -0.0099999993466229, 0.0000000000000000, 0.0000036149054082 ] forces: - [ 0.1339884700000000, 0.0084177900000000, 0.0033115900000000 ] - [ -0.0026218100000000, 0.0063722900000000, 0.0047956000000000 ] - [ 0.0089266100000000, 0.0060438000000000, 0.0051513900000000 ] - [ -0.0015623900000000, 0.0064344600000000, 0.0048002400000000 ] - [ -0.0031707100000000, -0.0033786900000000, -0.0040805500000000 ] - [ -0.0029029800000000, -0.0009970200000000, -0.0056268200000000 ] - [ -0.0028911000000000, -0.0015408400000000, -0.0042511700000000 ] - [ -0.0028829700000000, -0.0029178500000000, -0.0055702800000000 ] - [ 0.0069973300000000, -0.0060217400000000, 0.0050026000000000 ] - [ -0.0011848500000000, -0.0063500600000000, 0.0048521600000000 ] - [ 0.0072295700000000, -0.0061537000000000, 0.0049165900000000 ] - [ -0.0011774300000000, -0.0063440000000000, 0.0048376400000000 ] - [ -0.0254598700000000, 0.0055294500000000, -0.0118567800000000 ] - [ -0.0207652600000000, 0.0001087000000000, 0.0003087600000000 ] - [ -0.0031229100000000, 0.0020763100000000, -0.0051252200000000 ] - [ -0.0035664600000000, 0.0023317700000000, -0.0043661000000000 ] - [ -0.0160367500000000, -0.0179928900000000, -0.0244596900000000 ] - [ -0.0042511500000000, 0.0094638000000000, -0.0418794900000000 ] - [ -0.0165441000000000, -0.0156811900000000, -0.0244704300000000 ] - [ -0.0112493200000000, -0.0422536700000000, -0.0372711000000000 ] - [ 0.0171163900000000, -0.0402027100000000, -0.0073653300000000 ] - [ 0.0033055400000000, -0.0150860900000000, -0.0246033400000000 ] - [ 0.0088297800000000, 0.0074632000000000, -0.0120445700000000 ] - [ 0.0027165900000000, -0.0171084600000000, -0.0246226200000000 ] - [ 0.0140578300000000, -0.0271787500000000, 0.0675068800000000 ] - [ 0.0203868500000000, -0.0225640400000000, 0.0511877500000000 ] - [ 0.0164070000000000, -0.0265667200000000, 0.0675307700000000 ] - [ 0.0228968500000000, -0.0268759400000000, 0.0638964300000000 ] - [ -0.0215958600000000, -0.0266400600000000, 0.0824949700000000 ] - [ -0.0282712800000000, -0.0221158800000000, 0.0677646400000000 ] - [ -0.0194781000000000, -0.0214459000000000, 0.0705412400000000 ] - [ -0.0255616000000000, -0.0229692000000000, 0.0676605600000000 ] - [ -0.0143767300000000, 0.0171736600000000, -0.0264088800000000 ] - [ -0.0048042600000000, 0.0175843600000000, -0.0198020200000000 ] - [ -0.0131893900000000, 0.0171109800000000, -0.0264200800000000 ] - [ -0.0062363800000000, 0.0187194600000000, -0.0230539200000000 ] - [ 0.0139221400000000, 0.0164475200000000, -0.0292125400000000 ] - [ 0.0053799300000000, 0.0153873300000000, -0.0223440900000000 ] - [ 0.0122509000000000, 0.0147933600000000, -0.0260183600000000 ] - [ 0.0064394100000000, 0.0155001200000000, -0.0222571700000000 ] - [ -0.0158352400000000, 0.0072225000000000, 0.0508455200000000 ] - [ -0.0285936000000000, 0.0228351700000000, 0.0689693000000000 ] - [ -0.0207631200000000, 0.0409606800000000, 0.0568119900000000 ] - [ -0.0298787400000000, 0.0206440400000000, 0.0687970800000000 ] - [ 0.0136307600000000, 0.0264497500000000, 0.0660316000000000 ] - [ 0.0231670100000000, 0.0406861200000000, 0.0844256900000000 ] - [ 0.0127358300000000, 0.0283628300000000, 0.0663664300000000 ] - [ 0.0214210000000000, 0.0094974300000000, 0.0800439200000000 ] - [ 0.0030169700000000, -0.0015770200000000, -0.0057355500000000 ] - [ 0.0038224500000000, -0.0027052300000000, -0.0019316900000000 ] - [ 0.0029416500000000, -0.0069914800000000, -0.0066619000000000 ] - [ 0.0036914200000000, -0.0017962800000000, -0.0015162900000000 ] - [ 0.0066028800000000, 0.0352817100000000, -0.0617422800000000 ] - [ 0.0065942600000000, 0.0351157400000000, -0.0598595000000000 ] - [ 0.0041105400000000, 0.0354936600000000, -0.0609700900000000 ] - [ 0.0034184800000000, 0.0348620500000000, -0.0606764300000000 ] - [ 0.0031848700000000, 0.0046361100000000, 0.0068718800000000 ] - [ 0.0047754200000000, 0.0021670800000000, -0.0040033000000000 ] - [ 0.0025387800000000, -0.0018614000000000, 0.0001856400000000 ] - [ 0.0040370700000000, 0.0036534100000000, -0.0032629300000000 ] - [ 0.0055592400000000, -0.0345758000000000, -0.0595956300000000 ] - [ 0.0055878300000000, -0.0360429300000000, -0.0621151100000000 ] - [ 0.0076725300000000, -0.0385971200000000, -0.0588782800000000 ] - [ 0.0081595300000000, -0.0324969200000000, -0.0626541100000000 ] - [ 0.0020337500000000, 0.0008285300000000, -0.0120926400000000 ] - [ -0.0120070800000000, -0.0081458200000000, -0.0101204400000000 ] - [ 0.0008360100000000, -0.0008577400000000, -0.0117921000000000 ] - [ -0.0012755800000000, 0.0042573900000000, -0.0122837200000000 ] - [ -0.0165608600000000, 0.0014298000000000, -0.0125725900000000 ] - [ 0.0031426000000000, -0.0030694000000000, -0.0109895500000000 ] - [ -0.0007124800000000, -0.0061432600000000, -0.0112038500000000 ] - [ 0.0020861700000000, -0.0016739200000000, -0.0112622200000000 ] - [ 0.0028217200000000, 0.0148797700000000, 0.0269114100000000 ] - [ 0.0031205300000000, 0.0124353700000000, 0.0283088000000000 ] - [ 0.0041411000000000, 0.0109393300000000, 0.0257334600000000 ] - [ 0.0045100500000000, 0.0162509300000000, 0.0292961100000000 ] - [ -0.0240881300000000, 0.0096885900000000, 0.0274292200000000 ] - [ 0.0036942200000000, 0.0110859200000000, 0.0266866100000000 ] - [ -0.0130315900000000, 0.0122214900000000, 0.0269344400000000 ] - [ 0.0040685500000000, 0.0110285200000000, 0.0266682400000000 ] - [ -0.0077491200000000, -0.0005696200000000, -0.0021319400000000 ] - [ 0.0000513500000000, -0.0016393200000000, -0.0008984300000000 ] - [ -0.0040174200000000, 0.0017359300000000, -0.0010886300000000 ] - [ -0.0003260000000000, -0.0020982500000000, -0.0005235800000000 ] - [ -0.0023587700000000, -0.0010510100000000, 0.0044295000000000 ] - [ 0.0022087700000000, -0.0014342500000000, -0.0008540700000000 ] - [ -0.0011331500000000, -0.0058015000000000, 0.0006456900000000 ] - [ 0.0018647900000000, -0.0009936000000000, -0.0012396600000000 ] - [ 0.0015864400000000, -0.0006978300000000, -0.0001538000000000 ] - [ 0.0006451900000000, -0.0017416900000000, 0.0031342200000000 ] - [ 0.0014535800000000, -0.0013856500000000, -0.0005657100000000 ] - [ 0.0008042700000000, 0.0030187200000000, 0.0037687600000000 ] - [ -0.0091817300000000, 0.0215687000000000, -0.0608119000000000 ] - [ 0.0028143700000000, 0.0217965500000000, -0.0609714000000000 ] - [ -0.0056582700000000, 0.0215647600000000, -0.0609402000000000 ] - [ 0.0017461800000000, 0.0217893800000000, -0.0609760900000000 ] - [ -0.0001010700000000, -0.0055444000000000, 0.0037088700000000 ] - [ 0.0026431100000000, -0.0033572400000000, 0.0049611400000000 ] - [ 0.0000523400000000, -0.0041526400000000, 0.0042901600000000 ] - [ 0.0023333300000000, -0.0036319100000000, 0.0048612100000000 ] - [ -0.0025762100000000, -0.0004841700000000, 0.0052356500000000 ] - [ 0.0000938100000000, -0.0024768800000000, 0.0033527400000000 ] - [ -0.0023059500000000, -0.0016679300000000, 0.0040811900000000 ] - [ -0.0001284200000000, -0.0021694600000000, 0.0034635100000000 ] - [ 0.0005818700000000, 0.0005762000000000, -0.0118167200000000 ] - [ -0.0017910100000000, -0.0006227400000000, -0.0105613000000000 ] - [ 0.0003234900000000, 0.0003930200000000, -0.0117076900000000 ] - [ -0.0016190600000000, 0.0004358800000000, -0.0115041700000000 ] - [ -0.0008909800000000, 0.0031974900000000, -0.0120209500000000 ] - [ 0.0016332200000000, 0.0017636600000000, -0.0113086500000000 ] - [ -0.0006049100000000, 0.0021743100000000, -0.0114554500000000 ] - [ 0.0014066700000000, 0.0020174900000000, -0.0114436200000000 ] - [ 0.0016529500000000, -0.0137775900000000, 0.0278391600000000 ] - [ 0.0007859500000000, -0.0139063800000000, 0.0274446900000000 ] - [ 0.0007328600000000, -0.0133051400000000, 0.0276753300000000 ] - [ -0.0000299800000000, -0.0142129300000000, 0.0275087700000000 ] - [ -0.0080534300000000, -0.0115066900000000, 0.0266944400000000 ] - [ 0.0031432900000000, -0.0110838500000000, 0.0266987800000000 ] - [ -0.0055208100000000, -0.0114636500000000, 0.0267867900000000 ] - [ 0.0024222900000000, -0.0111278000000000, 0.0267077500000000 ] - [ -0.0037831600000000, 0.0032203500000000, 0.0023218300000000 ] - [ -0.0002314100000000, 0.0012161600000000, -0.0015602400000000 ] - [ -0.0030677100000000, 0.0007642300000000, 0.0015388400000000 ] - [ -0.0001492500000000, 0.0015156500000000, -0.0013403400000000 ] - [ -0.0011684600000000, -0.0004397400000000, -0.0047609900000000 ] - [ 0.0019639700000000, 0.0019386400000000, -0.0001375700000000 ] - [ -0.0007364300000000, 0.0014338900000000, -0.0043991400000000 ] - [ 0.0020162300000000, 0.0017240400000000, -0.0002813900000000 ] - [ 0.0021820500000000, 0.0011042900000000, 0.0012426700000000 ] - [ 0.0007228900000000, 0.0001783700000000, -0.0074424500000000 ] - [ 0.0016516300000000, -0.0000153400000000, 0.0007274400000000 ] - [ 0.0000990400000000, 0.0045465100000000, -0.0025022100000000 ] - [ -0.0182631000000000, -0.0239258100000000, -0.0622395100000000 ] - [ 0.0030829300000000, -0.0217635300000000, -0.0609306700000000 ] - [ -0.0106175400000000, -0.0217223400000000, -0.0610657600000000 ] - [ 0.0038369500000000, -0.0218217300000000, -0.0609880800000000 ] - [ -0.0015007900000000, 0.0084372000000000, 0.0051566800000000 ] - [ 0.0028999700000000, 0.0032794400000000, 0.0050167600000000 ] - [ -0.0106300300000000, 0.0049915800000000, 0.0052025800000000 ] - [ 0.0041112800000000, 0.0042196500000000, 0.0051658800000000 ] - [ -0.0032980600000000, -0.0024832000000000, 0.0027419400000000 ] - [ 0.0002031400000000, 0.0025866200000000, 0.0034095500000000 ] - [ -0.0098024200000000, 0.0041830200000000, 0.0027911300000000 ] - [ 0.0012201100000000, 0.0017515100000000, 0.0031723200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004312400000000, -0.1221643100000000, -0.0028487800000000 ] - [ 0.0016052200000000, 0.0036705200000000, 0.0043262800000000 ] - [ 0.0019205700000000, 0.0200162000000000, 0.0056138300000000 ] - [ 0.0015375600000000, 0.0086012200000000, 0.0051562300000000 ] - [ -0.0005769100000000, -0.0010674500000000, -0.0060009400000000 ] - [ -0.0024387200000000, -0.0016503400000000, -0.0059417300000000 ] - [ -0.0027276600000000, -0.0028950100000000, -0.0036193100000000 ] - [ -0.0005720300000000, -0.0021704200000000, -0.0038828400000000 ] - [ 0.0019538300000000, -0.0065295800000000, 0.0059075200000000 ] - [ 0.0016250400000000, -0.0063718000000000, 0.0052521500000000 ] - [ 0.0018212100000000, -0.0056691900000000, 0.0046383200000000 ] - [ 0.0016311500000000, -0.0062113300000000, 0.0046842900000000 ] - [ -0.0064316700000000, -0.0117477000000000, -0.0056439300000000 ] - [ 0.0015956900000000, -0.0097041900000000, -0.0054397900000000 ] - [ -0.0018055700000000, 0.0078336000000000, -0.0041932400000000 ] - [ -0.0019073800000000, 0.0082862000000000, -0.0042243000000000 ] - [ -0.0061193600000000, -0.0179638700000000, -0.0269774700000000 ] - [ -0.0399519200000000, 0.0074960100000000, -0.0395466300000000 ] - [ -0.0132970900000000, -0.0169301700000000, -0.0246245200000000 ] - [ 0.0117292100000000, 0.0005139800000000, -0.0096459100000000 ] - [ 0.0353593200000000, 0.0090000400000000, -0.0400359600000000 ] - [ 0.0050156900000000, -0.0158558400000000, -0.0255014400000000 ] - [ -0.0103103400000000, 0.0041601000000000, -0.0057010100000000 ] - [ 0.0127272400000000, -0.0142282100000000, -0.0225575200000000 ] - [ 0.0193601800000000, -0.0277889500000000, 0.0671030900000000 ] - [ 0.0228814500000000, -0.0379991100000000, 0.0733724800000000 ] - [ 0.0192213000000000, -0.0248510700000000, 0.0667618900000000 ] - [ 0.0193419400000000, -0.0192653500000000, 0.0650681000000000 ] - [ -0.0254766900000000, -0.0373764600000000, 0.0750211600000000 ] - [ -0.0213002300000000, -0.0254115000000000, 0.0681567800000000 ] - [ -0.0211418300000000, -0.0146884300000000, 0.0672711000000000 ] - [ -0.0224732600000000, -0.0209791100000000, 0.0681213500000000 ] - [ -0.0094204500000000, 0.0160094800000000, -0.0251597700000000 ] - [ -0.0089122500000000, 0.0114757200000000, -0.0238033300000000 ] - [ -0.0099773400000000, 0.0198216500000000, -0.0253749000000000 ] - [ -0.0101000000000000, 0.0235609600000000, -0.0257650400000000 ] - [ 0.0081511000000000, 0.0094552800000000, -0.0210546000000000 ] - [ 0.0091961200000000, 0.0133515400000000, -0.0225655400000000 ] - [ 0.0105648500000000, 0.0207347400000000, -0.0251318300000000 ] - [ 0.0092443800000000, 0.0172932800000000, -0.0239509000000000 ] - [ 0.0053235100000000, 0.0362468200000000, 0.0884113600000000 ] - [ -0.0275900500000000, 0.0210408600000000, 0.0693008100000000 ] - [ -0.0321070200000000, 0.0429508600000000, 0.0510730800000000 ] - [ -0.0182047200000000, 0.0251789300000000, 0.0672781200000000 ] - [ 0.0240639600000000, 0.0251705300000000, 0.0677504500000000 ] - [ -0.0062891500000000, 0.0383277800000000, 0.0842382600000000 ] - [ 0.0162727200000000, 0.0278778900000000, 0.0660441600000000 ] - [ 0.0301293200000000, 0.0423669600000000, 0.0508615000000000 ] - [ 0.0002615200000000, 0.0035791100000000, 0.0067156500000000 ] - [ 0.0030390300000000, -0.0010805300000000, -0.0004353500000000 ] - [ 0.0046415100000000, -0.0090939800000000, -0.0096995500000000 ] - [ 0.0023668300000000, -0.0041293200000000, -0.0032532500000000 ] - [ 0.0036882000000000, 0.0364535600000000, -0.0614057700000000 ] - [ 0.0002968300000000, 0.0362993900000000, -0.0613799800000000 ] - [ 0.0033948500000000, 0.0339127600000000, -0.0608722200000000 ] - [ 0.0029045600000000, 0.0340238900000000, -0.0607316100000000 ] - [ 0.0002812700000000, 0.0103991000000000, -0.0069087700000000 ] - [ 0.0028798200000000, 0.0053140800000000, -0.0031413700000000 ] - [ 0.0041401100000000, -0.0049023300000000, 0.0012865600000000 ] - [ 0.0025897400000000, 0.0002583700000000, -0.0011486100000000 ] - [ -0.0049827700000000, -0.0373793800000000, -0.0613616700000000 ] - [ 0.0123349900000000, -0.0372734100000000, -0.0612483400000000 ] - [ 0.0089032100000000, -0.0360986300000000, -0.0591118900000000 ] - [ -0.0052083800000000, -0.0353590200000000, -0.0595204300000000 ] - [ -0.0009533900000000, 0.0006592100000000, -0.0116626000000000 ] - [ 0.0034479400000000, 0.0058971500000000, -0.0137049600000000 ] - [ -0.0004376300000000, -0.0015753100000000, -0.0115389900000000 ] - [ -0.0025509100000000, -0.0063348800000000, -0.0104371100000000 ] - [ -0.0008964800000000, 0.0067469100000000, -0.0127091400000000 ] - [ 0.0009620900000000, -0.0008527200000000, -0.0114506500000000 ] - [ 0.0020351300000000, -0.0076371800000000, -0.0106893200000000 ] - [ 0.0002717600000000, -0.0032400700000000, -0.0113268700000000 ] - [ -0.0060815900000000, 0.0114791900000000, 0.0273769800000000 ] - [ 0.0079000800000000, 0.0109919500000000, 0.0274209100000000 ] - [ 0.0056157300000000, 0.0135700300000000, 0.0267961600000000 ] - [ -0.0071135500000000, 0.0141001300000000, 0.0270914400000000 ] - [ 0.0011848600000000, 0.0132652100000000, 0.0266119700000000 ] - [ -0.0009091000000000, 0.0114688100000000, 0.0267601000000000 ] - [ -0.0015361500000000, 0.0021215800000000, 0.0236062000000000 ] - [ -0.0005570300000000, 0.0108749700000000, 0.0268633600000000 ] - [ 0.0021253200000000, 0.0052621400000000, -0.0086989800000000 ] - [ -0.0019012000000000, -0.0005920700000000, -0.0009157800000000 ] - [ -0.0022843600000000, -0.0087660300000000, 0.0030470000000000 ] - [ -0.0010485900000000, -0.0027574400000000, 0.0002789100000000 ] - [ -0.0029466600000000, 0.0049845200000000, -0.0096476600000000 ] - [ 0.0012825100000000, -0.0005992900000000, -0.0015886500000000 ] - [ 0.0015235600000000, -0.0096557800000000, 0.0030598400000000 ] - [ 0.0005744800000000, -0.0027878700000000, -0.0002465600000000 ] - [ 0.0003697800000000, 0.0003179800000000, 0.0008269500000000 ] - [ 0.0032242400000000, 0.0045443500000000, 0.0074078300000000 ] - [ 0.0009556600000000, -0.0016771600000000, -0.0010335100000000 ] - [ -0.0011419400000000, -0.0057880000000000, -0.0062337800000000 ] - [ -0.0011207500000000, 0.0247874100000000, -0.0610546500000000 ] - [ -0.0012281700000000, 0.0222133600000000, -0.0610192700000000 ] - [ -0.0020877700000000, 0.0198706500000000, -0.0610772500000000 ] - [ -0.0011825000000000, 0.0212810500000000, -0.0610195700000000 ] - [ 0.0015517200000000, -0.0021894000000000, 0.0039811500000000 ] - [ 0.0011614800000000, -0.0032981100000000, 0.0046955700000000 ] - [ 0.0009107700000000, -0.0058087700000000, 0.0045284400000000 ] - [ 0.0012747200000000, -0.0044071000000000, 0.0046258200000000 ] - [ -0.0014369200000000, -0.0009940400000000, 0.0027398500000000 ] - [ -0.0011732800000000, -0.0015609500000000, 0.0036532900000000 ] - [ -0.0011214500000000, -0.0032719500000000, 0.0036149400000000 ] - [ -0.0011588100000000, -0.0025613900000000, 0.0034553400000000 ] - [ -0.0006232400000000, 0.0009432200000000, -0.0118037100000000 ] - [ -0.0006430900000000, 0.0020400800000000, -0.0126814700000000 ] - [ -0.0005189300000000, -0.0000101500000000, -0.0117792800000000 ] - [ -0.0007750200000000, -0.0008644800000000, -0.0118966000000000 ] - [ 0.0003728000000000, 0.0032658800000000, -0.0125204400000000 ] - [ 0.0003340000000000, 0.0024017400000000, -0.0116945600000000 ] - [ 0.0004494200000000, 0.0010743700000000, -0.0117403800000000 ] - [ 0.0003982500000000, 0.0016037700000000, -0.0115157000000000 ] - [ -0.0008344400000000, -0.0127032800000000, 0.0272476500000000 ] - [ -0.0004443600000000, -0.0128383200000000, 0.0273826900000000 ] - [ 0.0000829200000000, -0.0148096300000000, 0.0276677000000000 ] - [ 0.0000851500000000, -0.0147597600000000, 0.0275535200000000 ] - [ -0.0003330300000000, -0.0096543100000000, 0.0264877900000000 ] - [ -0.0006922400000000, -0.0110011400000000, 0.0266441500000000 ] - [ -0.0016687700000000, -0.0124760800000000, 0.0267251200000000 ] - [ -0.0009170400000000, -0.0116021200000000, 0.0267253900000000 ] - [ -0.0024959000000000, -0.0035391600000000, -0.0054098200000000 ] - [ -0.0008934700000000, 0.0002726800000000, -0.0020527600000000 ] - [ -0.0008819900000000, 0.0042566500000000, 0.0034046700000000 ] - [ -0.0017700400000000, 0.0025809400000000, 0.0004976600000000 ] - [ 0.0014025400000000, -0.0031227800000000, -0.0063790200000000 ] - [ 0.0003771500000000, 0.0003399300000000, -0.0027345400000000 ] - [ 0.0004088000000000, 0.0041758200000000, 0.0031253700000000 ] - [ 0.0011562000000000, 0.0026372700000000, 0.0000391400000000 ] - [ 0.0004581000000000, 0.0023780100000000, -0.0008864800000000 ] - [ 0.0023769500000000, 0.0066578600000000, -0.0044725500000000 ] - [ 0.0008526300000000, -0.0009262500000000, 0.0005610200000000 ] - [ -0.0002351400000000, -0.0049555600000000, 0.0025117100000000 ] - [ -0.0019251500000000, -0.0087152700000000, -0.0520003300000000 ] - [ -0.0012530000000000, -0.0207417700000000, -0.0604288900000000 ] - [ -0.0015065500000000, -0.0269079000000000, -0.0594871200000000 ] - [ -0.0010808400000000, -0.0228916800000000, -0.0612275000000000 ] - [ -0.0012027500000000, -0.0022476500000000, 0.0043220400000000 ] - [ 0.0023116800000000, 0.0029111800000000, 0.0050596600000000 ] - [ -0.0002145400000000, 0.0113532700000000, 0.0044050500000000 ] - [ 0.0003506400000000, 0.0047185200000000, 0.0045593200000000 ] - [ 0.0010728300000000, -0.0039419900000000, 0.0022922800000000 ] - [ -0.0019635400000000, 0.0011312400000000, 0.0039976000000000 ] - [ 0.0009890300000000, 0.0071392100000000, 0.0037152400000000 ] - [ -0.0003506000000000, 0.0029011300000000, 0.0033951900000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0036918400000000, 0.1336703600000000, 0.0119792900000000 ] - [ 0.0018406000000000, 0.0088382300000000, 0.0053848200000000 ] - [ 0.0015313800000000, -0.0075312900000000, 0.0041084700000000 ] - [ 0.0019069300000000, 0.0039093200000000, 0.0045590200000000 ] - [ -0.0024764900000000, -0.0031110300000000, -0.0038060300000000 ] - [ -0.0006131100000000, -0.0025287300000000, -0.0038661800000000 ] - [ -0.0003230600000000, -0.0012621700000000, -0.0061867200000000 ] - [ -0.0024762200000000, -0.0019901400000000, -0.0059224100000000 ] - [ 0.0014925700000000, -0.0059949000000000, 0.0038089100000000 ] - [ 0.0018222300000000, -0.0061421800000000, 0.0044659400000000 ] - [ 0.0016251300000000, -0.0068248800000000, 0.0050795800000000 ] - [ 0.0018147600000000, -0.0062948800000000, 0.0050328800000000 ] - [ 0.0033363200000000, 0.0159567600000000, -0.0041797600000000 ] - [ -0.0046115000000000, 0.0139047500000000, -0.0043777800000000 ] - [ -0.0012383100000000, -0.0036608100000000, -0.0056138400000000 ] - [ -0.0011514600000000, -0.0041121000000000, -0.0055816900000000 ] - [ -0.0131783100000000, -0.0175619200000000, -0.0240080100000000 ] - [ 0.0203182900000000, -0.0428967300000000, -0.0115240700000000 ] - [ -0.0059952400000000, -0.0185836600000000, -0.0263628200000000 ] - [ -0.0312677500000000, -0.0360564300000000, -0.0415122800000000 ] - [ -0.0163774900000000, -0.0392258100000000, -0.0071573200000000 ] - [ 0.0136591200000000, -0.0144947000000000, -0.0216042400000000 ] - [ 0.0291983500000000, -0.0345456100000000, -0.0415955300000000 ] - [ 0.0059469200000000, -0.0161093400000000, -0.0245447500000000 ] - [ 0.0206530800000000, -0.0245552000000000, 0.0668638200000000 ] - [ 0.0172093100000000, -0.0143884100000000, 0.0606917200000000 ] - [ 0.0208149400000000, -0.0274895300000000, 0.0672068900000000 ] - [ 0.0206807600000000, -0.0330810800000000, 0.0688892100000000 ] - [ -0.0191864700000000, -0.0086951700000000, 0.0616510900000000 ] - [ -0.0232831300000000, -0.0206043900000000, 0.0684126500000000 ] - [ -0.0234526000000000, -0.0313353100000000, 0.0692887400000000 ] - [ -0.0221313700000000, -0.0250301600000000, 0.0684497900000000 ] - [ -0.0098784700000000, 0.0195122400000000, -0.0258166500000000 ] - [ -0.0103726500000000, 0.0240605200000000, -0.0271789900000000 ] - [ -0.0093160900000000, 0.0156985800000000, -0.0256076800000000 ] - [ -0.0091931200000000, 0.0119508600000000, -0.0252138700000000 ] - [ 0.0105212000000000, 0.0209050500000000, -0.0260470000000000 ] - [ 0.0094858000000000, 0.0169934100000000, -0.0245251100000000 ] - [ 0.0081105800000000, 0.0095953800000000, -0.0219594600000000 ] - [ 0.0094335300000000, 0.0130491700000000, -0.0231437400000000 ] - [ -0.0497432000000000, 0.0097790100000000, 0.0482700600000000 ] - [ -0.0170192500000000, 0.0249626200000000, 0.0672678200000000 ] - [ -0.0124171300000000, 0.0030035200000000, 0.0855661900000000 ] - [ -0.0264045000000000, 0.0208295900000000, 0.0692943200000000 ] - [ 0.0159710300000000, 0.0271662400000000, 0.0662151600000000 ] - [ 0.0461661900000000, 0.0140087100000000, 0.0497998000000000 ] - [ 0.0237621100000000, 0.0244629600000000, 0.0679241500000000 ] - [ 0.0098263000000000, 0.0099365700000000, 0.0831652800000000 ] - [ 0.0051028500000000, -0.0090817900000000, -0.0108220200000000 ] - [ 0.0023361400000000, -0.0044494100000000, -0.0036928100000000 ] - [ 0.0007213900000000, 0.0035585400000000, 0.0055884300000000 ] - [ 0.0030096400000000, -0.0014110900000000, -0.0008802600000000 ] - [ 0.0014091900000000, 0.0337645200000000, -0.0603790400000000 ] - [ 0.0047365100000000, 0.0339183000000000, -0.0604034400000000 ] - [ 0.0016661600000000, 0.0363069100000000, -0.0609042000000000 ] - [ 0.0021682000000000, 0.0361937800000000, -0.0610453900000000 ] - [ 0.0051009900000000, -0.0048363700000000, 0.0027836300000000 ] - [ 0.0024978000000000, 0.0002285700000000, -0.0009980600000000 ] - [ 0.0012334700000000, 0.0104547400000000, -0.0054334500000000 ] - [ 0.0027886300000000, 0.0052817600000000, -0.0029894300000000 ] - [ 0.0100381800000000, -0.0328348000000000, -0.0604163600000000 ] - [ -0.0072508900000000, -0.0329372300000000, -0.0605265900000000 ] - [ -0.0038423900000000, -0.0341203200000000, -0.0626627700000000 ] - [ 0.0102862800000000, -0.0348598000000000, -0.0622531400000000 ] - [ -0.0003657300000000, -0.0016141100000000, -0.0115873300000000 ] - [ -0.0049878500000000, -0.0065355900000000, -0.0095640700000000 ] - [ -0.0008817600000000, 0.0006193100000000, -0.0117113600000000 ] - [ 0.0012469600000000, 0.0053757400000000, -0.0128126400000000 ] - [ 0.0020258200000000, -0.0104197500000000, -0.0102357000000000 ] - [ -0.0001597400000000, -0.0031760200000000, -0.0114802600000000 ] - [ -0.0012510800000000, 0.0036075300000000, -0.0122360100000000 ] - [ 0.0005311400000000, -0.0007907900000000, -0.0116037400000000 ] - [ 0.0055718200000000, 0.0161277300000000, 0.0279088300000000 ] - [ -0.0083851100000000, 0.0166114300000000, 0.0278652700000000 ] - [ -0.0061272600000000, 0.0140246900000000, 0.0284979100000000 ] - [ 0.0066240400000000, 0.0134913400000000, 0.0282009300000000 ] - [ -0.0030228900000000, 0.0101003000000000, 0.0265318400000000 ] - [ -0.0009255300000000, 0.0110720000000000, 0.0267710600000000 ] - [ -0.0002767500000000, 0.0205259600000000, 0.0299964500000000 ] - [ -0.0012785900000000, 0.0116649800000000, 0.0266673900000000 ] - [ -0.0048537600000000, -0.0084885800000000, 0.0074086100000000 ] - [ -0.0009728500000000, -0.0024710300000000, -0.0002043300000000 ] - [ -0.0005969800000000, 0.0057209500000000, -0.0041704900000000 ] - [ -0.0018225800000000, -0.0003000100000000, -0.0014057600000000 ] - [ 0.0044080600000000, -0.0082845900000000, 0.0071290900000000 ] - [ 0.0003081000000000, -0.0025399900000000, -0.0007863300000000 ] - [ 0.0000711700000000, 0.0065358900000000, -0.0054391300000000 ] - [ 0.0010128700000000, -0.0003443500000000, -0.0021372200000000 ] - [ 0.0008581500000000, -0.0017838900000000, -0.0012521500000000 ] - [ -0.0019798400000000, -0.0059842300000000, -0.0078067800000000 ] - [ 0.0002706400000000, 0.0002052300000000, 0.0006063500000000 ] - [ 0.0023817700000000, 0.0043145500000000, 0.0058232300000000 ] - [ -0.0015858600000000, 0.0185697300000000, -0.0609316300000000 ] - [ -0.0014767100000000, 0.0211298300000000, -0.0609512200000000 ] - [ -0.0006165500000000, 0.0234736500000000, -0.0608849700000000 ] - [ -0.0015239000000000, 0.0220588300000000, -0.0609490900000000 ] - [ 0.0008951300000000, -0.0054754200000000, 0.0054882100000000 ] - [ 0.0012816000000000, -0.0043561000000000, 0.0047830700000000 ] - [ 0.0015355900000000, -0.0018375500000000, 0.0049547500000000 ] - [ 0.0011715700000000, -0.0032429600000000, 0.0048551100000000 ] - [ -0.0010433400000000, -0.0030298400000000, 0.0045835100000000 ] - [ -0.0013045500000000, -0.0024548000000000, 0.0036814800000000 ] - [ -0.0013591500000000, -0.0007374000000000, 0.0037258900000000 ] - [ -0.0013215100000000, -0.0014498700000000, 0.0038833400000000 ] - [ -0.0006939900000000, 0.0000111400000000, -0.0114525500000000 ] - [ -0.0006795400000000, -0.0010815300000000, -0.0105797400000000 ] - [ -0.0008000900000000, 0.0009629000000000, -0.0114729900000000 ] - [ -0.0005440400000000, 0.0018163400000000, -0.0113542700000000 ] - [ 0.0004321000000000, 0.0007658600000000, -0.0104194700000000 ] - [ 0.0004655200000000, 0.0016271200000000, -0.0112410400000000 ] - [ 0.0003523600000000, 0.0029521100000000, -0.0111904000000000 ] - [ 0.0004028100000000, 0.0024219300000000, -0.0114171300000000 ] - [ 0.0003355800000000, -0.0149026600000000, 0.0280399500000000 ] - [ -0.0000657300000000, -0.0147670000000000, 0.0279045500000000 ] - [ -0.0005879500000000, -0.0127911400000000, 0.0276198200000000 ] - [ -0.0005894800000000, -0.0128414300000000, 0.0277344500000000 ] - [ -0.0015041500000000, -0.0128869000000000, 0.0270443400000000 ] - [ -0.0011427700000000, -0.0115405900000000, 0.0268850700000000 ] - [ -0.0001664900000000, -0.0100623800000000, 0.0268039800000000 ] - [ -0.0009179200000000, -0.0109394100000000, 0.0268046300000000 ] - [ -0.0003783000000000, 0.0066136000000000, 0.0042961500000000 ] - [ -0.0019777300000000, 0.0027877400000000, 0.0009271400000000 ] - [ -0.0019941000000000, -0.0012098700000000, -0.0045443700000000 ] - [ -0.0011014000000000, 0.0004748300000000, -0.0016272200000000 ] - [ 0.0001844100000000, 0.0062706400000000, 0.0040074700000000 ] - [ 0.0012097500000000, 0.0027954300000000, 0.0003534400000000 ] - [ 0.0011815400000000, -0.0010504800000000, -0.0055210600000000 ] - [ 0.0004311800000000, 0.0004944500000000, -0.0024238300000000 ] - [ 0.0007690200000000, -0.0009053900000000, 0.0004549200000000 ] - [ -0.0011485000000000, -0.0051670200000000, 0.0040489600000000 ] - [ 0.0003734000000000, 0.0023968500000000, -0.0009908200000000 ] - [ 0.0014634800000000, 0.0064311000000000, -0.0029495900000000 ] - [ -0.0007970400000000, -0.0339400300000000, -0.0691544800000000 ] - [ -0.0014528000000000, -0.0225986600000000, -0.0615387700000000 ] - [ -0.0011984900000000, -0.0164143200000000, -0.0625056600000000 ] - [ -0.0016239700000000, -0.0204486400000000, -0.0607409600000000 ] - [ 0.0036136400000000, 0.0099163800000000, 0.0051534100000000 ] - [ 0.0001348800000000, 0.0047430500000000, 0.0044224500000000 ] - [ 0.0033494900000000, -0.0043560400000000, 0.0053441200000000 ] - [ 0.0020954900000000, 0.0029323100000000, 0.0049229500000000 ] - [ -0.0035199800000000, 0.0079702000000000, 0.0050354300000000 ] - [ -0.0005165000000000, 0.0028836100000000, 0.0033414000000000 ] - [ -0.0040537000000000, -0.0036525000000000, 0.0038199600000000 ] - [ -0.0021290900000000, 0.0011120600000000, 0.0039428700000000 ]- atom: 1 displacement: [ 0.0000055737063633, 0.0000000000000000, 0.0099999984466897 ] forces: - [ 0.0031667000000000, -0.0014456900000000, -0.0685343200000000 ] - [ 0.0017846200000000, 0.0057228400000000, 0.0035408100000000 ] - [ 0.0014179500000000, 0.0070064400000000, 0.0014880800000000 ] - [ 0.0017797500000000, 0.0065523600000000, 0.0041286500000000 ] - [ -0.0021559600000000, -0.0029273300000000, -0.0027308800000000 ] - [ -0.0009734800000000, -0.0028731700000000, -0.0031200400000000 ] - [ -0.0020897300000000, -0.0013142600000000, -0.0027761900000000 ] - [ -0.0009909000000000, -0.0010531400000000, -0.0030051900000000 ] - [ 0.0015705600000000, -0.0072756900000000, 0.0108817900000000 ] - [ 0.0017294600000000, -0.0066415500000000, 0.0059729500000000 ] - [ 0.0016603400000000, -0.0060436900000000, 0.0080726400000000 ] - [ 0.0017445600000000, -0.0060800100000000, 0.0056138000000000 ] - [ 0.0040887600000000, 0.0018872400000000, -0.0089028400000000 ] - [ -0.0054162100000000, 0.0018520800000000, -0.0081496500000000 ] - [ -0.0014559900000000, 0.0031936700000000, -0.0064027000000000 ] - [ -0.0014593200000000, 0.0032325400000000, -0.0063834800000000 ] - [ -0.0107495500000000, -0.0176393400000000, -0.0278416000000000 ] - [ 0.0063793500000000, -0.0282188200000000, -0.0332220500000000 ] - [ -0.0110209000000000, -0.0165637000000000, -0.0273167800000000 ] - [ 0.0005671000000000, -0.0035636600000000, -0.0393475200000000 ] - [ -0.0041034600000000, -0.0252959200000000, -0.0306561200000000 ] - [ 0.0105631000000000, -0.0150889000000000, -0.0256814300000000 ] - [ -0.0006260700000000, 0.0003634300000000, -0.0362283300000000 ] - [ 0.0107314200000000, -0.0140123200000000, -0.0249170400000000 ] - [ 0.0162717300000000, -0.0269238300000000, 0.0676355100000000 ] - [ 0.0321385100000000, -0.0289000700000000, 0.0864785300000000 ] - [ 0.0191303700000000, -0.0261851700000000, 0.0674014200000000 ] - [ 0.0206575600000000, -0.0254915600000000, 0.0696079800000000 ] - [ -0.0349470600000000, -0.0278422000000000, 0.0893409200000000 ] - [ -0.0186606700000000, -0.0239980000000000, 0.0687746700000000 ] - [ -0.0227791600000000, -0.0218912700000000, 0.0709812500000000 ] - [ -0.0216514800000000, -0.0228806700000000, 0.0687767900000000 ] - [ -0.0079800300000000, 0.0180943300000000, -0.0229415300000000 ] - [ -0.0131506600000000, 0.0151745500000000, -0.0132987800000000 ] - [ -0.0092838900000000, 0.0184517000000000, -0.0238512800000000 ] - [ -0.0103833200000000, 0.0195048000000000, -0.0223459600000000 ] - [ 0.0112227400000000, 0.0120694100000000, -0.0108840600000000 ] - [ 0.0083832200000000, 0.0152936600000000, -0.0211861700000000 ] - [ 0.0100219000000000, 0.0169567900000000, -0.0201858200000000 ] - [ 0.0090492100000000, 0.0157675200000000, -0.0221298900000000 ] - [ 0.0052328200000000, 0.0404230000000000, 0.0701439600000000 ] - [ -0.0254046900000000, 0.0223545200000000, 0.0675680100000000 ] - [ -0.0181095200000000, 0.0146979600000000, 0.0699254300000000 ] - [ -0.0235285800000000, 0.0225255400000000, 0.0677692300000000 ] - [ 0.0233855000000000, 0.0258667100000000, 0.0662017600000000 ] - [ -0.0070307700000000, 0.0423990400000000, 0.0668048600000000 ] - [ 0.0215187200000000, 0.0256769800000000, 0.0664267100000000 ] - [ 0.0153596100000000, 0.0191478000000000, 0.0682761900000000 ] - [ 0.0054188900000000, 0.0011587800000000, -0.0022996500000000 ] - [ 0.0021899300000000, -0.0017929700000000, -0.0013017600000000 ] - [ 0.0032939600000000, -0.0046866700000000, -0.0030630200000000 ] - [ 0.0024490600000000, -0.0030511400000000, -0.0020574500000000 ] - [ 0.0084474400000000, 0.0346402000000000, -0.0625316800000000 ] - [ -0.0035921400000000, 0.0345284200000000, -0.0624685600000000 ] - [ 0.0036231400000000, 0.0351445200000000, -0.0612231400000000 ] - [ 0.0017753600000000, 0.0350463800000000, -0.0612634400000000 ] - [ -0.0027310900000000, 0.0037396100000000, -0.0102498100000000 ] - [ 0.0033395600000000, 0.0037462000000000, -0.0029764000000000 ] - [ 0.0024335900000000, 0.0040080500000000, -0.0026871200000000 ] - [ 0.0029149100000000, 0.0030131200000000, -0.0023999200000000 ] - [ -0.0040477800000000, -0.0368982800000000, -0.0596587000000000 ] - [ 0.0096921600000000, -0.0369054400000000, -0.0594489800000000 ] - [ 0.0003823500000000, -0.0342699200000000, -0.0609178100000000 ] - [ 0.0046197500000000, -0.0346467200000000, -0.0607627000000000 ] - [ -0.0010414800000000, -0.0009380500000000, -0.0103039000000000 ] - [ -0.0015499800000000, -0.0018534300000000, 0.0002507900000000 ] - [ -0.0007354400000000, -0.0010001700000000, -0.0105756200000000 ] - [ -0.0010252500000000, -0.0016152700000000, -0.0072849100000000 ] - [ 0.0013212700000000, -0.0028037400000000, -0.0000286100000000 ] - [ 0.0006732300000000, -0.0024242300000000, -0.0101898800000000 ] - [ 0.0006777600000000, -0.0029276500000000, -0.0070996700000000 ] - [ 0.0004449000000000, -0.0025403700000000, -0.0104794100000000 ] - [ 0.0019679200000000, 0.0146408700000000, 0.0291086500000000 ] - [ -0.0026821300000000, 0.0148078100000000, 0.0290989800000000 ] - [ 0.0021992400000000, 0.0137012100000000, 0.0298319900000000 ] - [ -0.0028140900000000, 0.0136769800000000, 0.0296273500000000 ] - [ -0.0025400000000000, 0.0109756800000000, 0.0336864300000000 ] - [ -0.0010571200000000, 0.0112156400000000, 0.0272988800000000 ] - [ -0.0013364600000000, 0.0066735200000000, 0.0290091100000000 ] - [ -0.0008903900000000, 0.0109483700000000, 0.0272171800000000 ] - [ -0.0001524600000000, -0.0019354000000000, 0.0042422000000000 ] - [ -0.0020366900000000, -0.0019075300000000, 0.0004097700000000 ] - [ -0.0007640600000000, -0.0003269900000000, -0.0008063100000000 ] - [ -0.0015964300000000, -0.0014961900000000, -0.0003222600000000 ] - [ -0.0019294700000000, -0.0037358600000000, 0.0011640400000000 ] - [ 0.0013996900000000, -0.0020858700000000, -0.0000525100000000 ] - [ -0.0000091100000000, -0.0002890900000000, -0.0016767500000000 ] - [ 0.0009275000000000, -0.0016975300000000, -0.0008403400000000 ] - [ 0.0010635800000000, -0.0000147000000000, 0.0005591400000000 ] - [ -0.0014445400000000, 0.0015541900000000, -0.0006261400000000 ] - [ 0.0008218000000000, -0.0008950900000000, -0.0000966700000000 ] - [ 0.0001768300000000, -0.0020896500000000, -0.0006007900000000 ] - [ -0.0015084200000000, 0.0237332900000000, -0.0676763100000000 ] - [ -0.0012374400000000, 0.0222577700000000, -0.0616014100000000 ] - [ -0.0015269200000000, 0.0216524600000000, -0.0617870600000000 ] - [ -0.0013202800000000, 0.0217929400000000, -0.0612263400000000 ] - [ 0.0013943200000000, -0.0049572000000000, -0.0001790100000000 ] - [ 0.0008403500000000, -0.0041434200000000, 0.0035756600000000 ] - [ 0.0011160300000000, -0.0039208600000000, 0.0029772900000000 ] - [ 0.0010662000000000, -0.0038404300000000, 0.0041281000000000 ] - [ -0.0012724700000000, -0.0030621800000000, -0.0013350000000000 ] - [ -0.0009260200000000, -0.0023558900000000, 0.0022757200000000 ] - [ -0.0012102700000000, -0.0020454500000000, 0.0021455900000000 ] - [ -0.0010451800000000, -0.0019825100000000, 0.0029846200000000 ] - [ -0.0003888300000000, 0.0001614900000000, -0.0131567300000000 ] - [ -0.0007702000000000, -0.0000804000000000, -0.0165837300000000 ] - [ -0.0005128700000000, 0.0000717800000000, -0.0123696600000000 ] - [ -0.0005093100000000, -0.0000943700000000, -0.0131702300000000 ] - [ 0.0006622000000000, 0.0010340600000000, -0.0169736200000000 ] - [ 0.0001143100000000, 0.0017640700000000, -0.0128719700000000 ] - [ 0.0002858000000000, 0.0013943400000000, -0.0131692200000000 ] - [ 0.0002397000000000, 0.0015958900000000, -0.0121869900000000 ] - [ -0.0026925100000000, -0.0128021800000000, 0.0260369900000000 ] - [ 0.0013203100000000, -0.0130422700000000, 0.0262311800000000 ] - [ -0.0009307900000000, -0.0136799100000000, 0.0267944000000000 ] - [ 0.0002556300000000, -0.0137880800000000, 0.0269266700000000 ] - [ 0.0000717100000000, -0.0114850700000000, 0.0232513100000000 ] - [ -0.0009877800000000, -0.0114764000000000, 0.0262005400000000 ] - [ -0.0007716600000000, -0.0117386500000000, 0.0261007500000000 ] - [ -0.0009370400000000, -0.0114947900000000, 0.0264388600000000 ] - [ -0.0024825100000000, -0.0012100700000000, -0.0036658000000000 ] - [ -0.0011377500000000, 0.0011123900000000, -0.0013714200000000 ] - [ -0.0021136300000000, 0.0032959300000000, -0.0014505400000000 ] - [ -0.0012522900000000, 0.0015559700000000, -0.0008803700000000 ] - [ 0.0019003100000000, -0.0010374500000000, -0.0038470700000000 ] - [ 0.0004802000000000, 0.0010180200000000, -0.0021434200000000 ] - [ 0.0016629700000000, 0.0026853900000000, -0.0025240200000000 ] - [ 0.0005557100000000, 0.0014761500000000, -0.0016032000000000 ] - [ -0.0000835400000000, 0.0013538500000000, -0.0010510400000000 ] - [ 0.0043753900000000, 0.0015823000000000, -0.0062590300000000 ] - [ 0.0003832200000000, 0.0009262600000000, -0.0005709300000000 ] - [ 0.0007733600000000, 0.0013604000000000, -0.0005755400000000 ] - [ -0.0018683700000000, -0.0145427000000000, -0.0463108100000000 ] - [ -0.0015718000000000, -0.0211268000000000, -0.0601987400000000 ] - [ -0.0011005200000000, -0.0194721100000000, -0.0601363200000000 ] - [ -0.0014806200000000, -0.0213230500000000, -0.0606836600000000 ] - [ 0.0006300600000000, 0.0014108300000000, 0.0098281300000000 ] - [ 0.0015793600000000, 0.0034028100000000, 0.0059990900000000 ] - [ 0.0053654500000000, -0.0008840400000000, 0.0138429200000000 ] - [ 0.0014723200000000, 0.0038846200000000, 0.0055540100000000 ] - [ -0.0006939500000000, 0.0000881300000000, 0.0089726100000000 ] - [ -0.0016218500000000, 0.0015389400000000, 0.0050922700000000 ] - [ -0.0049434100000000, -0.0010982900000000, 0.0126072000000000 ] - [ -0.0015285600000000, 0.0020779200000000, 0.0046123200000000 ]- atom: 1 displacement: [ -0.0000055737063633, 0.0000000000000000, -0.0099999984466897 ] forces: - [ 0.0002431600000000, 0.0133934700000000, 0.0786120600000000 ] - [ 0.0016628100000000, 0.0067806000000000, 0.0061779600000000 ] - [ 0.0020260600000000, 0.0054999900000000, 0.0082277100000000 ] - [ 0.0016670600000000, 0.0059568100000000, 0.0055888100000000 ] - [ -0.0008842200000000, -0.0012325400000000, -0.0070738300000000 ] - [ -0.0020841000000000, -0.0012908300000000, -0.0066822600000000 ] - [ -0.0009550700000000, -0.0028817500000000, -0.0070235500000000 ] - [ -0.0020634900000000, -0.0031416500000000, -0.0067962700000000 ] - [ 0.0018767400000000, -0.0051766200000000, -0.0011818300000000 ] - [ 0.0017187000000000, -0.0058568700000000, 0.0037395200000000 ] - [ 0.0017852000000000, -0.0064857400000000, 0.0016393500000000 ] - [ 0.0017031500000000, -0.0064307200000000, 0.0040999800000000 ] - [ -0.0072157900000000, 0.0022863200000000, -0.0009475400000000 ] - [ 0.0024233000000000, 0.0023242100000000, -0.0016860500000000 ] - [ -0.0015991700000000, 0.0009890000000000, -0.0034014300000000 ] - [ -0.0015832200000000, 0.0009475000000000, -0.0034236200000000 ] - [ -0.0085566300000000, -0.0178806000000000, -0.0231310000000000 ] - [ -0.0256774800000000, -0.0073527300000000, -0.0176270900000000 ] - [ -0.0082754400000000, -0.0189636800000000, -0.0236548500000000 ] - [ -0.0198642700000000, -0.0319909300000000, -0.0114729600000000 ] - [ 0.0227914800000000, -0.0050895200000000, -0.0162843000000000 ] - [ 0.0081294700000000, -0.0152518600000000, -0.0214112700000000 ] - [ 0.0193160900000000, -0.0307667700000000, -0.0107105900000000 ] - [ 0.0079523700000000, -0.0163368300000000, -0.0221786600000000 ] - [ 0.0237836200000000, -0.0254096800000000, 0.0663427200000000 ] - [ 0.0077345400000000, -0.0234443800000000, 0.0474054400000000 ] - [ 0.0208990400000000, -0.0261541000000000, 0.0665717700000000 ] - [ 0.0193726500000000, -0.0268464100000000, 0.0643822200000000 ] - [ -0.0094877200000000, -0.0181445200000000, 0.0471096300000000 ] - [ -0.0259618300000000, -0.0219975200000000, 0.0678095800000000 ] - [ -0.0218262500000000, -0.0241096200000000, 0.0656094000000000 ] - [ -0.0229461400000000, -0.0231248100000000, 0.0678020200000000 ] - [ -0.0112949400000000, 0.0174235000000000, -0.0280582400000000 ] - [ -0.0061929900000000, 0.0203010400000000, -0.0376512200000000 ] - [ -0.0100111800000000, 0.0170729400000000, -0.0271431300000000 ] - [ -0.0089143800000000, 0.0160235000000000, -0.0286544700000000 ] - [ 0.0074851800000000, 0.0182246600000000, -0.0361808100000000 ] - [ 0.0102839400000000, 0.0150501100000000, -0.0259325900000000 ] - [ 0.0086603100000000, 0.0134013300000000, -0.0269402500000000 ] - [ 0.0096314600000000, 0.0145806400000000, -0.0249851200000000 ] - [ -0.0496910900000000, 0.0057020000000000, 0.0663438100000000 ] - [ -0.0191948100000000, 0.0236547100000000, 0.0690000900000000 ] - [ -0.0265038700000000, 0.0313875500000000, 0.0665367000000000 ] - [ -0.0210547200000000, 0.0234858700000000, 0.0688018200000000 ] - [ 0.0166467800000000, 0.0264749000000000, 0.0677582100000000 ] - [ 0.0469283500000000, 0.0100295900000000, 0.0670696100000000 ] - [ 0.0184905900000000, 0.0266688400000000, 0.0675373000000000 ] - [ 0.0246797300000000, 0.0332464800000000, 0.0655860900000000 ] - [ -0.0000694300000000, -0.0067649900000000, -0.0018665700000000 ] - [ 0.0031871000000000, -0.0037568900000000, -0.0028420000000000 ] - [ 0.0020848300000000, -0.0008580100000000, -0.0010895500000000 ] - [ 0.0029269900000000, -0.0024867200000000, -0.0020798300000000 ] - [ -0.0034200100000000, 0.0355893100000000, -0.0592429400000000 ] - [ 0.0087021300000000, 0.0357028200000000, -0.0593071900000000 ] - [ 0.0014466500000000, 0.0350723000000000, -0.0605569200000000 ] - [ 0.0032899300000000, 0.0351723800000000, -0.0605169700000000 ] - [ 0.0080279300000000, 0.0017856300000000, 0.0060747000000000 ] - [ 0.0020346200000000, 0.0017928600000000, -0.0011445000000000 ] - [ 0.0029452400000000, 0.0015000000000000, -0.0014293000000000 ] - [ 0.0024568300000000, 0.0025188900000000, -0.0017269600000000 ] - [ 0.0091005300000000, -0.0333277300000000, -0.0621072300000000 ] - [ -0.0046130100000000, -0.0333183200000000, -0.0623157400000000 ] - [ 0.0047163600000000, -0.0359652800000000, -0.0608438500000000 ] - [ 0.0004196300000000, -0.0355825300000000, -0.0610026600000000 ] - [ -0.0002701000000000, -0.0000048800000000, -0.0129494900000000 ] - [ 0.0002046600000000, 0.0009828000000000, -0.0235130300000000 ] - [ -0.0005823900000000, 0.0000518800000000, -0.0126809200000000 ] - [ -0.0002978100000000, 0.0006539200000000, -0.0159877100000000 ] - [ -0.0005146400000000, -0.0011451000000000, -0.0229244500000000 ] - [ 0.0001216600000000, -0.0015962600000000, -0.0127401900000000 ] - [ 0.0001302000000000, -0.0011099300000000, -0.0158523000000000 ] - [ 0.0003560900000000, -0.0014838400000000, -0.0124534900000000 ] - [ -0.0024553600000000, 0.0129630000000000, 0.0261710000000000 ] - [ 0.0021596200000000, 0.0127973400000000, 0.0261821300000000 ] - [ -0.0027027000000000, 0.0138972100000000, 0.0254348200000000 ] - [ 0.0023096500000000, 0.0139228900000000, 0.0256429200000000 ] - [ 0.0006922100000000, 0.0118289000000000, 0.0197981700000000 ] - [ -0.0007805900000000, 0.0113274300000000, 0.0262303400000000 ] - [ -0.0004968700000000, 0.0158836100000000, 0.0244874700000000 ] - [ -0.0009482100000000, 0.0115961800000000, 0.0263106700000000 ] - [ -0.0023609900000000, -0.0013892400000000, -0.0058850300000000 ] - [ -0.0008301900000000, -0.0011454500000000, -0.0015461200000000 ] - [ -0.0021025100000000, -0.0027143700000000, -0.0003324700000000 ] - [ -0.0012740100000000, -0.0015613500000000, -0.0008067600000000 ] - [ 0.0032278500000000, 0.0003996800000000, -0.0039775700000000 ] - [ 0.0001810400000000, -0.0010443100000000, -0.0023427500000000 ] - [ 0.0015903200000000, -0.0028241300000000, -0.0007244600000000 ] - [ 0.0006573800000000, -0.0014378600000000, -0.0015461900000000 ] - [ 0.0001626400000000, -0.0014636700000000, -0.0009915600000000 ] - [ 0.0026874100000000, -0.0030674200000000, 0.0001742300000000 ] - [ 0.0004059100000000, -0.0005754900000000, -0.0003304100000000 ] - [ 0.0010480700000000, 0.0006106400000000, 0.0001580600000000 ] - [ -0.0011944400000000, 0.0195913700000000, -0.0542117400000000 ] - [ -0.0014702400000000, 0.0210793600000000, -0.0603671800000000 ] - [ -0.0011766000000000, 0.0216914700000000, -0.0601873500000000 ] - [ -0.0013856100000000, 0.0215480000000000, -0.0607436400000000 ] - [ 0.0010407400000000, -0.0026825200000000, 0.0096609100000000 ] - [ 0.0016094500000000, -0.0035051300000000, 0.0059077900000000 ] - [ 0.0013253900000000, -0.0037436400000000, 0.0065038200000000 ] - [ 0.0013793600000000, -0.0038140600000000, 0.0053541800000000 ] - [ -0.0011965900000000, -0.0009368300000000, 0.0086705400000000 ] - [ -0.0015585300000000, -0.0016504000000000, 0.0050622800000000 ] - [ -0.0012643800000000, -0.0019757400000000, 0.0051884600000000 ] - [ -0.0014356500000000, -0.0020308900000000, 0.0043519500000000 ] - [ -0.0009343400000000, 0.0007878100000000, -0.0100919900000000 ] - [ -0.0005362900000000, 0.0010210200000000, -0.0066709800000000 ] - [ -0.0008070400000000, 0.0008807800000000, -0.0108807800000000 ] - [ -0.0008088600000000, 0.0010492900000000, -0.0100827000000000 ] - [ 0.0001305900000000, 0.0029785400000000, -0.0059569000000000 ] - [ 0.0006900500000000, 0.0022599500000000, -0.0100540800000000 ] - [ 0.0005158300000000, 0.0026370700000000, -0.0097584100000000 ] - [ 0.0005627300000000, 0.0024328200000000, -0.0107399600000000 ] - [ 0.0021652800000000, -0.0147849400000000, 0.0292459300000000 ] - [ -0.0017978400000000, -0.0145466600000000, 0.0290533700000000 ] - [ 0.0004314200000000, -0.0139223900000000, 0.0284949900000000 ] - [ -0.0007568000000000, -0.0138119500000000, 0.0283614100000000 ] - [ -0.0019010600000000, -0.0110507500000000, 0.0302586400000000 ] - [ -0.0008529700000000, -0.0110662000000000, 0.0273310700000000 ] - [ -0.0010665500000000, -0.0108022900000000, 0.0274327700000000 ] - [ -0.0009018700000000, -0.0110474300000000, 0.0270934600000000 ] - [ -0.0003951600000000, 0.0042636300000000, 0.0025561100000000 ] - [ -0.0017333900000000, 0.0019452000000000, 0.0002467100000000 ] - [ -0.0007664300000000, -0.0002058600000000, 0.0003530400000000 ] - [ -0.0016179100000000, 0.0015099000000000, -0.0002395000000000 ] - [ -0.0003083100000000, 0.0041729200000000, 0.0014842600000000 ] - [ 0.0011051300000000, 0.0021178400000000, -0.0002375300000000 ] - [ -0.0000667100000000, 0.0004844500000000, 0.0001665200000000 ] - [ 0.0010285100000000, 0.0016699300000000, -0.0007715800000000 ] - [ 0.0013116500000000, 0.0001158500000000, 0.0006380300000000 ] - [ -0.0030921700000000, -0.0001247000000000, 0.0058081700000000 ] - [ 0.0008481500000000, 0.0005388700000000, 0.0001529300000000 ] - [ 0.0004539600000000, 0.0000905900000000, 0.0001642100000000 ] - [ -0.0008542400000000, -0.0279755400000000, -0.0749417600000000 ] - [ -0.0011342100000000, -0.0222155100000000, -0.0617677300000000 ] - [ -0.0016057700000000, -0.0238827000000000, -0.0618202500000000 ] - [ -0.0012232900000000, -0.0220235100000000, -0.0612864000000000 ] - [ 0.0018100700000000, 0.0062460400000000, -0.0003326400000000 ] - [ 0.0008649700000000, 0.0042467900000000, 0.0034838800000000 ] - [ -0.0027756400000000, 0.0083865500000000, -0.0043773200000000 ] - [ 0.0009666200000000, 0.0037663600000000, 0.0039238900000000 ] - [ -0.0017799900000000, 0.0039288900000000, -0.0016183900000000 ] - [ -0.0008578900000000, 0.0024690800000000, 0.0022457800000000 ] - [ 0.0023547000000000, 0.0049869900000000, -0.0053010700000000 ] - [ -0.0009454600000000, 0.0019315100000000, 0.0027185200000000 ]- atom: 5 displacement: [ 0.0099999993466229, 0.0000000000000000, -0.0000036149054082 ] forces: - [ 0.0033762200000000, 0.0072023400000000, 0.0042146600000000 ] - [ 0.0031021700000000, 0.0053391400000000, 0.0054087100000000 ] - [ 0.0030922800000000, 0.0050512700000000, 0.0042878200000000 ] - [ 0.0030831500000000, 0.0072095100000000, 0.0053907200000000 ] - [ -0.1335943100000000, -0.0049610800000000, -0.0012587800000000 ] - [ 0.0013565500000000, -0.0020033100000000, -0.0049254700000000 ] - [ -0.0065272900000000, -0.0017861600000000, -0.0047178900000000 ] - [ 0.0002644400000000, -0.0018966400000000, -0.0049429800000000 ] - [ 0.0256530500000000, -0.0014166200000000, 0.0104439300000000 ] - [ 0.0209712800000000, -0.0093807600000000, 0.0008926600000000 ] - [ 0.0033244000000000, -0.0059713900000000, 0.0049292400000000 ] - [ 0.0037657300000000, -0.0058810200000000, 0.0049182100000000 ] - [ -0.0059479000000000, 0.0025538200000000, -0.0049312300000000 ] - [ 0.0000297300000000, 0.0020239400000000, -0.0049655000000000 ] - [ -0.0053309900000000, 0.0022625900000000, -0.0049858300000000 ] - [ 0.0000160300000000, 0.0019158700000000, -0.0049992700000000 ] - [ -0.0108624500000000, -0.0117266700000000, -0.0080388500000000 ] - [ -0.0051112400000000, -0.0186831400000000, -0.0260350700000000 ] - [ -0.0118538000000000, -0.0181172600000000, -0.0238001100000000 ] - [ -0.0076461100000000, -0.0178231300000000, -0.0258635400000000 ] - [ 0.0080223900000000, -0.0214723700000000, -0.0388933100000000 ] - [ 0.0132792100000000, -0.0145110200000000, -0.0231991100000000 ] - [ 0.0072399700000000, -0.0140359800000000, -0.0247434200000000 ] - [ 0.0110346400000000, -0.0150607300000000, -0.0232813800000000 ] - [ 0.0191108900000000, -0.0506889000000000, 0.0767474100000000 ] - [ 0.0262681300000000, -0.0242361500000000, 0.0660907700000000 ] - [ 0.0141953100000000, -0.0017173400000000, 0.0819346100000000 ] - [ 0.0244744600000000, -0.0268261700000000, 0.0659856700000000 ] - [ -0.0229884900000000, 0.0024848700000000, 0.0603585100000000 ] - [ -0.0164466100000000, -0.0247263100000000, 0.0692347300000000 ] - [ -0.0335108500000000, -0.0491115500000000, 0.0539736800000000 ] - [ -0.0176536900000000, -0.0223273600000000, 0.0693689800000000 ] - [ -0.0114049000000000, 0.0006811700000000, -0.0375227900000000 ] - [ -0.0045787000000000, 0.0196768900000000, -0.0246941800000000 ] - [ -0.0123745400000000, 0.0335633000000000, -0.0439419400000000 ] - [ -0.0053152100000000, 0.0173359700000000, -0.0245626900000000 ] - [ 0.0069067200000000, 0.0293188800000000, -0.0125783100000000 ] - [ 0.0141789200000000, 0.0136433500000000, -0.0243155600000000 ] - [ 0.0017390600000000, 0.0005982500000000, -0.0058515700000000 ] - [ 0.0139133900000000, 0.0153886100000000, -0.0245118200000000 ] - [ -0.0273834500000000, 0.0222781700000000, 0.0719872500000000 ] - [ -0.0188990900000000, 0.0233266200000000, 0.0674316700000000 ] - [ -0.0252264800000000, 0.0219632300000000, 0.0701905200000000 ] - [ -0.0199764200000000, 0.0235833200000000, 0.0676053800000000 ] - [ 0.0150570400000000, 0.0264863200000000, 0.0621385900000000 ] - [ 0.0236071700000000, 0.0257929500000000, 0.0677579100000000 ] - [ 0.0169226800000000, 0.0274003300000000, 0.0642445200000000 ] - [ 0.0224930900000000, 0.0257606000000000, 0.0676239800000000 ] - [ 0.0133032000000000, -0.0000140600000000, -0.0038489200000000 ] - [ 0.0014763800000000, -0.0027485500000000, -0.0018967800000000 ] - [ 0.0051814900000000, -0.0000343800000000, -0.0016935600000000 ] - [ 0.0018690700000000, -0.0032178000000000, -0.0021551500000000 ] - [ 0.0174825100000000, 0.0359784400000000, -0.0610290900000000 ] - [ -0.0021626800000000, 0.0349889700000000, -0.0609393300000000 ] - [ 0.0289780300000000, 0.0340756100000000, -0.0612712200000000 ] - [ -0.0011615300000000, 0.0350070800000000, -0.0609117700000000 ] - [ 0.0044239700000000, 0.0035758400000000, -0.0057724400000000 ] - [ 0.0017379800000000, 0.0025734600000000, -0.0013080300000000 ] - [ 0.0048106400000000, 0.0051109200000000, -0.0059893500000000 ] - [ 0.0017840600000000, 0.0022870000000000, -0.0010941400000000 ] - [ 0.0099769900000000, -0.0351963800000000, -0.0605901800000000 ] - [ -0.0007431600000000, -0.0350319500000000, -0.0609110500000000 ] - [ 0.0069688600000000, -0.0353661400000000, -0.0607246300000000 ] - [ 0.0000552000000000, -0.0350705500000000, -0.0609171200000000 ] - [ 0.0002660800000000, 0.0011802500000000, -0.0137628000000000 ] - [ -0.0015415000000000, -0.0007058300000000, -0.0113385800000000 ] - [ -0.0000547500000000, -0.0003580300000000, -0.0118232700000000 ] - [ -0.0012662100000000, -0.0004805400000000, -0.0114924500000000 ] - [ 0.0011423700000000, -0.0039996000000000, -0.0086749200000000 ] - [ -0.0004647700000000, -0.0018720000000000, -0.0116740700000000 ] - [ 0.0010316300000000, -0.0021376200000000, -0.0111694300000000 ] - [ -0.0002213300000000, -0.0020630000000000, -0.0115335400000000 ] - [ 0.0086785600000000, 0.0137810800000000, 0.0273931800000000 ] - [ -0.0028520700000000, 0.0139146200000000, 0.0276666100000000 ] - [ 0.0024817400000000, 0.0135554800000000, 0.0275171800000000 ] - [ -0.0018716800000000, 0.0138369700000000, 0.0276610000000000 ] - [ -0.0043277200000000, 0.0113115300000000, 0.0275696900000000 ] - [ -0.0039482400000000, 0.0112706600000000, 0.0257569600000000 ] - [ -0.0015691700000000, 0.0113490900000000, 0.0267962000000000 ] - [ -0.0013427500000000, 0.0111875800000000, 0.0266852900000000 ] - [ -0.0017947900000000, -0.0047396400000000, 0.0021036700000000 ] - [ -0.0021100000000000, -0.0010748200000000, -0.0006830300000000 ] - [ -0.0009080900000000, 0.0021658100000000, -0.0004602700000000 ] - [ -0.0022610900000000, -0.0016632300000000, -0.0004221900000000 ] - [ 0.0000847100000000, -0.0020994800000000, -0.0010438600000000 ] - [ 0.0006150300000000, 0.0010720600000000, -0.0034452900000000 ] - [ 0.0000038700000000, -0.0012881500000000, -0.0014314300000000 ] - [ 0.0011240800000000, -0.0035601500000000, -0.0028184700000000 ] - [ 0.0039781800000000, -0.0005629100000000, -0.0066007400000000 ] - [ -0.0004465900000000, -0.0007243400000000, -0.0003783800000000 ] - [ 0.0017314100000000, -0.0034966000000000, -0.0012700200000000 ] - [ -0.0000167100000000, -0.0004079700000000, -0.0001337200000000 ] - [ -0.0050250800000000, 0.0185021600000000, -0.0589289200000000 ] - [ -0.0046541100000000, 0.0248426100000000, -0.0630468100000000 ] - [ -0.0022738900000000, 0.0226164100000000, -0.0600115800000000 ] - [ -0.0029145100000000, 0.0208740900000000, -0.0618961700000000 ] - [ 0.0019352400000000, -0.0081170300000000, 0.0037597500000000 ] - [ -0.0001653800000000, -0.0037897800000000, 0.0044925000000000 ] - [ 0.0165985900000000, 0.0006655100000000, 0.0066238500000000 ] - [ -0.0016616200000000, -0.0055142500000000, 0.0040802300000000 ] - [ -0.0024434500000000, -0.0021606300000000, 0.0038913900000000 ] - [ -0.0007865200000000, 0.0018315100000000, 0.0032570300000000 ] - [ -0.0038981800000000, -0.0001898400000000, 0.0042169400000000 ] - [ 0.0087660400000000, -0.0094271000000000, 0.0032712100000000 ] - [ 0.0065875000000000, 0.0061755000000000, -0.0097526000000000 ] - [ -0.0027582500000000, -0.0003432100000000, -0.0114212900000000 ] - [ 0.0010111100000000, -0.0036920600000000, -0.0117568500000000 ] - [ -0.0015617500000000, 0.0007778400000000, -0.0113664300000000 ] - [ 0.0104430200000000, 0.0001861600000000, -0.0132522300000000 ] - [ -0.0018581800000000, 0.0029007300000000, -0.0117165100000000 ] - [ 0.0026450900000000, 0.0055595100000000, -0.0116427100000000 ] - [ -0.0007046000000000, 0.0017886900000000, -0.0117267300000000 ] - [ 0.0086949400000000, -0.0134563300000000, 0.0276456600000000 ] - [ -0.0034590900000000, -0.0139272400000000, 0.0276111100000000 ] - [ 0.0157262900000000, -0.0163719600000000, 0.0296667700000000 ] - [ -0.0030683300000000, -0.0138539300000000, 0.0276241800000000 ] - [ -0.0044960200000000, -0.0136360200000000, 0.0253907500000000 ] - [ -0.0047239000000000, -0.0092860600000000, 0.0280557400000000 ] - [ -0.0023701000000000, -0.0103676100000000, 0.0255903900000000 ] - [ -0.0035226900000000, -0.0125295200000000, 0.0278807200000000 ] - [ -0.0011172300000000, 0.0028378300000000, -0.0070936400000000 ] - [ -0.0029954300000000, 0.0011822400000000, 0.0009784000000000 ] - [ -0.0015970400000000, -0.0018650000000000, -0.0020947100000000 ] - [ -0.0022759200000000, 0.0019623100000000, 0.0001529900000000 ] - [ -0.0006897500000000, 0.0020277000000000, -0.0027083000000000 ] - [ 0.0008583200000000, 0.0011927300000000, 0.0056716700000000 ] - [ 0.0000396500000000, 0.0009288400000000, -0.0020265800000000 ] - [ 0.0007576500000000, 0.0057073700000000, 0.0012579300000000 ] - [ 0.0018108000000000, 0.0002837000000000, 0.0032577600000000 ] - [ -0.0001821300000000, 0.0008841100000000, -0.0008651100000000 ] - [ 0.0020667600000000, -0.0019407800000000, 0.0039681200000000 ] - [ -0.0000938800000000, 0.0011115800000000, -0.0009662800000000 ] - [ -0.0024892100000000, -0.0213852700000000, -0.0610365600000000 ] - [ -0.0022035400000000, -0.0219091100000000, -0.0608582500000000 ] - [ -0.0018998300000000, -0.0212017900000000, -0.0609563400000000 ] - [ -0.0017214300000000, -0.0222011300000000, -0.0609029300000000 ] - [ 0.0021044800000000, 0.0052423700000000, 0.0068182700000000 ] - [ 0.0002735500000000, 0.0038454100000000, 0.0045403200000000 ] - [ 0.0019781000000000, 0.0035316800000000, 0.0048166700000000 ] - [ 0.0005021900000000, 0.0040321000000000, 0.0046620400000000 ] - [ -0.0021248300000000, 0.0019983700000000, 0.0039764700000000 ] - [ -0.0005254800000000, 0.0011011700000000, 0.0018818800000000 ] - [ -0.0019526200000000, 0.0017062900000000, 0.0038225400000000 ] - [ -0.0005521000000000, 0.0020801700000000, 0.0036241000000000 ]- atom: 5 displacement: [ -0.0099999993466229, 0.0000000000000000, 0.0000036149054082 ] forces: - [ 0.0000828700000000, 0.0052993100000000, 0.0054952100000000 ] - [ 0.0003417100000000, 0.0071625700000000, 0.0043042900000000 ] - [ 0.0003605000000000, 0.0074564200000000, 0.0054296400000000 ] - [ 0.0003602400000000, 0.0053030400000000, 0.0043249700000000 ] - [ 0.1308518600000000, 0.0007911800000000, -0.0087921300000000 ] - [ -0.0044040800000000, -0.0021685500000000, -0.0048825800000000 ] - [ 0.0034848500000000, -0.0024147900000000, -0.0050802800000000 ] - [ -0.0033131500000000, -0.0022842900000000, -0.0048681500000000 ] - [ -0.0225569600000000, -0.0111818700000000, -0.0008312300000000 ] - [ -0.0172691600000000, -0.0031720700000000, 0.0087543900000000 ] - [ 0.0001317000000000, -0.0065356300000000, 0.0047910200000000 ] - [ -0.0003267200000000, -0.0066349900000000, 0.0048018000000000 ] - [ 0.0028984000000000, 0.0016177100000000, -0.0048826200000000 ] - [ -0.0030800100000000, 0.0021480500000000, -0.0048475100000000 ] - [ 0.0022863400000000, 0.0019121100000000, -0.0048218900000000 ] - [ -0.0030634700000000, 0.0022609200000000, -0.0048131300000000 ] - [ -0.0084619200000000, -0.0237771100000000, -0.0429035100000000 ] - [ -0.0141805500000000, -0.0168376500000000, -0.0249452400000000 ] - [ -0.0074577300000000, -0.0174159900000000, -0.0272039300000000 ] - [ -0.0116414600000000, -0.0177046400000000, -0.0251201700000000 ] - [ 0.0106828900000000, -0.0088629400000000, -0.0081731300000000 ] - [ 0.0053953600000000, -0.0158297500000000, -0.0238949900000000 ] - [ 0.0114459900000000, -0.0163010700000000, -0.0223681000000000 ] - [ 0.0076380200000000, -0.0152885800000000, -0.0238154600000000 ] - [ 0.0208988400000000, -0.0017787500000000, 0.0572874100000000 ] - [ 0.0137649000000000, -0.0281104900000000, 0.0678873000000000 ] - [ 0.0256633500000000, -0.0503956600000000, 0.0521798900000000 ] - [ 0.0155715400000000, -0.0254971300000000, 0.0679940700000000 ] - [ -0.0215807200000000, -0.0485922700000000, 0.0762546200000000 ] - [ -0.0281442300000000, -0.0212917900000000, 0.0673470700000000 ] - [ -0.0109351000000000, 0.0033233800000000, 0.0827324600000000 ] - [ -0.0269648200000000, -0.0236664600000000, 0.0672103400000000 ] - [ -0.0078983800000000, 0.0347728700000000, -0.0135007000000000 ] - [ -0.0147221900000000, 0.0158343600000000, -0.0262967100000000 ] - [ -0.0071352800000000, 0.0020526000000000, -0.0071662800000000 ] - [ -0.0139805700000000, 0.0182008600000000, -0.0264281300000000 ] - [ 0.0117824500000000, 0.0009871700000000, -0.0345181900000000 ] - [ 0.0045043200000000, 0.0166917200000000, -0.0227888600000000 ] - [ 0.0171271600000000, 0.0298283600000000, -0.0413681100000000 ] - [ 0.0047560600000000, 0.0149700200000000, -0.0225895900000000 ] - [ -0.0171935600000000, 0.0237155700000000, 0.0645691700000000 ] - [ -0.0257036700000000, 0.0226854600000000, 0.0691343700000000 ] - [ -0.0193714700000000, 0.0240448300000000, 0.0663825500000000 ] - [ -0.0246302100000000, 0.0224264500000000, 0.0689634900000000 ] - [ 0.0249563100000000, 0.0258512100000000, 0.0718100400000000 ] - [ 0.0164339700000000, 0.0265456100000000, 0.0662015000000000 ] - [ 0.0231109800000000, 0.0249314400000000, 0.0697225100000000 ] - [ 0.0175511700000000, 0.0265784000000000, 0.0663399300000000 ] - [ -0.0082533700000000, -0.0057996300000000, 0.0001247700000000 ] - [ 0.0038964300000000, -0.0027917500000000, -0.0022380400000000 ] - [ 0.0001742800000000, -0.0055150600000000, -0.0024307200000000 ] - [ 0.0035060400000000, -0.0023204500000000, -0.0019742700000000 ] - [ -0.0124038100000000, 0.0342212600000000, -0.0607356800000000 ] - [ 0.0072288100000000, 0.0352307700000000, -0.0608391000000000 ] - [ -0.0238600100000000, 0.0363551600000000, -0.0604494800000000 ] - [ 0.0062307000000000, 0.0352051000000000, -0.0608706600000000 ] - [ 0.0009441800000000, 0.0019740600000000, 0.0016342400000000 ] - [ 0.0036338800000000, 0.0029633900000000, -0.0028174400000000 ] - [ 0.0005450100000000, 0.0004246100000000, 0.0018706500000000 ] - [ 0.0035898400000000, 0.0032491500000000, -0.0030336300000000 ] - [ -0.0049066000000000, -0.0350280900000000, -0.0611943600000000 ] - [ 0.0058111800000000, -0.0351847900000000, -0.0608654100000000 ] - [ -0.0018992200000000, -0.0348465700000000, -0.0610519100000000 ] - [ 0.0050116800000000, -0.0351449900000000, -0.0608596400000000 ] - [ -0.0015843300000000, -0.0021306900000000, -0.0094881700000000 ] - [ 0.0002217600000000, -0.0002447800000000, -0.0119133400000000 ] - [ -0.0012615500000000, -0.0005950900000000, -0.0114269300000000 ] - [ -0.0000538400000000, -0.0004729700000000, -0.0117610600000000 ] - [ -0.0003384200000000, -0.0000230700000000, -0.0142514300000000 ] - [ 0.0012660400000000, -0.0021510600000000, -0.0112612200000000 ] - [ -0.0002339400000000, -0.0018888900000000, -0.0117629400000000 ] - [ 0.0010233300000000, -0.0019607000000000, -0.0114024200000000 ] - [ -0.0091800600000000, 0.0138018400000000, 0.0278988200000000 ] - [ 0.0023459800000000, 0.0136852400000000, 0.0276212100000000 ] - [ -0.0029835300000000, 0.0140508500000000, 0.0277777300000000 ] - [ 0.0013654300000000, 0.0137651600000000, 0.0276269500000000 ] - [ 0.0024841800000000, 0.0112378800000000, 0.0259564200000000 ] - [ 0.0021262300000000, 0.0112736600000000, 0.0277702600000000 ] - [ -0.0002758000000000, 0.0111917700000000, 0.0267360300000000 ] - [ -0.0004807500000000, 0.0113553300000000, 0.0268474000000000 ] - [ -0.0010821400000000, 0.0016679500000000, -0.0032167900000000 ] - [ -0.0007617700000000, -0.0019798600000000, -0.0004481800000000 ] - [ -0.0019806400000000, -0.0052327800000000, -0.0006699300000000 ] - [ -0.0006096600000000, -0.0013992500000000, -0.0007032400000000 ] - [ 0.0015009600000000, -0.0010309100000000, -0.0013464100000000 ] - [ 0.0009736000000000, -0.0041992400000000, 0.0010561700000000 ] - [ 0.0015821900000000, -0.0018483100000000, -0.0009535100000000 ] - [ 0.0004772700000000, 0.0004037200000000, 0.0004377900000000 ] - [ -0.0025124900000000, -0.0010572000000000, 0.0064027200000000 ] - [ 0.0016757100000000, -0.0007477100000000, -0.0000501200000000 ] - [ -0.0004883900000000, 0.0020364000000000, 0.0008625800000000 ] - [ 0.0012456600000000, -0.0010635500000000, -0.0002903600000000 ] - [ 0.0023094600000000, 0.0248623900000000, -0.0630629200000000 ] - [ 0.0019460700000000, 0.0185237500000000, -0.0589415100000000 ] - [ -0.0004647600000000, 0.0207231200000000, -0.0619632600000000 ] - [ 0.0002518500000000, 0.0224683800000000, -0.0600807900000000 ] - [ 0.0005028600000000, 0.0004524200000000, 0.0057212900000000 ] - [ 0.0026087100000000, -0.0038557100000000, 0.0049883500000000 ] - [ -0.0151340100000000, -0.0077825600000000, 0.0027622600000000 ] - [ 0.0040899900000000, -0.0021537600000000, 0.0053956600000000 ] - [ -0.0000355400000000, -0.0018471500000000, 0.0034461500000000 ] - [ -0.0016912700000000, -0.0058408800000000, 0.0040789800000000 ] - [ 0.0014379600000000, -0.0038404100000000, 0.0031174800000000 ] - [ -0.0104834900000000, 0.0057478300000000, 0.0039814300000000 ] - [ -0.0075132200000000, -0.0056112600000000, -0.0136360600000000 ] - [ 0.0014476900000000, 0.0013055300000000, -0.0118311200000000 ] - [ -0.0023036100000000, 0.0046292600000000, -0.0114952500000000 ] - [ 0.0002406900000000, 0.0001724900000000, -0.0118884000000000 ] - [ -0.0100811100000000, 0.0033246600000000, -0.0098669900000000 ] - [ 0.0026492500000000, 0.0011323600000000, -0.0112202900000000 ] - [ -0.0018687200000000, -0.0015538200000000, -0.0112899700000000 ] - [ 0.0015092400000000, 0.0022334800000000, -0.0112108500000000 ] - [ -0.0091936000000000, -0.0141273400000000, 0.0276462400000000 ] - [ 0.0029546800000000, -0.0136703200000000, 0.0276767800000000 ] - [ -0.0161651600000000, -0.0110834400000000, 0.0255292200000000 ] - [ 0.0025646100000000, -0.0137501400000000, 0.0276663000000000 ] - [ 0.0026624000000000, -0.0088846600000000, 0.0281486000000000 ] - [ 0.0028881900000000, -0.0132370900000000, 0.0254807300000000 ] - [ 0.0005147600000000, -0.0121805900000000, 0.0279456000000000 ] - [ 0.0017266600000000, -0.0100149700000000, 0.0256521000000000 ] - [ -0.0017715400000000, 0.0002075400000000, 0.0060314000000000 ] - [ 0.0001166300000000, 0.0018693600000000, -0.0020960300000000 ] - [ -0.0012801600000000, 0.0049263900000000, 0.0009691900000000 ] - [ -0.0005955800000000, 0.0011035000000000, -0.0012781800000000 ] - [ 0.0022844900000000, 0.0010993100000000, 0.0003342300000000 ] - [ 0.0007413600000000, 0.0019168200000000, -0.0080020900000000 ] - [ 0.0015476300000000, 0.0022119800000000, -0.0003532300000000 ] - [ 0.0008335400000000, -0.0025604800000000, -0.0036344900000000 ] - [ -0.0005764900000000, 0.0011919900000000, -0.0036781800000000 ] - [ 0.0014131600000000, 0.0005858900000000, 0.0004454100000000 ] - [ -0.0008208300000000, 0.0034156500000000, -0.0043908600000000 ] - [ 0.0013243900000000, 0.0003569400000000, 0.0005444900000000 ] - [ -0.0002234100000000, -0.0219529400000000, -0.0609300300000000 ] - [ -0.0004980600000000, -0.0214309800000000, -0.0611089300000000 ] - [ -0.0008138400000000, -0.0221380200000000, -0.0610131000000000 ] - [ -0.0009788900000000, -0.0211378600000000, -0.0610663800000000 ] - [ 0.0003315200000000, 0.0024047800000000, 0.0026590300000000 ] - [ 0.0021696100000000, 0.0038038800000000, 0.0049413500000000 ] - [ 0.0004605000000000, 0.0041194600000000, 0.0046667900000000 ] - [ 0.0019407800000000, 0.0036199200000000, 0.0048195200000000 ] - [ -0.0003547400000000, 0.0020124000000000, 0.0033640400000000 ] - [ -0.0019471200000000, 0.0029073400000000, 0.0054580200000000 ] - [ -0.0005269600000000, 0.0023059800000000, 0.0035172500000000 ] - [ -0.0019229900000000, 0.0019345200000000, 0.0037162700000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0030219400000000, 0.0072756100000000, 0.0040104600000000 ] - [ 0.0006331500000000, 0.0066941100000000, 0.0040696900000000 ] - [ 0.0011792400000000, 0.0054263200000000, 0.0056493300000000 ] - [ 0.0025548900000000, 0.0061540100000000, 0.0059087700000000 ] - [ -0.0043623700000000, -0.1266059200000000, -0.0005697900000000 ] - [ -0.0014429500000000, -0.0042453500000000, -0.0045624100000000 ] - [ -0.0012119700000000, 0.0118653900000000, -0.0055954800000000 ] - [ -0.0013313800000000, -0.0000810600000000, -0.0050988100000000 ] - [ 0.0052330800000000, -0.0200756900000000, 0.0050682700000000 ] - [ -0.0002571600000000, -0.0180353200000000, 0.0051054800000000 ] - [ 0.0017092800000000, -0.0004970500000000, 0.0037555900000000 ] - [ 0.0019772200000000, -0.0000466600000000, 0.0037164500000000 ] - [ -0.0019941900000000, 0.0042526600000000, -0.0040937800000000 ] - [ -0.0014643200000000, 0.0026895600000000, -0.0046899900000000 ] - [ -0.0017008900000000, -0.0000240300000000, -0.0064718100000000 ] - [ -0.0013534400000000, 0.0014251000000000, -0.0052117600000000 ] - [ -0.0137481400000000, -0.0312386000000000, -0.0313661800000000 ] - [ -0.0075860500000000, -0.0201099300000000, -0.0252981900000000 ] - [ -0.0085971600000000, -0.0101971800000000, -0.0239044400000000 ] - [ -0.0098388700000000, -0.0159725700000000, -0.0252899100000000 ] - [ 0.0119144600000000, -0.0278891600000000, -0.0316635500000000 ] - [ 0.0089387700000000, -0.0171232800000000, -0.0235715500000000 ] - [ 0.0082344600000000, -0.0077593600000000, -0.0206810200000000 ] - [ 0.0091897700000000, -0.0134287900000000, -0.0229494700000000 ] - [ -0.0010293700000000, -0.0099228300000000, 0.0531350900000000 ] - [ 0.0236097600000000, -0.0249053400000000, 0.0664774300000000 ] - [ 0.0508846000000000, -0.0016140400000000, 0.0797551700000000 ] - [ 0.0161444300000000, -0.0268252000000000, 0.0680765100000000 ] - [ -0.0007055500000000, -0.0021020500000000, 0.0527775800000000 ] - [ -0.0253721700000000, -0.0221152600000000, 0.0676162700000000 ] - [ -0.0510672800000000, 0.0033150600000000, 0.0825474100000000 ] - [ -0.0174017000000000, -0.0234727000000000, 0.0695899900000000 ] - [ -0.0186067600000000, 0.0342566600000000, -0.0101987000000000 ] - [ -0.0064813000000000, 0.0193300700000000, -0.0249072500000000 ] - [ 0.0118128900000000, 0.0289674600000000, -0.0442023200000000 ] - [ -0.0122705900000000, 0.0164952300000000, -0.0265127500000000 ] - [ 0.0174478900000000, 0.0317020300000000, -0.0073391600000000 ] - [ 0.0064302900000000, 0.0165160800000000, -0.0229365000000000 ] - [ -0.0100249100000000, 0.0260919500000000, -0.0428345000000000 ] - [ 0.0128606800000000, 0.0138653800000000, -0.0247460400000000 ] - [ -0.0213507600000000, 0.0162384100000000, 0.0664995800000000 ] - [ -0.0223077500000000, 0.0214646700000000, 0.0678054200000000 ] - [ -0.0233494400000000, 0.0297639200000000, 0.0689881200000000 ] - [ -0.0221618500000000, 0.0247535200000000, 0.0683831200000000 ] - [ 0.0179918600000000, 0.0208664500000000, 0.0650144800000000 ] - [ 0.0206761900000000, 0.0248714100000000, 0.0663323300000000 ] - [ 0.0212173200000000, 0.0314639100000000, 0.0678292600000000 ] - [ 0.0198922200000000, 0.0275044600000000, 0.0672339800000000 ] - [ 0.0016069400000000, 0.0058395400000000, 0.0040952600000000 ] - [ 0.0031423500000000, -0.0016659600000000, -0.0016638100000000 ] - [ 0.0032317500000000, -0.0124055900000000, -0.0064636100000000 ] - [ 0.0021675900000000, -0.0043266600000000, -0.0031415900000000 ] - [ 0.0039574800000000, 0.0237190800000000, -0.0572274100000000 ] - [ 0.0020478300000000, 0.0343438400000000, -0.0611264700000000 ] - [ 0.0035963900000000, 0.0421412200000000, -0.0588419400000000 ] - [ 0.0025140800000000, 0.0354643700000000, -0.0605837300000000 ] - [ 0.0026109400000000, 0.0061433400000000, -0.0077388400000000 ] - [ 0.0030408600000000, 0.0033647900000000, -0.0029024700000000 ] - [ 0.0029595200000000, -0.0025626000000000, 0.0045080700000000 ] - [ 0.0021585800000000, 0.0019512400000000, -0.0008178200000000 ] - [ 0.0036585200000000, -0.0329827300000000, -0.0606076400000000 ] - [ 0.0023394700000000, -0.0346798700000000, -0.0608578700000000 ] - [ 0.0019132600000000, -0.0369174200000000, -0.0608723000000000 ] - [ 0.0023303600000000, -0.0355512300000000, -0.0608258200000000 ] - [ -0.0004161200000000, 0.0003385100000000, -0.0108302800000000 ] - [ -0.0009843100000000, -0.0003145900000000, -0.0115225900000000 ] - [ -0.0007103600000000, -0.0015634200000000, -0.0116091800000000 ] - [ -0.0005962500000000, -0.0006648800000000, -0.0115912600000000 ] - [ 0.0003763500000000, -0.0021835400000000, -0.0099333600000000 ] - [ 0.0005620300000000, -0.0018102900000000, -0.0114636800000000 ] - [ 0.0004547100000000, -0.0025874500000000, -0.0115742200000000 ] - [ 0.0002851600000000, -0.0021904300000000, -0.0114689400000000 ] - [ 0.0015964800000000, 0.0173231600000000, 0.0279168200000000 ] - [ -0.0006043900000000, 0.0144474000000000, 0.0277351000000000 ] - [ -0.0007426200000000, 0.0117006000000000, 0.0276665100000000 ] - [ -0.0004046300000000, 0.0133177400000000, 0.0275855300000000 ] - [ -0.0043803100000000, 0.0120999600000000, 0.0273686400000000 ] - [ 0.0009455300000000, 0.0123041900000000, 0.0271901100000000 ] - [ -0.0001250200000000, 0.0106399500000000, 0.0265446700000000 ] - [ -0.0009863400000000, 0.0104490200000000, 0.0266277500000000 ] - [ -0.0032063400000000, -0.0074675600000000, 0.0052394900000000 ] - [ -0.0010357900000000, -0.0027179500000000, 0.0002566200000000 ] - [ 0.0003827300000000, 0.0053530400000000, -0.0078877000000000 ] - [ -0.0019600700000000, -0.0000876400000000, -0.0017468700000000 ] - [ 0.0003973100000000, -0.0027943700000000, -0.0003483300000000 ] - [ 0.0027083100000000, -0.0064976900000000, 0.0046914700000000 ] - [ 0.0010735400000000, -0.0000767600000000, -0.0025049700000000 ] - [ -0.0015031400000000, 0.0052633200000000, -0.0097061200000000 ] - [ 0.0032173000000000, 0.0066228300000000, 0.0077781600000000 ] - [ 0.0000300400000000, -0.0000532400000000, -0.0001375200000000 ] - [ -0.0002385000000000, -0.0085721900000000, -0.0042417900000000 ] - [ 0.0009510800000000, -0.0017263900000000, -0.0009380600000000 ] - [ -0.0075778100000000, 0.0219543700000000, -0.0608310400000000 ] - [ 0.0049139900000000, 0.0223324200000000, -0.0608003100000000 ] - [ 0.0059066100000000, 0.0185560800000000, -0.0600834100000000 ] - [ -0.0100666700000000, 0.0181338600000000, -0.0600236200000000 ] - [ -0.0007569500000000, -0.0099557200000000, 0.0036695600000000 ] - [ 0.0012574200000000, -0.0050988500000000, 0.0044663400000000 ] - [ 0.0044417500000000, 0.0073342800000000, 0.0075662500000000 ] - [ 0.0005264300000000, -0.0025813200000000, 0.0050631800000000 ] - [ -0.0014008000000000, -0.0031166700000000, 0.0034764600000000 ] - [ 0.0007531500000000, -0.0076212600000000, 0.0027780200000000 ] - [ -0.0008846000000000, -0.0009019100000000, 0.0039639200000000 ] - [ -0.0072721100000000, 0.0063896600000000, 0.0078519400000000 ] - [ -0.0013045700000000, 0.0025144900000000, -0.0131040000000000 ] - [ -0.0013152400000000, 0.0010585300000000, -0.0116219200000000 ] - [ -0.0026950600000000, -0.0050683200000000, -0.0100288100000000 ] - [ -0.0000012000000000, 0.0000345000000000, -0.0113805000000000 ] - [ -0.0001115700000000, 0.0054319700000000, -0.0133533300000000 ] - [ 0.0009664700000000, 0.0026236200000000, -0.0114439000000000 ] - [ 0.0025148200000000, -0.0031449500000000, -0.0101480300000000 ] - [ -0.0004814400000000, 0.0015138700000000, -0.0112849100000000 ] - [ -0.0003058100000000, -0.0178355300000000, 0.0264171900000000 ] - [ -0.0005636400000000, -0.0145242100000000, 0.0277998200000000 ] - [ -0.0001156500000000, -0.0055314800000000, 0.0220703400000000 ] - [ -0.0002508600000000, -0.0131784900000000, 0.0274694100000000 ] - [ -0.0064446100000000, -0.0120429100000000, 0.0257370100000000 ] - [ 0.0050879000000000, -0.0115700900000000, 0.0256897500000000 ] - [ 0.0039963200000000, -0.0120878500000000, 0.0273259600000000 ] - [ -0.0076587000000000, -0.0126346000000000, 0.0277231400000000 ] - [ -0.0001831100000000, 0.0073043900000000, 0.0037789000000000 ] - [ -0.0017052300000000, 0.0028838400000000, 0.0001815700000000 ] - [ -0.0026764900000000, -0.0047635300000000, -0.0034674900000000 ] - [ -0.0012735600000000, 0.0001711800000000, -0.0010650300000000 ] - [ 0.0008991600000000, 0.0028780200000000, -0.0004321300000000 ] - [ -0.0004932000000000, 0.0075969500000000, 0.0036103400000000 ] - [ 0.0006094500000000, 0.0002379700000000, -0.0018382700000000 ] - [ 0.0019233100000000, -0.0047309200000000, -0.0043807200000000 ] - [ 0.0009078300000000, 0.0031317100000000, -0.0046003300000000 ] - [ 0.0002297500000000, 0.0011700900000000, -0.0008760600000000 ] - [ 0.0003185100000000, -0.0038559300000000, 0.0053352400000000 ] - [ 0.0009517600000000, 0.0001915500000000, 0.0006416800000000 ] - [ -0.0022023700000000, -0.0207934400000000, -0.0607080600000000 ] - [ -0.0010043600000000, -0.0208854800000000, -0.0607371600000000 ] - [ -0.0006864100000000, -0.0225186100000000, -0.0608945700000000 ] - [ -0.0015454500000000, -0.0225492800000000, -0.0609919400000000 ] - [ 0.0007552300000000, 0.0065408100000000, 0.0064917000000000 ] - [ 0.0011386400000000, 0.0045275300000000, 0.0047461200000000 ] - [ 0.0014457800000000, 0.0016520700000000, 0.0047122100000000 ] - [ 0.0013855100000000, 0.0030961500000000, 0.0047895100000000 ] - [ -0.0013909400000000, 0.0026296200000000, 0.0038446200000000 ] - [ -0.0006972800000000, 0.0039009600000000, 0.0047474200000000 ] - [ -0.0014051200000000, 0.0013154700000000, 0.0037128700000000 ] - [ -0.0013573700000000, 0.0004966000000000, 0.0037566700000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004376200000000, 0.0052422000000000, 0.0057045400000000 ] - [ 0.0028143100000000, 0.0058239900000000, 0.0056467500000000 ] - [ 0.0022743200000000, 0.0070689000000000, 0.0040769200000000 ] - [ 0.0008949100000000, 0.0063456400000000, 0.0038169100000000 ] - [ 0.0013822000000000, 0.1211818000000000, -0.0091639400000000 ] - [ -0.0016063800000000, 0.0000734500000000, -0.0052432500000000 ] - [ -0.0018394200000000, -0.0160552800000000, -0.0042170800000000 ] - [ -0.0017173000000000, -0.0040903200000000, -0.0047110700000000 ] - [ -0.0017195300000000, 0.0076191800000000, 0.0046688400000000 ] - [ 0.0036652900000000, 0.0055634200000000, 0.0046243500000000 ] - [ 0.0017328600000000, -0.0120020500000000, 0.0059549200000000 ] - [ 0.0014817500000000, -0.0124541400000000, 0.0059940900000000 ] - [ -0.0010563200000000, -0.0000681000000000, -0.0057178400000000 ] - [ -0.0015871000000000, 0.0014842200000000, -0.0051163900000000 ] - [ -0.0013482100000000, 0.0041778500000000, -0.0033327700000000 ] - [ -0.0016958400000000, 0.0027433100000000, -0.0045948700000000 ] - [ -0.0056065800000000, -0.0043480900000000, -0.0197113900000000 ] - [ -0.0116884100000000, -0.0154179400000000, -0.0256884900000000 ] - [ -0.0106928000000000, -0.0253328400000000, -0.0270707700000000 ] - [ -0.0094600900000000, -0.0195454000000000, -0.0256957100000000 ] - [ 0.0068114400000000, -0.0025154200000000, -0.0155276100000000 ] - [ 0.0097293200000000, -0.0132259500000000, -0.0235197900000000 ] - [ 0.0104349100000000, -0.0225709800000000, -0.0263877000000000 ] - [ 0.0094925100000000, -0.0169136200000000, -0.0241415300000000 ] - [ 0.0413227400000000, -0.0424686900000000, 0.0809875300000000 ] - [ 0.0164293100000000, -0.0274235100000000, 0.0674963100000000 ] - [ -0.0104380700000000, -0.0505026800000000, 0.0543509200000000 ] - [ 0.0238792100000000, -0.0255204200000000, 0.0658949100000000 ] - [ -0.0442034800000000, -0.0440014700000000, 0.0840189600000000 ] - [ -0.0192233300000000, -0.0238875400000000, 0.0689582000000000 ] - [ 0.0060775100000000, -0.0491145900000000, 0.0541507000000000 ] - [ -0.0271819600000000, -0.0225444300000000, 0.0669811800000000 ] - [ -0.0006336400000000, 0.0012257300000000, -0.0408520500000000 ] - [ -0.0128150400000000, 0.0161941600000000, -0.0260846300000000 ] - [ -0.0309871600000000, 0.0065215300000000, -0.0068538000000000 ] - [ -0.0070194300000000, 0.0190185700000000, -0.0244791400000000 ] - [ 0.0011753100000000, -0.0014090300000000, -0.0398175700000000 ] - [ 0.0122545500000000, 0.0138291100000000, -0.0241645400000000 ] - [ 0.0285850900000000, 0.0042280800000000, -0.0043354700000000 ] - [ 0.0058146200000000, 0.0164743100000000, -0.0223521000000000 ] - [ -0.0232437200000000, 0.0297903800000000, 0.0700714000000000 ] - [ -0.0223005600000000, 0.0245464800000000, 0.0687633700000000 ] - [ -0.0212520100000000, 0.0162351400000000, 0.0675802300000000 ] - [ -0.0224393400000000, 0.0212533500000000, 0.0681885300000000 ] - [ 0.0220321700000000, 0.0314857800000000, 0.0689596000000000 ] - [ 0.0193654000000000, 0.0274665100000000, 0.0676361800000000 ] - [ 0.0188140000000000, 0.0208612800000000, 0.0661413200000000 ] - [ 0.0201425900000000, 0.0248323900000000, 0.0667374100000000 ] - [ 0.0036125200000000, -0.0115634400000000, -0.0080819200000000 ] - [ 0.0022354000000000, -0.0038760600000000, -0.0024800200000000 ] - [ 0.0021594400000000, 0.0068585100000000, 0.0023056400000000 ] - [ 0.0032064000000000, -0.0012130800000000, -0.0009997600000000 ] - [ 0.0011005000000000, 0.0466125300000000, -0.0646282600000000 ] - [ 0.0030166400000000, 0.0358689400000000, -0.0606544500000000 ] - [ 0.0015169200000000, 0.0290616200000000, -0.0624791200000000 ] - [ 0.0025506000000000, 0.0347500000000000, -0.0611939400000000 ] - [ 0.0027673100000000, -0.0006171700000000, 0.0036187200000000 ] - [ 0.0023353000000000, 0.0021689100000000, -0.0012315900000000 ] - [ 0.0024149300000000, 0.0081150600000000, -0.0086570700000000 ] - [ 0.0032179700000000, 0.0035878100000000, -0.0033207600000000 ] - [ 0.0014089100000000, -0.0372302900000000, -0.0611769400000000 ] - [ 0.0027253500000000, -0.0355332800000000, -0.0609224400000000 ] - [ 0.0031558100000000, -0.0332930600000000, -0.0609068700000000 ] - [ 0.0027356200000000, -0.0346620900000000, -0.0609547700000000 ] - [ -0.0008997000000000, -0.0013048900000000, -0.0124058300000000 ] - [ -0.0003358000000000, -0.0006418000000000, -0.0117264300000000 ] - [ -0.0006061900000000, 0.0006122600000000, -0.0116478000000000 ] - [ -0.0007208400000000, -0.0002893700000000, -0.0116610300000000 ] - [ 0.0004256700000000, -0.0018623100000000, -0.0129717400000000 ] - [ 0.0002408200000000, -0.0022200400000000, -0.0114663600000000 ] - [ 0.0003465000000000, -0.0014369400000000, -0.0113635100000000 ] - [ 0.0005154600000000, -0.0018370800000000, -0.0114635700000000 ] - [ -0.0020905000000000, 0.0102988500000000, 0.0273760800000000 ] - [ 0.0000982500000000, 0.0131576200000000, 0.0275552200000000 ] - [ 0.0002389100000000, 0.0159055100000000, 0.0276183700000000 ] - [ -0.0000987900000000, 0.0142837600000000, 0.0277035700000000 ] - [ 0.0025116400000000, 0.0104452400000000, 0.0261674500000000 ] - [ -0.0027533100000000, 0.0102398800000000, 0.0263450100000000 ] - [ -0.0017048200000000, 0.0118998500000000, 0.0269849200000000 ] - [ -0.0008521000000000, 0.0120922200000000, 0.0269032300000000 ] - [ 0.0003480900000000, 0.0043967500000000, -0.0063686200000000 ] - [ -0.0018373000000000, -0.0003412600000000, -0.0013819200000000 ] - [ -0.0032388100000000, -0.0083618800000000, 0.0067235400000000 ] - [ -0.0009139300000000, -0.0029635300000000, 0.0006176300000000 ] - [ 0.0011903700000000, -0.0003425000000000, -0.0020358000000000 ] - [ -0.0011370300000000, 0.0033644100000000, -0.0070981200000000 ] - [ 0.0005138500000000, -0.0030515100000000, 0.0001164800000000 ] - [ 0.0030648500000000, -0.0083502500000000, 0.0072724300000000 ] - [ -0.0018801700000000, -0.0082193900000000, -0.0080825400000000 ] - [ 0.0011959600000000, -0.0014188700000000, -0.0002939400000000 ] - [ 0.0014623200000000, 0.0071166500000000, 0.0038154300000000 ] - [ 0.0002796700000000, 0.0002572300000000, 0.0005112000000000 ] - [ 0.0048805000000000, 0.0213773100000000, -0.0611467100000000 ] - [ -0.0076397200000000, 0.0209977000000000, -0.0611737900000000 ] - [ -0.0085676800000000, 0.0247744900000000, -0.0618792800000000 ] - [ 0.0073075800000000, 0.0251902800000000, -0.0619392100000000 ] - [ 0.0032201700000000, 0.0022947400000000, 0.0058067600000000 ] - [ 0.0011866200000000, -0.0025603000000000, 0.0050135400000000 ] - [ -0.0022904900000000, -0.0146539700000000, 0.0019056300000000 ] - [ 0.0019210900000000, -0.0050714500000000, 0.0044191900000000 ] - [ -0.0010764800000000, -0.0009027300000000, 0.0038583900000000 ] - [ -0.0032402200000000, 0.0036029000000000, 0.0045629000000000 ] - [ -0.0015950200000000, -0.0031110500000000, 0.0033732000000000 ] - [ 0.0049618300000000, -0.0101123800000000, -0.0005297800000000 ] - [ 0.0004327300000000, -0.0019889600000000, -0.0103029300000000 ] - [ -0.0000031600000000, -0.0001033300000000, -0.0116290400000000 ] - [ 0.0013535600000000, 0.0060504500000000, -0.0131983100000000 ] - [ -0.0013141500000000, 0.0009247100000000, -0.0118656300000000 ] - [ 0.0004101500000000, -0.0019126200000000, -0.0097966200000000 ] - [ -0.0001658700000000, 0.0014046900000000, -0.0114857300000000 ] - [ -0.0016905600000000, 0.0071984500000000, -0.0127665100000000 ] - [ 0.0012805400000000, 0.0025184000000000, -0.0116411500000000 ] - [ -0.0001957600000000, -0.0097583500000000, 0.0288883200000000 ] - [ 0.0000601400000000, -0.0130791900000000, 0.0274910500000000 ] - [ -0.0003508700000000, -0.0215962800000000, 0.0326539600000000 ] - [ -0.0002524200000000, -0.0144222200000000, 0.0278202200000000 ] - [ 0.0046119300000000, -0.0104994400000000, 0.0277935600000000 ] - [ -0.0069319600000000, -0.0109717500000000, 0.0278420100000000 ] - [ -0.0058325400000000, -0.0104415000000000, 0.0262055700000000 ] - [ 0.0058261900000000, -0.0098925100000000, 0.0258090900000000 ] - [ -0.0026955100000000, -0.0042282700000000, -0.0049147000000000 ] - [ -0.0011656500000000, 0.0001766000000000, -0.0013047700000000 ] - [ -0.0001954500000000, 0.0078279100000000, 0.0023518500000000 ] - [ -0.0016007300000000, 0.0028872500000000, -0.0000565200000000 ] - [ 0.0006863000000000, 0.0002594700000000, -0.0019499900000000 ] - [ 0.0020842900000000, -0.0044438900000000, -0.0060016200000000 ] - [ 0.0009794300000000, 0.0028971300000000, -0.0005427500000000 ] - [ -0.0003358400000000, 0.0078731000000000, 0.0020088200000000 ] - [ 0.0003212500000000, -0.0016715300000000, 0.0041887700000000 ] - [ 0.0009997600000000, 0.0002963000000000, 0.0004530500000000 ] - [ 0.0009122400000000, 0.0053433600000000, -0.0057784200000000 ] - [ 0.0002775000000000, 0.0012788200000000, -0.0010679300000000 ] - [ -0.0005095900000000, -0.0225526000000000, -0.0612624700000000 ] - [ -0.0016941500000000, -0.0224604400000000, -0.0612338300000000 ] - [ -0.0020193900000000, -0.0208234100000000, -0.0610777200000000 ] - [ -0.0011597100000000, -0.0207922200000000, -0.0609806000000000 ] - [ 0.0016860400000000, 0.0011228700000000, 0.0029983600000000 ] - [ 0.0013087600000000, 0.0031303200000000, 0.0047353300000000 ] - [ 0.0010009900000000, 0.0060005400000000, 0.0047650700000000 ] - [ 0.0010614400000000, 0.0045587000000000, 0.0046899500000000 ] - [ -0.0010892500000000, 0.0013879600000000, 0.0034935200000000 ] - [ -0.0017752200000000, 0.0001224300000000, 0.0025957700000000 ] - [ -0.0010739000000000, 0.0026982500000000, 0.0036227400000000 ] - [ -0.0011206600000000, 0.0035174400000000, 0.0035750200000000 ]- atom: 5 displacement: [ 0.0000055737063633, 0.0000000000000000, 0.0099999984466897 ] forces: - [ 0.0009016800000000, 0.0051525700000000, 0.0070244700000000 ] - [ 0.0024531400000000, 0.0052091800000000, 0.0066354300000000 ] - [ 0.0010722100000000, 0.0075451900000000, 0.0069821400000000 ] - [ 0.0023995600000000, 0.0072825800000000, 0.0067521400000000 ] - [ 0.0022258700000000, 0.0020523300000000, -0.0880676000000000 ] - [ -0.0015449000000000, -0.0017441600000000, -0.0058663300000000 ] - [ -0.0013456700000000, -0.0027785900000000, -0.0082483200000000 ] - [ -0.0015624600000000, -0.0022814300000000, -0.0054446500000000 ] - [ 0.0087823500000000, -0.0055063000000000, 0.0008991600000000 ] - [ -0.0034628400000000, -0.0057199400000000, 0.0016401500000000 ] - [ 0.0019494600000000, -0.0069673700000000, 0.0033598900000000 ] - [ 0.0011855300000000, -0.0069343700000000, 0.0033804000000000 ] - [ -0.0015494300000000, 0.0012624500000000, -0.0014174400000000 ] - [ -0.0015851800000000, 0.0018721300000000, -0.0043207800000000 ] - [ -0.0016086000000000, 0.0036794900000000, 0.0014241200000000 ] - [ -0.0016181500000000, 0.0023982400000000, -0.0041238100000000 ] - [ 0.0030969000000000, -0.0146665600000000, -0.0055832500000000 ] - [ -0.0131804700000000, -0.0169893600000000, -0.0247616500000000 ] - [ -0.0089929800000000, -0.0184095500000000, -0.0226847400000000 ] - [ -0.0103006500000000, -0.0178636200000000, -0.0249220300000000 ] - [ -0.0015292200000000, -0.0111338200000000, -0.0036153300000000 ] - [ 0.0120191800000000, -0.0147754700000000, -0.0230417600000000 ] - [ 0.0089822000000000, -0.0161297100000000, -0.0204967700000000 ] - [ 0.0097532000000000, -0.0153052400000000, -0.0230753300000000 ] - [ 0.0290967400000000, -0.0374486300000000, 0.0537137000000000 ] - [ 0.0184832200000000, -0.0271245700000000, 0.0657640100000000 ] - [ 0.0348004400000000, -0.0168498600000000, 0.0578903200000000 ] - [ 0.0188818500000000, -0.0263733100000000, 0.0653586300000000 ] - [ -0.0304583600000000, -0.0380975800000000, 0.0538966900000000 ] - [ -0.0214574800000000, -0.0238616700000000, 0.0672001200000000 ] - [ -0.0350781100000000, -0.0138672800000000, 0.0599779600000000 ] - [ -0.0211998100000000, -0.0232061200000000, 0.0668264600000000 ] - [ -0.0141366900000000, 0.0267066500000000, -0.0224660400000000 ] - [ -0.0081219500000000, 0.0182609100000000, -0.0260923100000000 ] - [ -0.0354930500000000, 0.0003260000000000, -0.0233755700000000 ] - [ -0.0076712300000000, 0.0177172000000000, -0.0261531200000000 ] - [ 0.0133986800000000, 0.0239185900000000, -0.0201548800000000 ] - [ 0.0079188800000000, 0.0154757300000000, -0.0239518600000000 ] - [ 0.0316951700000000, -0.0022302000000000, -0.0191893300000000 ] - [ 0.0067747700000000, 0.0152600200000000, -0.0240237300000000 ] - [ -0.0201581500000000, 0.0245463700000000, 0.0797165500000000 ] - [ -0.0231813600000000, 0.0228240900000000, 0.0698822100000000 ] - [ -0.0212598000000000, 0.0202491800000000, 0.0718033300000000 ] - [ -0.0228002100000000, 0.0223979600000000, 0.0692327900000000 ] - [ 0.0175641400000000, 0.0276964200000000, 0.0783240800000000 ] - [ 0.0208687300000000, 0.0259294800000000, 0.0687681500000000 ] - [ 0.0189803400000000, 0.0244402600000000, 0.0704135700000000 ] - [ 0.0205895400000000, 0.0257415000000000, 0.0679298300000000 ] - [ -0.0043981900000000, -0.0059551700000000, 0.0116385000000000 ] - [ 0.0022262000000000, -0.0025377300000000, -0.0013198800000000 ] - [ 0.0033197800000000, -0.0037341300000000, -0.0025337500000000 ] - [ 0.0025666700000000, -0.0028213200000000, -0.0020103700000000 ] - [ 0.0003866900000000, 0.0395442300000000, -0.0587068600000000 ] - [ 0.0027253200000000, 0.0354504900000000, -0.0604655400000000 ] - [ 0.0020889000000000, 0.0389620700000000, -0.0511092300000000 ] - [ 0.0026061800000000, 0.0351126100000000, -0.0603874800000000 ] - [ 0.0021532600000000, 0.0022750700000000, -0.0045938100000000 ] - [ 0.0029204800000000, 0.0028638600000000, -0.0024216700000000 ] - [ 0.0021613600000000, 0.0063378100000000, -0.0066315800000000 ] - [ 0.0030572000000000, 0.0030759300000000, -0.0027382600000000 ] - [ 0.0026872200000000, -0.0350341000000000, -0.0649421800000000 ] - [ 0.0025991200000000, -0.0349415700000000, -0.0613172600000000 ] - [ 0.0029616600000000, -0.0343375400000000, -0.0617335000000000 ] - [ 0.0025857900000000, -0.0348612200000000, -0.0611681700000000 ] - [ -0.0007900700000000, 0.0013950500000000, -0.0169542800000000 ] - [ -0.0003128300000000, -0.0001245100000000, -0.0126546000000000 ] - [ -0.0005822800000000, -0.0003563900000000, -0.0132791400000000 ] - [ -0.0005444900000000, -0.0004653200000000, -0.0121302000000000 ] - [ 0.0006375200000000, 0.0004685000000000, -0.0173146200000000 ] - [ 0.0000924800000000, -0.0017195300000000, -0.0123910000000000 ] - [ 0.0003163400000000, -0.0017917700000000, -0.0132710700000000 ] - [ 0.0002990000000000, -0.0020117500000000, -0.0119415800000000 ] - [ -0.0017179100000000, 0.0119883900000000, 0.0218575700000000 ] - [ 0.0000769100000000, 0.0133698700000000, 0.0271657500000000 ] - [ -0.0005077700000000, 0.0137629200000000, 0.0268147100000000 ] - [ -0.0001874500000000, 0.0137399800000000, 0.0274551400000000 ] - [ 0.0045738800000000, 0.0116683200000000, 0.0253061800000000 ] - [ -0.0060797400000000, 0.0118959100000000, 0.0253491400000000 ] - [ -0.0002251100000000, 0.0113262100000000, 0.0264120700000000 ] - [ -0.0014683000000000, 0.0113258000000000, 0.0264403400000000 ] - [ -0.0011007800000000, -0.0000248200000000, -0.0016158300000000 ] - [ -0.0016186300000000, -0.0013359300000000, -0.0006097300000000 ] - [ 0.0002744000000000, -0.0049884300000000, 0.0001748500000000 ] - [ -0.0019531300000000, -0.0019177200000000, -0.0002655700000000 ] - [ 0.0010386900000000, -0.0013394200000000, -0.0012080000000000 ] - [ 0.0005198000000000, -0.0003486400000000, -0.0015957200000000 ] - [ 0.0013282900000000, -0.0020666300000000, -0.0007409700000000 ] - [ -0.0009010000000000, -0.0038798600000000, -0.0014946900000000 ] - [ 0.0015377700000000, -0.0011503400000000, 0.0044446700000000 ] - [ 0.0011400700000000, -0.0004814500000000, 0.0004877200000000 ] - [ -0.0000282800000000, -0.0015446200000000, -0.0006593600000000 ] - [ 0.0007288600000000, -0.0007252000000000, -0.0001383900000000 ] - [ 0.0015255300000000, 0.0216713000000000, -0.0581687000000000 ] - [ -0.0033081000000000, 0.0213751200000000, -0.0585653300000000 ] - [ 0.0010547600000000, 0.0209226100000000, -0.0593922100000000 ] - [ -0.0040688600000000, 0.0206366900000000, -0.0591691600000000 ] - [ 0.0016985400000000, -0.0027887000000000, 0.0098702400000000 ] - [ 0.0013997700000000, -0.0033859200000000, 0.0055095400000000 ] - [ 0.0013915700000000, -0.0015342700000000, 0.0171206600000000 ] - [ 0.0018083400000000, -0.0033225600000000, 0.0056373200000000 ] - [ -0.0012376200000000, -0.0016649200000000, 0.0045180200000000 ] - [ -0.0017850100000000, -0.0018194300000000, 0.0080027400000000 ] - [ -0.0017741900000000, -0.0014773200000000, 0.0045673600000000 ] - [ -0.0001988400000000, 0.0010385100000000, 0.0168693000000000 ] - [ -0.0017854500000000, 0.0001087500000000, -0.0046262800000000 ] - [ -0.0009760300000000, 0.0003585900000000, -0.0108468800000000 ] - [ -0.0003592500000000, 0.0035549500000000, -0.0058079900000000 ] - [ -0.0007914400000000, 0.0008501100000000, -0.0106767900000000 ] - [ 0.0018576100000000, 0.0026579500000000, -0.0031624200000000 ] - [ 0.0007947700000000, 0.0018950300000000, -0.0107466100000000 ] - [ -0.0000237000000000, 0.0048577400000000, -0.0064928300000000 ] - [ 0.0006731600000000, 0.0023476900000000, -0.0104999700000000 ] - [ -0.0002181000000000, -0.0159637300000000, 0.0283557400000000 ] - [ -0.0003063300000000, -0.0140844700000000, 0.0279278100000000 ] - [ 0.0010239600000000, -0.0141896200000000, 0.0355871600000000 ] - [ -0.0002413800000000, -0.0141114500000000, 0.0281010000000000 ] - [ -0.0033129900000000, -0.0120533200000000, 0.0266853100000000 ] - [ 0.0014433800000000, -0.0118333900000000, 0.0267120900000000 ] - [ -0.0050272300000000, -0.0103511300000000, 0.0277384500000000 ] - [ 0.0047603800000000, -0.0098700000000000, 0.0276222600000000 ] - [ -0.0046168100000000, 0.0008571700000000, -0.0062701200000000 ] - [ -0.0007351800000000, 0.0012551300000000, -0.0010966700000000 ] - [ -0.0018964100000000, 0.0003240700000000, -0.0006528900000000 ] - [ -0.0011830100000000, 0.0014072600000000, -0.0006779900000000 ] - [ 0.0001396400000000, 0.0013868200000000, -0.0017458300000000 ] - [ 0.0036451600000000, 0.0006907300000000, -0.0066501600000000 ] - [ 0.0005767600000000, 0.0013825800000000, -0.0013136800000000 ] - [ 0.0011665600000000, 0.0002987300000000, -0.0017211000000000 ] - [ 0.0011154400000000, 0.0002254300000000, -0.0020737500000000 ] - [ 0.0004297500000000, 0.0008441900000000, -0.0004976800000000 ] - [ 0.0013102400000000, 0.0037458600000000, -0.0036746200000000 ] - [ 0.0003957700000000, 0.0009282300000000, -0.0006120500000000 ] - [ -0.0027475700000000, -0.0222228500000000, -0.0625580200000000 ] - [ -0.0000821500000000, -0.0222871200000000, -0.0624793700000000 ] - [ -0.0025476100000000, -0.0217182200000000, -0.0619338100000000 ] - [ -0.0005081100000000, -0.0217781400000000, -0.0618272300000000 ] - [ 0.0013301100000000, 0.0034579500000000, -0.0006394200000000 ] - [ 0.0009551800000000, 0.0039421000000000, 0.0038414800000000 ] - [ 0.0008820000000000, 0.0045179900000000, 0.0027736100000000 ] - [ 0.0010512100000000, 0.0042091300000000, 0.0041805500000000 ] - [ -0.0009515000000000, 0.0020812700000000, 0.0025878600000000 ] - [ -0.0014637800000000, 0.0019547800000000, -0.0015947900000000 ] - [ -0.0010777500000000, 0.0023634100000000, 0.0030740000000000 ] - [ -0.0009761300000000, 0.0025609300000000, 0.0019698400000000 ]- atom: 5 displacement: [ -0.0000055737063633, 0.0000000000000000, -0.0099999984466897 ] forces: - [ 0.0025409800000000, 0.0073440200000000, 0.0026782300000000 ] - [ 0.0009996400000000, 0.0072841700000000, 0.0030700500000000 ] - [ 0.0023667500000000, 0.0049774600000000, 0.0027302700000000 ] - [ 0.0010571900000000, 0.0052412900000000, 0.0029576700000000 ] - [ -0.0050972800000000, -0.0065569000000000, 0.0776401600000000 ] - [ -0.0015047000000000, -0.0024252800000000, -0.0039418200000000 ] - [ -0.0016999500000000, -0.0014001700000000, -0.0015449100000000 ] - [ -0.0014871600000000, -0.0018929900000000, -0.0043614100000000 ] - [ -0.0052715300000000, -0.0069763800000000, 0.0088529100000000 ] - [ 0.0068592700000000, -0.0067769900000000, 0.0081003700000000 ] - [ 0.0015005500000000, -0.0055476000000000, 0.0063573100000000 ] - [ 0.0022555900000000, -0.0055776200000000, 0.0063359300000000 ] - [ -0.0014983200000000, 0.0028853000000000, -0.0083895700000000 ] - [ -0.0014660000000000, 0.0022979900000000, -0.0054861900000000 ] - [ -0.0014444400000000, 0.0005410000000000, -0.0112189300000000 ] - [ -0.0014335500000000, 0.0017793000000000, -0.0056832000000000 ] - [ -0.0222244000000000, -0.0208751400000000, -0.0453244000000000 ] - [ -0.0061249500000000, -0.0185272400000000, -0.0262288300000000 ] - [ -0.0103077400000000, -0.0171121000000000, -0.0283272300000000 ] - [ -0.0089937400000000, -0.0176602800000000, -0.0260673200000000 ] - [ 0.0200302500000000, -0.0192382100000000, -0.0433415400000000 ] - [ 0.0066710600000000, -0.0155628500000000, -0.0240594400000000 ] - [ 0.0097019300000000, -0.0142145600000000, -0.0266255900000000 ] - [ 0.0089230900000000, -0.0150403100000000, -0.0240256400000000 ] - [ 0.0109264600000000, -0.0149029500000000, 0.0801350600000000 ] - [ 0.0215519100000000, -0.0252149500000000, 0.0681986300000000 ] - [ 0.0052116100000000, -0.0355302700000000, 0.0759450100000000 ] - [ 0.0211707200000000, -0.0259643100000000, 0.0685995500000000 ] - [ -0.0141262300000000, -0.0079478400000000, 0.0825390800000000 ] - [ -0.0231487600000000, -0.0221523200000000, 0.0693644800000000 ] - [ -0.0095089300000000, -0.0321974600000000, 0.0764534200000000 ] - [ -0.0234140400000000, -0.0228050400000000, 0.0697363300000000 ] - [ -0.0051583500000000, 0.0088511100000000, -0.0284272500000000 ] - [ -0.0111660200000000, 0.0172638700000000, -0.0248846900000000 ] - [ 0.0163776600000000, 0.0353025500000000, -0.0274966300000000 ] - [ -0.0116244500000000, 0.0178048200000000, -0.0248172300000000 ] - [ 0.0052811200000000, 0.0064547100000000, -0.0268476100000000 ] - [ 0.0107489100000000, 0.0148697900000000, -0.0231353200000000 ] - [ -0.0131873100000000, 0.0326947800000000, -0.0278169100000000 ] - [ 0.0119031700000000, 0.0150842100000000, -0.0230590900000000 ] - [ -0.0244788500000000, 0.0214164200000000, 0.0568240100000000 ] - [ -0.0214064900000000, 0.0231855800000000, 0.0666961100000000 ] - [ -0.0233456000000000, 0.0257752500000000, 0.0647672500000000 ] - [ -0.0218003700000000, 0.0236130100000000, 0.0673417000000000 ] - [ 0.0225168100000000, 0.0246034100000000, 0.0556172500000000 ] - [ 0.0191535000000000, 0.0264093600000000, 0.0652063000000000 ] - [ 0.0210642700000000, 0.0279037300000000, 0.0635620800000000 ] - [ 0.0194450200000000, 0.0265964000000000, 0.0660421600000000 ] - [ 0.0092322500000000, 0.0001087400000000, -0.0151467300000000 ] - [ 0.0031469100000000, -0.0029974600000000, -0.0028078100000000 ] - [ 0.0020462100000000, -0.0017767600000000, -0.0015824300000000 ] - [ 0.0028097700000000, -0.0027128800000000, -0.0021204000000000 ] - [ 0.0046668400000000, 0.0306631400000000, -0.0630411200000000 ] - [ 0.0023413300000000, 0.0347670900000000, -0.0613121200000000 ] - [ 0.0029831200000000, 0.0315733000000000, -0.0706031600000000 ] - [ 0.0024578500000000, 0.0351034500000000, -0.0613911700000000 ] - [ 0.0032330900000000, 0.0033026900000000, 0.0004293400000000 ] - [ 0.0024546000000000, 0.0026808600000000, -0.0017196900000000 ] - [ 0.0032248700000000, -0.0008110000000000, 0.0024832100000000 ] - [ 0.0023183700000000, 0.0024629400000000, -0.0013997400000000 ] - [ 0.0023768400000000, -0.0351733500000000, -0.0568104500000000 ] - [ 0.0024683200000000, -0.0352766400000000, -0.0604625100000000 ] - [ 0.0020994400000000, -0.0358780200000000, -0.0600464400000000 ] - [ 0.0024798600000000, -0.0353553400000000, -0.0606116600000000 ] - [ -0.0005413500000000, -0.0023317400000000, -0.0062972100000000 ] - [ -0.0010022300000000, -0.0008250100000000, -0.0105956900000000 ] - [ -0.0007393000000000, -0.0006046800000000, -0.0099662000000000 ] - [ -0.0007724900000000, -0.0004857200000000, -0.0111212900000000 ] - [ 0.0001795200000000, -0.0044793300000000, -0.0056145400000000 ] - [ 0.0007048900000000, -0.0023058200000000, -0.0105382900000000 ] - [ 0.0004879300000000, -0.0022471500000000, -0.0096503700000000 ] - [ 0.0005006200000000, -0.0020168000000000, -0.0109866700000000 ] - [ 0.0011999400000000, 0.0156120100000000, 0.0333387800000000 ] - [ -0.0005800400000000, 0.0142281600000000, 0.0281236100000000 ] - [ 0.0000062700000000, 0.0138410900000000, 0.0284824800000000 ] - [ -0.0003151300000000, 0.0138608600000000, 0.0278352100000000 ] - [ -0.0063932300000000, 0.0108829600000000, 0.0282247200000000 ] - [ 0.0042163200000000, 0.0106552300000000, 0.0281837200000000 ] - [ -0.0016174800000000, 0.0112133400000000, 0.0271240800000000 ] - [ -0.0003661500000000, 0.0112136000000000, 0.0270955200000000 ] - [ -0.0017756800000000, -0.0030421100000000, 0.0004999200000000 ] - [ -0.0012531000000000, -0.0017219000000000, -0.0005156600000000 ] - [ -0.0031298600000000, 0.0018830900000000, -0.0012770000000000 ] - [ -0.0009207300000000, -0.0011460600000000, -0.0008555900000000 ] - [ 0.0005481500000000, -0.0017949500000000, -0.0011721300000000 ] - [ 0.0010729200000000, -0.0027912600000000, -0.0007710100000000 ] - [ 0.0002602400000000, -0.0010738900000000, -0.0016346100000000 ] - [ 0.0024737700000000, 0.0007001400000000, -0.0008561200000000 ] - [ 0.0000458800000000, -0.0005236700000000, -0.0044297400000000 ] - [ 0.0000876200000000, -0.0009872100000000, -0.0009105400000000 ] - [ 0.0012657700000000, 0.0000998900000000, 0.0002537600000000 ] - [ 0.0004971100000000, -0.0007410200000000, -0.0002840100000000 ] - [ -0.0042207300000000, 0.0216729400000000, -0.0637858600000000 ] - [ 0.0006022800000000, 0.0219646500000000, -0.0633913300000000 ] - [ -0.0037792300000000, 0.0224278300000000, -0.0625720000000000 ] - [ 0.0013788900000000, 0.0227116700000000, -0.0627960200000000 ] - [ 0.0007420300000000, -0.0048654400000000, -0.0003688900000000 ] - [ 0.0010461400000000, -0.0042623500000000, 0.0039718600000000 ] - [ 0.0009975200000000, -0.0060426300000000, -0.0076491800000000 ] - [ 0.0006447200000000, -0.0043231500000000, 0.0038426100000000 ] - [ -0.0012420400000000, -0.0023433800000000, 0.0028194600000000 ] - [ -0.0006939300000000, -0.0021998400000000, -0.0006533100000000 ] - [ -0.0007138900000000, -0.0025273800000000, 0.0027673800000000 ] - [ -0.0022058100000000, -0.0049592300000000, -0.0095851500000000 ] - [ 0.0005386000000000, 0.0007208000000000, -0.0186332800000000 ] - [ -0.0003472700000000, 0.0005879700000000, -0.0124030300000000 ] - [ -0.0009669900000000, -0.0026040000000000, -0.0174737300000000 ] - [ -0.0005279200000000, 0.0000986400000000, -0.0125776900000000 ] - [ -0.0011488300000000, 0.0012241400000000, -0.0197749800000000 ] - [ 0.0000112200000000, 0.0021271900000000, -0.0121823100000000 ] - [ 0.0008304800000000, -0.0008277700000000, -0.0164658700000000 ] - [ 0.0001290200000000, 0.0016776000000000, -0.0124318800000000 ] - [ -0.0002902600000000, -0.0116410900000000, 0.0269212200000000 ] - [ -0.0001979600000000, -0.0135167600000000, 0.0273604200000000 ] - [ -0.0015091900000000, -0.0128482100000000, 0.0191674200000000 ] - [ -0.0002611000000000, -0.0134882600000000, 0.0271844500000000 ] - [ 0.0014639900000000, -0.0104964700000000, 0.0268386700000000 ] - [ -0.0032653400000000, -0.0107140500000000, 0.0268118000000000 ] - [ 0.0032029600000000, -0.0121908000000000, 0.0257806500000000 ] - [ -0.0066128000000000, -0.0126706100000000, 0.0258955300000000 ] - [ 0.0017977500000000, 0.0021890000000000, 0.0051733900000000 ] - [ -0.0021371800000000, 0.0018023200000000, -0.0000395400000000 ] - [ -0.0009768300000000, 0.0027207000000000, -0.0004813100000000 ] - [ -0.0016863900000000, 0.0016498000000000, -0.0004530100000000 ] - [ 0.0014482200000000, 0.0017470900000000, -0.0006452300000000 ] - [ -0.0021035600000000, 0.0024261400000000, 0.0042847800000000 ] - [ 0.0010082300000000, 0.0017508900000000, -0.0010717600000000 ] - [ 0.0004215400000000, 0.0028189300000000, -0.0006729200000000 ] - [ 0.0001030000000000, 0.0012756700000000, 0.0016205500000000 ] - [ 0.0007976300000000, 0.0006302800000000, 0.0000655600000000 ] - [ -0.0000906500000000, -0.0022783300000000, 0.0032279000000000 ] - [ 0.0008314900000000, 0.0005433100000000, 0.0001825000000000 ] - [ 0.0000617800000000, -0.0211094300000000, -0.0594083300000000 ] - [ -0.0026484800000000, -0.0210444000000000, -0.0594882400000000 ] - [ -0.0001559500000000, -0.0216251200000000, -0.0600364800000000 ] - [ -0.0022006400000000, -0.0215642200000000, -0.0601439400000000 ] - [ 0.0011259100000000, 0.0041788400000000, 0.0101148000000000 ] - [ 0.0014858200000000, 0.0037068900000000, 0.0056394400000000 ] - [ 0.0015624500000000, 0.0031361200000000, 0.0067145700000000 ] - [ 0.0013916100000000, 0.0034434000000000, 0.0053009000000000 ] - [ -0.0015256300000000, 0.0019286200000000, 0.0047495700000000 ] - [ -0.0010288200000000, 0.0020441400000000, 0.0089332600000000 ] - [ -0.0014002400000000, 0.0016512100000000, 0.0042620600000000 ] - [ -0.0015037700000000, 0.0014535400000000, 0.0053717100000000 ]- atom: 17 displacement: [ 0.0099999993466229, 0.0000000000000000, -0.0000036149054082 ] forces: - [ 0.0081083100000000, 0.0097797500000000, 0.0037545700000000 ] - [ -0.0035697900000000, -0.0239917300000000, 0.0209313200000000 ] - [ 0.0086215400000000, 0.0026042900000000, 0.0034811400000000 ] - [ 0.0033559500000000, 0.0278353400000000, 0.0151041900000000 ] - [ -0.0027071600000000, -0.0061729300000000, 0.0077493900000000 ] - [ 0.0030104600000000, -0.0000372500000000, -0.0084335300000000 ] - [ -0.0037223600000000, -0.0010301700000000, -0.0042413700000000 ] - [ 0.0004724700000000, -0.0022725400000000, -0.0055548600000000 ] - [ 0.0064520500000000, -0.0064857900000000, 0.0065069800000000 ] - [ -0.0031150100000000, -0.0069887300000000, 0.0013786100000000 ] - [ 0.0052632500000000, -0.0059198100000000, 0.0052163200000000 ] - [ -0.0016876100000000, -0.0057935800000000, 0.0041213500000000 ] - [ -0.0032631400000000, 0.0110841700000000, -0.0093931200000000 ] - [ 0.0035456300000000, -0.0010799900000000, -0.0033821800000000 ] - [ -0.0041704000000000, -0.0192447300000000, -0.0307683100000000 ] - [ 0.0028125500000000, 0.0047157700000000, -0.0029258900000000 ] - [ -0.2984276800000000, -0.0111078300000000, -0.0317790000000000 ] - [ 0.0122851200000000, -0.0221841600000000, -0.0259499600000000 ] - [ -0.0170881100000000, -0.0158652200000000, -0.0251604500000000 ] - [ -0.0034338600000000, -0.0186890300000000, -0.0250370700000000 ] - [ 0.0942706500000000, 0.0070205000000000, -0.0126223000000000 ] - [ 0.0944827500000000, 0.0026032500000000, -0.0270587000000000 ] - [ 0.0101440000000000, -0.0148950600000000, -0.0241699300000000 ] - [ 0.0099698200000000, -0.0168887700000000, -0.0227425400000000 ] - [ 0.0017355400000000, -0.0166576100000000, 0.0719941200000000 ] - [ 0.0318204000000000, -0.0239025600000000, 0.0669953900000000 ] - [ 0.0005102000000000, -0.0205366100000000, 0.0510567600000000 ] - [ 0.0288432700000000, -0.0248456900000000, 0.0676335000000000 ] - [ -0.0175704000000000, -0.0090541300000000, 0.0757263000000000 ] - [ -0.0217519600000000, -0.0378234900000000, 0.0591803300000000 ] - [ -0.0236651300000000, -0.0294649500000000, 0.0774786600000000 ] - [ -0.0177038700000000, -0.0160434500000000, 0.0579394400000000 ] - [ -0.0154147000000000, 0.0178619800000000, -0.0241467500000000 ] - [ -0.0044410300000000, 0.0183077000000000, -0.0256829400000000 ] - [ -0.0154146300000000, 0.0167534200000000, -0.0271331500000000 ] - [ -0.0043252100000000, 0.0186893300000000, -0.0255674800000000 ] - [ 0.0108820000000000, 0.0166661800000000, -0.0232983800000000 ] - [ 0.0081040600000000, 0.0137997700000000, -0.0232404200000000 ] - [ 0.0106448200000000, 0.0142263500000000, -0.0243593400000000 ] - [ 0.0085138100000000, 0.0164434100000000, -0.0241010200000000 ] - [ -0.0193211600000000, 0.0251962200000000, 0.0568057600000000 ] - [ -0.0173253400000000, 0.0214814100000000, 0.0806225000000000 ] - [ -0.0219531900000000, 0.0215548700000000, 0.0674824400000000 ] - [ -0.0214469100000000, 0.0225439300000000, 0.0702544500000000 ] - [ -0.0042352700000000, 0.0179026100000000, 0.0661996600000000 ] - [ 0.0299952700000000, 0.0244514300000000, 0.0667312200000000 ] - [ 0.0132798400000000, 0.0262358200000000, 0.0682249900000000 ] - [ 0.0256508400000000, 0.0255562800000000, 0.0666761200000000 ] - [ -0.0019936700000000, -0.0169447400000000, -0.0185733800000000 ] - [ -0.0067710700000000, 0.0086329400000000, 0.0151275700000000 ] - [ 0.0028292900000000, -0.0014698200000000, -0.0018870700000000 ] - [ 0.0020218400000000, -0.0041739200000000, -0.0019314800000000 ] - [ 0.0082061900000000, 0.0323759500000000, -0.0622402400000000 ] - [ -0.0062406300000000, 0.0362089200000000, -0.0604138800000000 ] - [ 0.0130738700000000, 0.0408677800000000, -0.0625163300000000 ] - [ -0.0040760000000000, 0.0339549500000000, -0.0603190600000000 ] - [ 0.0027544900000000, 0.0009699600000000, 0.0001470900000000 ] - [ 0.0020119100000000, 0.0048941000000000, -0.0044696800000000 ] - [ 0.0004858200000000, 0.0047655700000000, 0.0003614600000000 ] - [ 0.0026578300000000, 0.0021105400000000, -0.0025503000000000 ] - [ 0.0111611000000000, -0.0376105200000000, -0.0559802200000000 ] - [ -0.0048115800000000, -0.0345046200000000, -0.0624275700000000 ] - [ 0.0063350400000000, -0.0360593600000000, -0.0604735000000000 ] - [ -0.0011283500000000, -0.0341925900000000, -0.0614315400000000 ] - [ 0.0235400500000000, 0.0052784900000000, -0.0136805800000000 ] - [ -0.0042330400000000, -0.0004901800000000, -0.0110241200000000 ] - [ 0.0033349200000000, 0.0003833500000000, -0.0127516100000000 ] - [ -0.0026953200000000, -0.0007101600000000, -0.0113100000000000 ] - [ -0.0063651900000000, -0.0109721700000000, -0.0017791000000000 ] - [ -0.0089568200000000, 0.0041229900000000, -0.0218335100000000 ] - [ -0.0012301300000000, 0.0003779600000000, -0.0111667700000000 ] - [ -0.0001972300000000, -0.0030233800000000, -0.0123353600000000 ] - [ 0.0462266200000000, -0.0115409900000000, 0.0226569900000000 ] - [ -0.0206467500000000, 0.0107014300000000, 0.0255987000000000 ] - [ 0.0031540000000000, 0.0125457100000000, 0.0273359700000000 ] - [ -0.0035930700000000, 0.0145045100000000, 0.0278221800000000 ] - [ -0.0240345300000000, 0.0094630400000000, 0.0284354700000000 ] - [ 0.0678440700000000, -0.0090562600000000, 0.0216529100000000 ] - [ -0.0050338700000000, 0.0119336400000000, 0.0266344700000000 ] - [ 0.0030811100000000, 0.0098588100000000, 0.0270418500000000 ] - [ -0.0022808000000000, -0.0038080800000000, 0.0007204500000000 ] - [ -0.0024099900000000, 0.0018932900000000, -0.0002466000000000 ] - [ -0.0081401500000000, 0.0094072600000000, -0.0089975000000000 ] - [ -0.0083520700000000, -0.0154327700000000, 0.0079549200000000 ] - [ -0.0011276500000000, -0.0017125600000000, -0.0025294800000000 ] - [ 0.0049026700000000, -0.0021992500000000, 0.0024496700000000 ] - [ -0.0023854300000000, -0.0011907600000000, -0.0024243400000000 ] - [ 0.0221767900000000, 0.0117024900000000, 0.0004960100000000 ] - [ 0.0244769700000000, 0.0100347200000000, 0.0213605300000000 ] - [ -0.0024302300000000, -0.0003879700000000, -0.0011215000000000 ] - [ 0.0025855300000000, -0.0025627600000000, 0.0000420200000000 ] - [ -0.0006548000000000, -0.0008973900000000, -0.0008733700000000 ] - [ -0.0099855500000000, 0.0197564000000000, -0.0621281300000000 ] - [ 0.0084219200000000, 0.0242437900000000, -0.0586265800000000 ] - [ -0.0065606900000000, 0.0220519100000000, -0.0617385800000000 ] - [ 0.0025235600000000, 0.0205688000000000, -0.0594155200000000 ] - [ 0.0000021000000000, -0.0063600200000000, 0.0020774000000000 ] - [ 0.0019887900000000, -0.0016082100000000, 0.0070716200000000 ] - [ 0.0003126600000000, -0.0029204800000000, 0.0034061000000000 ] - [ 0.0012402200000000, -0.0044609400000000, 0.0067639400000000 ] - [ -0.0034466000000000, -0.0014859800000000, 0.0044479200000000 ] - [ 0.0015485100000000, -0.0041229100000000, 0.0010428900000000 ] - [ -0.0033754600000000, -0.0016882000000000, 0.0041024900000000 ] - [ 0.0017949300000000, -0.0006954400000000, 0.0052026400000000 ] - [ 0.0019229300000000, -0.0006913300000000, -0.0138251200000000 ] - [ -0.0027309900000000, 0.0008916500000000, -0.0111488700000000 ] - [ 0.0014636200000000, -0.0004926000000000, -0.0094588100000000 ] - [ -0.0023536600000000, 0.0005007200000000, -0.0112077900000000 ] - [ -0.0005364300000000, 0.0008219400000000, -0.0137124700000000 ] - [ 0.0007732400000000, 0.0028916600000000, -0.0094869700000000 ] - [ -0.0000933100000000, 0.0026625700000000, -0.0123468300000000 ] - [ 0.0005473600000000, 0.0012115200000000, -0.0099752200000000 ] - [ 0.0019773700000000, -0.0136501000000000, 0.0272402500000000 ] - [ -0.0027006800000000, -0.0140552300000000, 0.0279076600000000 ] - [ 0.0025413600000000, -0.0124743100000000, 0.0270852900000000 ] - [ -0.0025284400000000, -0.0148794500000000, 0.0283260900000000 ] - [ -0.0048669700000000, -0.0117383800000000, 0.0266504900000000 ] - [ 0.0033046500000000, -0.0106089000000000, 0.0267804200000000 ] - [ -0.0049125000000000, -0.0114733900000000, 0.0268285600000000 ] - [ 0.0026734300000000, -0.0111017000000000, 0.0269108200000000 ] - [ -0.0025601700000000, 0.0028478900000000, 0.0015935400000000 ] - [ -0.0009259400000000, 0.0001201600000000, -0.0024687600000000 ] - [ -0.0020714100000000, 0.0010878200000000, -0.0005886000000000 ] - [ -0.0009562000000000, 0.0019280500000000, -0.0006453600000000 ] - [ -0.0008262300000000, 0.0015688900000000, -0.0020579400000000 ] - [ 0.0032110400000000, 0.0023492700000000, 0.0005062800000000 ] - [ -0.0003311300000000, 0.0016857900000000, -0.0016459300000000 ] - [ 0.0020662500000000, 0.0008624700000000, -0.0012711500000000 ] - [ 0.0027145000000000, 0.0017590500000000, 0.0008866300000000 ] - [ -0.0008416700000000, 0.0008513100000000, -0.0008234500000000 ] - [ 0.0032580700000000, 0.0012480000000000, 0.0016833800000000 ] - [ -0.0006107100000000, 0.0005086800000000, -0.0008146300000000 ] - [ -0.0077675800000000, -0.0212742200000000, -0.0593145600000000 ] - [ 0.0058781500000000, -0.0231081600000000, -0.0672613400000000 ] - [ -0.0045875400000000, -0.0206534400000000, -0.0602627800000000 ] - [ 0.0017504900000000, -0.0237940000000000, -0.0629509400000000 ] - [ -0.0060110500000000, 0.0047554600000000, 0.0124922800000000 ] - [ -0.0056822700000000, 0.0009097400000000, -0.0041183900000000 ] - [ 0.0008807000000000, 0.0029132400000000, 0.0053437100000000 ] - [ -0.0013204700000000, 0.0068258500000000, 0.0033072700000000 ] - [ -0.0047267200000000, 0.0014960600000000, 0.0040389600000000 ] - [ 0.0209376000000000, 0.0046046300000000, -0.0022584000000000 ] - [ -0.0035571300000000, 0.0011360000000000, 0.0041960700000000 ] - [ 0.0030415800000000, 0.0038920200000000, 0.0026133800000000 ]- atom: 17 displacement: [ -0.0099999993466229, 0.0000000000000000, 0.0000036149054082 ] forces: - [ -0.0046673500000000, 0.0027168600000000, 0.0059593300000000 ] - [ 0.0070192600000000, 0.0362642900000000, -0.0111312900000000 ] - [ -0.0051800900000000, 0.0099047300000000, 0.0062397100000000 ] - [ 0.0001126700000000, -0.0151501500000000, -0.0053276600000000 ] - [ -0.0002977300000000, 0.0019610900000000, -0.0175639100000000 ] - [ -0.0060513200000000, -0.0041438400000000, -0.0013786400000000 ] - [ 0.0006811400000000, -0.0031282100000000, -0.0055616100000000 ] - [ -0.0035193800000000, -0.0018974300000000, -0.0042512800000000 ] - [ -0.0030077400000000, -0.0060228000000000, 0.0032061400000000 ] - [ 0.0065393700000000, -0.0055276400000000, 0.0083463800000000 ] - [ -0.0018163300000000, -0.0065771700000000, 0.0044993100000000 ] - [ 0.0051241400000000, -0.0066987800000000, 0.0055957400000000 ] - [ 0.0002431100000000, -0.0068967500000000, -0.0004215700000000 ] - [ -0.0065949500000000, 0.0052575500000000, -0.0064250100000000 ] - [ 0.0010776000000000, 0.0235724200000000, 0.0210917500000000 ] - [ -0.0058481500000000, -0.0005306400000000, -0.0068814100000000 ] - [ 0.2777483900000000, -0.0249448700000000, -0.0197810900000000 ] - [ -0.0315820800000000, -0.0133347800000000, -0.0250357400000000 ] - [ -0.0022131700000000, -0.0196304200000000, -0.0258438200000000 ] - [ -0.0158644700000000, -0.0168307000000000, -0.0259543500000000 ] - [ -0.0759435900000000, -0.0373458500000000, -0.0344483400000000 ] - [ -0.0754689800000000, -0.0329336100000000, -0.0200041600000000 ] - [ 0.0085442400000000, -0.0154456200000000, -0.0229440800000000 ] - [ 0.0087093900000000, -0.0134542600000000, -0.0243693200000000 ] - [ 0.0383135700000000, -0.0354733400000000, 0.0621226100000000 ] - [ 0.0082111300000000, -0.0284345700000000, 0.0669772400000000 ] - [ 0.0395330200000000, -0.0318477200000000, 0.0829555100000000 ] - [ 0.0111915900000000, -0.0274914900000000, 0.0663346200000000 ] - [ -0.0269667000000000, -0.0369832900000000, 0.0608402200000000 ] - [ -0.0228626600000000, -0.0081773200000000, 0.0773890700000000 ] - [ -0.0209726900000000, -0.0165202800000000, 0.0590859600000000 ] - [ -0.0268800900000000, -0.0299400800000000, 0.0786191500000000 ] - [ -0.0038830200000000, 0.0176550900000000, -0.0268073900000000 ] - [ -0.0148558800000000, 0.0172131500000000, -0.0252965700000000 ] - [ -0.0038850000000000, 0.0187716800000000, -0.0238246300000000 ] - [ -0.0149713900000000, 0.0168337000000000, -0.0254178000000000 ] - [ 0.0078045900000000, 0.0136853000000000, -0.0238029500000000 ] - [ 0.0105752600000000, 0.0165491100000000, -0.0238582200000000 ] - [ 0.0080382700000000, 0.0161182500000000, -0.0227497200000000 ] - [ 0.0101687800000000, 0.0139104800000000, -0.0230079400000000 ] - [ -0.0252793900000000, 0.0207936000000000, 0.0797916600000000 ] - [ -0.0272373700000000, 0.0244983900000000, 0.0559855400000000 ] - [ -0.0226391600000000, 0.0244542100000000, 0.0690967700000000 ] - [ -0.0231439800000000, 0.0234659800000000, 0.0663248500000000 ] - [ 0.0442310700000000, 0.0343683000000000, 0.0676318700000000 ] - [ 0.0100395500000000, 0.0278858400000000, 0.0672389300000000 ] - [ 0.0267418500000000, 0.0261174300000000, 0.0657449700000000 ] - [ 0.0143809000000000, 0.0267854800000000, 0.0672976700000000 ] - [ 0.0073821100000000, 0.0113901400000000, 0.0144240900000000 ] - [ 0.0121140700000000, -0.0141914300000000, -0.0192989300000000 ] - [ 0.0025423400000000, -0.0040790700000000, -0.0022433600000000 ] - [ 0.0033487500000000, -0.0013722200000000, -0.0021985600000000 ] - [ -0.0032068200000000, 0.0378423500000000, -0.0595416600000000 ] - [ 0.0113187100000000, 0.0340110000000000, -0.0613623000000000 ] - [ -0.0080197300000000, 0.0292943300000000, -0.0592246700000000 ] - [ 0.0091390500000000, 0.0362632600000000, -0.0614499400000000 ] - [ 0.0026134000000000, 0.0045792000000000, -0.0042788200000000 ] - [ 0.0033582200000000, 0.0006572300000000, 0.0003323700000000 ] - [ 0.0048952000000000, 0.0007692600000000, -0.0045009300000000 ] - [ 0.0027148700000000, 0.0034263900000000, -0.0015810600000000 ] - [ -0.0061298300000000, -0.0325777000000000, -0.0658098400000000 ] - [ 0.0098710600000000, -0.0357139900000000, -0.0593477000000000 ] - [ -0.0012663900000000, -0.0341676700000000, -0.0612990600000000 ] - [ 0.0061950800000000, -0.0360295400000000, -0.0603435600000000 ] - [ -0.0246838800000000, -0.0057731800000000, -0.0101575300000000 ] - [ 0.0029112500000000, -0.0004647300000000, -0.0122246900000000 ] - [ -0.0046554700000000, -0.0013427200000000, -0.0104941200000000 ] - [ 0.0013747900000000, -0.0002436400000000, -0.0119430200000000 ] - [ 0.0072077100000000, 0.0069490200000000, -0.0211416000000000 ] - [ 0.0097481800000000, -0.0081537500000000, -0.0010793900000000 ] - [ 0.0020351000000000, -0.0044107500000000, -0.0117658300000000 ] - [ 0.0010001400000000, -0.0010082400000000, -0.0105967400000000 ] - [ -0.0538641900000000, 0.0416689400000000, 0.0335850200000000 ] - [ 0.0201651500000000, 0.0168890900000000, 0.0296831900000000 ] - [ -0.0036617200000000, 0.0150473800000000, 0.0279486400000000 ] - [ 0.0030905700000000, 0.0130936000000000, 0.0274633500000000 ] - [ 0.0221939900000000, 0.0130848900000000, 0.0250900900000000 ] - [ -0.0615609100000000, 0.0294590700000000, 0.0318239100000000 ] - [ 0.0031972200000000, 0.0106077400000000, 0.0268944300000000 ] - [ -0.0049097900000000, 0.0126745500000000, 0.0264887200000000 ] - [ -0.0005929100000000, 0.0007498800000000, -0.0018388400000000 ] - [ -0.0004592100000000, -0.0049559200000000, -0.0008740400000000 ] - [ 0.0052943200000000, -0.0124377400000000, 0.0078479600000000 ] - [ 0.0054585000000000, 0.0123688600000000, -0.0090723200000000 ] - [ 0.0027129200000000, -0.0014252000000000, 0.0001504900000000 ] - [ -0.0033086300000000, -0.0009675300000000, -0.0048242300000000 ] - [ 0.0039722400000000, -0.0019388300000000, 0.0000361900000000 ] - [ -0.0208666700000000, -0.0152719900000000, -0.0027547400000000 ] - [ -0.0228191000000000, -0.0112689800000000, -0.0213723600000000 ] - [ 0.0036516100000000, -0.0010796900000000, 0.0006953500000000 ] - [ -0.0013584800000000, 0.0010981000000000, -0.0004640800000000 ] - [ 0.0018825000000000, -0.0005739600000000, 0.0004513700000000 ] - [ 0.0072692200000000, 0.0235882400000000, -0.0598396200000000 ] - [ -0.0110355600000000, 0.0190703300000000, -0.0633533900000000 ] - [ 0.0038546000000000, 0.0212837400000000, -0.0602235600000000 ] - [ -0.0052370800000000, 0.0227626700000000, -0.0625337800000000 ] - [ 0.0024286100000000, -0.0013014300000000, 0.0073937900000000 ] - [ 0.0004559600000000, -0.0060539400000000, 0.0023993200000000 ] - [ 0.0021297500000000, -0.0047307600000000, 0.0060817900000000 ] - [ 0.0012024600000000, -0.0031915800000000, 0.0027245100000000 ] - [ 0.0009683300000000, -0.0025301700000000, 0.0028822200000000 ] - [ -0.0040154200000000, 0.0000853700000000, 0.0062567400000000 ] - [ 0.0008960800000000, -0.0023220200000000, 0.0032357000000000 ] - [ -0.0042745200000000, -0.0033079400000000, 0.0021176800000000 ] - [ -0.0032453500000000, 0.0016368500000000, -0.0094502600000000 ] - [ 0.0014097700000000, 0.0000618000000000, -0.0121064500000000 ] - [ -0.0027897800000000, 0.0014491900000000, -0.0138133800000000 ] - [ 0.0010324100000000, 0.0004487000000000, -0.0120468200000000 ] - [ 0.0013341800000000, 0.0032054500000000, -0.0092201600000000 ] - [ 0.0000330800000000, 0.0011355800000000, -0.0134482700000000 ] - [ 0.0008991200000000, 0.0013583600000000, -0.0105820100000000 ] - [ 0.0002575200000000, 0.0028108400000000, -0.0129560500000000 ] - [ -0.0024812300000000, -0.0139477600000000, 0.0280401800000000 ] - [ 0.0021979200000000, -0.0135433900000000, 0.0273743700000000 ] - [ -0.0030434600000000, -0.0151209700000000, 0.0281987900000000 ] - [ 0.0020247800000000, -0.0127202000000000, 0.0269584900000000 ] - [ 0.0030283500000000, -0.0108042400000000, 0.0268765100000000 ] - [ -0.0051362500000000, -0.0119332100000000, 0.0267431900000000 ] - [ 0.0030761800000000, -0.0110701600000000, 0.0266992200000000 ] - [ -0.0045066400000000, -0.0114428500000000, 0.0266148000000000 ] - [ -0.0003107000000000, 0.0002108900000000, -0.0027204300000000 ] - [ -0.0019445300000000, 0.0029357900000000, 0.0013354700000000 ] - [ -0.0007995800000000, 0.0019657500000000, -0.0005425100000000 ] - [ -0.0019134100000000, 0.0011267400000000, -0.0004865100000000 ] - [ 0.0024093500000000, 0.0015675600000000, -0.0003259200000000 ] - [ -0.0016210100000000, 0.0007897900000000, -0.0028947600000000 ] - [ 0.0019148600000000, 0.0014478100000000, -0.0007408200000000 ] - [ -0.0004805200000000, 0.0022678600000000, -0.0011196800000000 ] - [ -0.0014847000000000, -0.0002708100000000, -0.0013382600000000 ] - [ 0.0020682400000000, 0.0006209000000000, 0.0003979200000000 ] - [ -0.0020324900000000, 0.0002140800000000, -0.0021224300000000 ] - [ 0.0018376200000000, 0.0009613700000000, 0.0003900200000000 ] - [ 0.0050606800000000, -0.0220654300000000, -0.0626530900000000 ] - [ -0.0085517900000000, -0.0202195800000000, -0.0547251900000000 ] - [ 0.0018813900000000, -0.0226896700000000, -0.0617063700000000 ] - [ -0.0044550600000000, -0.0195579800000000, -0.0590248600000000 ] - [ 0.0084575600000000, 0.0028970200000000, -0.0030044800000000 ] - [ 0.0080847700000000, 0.0067385600000000, 0.0135832700000000 ] - [ 0.0015588700000000, 0.0047379800000000, 0.0041386700000000 ] - [ 0.0037661800000000, 0.0008181300000000, 0.0061810400000000 ] - [ 0.0022488500000000, 0.0025175200000000, 0.0033019800000000 ] - [ -0.0234163500000000, -0.0007814900000000, 0.0090616700000000 ] - [ 0.0010791300000000, 0.0028766000000000, 0.0031422800000000 ] - [ -0.0055118600000000, 0.0001169500000000, 0.0047317000000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0019692400000000, 0.0060601100000000, 0.0049803400000000 ] - [ -0.0253066600000000, 0.0313792100000000, -0.0054796700000000 ] - [ -0.0003594200000000, 0.0070817100000000, 0.0060637000000000 ] - [ 0.0263447900000000, 0.0246452200000000, 0.0191537400000000 ] - [ 0.0045344600000000, -0.0155701700000000, -0.0017769800000000 ] - [ -0.0024496400000000, -0.0044374300000000, -0.0041336600000000 ] - [ -0.0018809500000000, 0.0055061800000000, -0.0055607900000000 ] - [ -0.0015843400000000, -0.0002925100000000, -0.0050103100000000 ] - [ 0.0011382600000000, -0.0080112500000000, 0.0045267600000000 ] - [ 0.0015442400000000, -0.0125657400000000, 0.0074406000000000 ] - [ 0.0010778600000000, -0.0041876900000000, 0.0041726600000000 ] - [ 0.0026921300000000, -0.0004341200000000, 0.0031152900000000 ] - [ 0.0155314000000000, 0.0186265500000000, -0.0138267100000000 ] - [ -0.0034491600000000, 0.0036574300000000, -0.0054057600000000 ] - [ -0.0173801000000000, 0.0133475700000000, 0.0126718500000000 ] - [ -0.0010901900000000, 0.0008196700000000, -0.0048644700000000 ] - [ -0.0030110200000000, -0.3126553600000000, -0.0290495500000000 ] - [ -0.0140648000000000, -0.0181893400000000, -0.0251046600000000 ] - [ -0.0077717000000000, 0.0048634400000000, -0.0236673300000000 ] - [ -0.0105765300000000, -0.0162988300000000, -0.0253478300000000 ] - [ -0.0127122900000000, -0.0310917000000000, -0.0258078700000000 ] - [ -0.0115488900000000, -0.0291314200000000, -0.0218226200000000 ] - [ 0.0095138600000000, -0.0098852400000000, -0.0212356400000000 ] - [ 0.0098705200000000, -0.0094521900000000, -0.0232915000000000 ] - [ 0.0188334700000000, 0.0109239900000000, 0.0943564700000000 ] - [ 0.0179036500000000, -0.0264536700000000, 0.0668352600000000 ] - [ 0.0027330300000000, 0.0072346300000000, 0.0006335100000000 ] - [ 0.0183299100000000, -0.0266897100000000, 0.0671016000000000 ] - [ -0.0139982500000000, -0.0281064800000000, 0.0665379300000000 ] - [ -0.0291038200000000, -0.0183210800000000, 0.0704863300000000 ] - [ -0.0374637800000000, -0.0173282700000000, 0.0669927900000000 ] - [ -0.0133507900000000, -0.0243779200000000, 0.0686166900000000 ] - [ -0.0097562300000000, 0.0217216700000000, -0.0239523000000000 ] - [ -0.0101948600000000, 0.0182660500000000, -0.0252097000000000 ] - [ -0.0086411900000000, 0.0134284900000000, -0.0319072600000000 ] - [ -0.0105772100000000, 0.0168364400000000, -0.0264039800000000 ] - [ 0.0108559700000000, 0.0162310200000000, -0.0231458500000000 ] - [ 0.0081646700000000, 0.0168613200000000, -0.0230672400000000 ] - [ 0.0076591600000000, 0.0129855800000000, -0.0259016700000000 ] - [ 0.0109994200000000, 0.0133719500000000, -0.0248916500000000 ] - [ -0.0197334700000000, 0.0188397200000000, 0.0694010500000000 ] - [ -0.0262133000000000, 0.0182081700000000, 0.0656037000000000 ] - [ -0.0219447100000000, 0.0263990100000000, 0.0684461000000000 ] - [ -0.0207698600000000, 0.0266681100000000, 0.0681447800000000 ] - [ 0.0119339200000000, -0.0297090400000000, 0.0396592800000000 ] - [ 0.0180231400000000, 0.0257474400000000, 0.0669029400000000 ] - [ 0.0194179700000000, 0.0350126600000000, 0.0678370500000000 ] - [ 0.0194368000000000, 0.0267970200000000, 0.0671431200000000 ] - [ 0.0021294600000000, 0.0050380000000000, 0.0045035600000000 ] - [ 0.0056553200000000, -0.0035254200000000, -0.0054548600000000 ] - [ 0.0034389500000000, -0.0076514000000000, -0.0045373100000000 ] - [ 0.0019334300000000, -0.0046960700000000, -0.0032044500000000 ] - [ -0.0095474100000000, 0.0298844700000000, -0.0635370600000000 ] - [ 0.0059355400000000, 0.0341313300000000, -0.0613342500000000 ] - [ 0.0226926500000000, 0.0364399500000000, -0.0543786200000000 ] - [ 0.0012300600000000, 0.0361721700000000, -0.0606602600000000 ] - [ 0.0012301000000000, 0.0049827300000000, -0.0009571000000000 ] - [ 0.0031868800000000, 0.0027860000000000, -0.0016527500000000 ] - [ 0.0040562000000000, 0.0008157300000000, -0.0030338500000000 ] - [ 0.0022778100000000, 0.0021939000000000, -0.0016564800000000 ] - [ -0.0001393300000000, -0.0262575000000000, -0.0606550900000000 ] - [ 0.0050540300000000, -0.0339844600000000, -0.0607972800000000 ] - [ 0.0025883500000000, -0.0390061100000000, -0.0599383400000000 ] - [ 0.0025868500000000, -0.0359897500000000, -0.0606318000000000 ] - [ 0.0089623100000000, 0.0581432700000000, -0.0249948800000000 ] - [ 0.0000417100000000, -0.0001863300000000, -0.0119579100000000 ] - [ -0.0007305800000000, -0.0100073700000000, -0.0128299700000000 ] - [ -0.0003177100000000, -0.0006582900000000, -0.0117134200000000 ] - [ -0.0010001900000000, 0.0035400100000000, -0.0147820700000000 ] - [ 0.0050327200000000, -0.0012087600000000, -0.0089571100000000 ] - [ 0.0015987400000000, -0.0042627500000000, -0.0115316300000000 ] - [ -0.0019040600000000, -0.0044714600000000, -0.0113227200000000 ] - [ -0.0159473200000000, 0.0370960700000000, 0.0297091300000000 ] - [ 0.0046899300000000, 0.0158773500000000, 0.0284227600000000 ] - [ -0.0009714000000000, 0.0094349400000000, 0.0261308800000000 ] - [ -0.0001045600000000, 0.0127888600000000, 0.0273980800000000 ] - [ 0.0041188000000000, 0.0123898500000000, 0.0262724400000000 ] - [ -0.0023493600000000, 0.0333169700000000, 0.0275653600000000 ] - [ 0.0000728800000000, 0.0105848800000000, 0.0266388800000000 ] - [ -0.0016724300000000, 0.0064490300000000, 0.0272038500000000 ] - [ -0.0020796100000000, -0.0032945800000000, 0.0007496900000000 ] - [ 0.0006136500000000, -0.0051704800000000, -0.0012684400000000 ] - [ 0.0017250200000000, -0.0009512900000000, -0.0020602200000000 ] - [ -0.0052745600000000, 0.0057670800000000, -0.0017368300000000 ] - [ 0.0010244600000000, -0.0023044700000000, -0.0004237500000000 ] - [ -0.0002777900000000, -0.0144823600000000, -0.0009306800000000 ] - [ 0.0015502000000000, -0.0006812800000000, -0.0018871700000000 ] - [ 0.0278100000000000, 0.0660859600000000, 0.0000134100000000 ] - [ 0.0148330400000000, 0.0421278000000000, 0.0517752500000000 ] - [ 0.0011180300000000, -0.0002068100000000, 0.0001691800000000 ] - [ 0.0014346800000000, -0.0131737700000000, -0.0047411100000000 ] - [ 0.0008545000000000, -0.0014344400000000, -0.0005390300000000 ] - [ -0.0017002900000000, 0.0228107000000000, -0.0611285600000000 ] - [ 0.0052267000000000, 0.0193821200000000, -0.0647107300000000 ] - [ 0.0026506900000000, 0.0205659600000000, -0.0601418700000000 ] - [ -0.0111675600000000, 0.0168191800000000, -0.0558611300000000 ] - [ 0.0002826000000000, -0.0051219400000000, 0.0043765100000000 ] - [ 0.0013839900000000, -0.0059554400000000, 0.0035550700000000 ] - [ 0.0022943000000000, -0.0013332100000000, 0.0066867900000000 ] - [ 0.0005639700000000, -0.0022197000000000, 0.0055021200000000 ] - [ -0.0007407500000000, -0.0026769600000000, 0.0032713100000000 ] - [ -0.0002124900000000, -0.0079408800000000, -0.0017759800000000 ] - [ -0.0010150900000000, -0.0014121800000000, 0.0040992900000000 ] - [ -0.0019226300000000, 0.0060442800000000, 0.0133300300000000 ] - [ -0.0009043100000000, -0.0002782400000000, -0.0167893400000000 ] - [ -0.0004377200000000, 0.0005923700000000, -0.0118831500000000 ] - [ -0.0005683800000000, -0.0029420000000000, -0.0014032500000000 ] - [ -0.0002415700000000, 0.0003536600000000, -0.0111376000000000 ] - [ -0.0002089300000000, 0.0024405900000000, -0.0117630700000000 ] - [ 0.0010097800000000, 0.0022097900000000, -0.0124072500000000 ] - [ 0.0015014000000000, 0.0008777900000000, -0.0089652800000000 ] - [ -0.0006197000000000, 0.0018665300000000, -0.0106428600000000 ] - [ -0.0018950200000000, -0.0148233700000000, 0.0275493900000000 ] - [ 0.0004429100000000, -0.0141834800000000, 0.0276572700000000 ] - [ 0.0011958000000000, -0.0122359900000000, 0.0284553500000000 ] - [ -0.0002777300000000, -0.0131922700000000, 0.0276828600000000 ] - [ -0.0011463400000000, -0.0112628800000000, 0.0267941400000000 ] - [ 0.0001898500000000, -0.0115415100000000, 0.0265222700000000 ] - [ 0.0003281600000000, -0.0109941600000000, 0.0270380500000000 ] - [ -0.0030429000000000, -0.0108655700000000, 0.0273751100000000 ] - [ -0.0017773400000000, 0.0032402000000000, 0.0010487500000000 ] - [ -0.0012913500000000, 0.0035461300000000, 0.0007877200000000 ] - [ -0.0015703100000000, 0.0003524000000000, -0.0011217800000000 ] - [ -0.0017556400000000, 0.0001326300000000, -0.0009700100000000 ] - [ 0.0010152200000000, 0.0022707200000000, -0.0004732300000000 ] - [ 0.0026297900000000, 0.0087959200000000, 0.0056001400000000 ] - [ 0.0009755400000000, 0.0010406400000000, -0.0013757500000000 ] - [ 0.0009830100000000, -0.0017786400000000, -0.0029608800000000 ] - [ 0.0009208500000000, 0.0047818900000000, 0.0053564700000000 ] - [ 0.0008335000000000, 0.0007765600000000, -0.0002086700000000 ] - [ 0.0004402700000000, -0.0025520400000000, -0.0002092500000000 ] - [ 0.0008221200000000, 0.0005994200000000, 0.0001271400000000 ] - [ -0.0007761000000000, -0.0210662100000000, -0.0612077400000000 ] - [ 0.0032420900000000, -0.0136448600000000, -0.0538977300000000 ] - [ -0.0010307600000000, -0.0224348200000000, -0.0612688700000000 ] - [ -0.0017017900000000, -0.0258630200000000, -0.0635738800000000 ] - [ 0.0040093500000000, 0.0058856700000000, 0.0024739200000000 ] - [ -0.0004614600000000, 0.0091369200000000, 0.0055695800000000 ] - [ -0.0004806800000000, 0.0014744000000000, 0.0042507800000000 ] - [ 0.0041615800000000, -0.0011151600000000, 0.0060700400000000 ] - [ -0.0004610300000000, 0.0026511700000000, 0.0033996300000000 ] - [ 0.0030629800000000, 0.0334320000000000, -0.0101519000000000 ] - [ -0.0009639100000000, 0.0016458900000000, 0.0035345500000000 ] - [ -0.0025293900000000, -0.0070633500000000, 0.0045108300000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0014860900000000, 0.0064596100000000, 0.0047345700000000 ] - [ 0.0289387000000000, -0.0190139100000000, 0.0153519000000000 ] - [ 0.0038008800000000, 0.0054246600000000, 0.0036554600000000 ] - [ -0.0225548400000000, -0.0119282700000000, -0.0092538400000000 ] - [ -0.0075158000000000, 0.0113166600000000, -0.0079778500000000 ] - [ -0.0006030100000000, 0.0002528300000000, -0.0056724800000000 ] - [ -0.0011779300000000, -0.0096328500000000, -0.0042633400000000 ] - [ -0.0014615000000000, -0.0038672400000000, -0.0048067100000000 ] - [ 0.0023118100000000, -0.0045061700000000, 0.0051902900000000 ] - [ 0.0018904400000000, 0.0000209100000000, 0.0023077100000000 ] - [ 0.0023700100000000, -0.0083088700000000, 0.0055435900000000 ] - [ 0.0007613700000000, -0.0120414900000000, 0.0065894600000000 ] - [ -0.0185494400000000, -0.0144010300000000, 0.0040479300000000 ] - [ 0.0003971200000000, 0.0005218900000000, -0.0044104400000000 ] - [ 0.0141208900000000, -0.0090984600000000, -0.0223222900000000 ] - [ -0.0019524300000000, 0.0033437000000000, -0.0049505100000000 ] - [ -0.0166814900000000, 0.2759963200000000, -0.0208440800000000 ] - [ -0.0052148400000000, -0.0173384300000000, -0.0258741900000000 ] - [ -0.0115368500000000, -0.0403019900000000, -0.0272791300000000 ] - [ -0.0087180200000000, -0.0192149700000000, -0.0256398600000000 ] - [ 0.0314752600000000, 0.0007260300000000, -0.0212772600000000 ] - [ 0.0300270600000000, -0.0012584400000000, -0.0252507000000000 ] - [ 0.0091376400000000, -0.0204347600000000, -0.0258577600000000 ] - [ 0.0088436900000000, -0.0208563000000000, -0.0238110500000000 ] - [ 0.0211231200000000, -0.0629938900000000, 0.0395711200000000 ] - [ 0.0221242300000000, -0.0258799800000000, 0.0671348300000000 ] - [ 0.0371869000000000, -0.0592499300000000, 0.1326431900000000 ] - [ 0.0217072500000000, -0.0256517000000000, 0.0668660100000000 ] - [ -0.0305574800000000, -0.0179303800000000, 0.0700232600000000 ] - [ -0.0155242600000000, -0.0276410000000000, 0.0660876700000000 ] - [ -0.0072310300000000, -0.0286709300000000, 0.0695661600000000 ] - [ -0.0311984900000000, -0.0216489700000000, 0.0679491100000000 ] - [ -0.0095488900000000, 0.0138358400000000, -0.0270227800000000 ] - [ -0.0090989400000000, 0.0172593500000000, -0.0257697600000000 ] - [ -0.0106536400000000, 0.0220614000000000, -0.0190946200000000 ] - [ -0.0087193700000000, 0.0186816400000000, -0.0245818500000000 ] - [ 0.0078308800000000, 0.0141202700000000, -0.0239402100000000 ] - [ 0.0105055800000000, 0.0134915900000000, -0.0240187900000000 ] - [ 0.0110080100000000, 0.0173423800000000, -0.0212011400000000 ] - [ 0.0076895300000000, 0.0169622700000000, -0.0222057600000000 ] - [ -0.0248646600000000, 0.0271380800000000, 0.0671546500000000 ] - [ -0.0183905900000000, 0.0277868800000000, 0.0709616100000000 ] - [ -0.0226751700000000, 0.0196247600000000, 0.0681309100000000 ] - [ -0.0238063500000000, 0.0193670400000000, 0.0684367300000000 ] - [ 0.0280480400000000, 0.0816952500000000, 0.0941583800000000 ] - [ 0.0220154500000000, 0.0265832700000000, 0.0670610100000000 ] - [ 0.0206006400000000, 0.0173806500000000, 0.0661884100000000 ] - [ 0.0206026600000000, 0.0255442600000000, 0.0668276700000000 ] - [ 0.0032474700000000, -0.0105774000000000, -0.0086255900000000 ] - [ -0.0002581400000000, -0.0020388100000000, 0.0012855700000000 ] - [ 0.0019458100000000, 0.0021000700000000, 0.0004000400000000 ] - [ 0.0034323600000000, -0.0008422500000000, -0.0009238700000000 ] - [ 0.0145395000000000, 0.0402917700000000, -0.0582491600000000 ] - [ -0.0008506700000000, 0.0360753200000000, -0.0604474700000000 ] - [ -0.0175307000000000, 0.0337742800000000, -0.0673370600000000 ] - [ 0.0038247000000000, 0.0340493900000000, -0.0611129400000000 ] - [ 0.0041429200000000, 0.0005630300000000, -0.0031726700000000 ] - [ 0.0021883500000000, 0.0027550200000000, -0.0024830200000000 ] - [ 0.0013246800000000, 0.0047199600000000, -0.0011057700000000 ] - [ 0.0030928900000000, 0.0033443400000000, -0.0024781300000000 ] - [ 0.0051846400000000, -0.0439123600000000, -0.0611405900000000 ] - [ 0.0000125700000000, -0.0362262200000000, -0.0609814700000000 ] - [ 0.0024991700000000, -0.0312290200000000, -0.0618403900000000 ] - [ 0.0024711300000000, -0.0342325000000000, -0.0611451000000000 ] - [ -0.0109603100000000, -0.0625741300000000, 0.0052154200000000 ] - [ -0.0013630100000000, -0.0007670300000000, -0.0112877400000000 ] - [ -0.0005829200000000, 0.0089803900000000, -0.0104682500000000 ] - [ -0.0010006100000000, -0.0002941600000000, -0.0115384800000000 ] - [ 0.0017794800000000, -0.0075890600000000, -0.0081237900000000 ] - [ -0.0042325200000000, -0.0028230700000000, -0.0139713600000000 ] - [ -0.0007864700000000, 0.0002273000000000, -0.0114020300000000 ] - [ 0.0026802100000000, 0.0004280200000000, -0.0116116600000000 ] - [ 0.0155920700000000, -0.0097815800000000, 0.0255668500000000 ] - [ -0.0051921400000000, 0.0117370800000000, 0.0268558000000000 ] - [ 0.0004989500000000, 0.0181490000000000, 0.0291468300000000 ] - [ -0.0004086600000000, 0.0148045700000000, 0.0278887600000000 ] - [ -0.0059918700000000, 0.0101370700000000, 0.0272541700000000 ] - [ 0.0001245100000000, -0.0106221800000000, 0.0259613500000000 ] - [ -0.0019003500000000, 0.0119540600000000, 0.0268916500000000 ] - [ -0.0001926200000000, 0.0160647000000000, 0.0263288500000000 ] - [ -0.0007919700000000, 0.0002195300000000, -0.0018634500000000 ] - [ -0.0034884400000000, 0.0020897900000000, 0.0001541000000000 ] - [ -0.0045741600000000, -0.0020836000000000, 0.0009254300000000 ] - [ 0.0023838200000000, -0.0087443300000000, 0.0005968400000000 ] - [ 0.0005632800000000, -0.0008369200000000, -0.0019527400000000 ] - [ 0.0018874400000000, 0.0113602700000000, -0.0013843400000000 ] - [ 0.0000374000000000, -0.0024437300000000, -0.0005004000000000 ] - [ -0.0245867800000000, -0.0641957900000000, -0.0046094700000000 ] - [ -0.0141010100000000, -0.0443399600000000, -0.0545240500000000 ] - [ 0.0001098700000000, -0.0012619600000000, -0.0005972500000000 ] - [ -0.0001942600000000, 0.0116383600000000, 0.0043230500000000 ] - [ 0.0003731600000000, -0.0000367800000000, 0.0001128000000000 ] - [ -0.0010114100000000, 0.0205367800000000, -0.0608419000000000 ] - [ -0.0078781500000000, 0.0239278400000000, -0.0572719700000000 ] - [ -0.0053445000000000, 0.0227706400000000, -0.0618192200000000 ] - [ 0.0084302900000000, 0.0264958900000000, -0.0660672900000000 ] - [ 0.0021536900000000, -0.0025435300000000, 0.0050938600000000 ] - [ 0.0010594000000000, -0.0017111800000000, 0.0059148100000000 ] - [ 0.0001515300000000, -0.0063004800000000, 0.0028032200000000 ] - [ 0.0018757800000000, -0.0054196300000000, 0.0039808100000000 ] - [ -0.0017369700000000, -0.0013409200000000, 0.0040593700000000 ] - [ -0.0022506600000000, 0.0038731100000000, 0.0090788300000000 ] - [ -0.0014649900000000, -0.0025965100000000, 0.0032381000000000 ] - [ -0.0005518800000000, -0.0099945900000000, -0.0059336200000000 ] - [ -0.0004129700000000, 0.0012077900000000, -0.0064955000000000 ] - [ -0.0008809600000000, 0.0003599700000000, -0.0113711400000000 ] - [ -0.0007486400000000, 0.0038866600000000, -0.0218033400000000 ] - [ -0.0010770300000000, 0.0005976600000000, -0.0121132600000000 ] - [ 0.0010028700000000, 0.0015810300000000, -0.0111723800000000 ] - [ -0.0002060200000000, 0.0018148000000000, -0.0105320800000000 ] - [ -0.0006926500000000, 0.0031441000000000, -0.0139588500000000 ] - [ 0.0014169900000000, 0.0021595800000000, -0.0122878500000000 ] - [ 0.0013822300000000, -0.0127849500000000, 0.0277382700000000 ] - [ -0.0009466300000000, -0.0134193000000000, 0.0276298600000000 ] - [ -0.0016870200000000, -0.0153491500000000, 0.0268328100000000 ] - [ -0.0002294100000000, -0.0144044600000000, 0.0276039500000000 ] - [ -0.0006937600000000, -0.0112789000000000, 0.0267363700000000 ] - [ -0.0020123400000000, -0.0110013600000000, 0.0270063900000000 ] - [ -0.0021607400000000, -0.0115461200000000, 0.0264938300000000 ] - [ 0.0011990900000000, -0.0116713600000000, 0.0261589800000000 ] - [ -0.0010965600000000, -0.0001691800000000, -0.0021624700000000 ] - [ -0.0015797600000000, -0.0004783000000000, -0.0019103700000000 ] - [ -0.0013006000000000, 0.0026976200000000, -0.0000116300000000 ] - [ -0.0011186200000000, 0.0029156600000000, -0.0001617000000000 ] - [ 0.0005714400000000, 0.0008674200000000, -0.0019058100000000 ] - [ -0.0010308400000000, -0.0056080300000000, -0.0079338500000000 ] - [ 0.0006118200000000, 0.0020904500000000, -0.0010091800000000 ] - [ 0.0006057200000000, 0.0048794700000000, 0.0005517900000000 ] - [ 0.0003052700000000, -0.0033141500000000, -0.0057147500000000 ] - [ 0.0003936800000000, 0.0006938600000000, -0.0002188200000000 ] - [ 0.0007897500000000, 0.0040130300000000, -0.0002441400000000 ] - [ 0.0004055800000000, 0.0008707800000000, -0.0005535500000000 ] - [ -0.0019333600000000, -0.0222679900000000, -0.0607568900000000 ] - [ -0.0059346700000000, -0.0296665000000000, -0.0680672600000000 ] - [ -0.0016713800000000, -0.0209087200000000, -0.0607009300000000 ] - [ -0.0010148100000000, -0.0175154000000000, -0.0584249800000000 ] - [ -0.0015521400000000, 0.0017905100000000, 0.0069931300000000 ] - [ 0.0028941700000000, -0.0014400500000000, 0.0039284700000000 ] - [ 0.0029188500000000, 0.0061593600000000, 0.0052268900000000 ] - [ -0.0017040600000000, 0.0087381500000000, 0.0034143400000000 ] - [ -0.0020182900000000, 0.0013644500000000, 0.0039380200000000 ] - [ -0.0054781400000000, -0.0291926200000000, 0.0175349000000000 ] - [ -0.0015178800000000, 0.0023634100000000, 0.0038026400000000 ] - [ 0.0000527600000000, 0.0110453000000000, 0.0028005500000000 ]- atom: 17 displacement: [ 0.0000055737063633, 0.0000000000000000, 0.0099999984466897 ] forces: - [ 0.0006873300000000, 0.0047700000000000, 0.0024922100000000 ] - [ 0.0180722500000000, -0.0077939200000000, -0.0030035700000000 ] - [ 0.0006931100000000, 0.0071235700000000, 0.0030175600000000 ] - [ 0.0135033200000000, 0.0222285300000000, -0.0091561600000000 ] - [ 0.0158791400000000, -0.0079262200000000, 0.0149371700000000 ] - [ -0.0020709500000000, -0.0018966700000000, -0.0041598200000000 ] - [ 0.0001805900000000, -0.0005017500000000, -0.0020736600000000 ] - [ -0.0018974300000000, -0.0018840900000000, -0.0043247500000000 ] - [ 0.0026417300000000, -0.0065826100000000, 0.0074205900000000 ] - [ -0.0039401000000000, -0.0079475300000000, 0.0170363800000000 ] - [ 0.0026518300000000, -0.0063667700000000, 0.0065040500000000 ] - [ -0.0007218500000000, -0.0059792200000000, 0.0080186300000000 ] - [ -0.0135649500000000, -0.0132754200000000, -0.0019206700000000 ] - [ -0.0007219300000000, 0.0014991800000000, -0.0055079600000000 ] - [ -0.0199922200000000, 0.0208357400000000, -0.0028544500000000 ] - [ -0.0005920400000000, 0.0031095200000000, -0.0055701100000000 ] - [ -0.0148869700000000, -0.0187599600000000, -0.3377761800000000 ] - [ -0.0100862000000000, -0.0173783400000000, -0.0281331600000000 ] - [ -0.0093124200000000, -0.0159518100000000, -0.0399617900000000 ] - [ -0.0091904000000000, -0.0176116300000000, -0.0273139000000000 ] - [ 0.0025845500000000, -0.0163944300000000, -0.0379233800000000 ] - [ 0.0077960300000000, -0.0144207200000000, -0.0321314200000000 ] - [ 0.0098833400000000, -0.0143534300000000, -0.0306683900000000 ] - [ 0.0088140200000000, -0.0152147700000000, -0.0273316100000000 ] - [ 0.0117387800000000, 0.0386595300000000, 0.0976709800000000 ] - [ 0.0207240500000000, -0.0260261600000000, 0.0669130200000000 ] - [ 0.0288965600000000, -0.0530527800000000, 0.0992199800000000 ] - [ 0.0206812200000000, -0.0258687700000000, 0.0667375400000000 ] - [ -0.0092634600000000, -0.0269484600000000, 0.0679794900000000 ] - [ -0.0317982800000000, -0.0209192900000000, 0.0665598500000000 ] - [ -0.0104722300000000, -0.0265620700000000, 0.0669759200000000 ] - [ -0.0286689100000000, -0.0233742000000000, 0.0680898900000000 ] - [ -0.0083000000000000, 0.0161901800000000, -0.0061735200000000 ] - [ -0.0098424100000000, 0.0174776400000000, -0.0232860800000000 ] - [ -0.0113021300000000, 0.0242140900000000, -0.0061708600000000 ] - [ -0.0097235700000000, 0.0186729900000000, -0.0234169600000000 ] - [ 0.0093250300000000, 0.0137481700000000, -0.0138737300000000 ] - [ 0.0083721800000000, 0.0145003800000000, -0.0187048800000000 ] - [ 0.0098637200000000, 0.0174871900000000, -0.0155373200000000 ] - [ 0.0097442000000000, 0.0165258300000000, -0.0195876800000000 ] - [ -0.0401210700000000, 0.0173900400000000, 0.0710528600000000 ] - [ -0.0095892100000000, 0.0235657800000000, 0.0717587700000000 ] - [ -0.0243567300000000, 0.0228067400000000, 0.0686344100000000 ] - [ -0.0206150600000000, 0.0227724300000000, 0.0696885400000000 ] - [ 0.0140757400000000, -0.0000616700000000, 0.1537355700000000 ] - [ 0.0193489600000000, 0.0263521300000000, 0.0672220500000000 ] - [ 0.0208999000000000, 0.0270121000000000, 0.0691880100000000 ] - [ 0.0199736300000000, 0.0261517300000000, 0.0671345300000000 ] - [ -0.0010363700000000, 0.0011072100000000, 0.0056351600000000 ] - [ 0.0034023500000000, -0.0009173300000000, 0.0004254600000000 ] - [ 0.0010908100000000, -0.0002623500000000, 0.0012832400000000 ] - [ 0.0031196700000000, -0.0013600800000000, -0.0006013400000000 ] - [ -0.0135849500000000, 0.0278115900000000, -0.0638202000000000 ] - [ 0.0044777600000000, 0.0345072600000000, -0.0612236700000000 ] - [ -0.0101574500000000, 0.0393545400000000, -0.0631189100000000 ] - [ 0.0039387900000000, 0.0348070000000000, -0.0610285900000000 ] - [ 0.0055859000000000, 0.0077306500000000, -0.0082282000000000 ] - [ 0.0016191600000000, 0.0057592600000000, -0.0049660100000000 ] - [ 0.0048066100000000, 0.0021793900000000, -0.0060356900000000 ] - [ 0.0025575200000000, 0.0032250900000000, -0.0032756900000000 ] - [ 0.0245308600000000, -0.0354295100000000, -0.0669869300000000 ] - [ -0.0003944300000000, -0.0356913100000000, -0.0608105400000000 ] - [ 0.0031168900000000, -0.0329076500000000, -0.0617511600000000 ] - [ 0.0018474600000000, -0.0350204300000000, -0.0609982200000000 ] - [ -0.0099570800000000, -0.0465412800000000, 0.0464048300000000 ] - [ -0.0004825600000000, -0.0008244200000000, -0.0105398400000000 ] - [ -0.0013427800000000, -0.0052152900000000, -0.0065118300000000 ] - [ -0.0007509600000000, -0.0009641100000000, -0.0109577700000000 ] - [ 0.0041512200000000, -0.0028541800000000, -0.0078110800000000 ] - [ -0.0012047300000000, -0.0035378800000000, -0.0090278900000000 ] - [ 0.0021895900000000, -0.0048669500000000, -0.0088527300000000 ] - [ -0.0008939900000000, -0.0034573100000000, -0.0105844300000000 ] - [ -0.0072368500000000, 0.0197569200000000, 0.0430980700000000 ] - [ 0.0006224500000000, 0.0141742700000000, 0.0291367000000000 ] - [ -0.0006550600000000, 0.0153142800000000, 0.0309320400000000 ] - [ -0.0002433700000000, 0.0139553800000000, 0.0283422500000000 ] - [ -0.0001375600000000, 0.0112052900000000, 0.0281051300000000 ] - [ 0.0032627900000000, 0.0083135900000000, 0.0453770100000000 ] - [ -0.0015600200000000, 0.0108827900000000, 0.0276313000000000 ] - [ 0.0004747800000000, 0.0098873100000000, 0.0289507800000000 ] - [ -0.0026285900000000, -0.0027230300000000, 0.0024335800000000 ] - [ -0.0017044900000000, -0.0020283200000000, 0.0023117700000000 ] - [ -0.0024575800000000, -0.0038112800000000, 0.0034497700000000 ] - [ 0.0003117600000000, -0.0017619500000000, 0.0015616600000000 ] - [ 0.0008227000000000, -0.0019353000000000, -0.0002753000000000 ] - [ 0.0030665800000000, -0.0094694100000000, 0.0096318100000000 ] - [ 0.0007995400000000, -0.0021954900000000, -0.0002077000000000 ] - [ -0.0059776800000000, -0.0018471300000000, 0.0102255200000000 ] - [ 0.0239048600000000, 0.0360721800000000, 0.1053208800000000 ] - [ 0.0006261800000000, -0.0000793600000000, 0.0006299600000000 ] - [ 0.0004659400000000, 0.0057178100000000, 0.0039988500000000 ] - [ 0.0006116800000000, -0.0002948300000000, 0.0003995000000000 ] - [ -0.0045967400000000, 0.0228681700000000, -0.0616980700000000 ] - [ 0.0120191700000000, 0.0172913800000000, -0.0650118400000000 ] - [ -0.0041993700000000, 0.0225427500000000, -0.0614716600000000 ] - [ 0.0049470600000000, 0.0243773500000000, -0.0638752600000000 ] - [ -0.0007275700000000, -0.0046264000000000, 0.0012926100000000 ] - [ 0.0025973000000000, -0.0041583000000000, 0.0032869400000000 ] - [ -0.0016175500000000, -0.0032466900000000, 0.0023067800000000 ] - [ 0.0026510800000000, -0.0034012800000000, 0.0034407200000000 ] - [ -0.0013505900000000, -0.0019452500000000, 0.0028055000000000 ] - [ 0.0005674000000000, -0.0085351600000000, -0.0087744300000000 ] - [ -0.0013225700000000, -0.0020708600000000, 0.0029288400000000 ] - [ -0.0007433900000000, 0.0007747600000000, -0.0072845100000000 ] - [ 0.0005118500000000, -0.0051259300000000, -0.0238448100000000 ] - [ -0.0007326500000000, 0.0001458600000000, -0.0125285400000000 ] - [ -0.0003734100000000, 0.0001546300000000, -0.0192927500000000 ] - [ -0.0007593400000000, 0.0000427800000000, -0.0125370700000000 ] - [ -0.0019635900000000, -0.0004451900000000, -0.0151740600000000 ] - [ 0.0016198100000000, 0.0013169500000000, -0.0130802100000000 ] - [ -0.0013283500000000, 0.0009263700000000, -0.0149553800000000 ] - [ 0.0011630100000000, 0.0013394000000000, -0.0129748800000000 ] - [ -0.0014675600000000, -0.0126551700000000, 0.0247075600000000 ] - [ -0.0004340100000000, -0.0135120600000000, 0.0268964400000000 ] - [ -0.0000706000000000, -0.0122034400000000, 0.0229821500000000 ] - [ -0.0004097300000000, -0.0138734500000000, 0.0268908800000000 ] - [ -0.0003222200000000, -0.0114847100000000, 0.0256921000000000 ] - [ -0.0004084100000000, -0.0116693700000000, 0.0243624000000000 ] - [ -0.0007694700000000, -0.0118016200000000, 0.0258244700000000 ] - [ -0.0010540400000000, -0.0125221500000000, 0.0245462200000000 ] - [ 0.0004586200000000, -0.0011082400000000, -0.0051587200000000 ] - [ -0.0019914500000000, 0.0000977400000000, -0.0036218200000000 ] - [ -0.0011236800000000, 0.0014350200000000, -0.0018972600000000 ] - [ -0.0010791800000000, 0.0014715400000000, -0.0018066700000000 ] - [ 0.0007818500000000, 0.0007229800000000, -0.0024937200000000 ] - [ -0.0018511700000000, -0.0073238000000000, -0.0191053100000000 ] - [ 0.0006835700000000, 0.0014541200000000, -0.0017892400000000 ] - [ 0.0005138300000000, 0.0000331800000000, -0.0046823300000000 ] - [ 0.0003147000000000, 0.0138951400000000, -0.0134525300000000 ] - [ 0.0005601900000000, 0.0016609900000000, -0.0012090300000000 ] - [ -0.0001914600000000, -0.0004678700000000, -0.0064251600000000 ] - [ 0.0005001100000000, 0.0008940700000000, -0.0007532500000000 ] - [ 0.0029686100000000, -0.0200182500000000, -0.0603524900000000 ] - [ -0.0162419100000000, -0.0181524400000000, -0.0656225300000000 ] - [ -0.0005090900000000, -0.0214115000000000, -0.0608591600000000 ] - [ -0.0025633000000000, -0.0226290900000000, -0.0618552200000000 ] - [ 0.0049226400000000, 0.0032791600000000, 0.0080718300000000 ] - [ -0.0024865800000000, 0.0040254700000000, 0.0062391700000000 ] - [ 0.0028521000000000, 0.0051374800000000, 0.0065155100000000 ] - [ -0.0006798600000000, 0.0061993000000000, 0.0046872600000000 ] - [ -0.0012342600000000, 0.0017779300000000, 0.0047896300000000 ] - [ 0.0014221500000000, 0.0060989100000000, 0.0062848800000000 ] - [ -0.0011375400000000, 0.0023079700000000, 0.0041917700000000 ] - [ -0.0013123700000000, 0.0063103700000000, 0.0057466500000000 ]- atom: 17 displacement: [ -0.0000055737063633, 0.0000000000000000, -0.0099999984466897 ] forces: - [ 0.0027547500000000, 0.0077351600000000, 0.0072077900000000 ] - [ -0.0145550000000000, 0.0202618200000000, 0.0125957000000000 ] - [ 0.0027407000000000, 0.0053882100000000, 0.0066852500000000 ] - [ -0.0099754800000000, -0.0096612600000000, 0.0187240500000000 ] - [ -0.0189972200000000, 0.0037365100000000, -0.0248062600000000 ] - [ -0.0009842100000000, -0.0022875500000000, -0.0056310600000000 ] - [ -0.0032212700000000, -0.0036675400000000, -0.0077223300000000 ] - [ -0.0011547600000000, -0.0022901700000000, -0.0054771100000000 ] - [ 0.0007967400000000, -0.0059242200000000, 0.0023082000000000 ] - [ 0.0074218200000000, -0.0045708600000000, -0.0073135500000000 ] - [ 0.0007905300000000, -0.0061338800000000, 0.0032183800000000 ] - [ 0.0041639200000000, -0.0065295000000000, 0.0017147500000000 ] - [ 0.0104591700000000, 0.0173650800000000, -0.0078971300000000 ] - [ -0.0023293400000000, 0.0026786600000000, -0.0043079300000000 ] - [ 0.0167840400000000, -0.0164914500000000, -0.0069748600000000 ] - [ -0.0024589200000000, 0.0010714000000000, -0.0042421100000000 ] - [ -0.0022850200000000, -0.0104221000000000, 0.2906239600000000 ] - [ -0.0091917800000000, -0.0181460600000000, -0.0228614300000000 ] - [ -0.0099733900000000, -0.0195706800000000, -0.0110737300000000 ] - [ -0.0101092300000000, -0.0179052600000000, -0.0236800900000000 ] - [ 0.0162274500000000, -0.0139273400000000, -0.0092364000000000 ] - [ 0.0106400300000000, -0.0159477700000000, -0.0149944800000000 ] - [ 0.0087894400000000, -0.0159761400000000, -0.0164551200000000 ] - [ 0.0098613200000000, -0.0151192600000000, -0.0197935300000000 ] - [ 0.0282769600000000, -0.0909465800000000, 0.0363377300000000 ] - [ 0.0192970600000000, -0.0263091900000000, 0.0670595700000000 ] - [ 0.0112940600000000, 0.0007728200000000, 0.0349948900000000 ] - [ 0.0193436100000000, -0.0264711800000000, 0.0672310400000000 ] - [ -0.0353060800000000, -0.0190926700000000, 0.0685984900000000 ] - [ -0.0128137100000000, -0.0250283000000000, 0.0700448900000000 ] - [ -0.0341250500000000, -0.0194573700000000, 0.0696042700000000 ] - [ -0.0159753100000000, -0.0226415500000000, 0.0685136000000000 ] - [ -0.0109650300000000, 0.0192643800000000, -0.0446824300000000 ] - [ -0.0094599300000000, 0.0180401300000000, -0.0276822700000000 ] - [ -0.0079982000000000, 0.0114040800000000, -0.0447302000000000 ] - [ -0.0095787200000000, 0.0168523100000000, -0.0275549500000000 ] - [ 0.0093300500000000, 0.0165780300000000, -0.0331771900000000 ] - [ 0.0103180900000000, 0.0158296200000000, -0.0283727700000000 ] - [ 0.0087978900000000, 0.0128738300000000, -0.0315343100000000 ] - [ 0.0089451000000000, 0.0138284200000000, -0.0274972400000000 ] - [ -0.0046322500000000, 0.0285577700000000, 0.0655131500000000 ] - [ -0.0349341400000000, 0.0224637500000000, 0.0648041500000000 ] - [ -0.0202617800000000, 0.0232096200000000, 0.0679366100000000 ] - [ -0.0239824900000000, 0.0232419900000000, 0.0668859800000000 ] - [ 0.0259379700000000, 0.0520876500000000, -0.0185498700000000 ] - [ 0.0206757600000000, 0.0259871000000000, 0.0667385100000000 ] - [ 0.0191440600000000, 0.0253412200000000, 0.0647757700000000 ] - [ 0.0200572000000000, 0.0261883100000000, 0.0668323000000000 ] - [ 0.0064084100000000, -0.0066550800000000, -0.0097809900000000 ] - [ 0.0020116200000000, -0.0046483400000000, -0.0046041400000000 ] - [ 0.0042828800000000, -0.0052751900000000, -0.0054118200000000 ] - [ 0.0022551800000000, -0.0041703300000000, -0.0035232300000000 ] - [ 0.0185501400000000, 0.0424085600000000, -0.0579552700000000 ] - [ 0.0006146100000000, 0.0357013800000000, -0.0605617600000000 ] - [ 0.0151543200000000, 0.0307905500000000, -0.0586616700000000 ] - [ 0.0011469300000000, 0.0354130300000000, -0.0607530700000000 ] - [ -0.0001914800000000, -0.0021509600000000, 0.0040703200000000 ] - [ 0.0037430200000000, -0.0002082000000000, 0.0008249600000000 ] - [ 0.0005764900000000, 0.0033486000000000, 0.0018889400000000 ] - [ 0.0028132700000000, 0.0023145000000000, -0.0008566000000000 ] - [ -0.0193069000000000, -0.0347915600000000, -0.0548252400000000 ] - [ 0.0054516200000000, -0.0345373000000000, -0.0609605600000000 ] - [ 0.0019508000000000, -0.0373084700000000, -0.0600277300000000 ] - [ 0.0032196800000000, -0.0352027400000000, -0.0607793400000000 ] - [ 0.0081133600000000, 0.0426381100000000, -0.0679815900000000 ] - [ -0.0008343300000000, -0.0001241700000000, -0.0127014900000000 ] - [ 0.0000181100000000, 0.0042330200000000, -0.0167093900000000 ] - [ -0.0005642600000000, 0.0000158000000000, -0.0122921000000000 ] - [ -0.0033468400000000, -0.0011862100000000, -0.0150660200000000 ] - [ 0.0020033500000000, -0.0004931600000000, -0.0138782800000000 ] - [ -0.0013764500000000, 0.0008267400000000, -0.0140630800000000 ] - [ 0.0016817600000000, -0.0005765700000000, -0.0123386900000000 ] - [ 0.0075163200000000, 0.0074656800000000, 0.0119454900000000 ] - [ -0.0011397100000000, 0.0134216600000000, 0.0261401300000000 ] - [ 0.0001476700000000, 0.0122865000000000, 0.0243654500000000 ] - [ -0.0002560300000000, 0.0136404800000000, 0.0269479700000000 ] - [ -0.0017349200000000, 0.0113229100000000, 0.0254269100000000 ] - [ -0.0060074300000000, 0.0142851300000000, 0.0080507700000000 ] - [ -0.0002723400000000, 0.0116570300000000, 0.0259037900000000 ] - [ -0.0023107700000000, 0.0126502700000000, 0.0245929400000000 ] - [ -0.0002429600000000, -0.0003423900000000, -0.0035523800000000 ] - [ -0.0011668100000000, -0.0010404100000000, -0.0034309900000000 ] - [ -0.0004130200000000, 0.0007644100000000, -0.0045735100000000 ] - [ -0.0031511400000000, -0.0012596400000000, -0.0027036100000000 ] - [ 0.0007653800000000, -0.0012058100000000, -0.0021025500000000 ] - [ -0.0014736800000000, 0.0063187300000000, -0.0119659200000000 ] - [ 0.0007884900000000, -0.0009393700000000, -0.0021716100000000 ] - [ 0.0077059600000000, -0.0004728700000000, -0.0133080900000000 ] - [ -0.0244778900000000, -0.0422872700000000, -0.1128894100000000 ] - [ 0.0006063900000000, -0.0013893700000000, -0.0010497600000000 ] - [ 0.0007519000000000, -0.0071572900000000, -0.0044087700000000 ] - [ 0.0006205400000000, -0.0011752300000000, -0.0008196900000000 ] - [ 0.0018836600000000, 0.0204755500000000, -0.0602760200000000 ] - [ -0.0146952500000000, 0.0260507700000000, -0.0569797200000000 ] - [ 0.0014937100000000, 0.0207950800000000, -0.0604978100000000 ] - [ -0.0076211900000000, 0.0189753300000000, -0.0581218900000000 ] - [ 0.0031653100000000, -0.0030263300000000, 0.0081646700000000 ] - [ -0.0001549100000000, -0.0034964100000000, 0.0061742100000000 ] - [ 0.0040599700000000, -0.0044044600000000, 0.0071631700000000 ] - [ -0.0002136200000000, -0.0042521800000000, 0.0060275200000000 ] - [ -0.0011240900000000, -0.0020665400000000, 0.0045170500000000 ] - [ -0.0030409900000000, 0.0044998900000000, 0.0160150400000000 ] - [ -0.0011522100000000, -0.0019368600000000, 0.0044003800000000 ] - [ -0.0017190600000000, -0.0048467500000000, 0.0145816600000000 ] - [ -0.0018305500000000, 0.0060848900000000, 0.0005494600000000 ] - [ -0.0005815100000000, 0.0007980900000000, -0.0107314400000000 ] - [ -0.0009488300000000, 0.0007996300000000, -0.0040521700000000 ] - [ -0.0005550300000000, 0.0009008200000000, -0.0107219900000000 ] - [ 0.0027651700000000, 0.0044639900000000, -0.0077720100000000 ] - [ -0.0008247000000000, 0.0027038500000000, -0.0098628800000000 ] - [ 0.0021307700000000, 0.0030891900000000, -0.0079871400000000 ] - [ -0.0003600100000000, 0.0026795800000000, -0.0099685100000000 ] - [ 0.0009710400000000, -0.0149291400000000, 0.0305631100000000 ] - [ -0.0000707900000000, -0.0140807800000000, 0.0283834300000000 ] - [ -0.0004274500000000, -0.0154046200000000, 0.0322914000000000 ] - [ -0.0000936300000000, -0.0137217600000000, 0.0283896400000000 ] - [ -0.0015003500000000, -0.0110578800000000, 0.0278332200000000 ] - [ -0.0014483700000000, -0.0108673600000000, 0.0291582500000000 ] - [ -0.0010575400000000, -0.0107445400000000, 0.0277028900000000 ] - [ -0.0007942800000000, -0.0100331800000000, 0.0289765700000000 ] - [ -0.0033142600000000, 0.0041572400000000, 0.0040092700000000 ] - [ -0.0008906300000000, 0.0029519700000000, 0.0024858000000000 ] - [ -0.0017425800000000, 0.0016275700000000, 0.0007635800000000 ] - [ -0.0017915700000000, 0.0015900000000000, 0.0006736400000000 ] - [ 0.0008064600000000, 0.0024105900000000, 0.0001051900000000 ] - [ 0.0034307100000000, 0.0104312900000000, 0.0166422200000000 ] - [ 0.0009035300000000, 0.0016827500000000, -0.0005971400000000 ] - [ 0.0010686400000000, 0.0031126600000000, 0.0022872800000000 ] - [ 0.0009079600000000, -0.0122909700000000, 0.0128783300000000 ] - [ 0.0006715600000000, -0.0001851000000000, 0.0007821100000000 ] - [ 0.0014185000000000, 0.0019216300000000, 0.0059783600000000 ] - [ 0.0007316300000000, 0.0005780700000000, 0.0003291500000000 ] - [ -0.0056436900000000, -0.0233075300000000, -0.0616024200000000 ] - [ 0.0134337500000000, -0.0251418800000000, -0.0563441400000000 ] - [ -0.0021883500000000, -0.0219274200000000, -0.0611090200000000 ] - [ -0.0001542800000000, -0.0207127200000000, -0.0601142500000000 ] - [ -0.0024366700000000, 0.0043665500000000, 0.0014138000000000 ] - [ 0.0049271600000000, 0.0036312400000000, 0.0032848700000000 ] - [ -0.0004056500000000, 0.0025066500000000, 0.0029723800000000 ] - [ 0.0031243500000000, 0.0014480900000000, 0.0047995600000000 ] - [ -0.0012422400000000, 0.0022290200000000, 0.0025511000000000 ] - [ -0.0035693700000000, -0.0010663500000000, 0.0029882500000000 ] - [ -0.0013404900000000, 0.0016982600000000, 0.0031465700000000 ] - [ -0.0011703400000000, -0.0023046200000000, 0.0016053600000000 ]- atom: 21 displacement: [ 0.0099999993466229, 0.0000000000000000, -0.0000036149054082 ] forces: - [ -0.0060926300000000, 0.0319938800000000, -0.0085342100000000 ] - [ 0.0077558900000000, 0.0019268200000000, 0.0060666600000000 ] - [ 0.0022188800000000, -0.0134136300000000, -0.0050874400000000 ] - [ 0.0083394600000000, 0.0096475600000000, 0.0062441900000000 ] - [ -0.0028675000000000, 0.0004230900000000, -0.0156752100000000 ] - [ 0.0024111100000000, -0.0024866500000000, -0.0022372900000000 ] - [ -0.0036264500000000, -0.0031729000000000, -0.0052566600000000 ] - [ 0.0001741500000000, -0.0022355100000000, -0.0044886800000000 ] - [ -0.0028485900000000, -0.0050802700000000, 0.0067444200000000 ] - [ 0.0056733100000000, -0.0061137900000000, 0.0039076500000000 ] - [ -0.0011815500000000, -0.0074693900000000, 0.0055411000000000 ] - [ 0.0046159500000000, -0.0061510300000000, 0.0045658400000000 ] - [ -0.0039739700000000, -0.0060289900000000, -0.0008509800000000 ] - [ 0.0033049700000000, 0.0049953800000000, -0.0063167500000000 ] - [ -0.0092088700000000, 0.0214617000000000, 0.0176030600000000 ] - [ 0.0030414800000000, -0.0014206500000000, -0.0074627500000000 ] - [ 0.0756556200000000, -0.0398858500000000, -0.0323739600000000 ] - [ 0.0749362100000000, -0.0384668600000000, -0.0269463100000000 ] - [ -0.0088511600000000, -0.0175595600000000, -0.0249531200000000 ] - [ -0.0090096100000000, -0.0172434700000000, -0.0260175500000000 ] - [ -0.2273024200000000, -0.0002375600000000, -0.0032535000000000 ] - [ 0.0316284700000000, -0.0102090400000000, -0.0224460900000000 ] - [ 0.0038504200000000, -0.0170200500000000, -0.0238494200000000 ] - [ 0.0141074100000000, -0.0149103200000000, -0.0239454200000000 ] - [ 0.0244823800000000, -0.0345693100000000, 0.0609959900000000 ] - [ 0.0195968300000000, -0.0157768900000000, 0.0750667800000000 ] - [ 0.0188546000000000, -0.0203003000000000, 0.0572765800000000 ] - [ 0.0249583500000000, -0.0323495700000000, 0.0782135200000000 ] - [ -0.0358841300000000, -0.0350752100000000, 0.0639779000000000 ] - [ -0.0142089700000000, -0.0241234000000000, 0.0683469300000000 ] - [ -0.0405877000000000, -0.0301891300000000, 0.0837294000000000 ] - [ -0.0139020700000000, -0.0243180900000000, 0.0676696800000000 ] - [ -0.0081112100000000, 0.0162497000000000, -0.0254793700000000 ] - [ -0.0108717100000000, 0.0189283600000000, -0.0264524300000000 ] - [ -0.0083489900000000, 0.0194295000000000, -0.0249579000000000 ] - [ -0.0104669400000000, 0.0161112500000000, -0.0250902600000000 ] - [ 0.0054658100000000, 0.0149051400000000, -0.0245960300000000 ] - [ 0.0129475500000000, 0.0149765300000000, -0.0240207100000000 ] - [ 0.0048536900000000, 0.0160379400000000, -0.0220992900000000 ] - [ 0.0134948700000000, 0.0146298400000000, -0.0237805600000000 ] - [ -0.0430898000000000, 0.0300616700000000, 0.0672706900000000 ] - [ -0.0121027800000000, 0.0248989100000000, 0.0686196600000000 ] - [ -0.0277428000000000, 0.0235088600000000, 0.0666389600000000 ] - [ -0.0177473100000000, 0.0231483200000000, 0.0686797700000000 ] - [ 0.0228830300000000, 0.0238496000000000, 0.0792734800000000 ] - [ 0.0240523700000000, 0.0279725700000000, 0.0535804500000000 ] - [ 0.0205062200000000, 0.0271668600000000, 0.0680804700000000 ] - [ 0.0206176000000000, 0.0261008300000000, 0.0650115700000000 ] - [ 0.0280838800000000, -0.0183650600000000, -0.0326944800000000 ] - [ -0.0005954400000000, -0.0036761300000000, -0.0016718400000000 ] - [ 0.0050031600000000, -0.0001428200000000, -0.0020444500000000 ] - [ 0.0013579900000000, -0.0024533800000000, -0.0014093200000000 ] - [ 0.0035690700000000, 0.0377625200000000, -0.0598778000000000 ] - [ -0.0026156000000000, 0.0341563500000000, -0.0614016200000000 ] - [ 0.0116392500000000, 0.0301797100000000, -0.0592747500000000 ] - [ -0.0040770100000000, 0.0356861800000000, -0.0619145000000000 ] - [ 0.0050335500000000, 0.0015533500000000, -0.0033132700000000 ] - [ 0.0009615500000000, 0.0025045500000000, -0.0012129900000000 ] - [ 0.0060238400000000, 0.0015093000000000, -0.0041185900000000 ] - [ 0.0011560900000000, 0.0032949400000000, -0.0012253000000000 ] - [ 0.0098208100000000, -0.0332671900000000, -0.0650619500000000 ] - [ -0.0050465600000000, -0.0353447400000000, -0.0592764500000000 ] - [ 0.0052300300000000, -0.0345159200000000, -0.0611677200000000 ] - [ -0.0002288100000000, -0.0356362800000000, -0.0604881000000000 ] - [ -0.0062776100000000, 0.0083364600000000, -0.0212628100000000 ] - [ -0.0086752400000000, -0.0077680800000000, -0.0004139300000000 ] - [ -0.0018429100000000, -0.0026437800000000, -0.0120139900000000 ] - [ -0.0010893100000000, 0.0007833800000000, -0.0108788100000000 ] - [ 0.0207866400000000, -0.0070236400000000, -0.0116413600000000 ] - [ -0.0035362100000000, -0.0023081100000000, -0.0120035600000000 ] - [ 0.0044291000000000, -0.0024435300000000, -0.0102958600000000 ] - [ -0.0016427100000000, -0.0017862800000000, -0.0117782100000000 ] - [ 0.0490062300000000, 0.0402730800000000, 0.0345760000000000 ] - [ -0.0234739900000000, 0.0181167600000000, 0.0293303000000000 ] - [ 0.0023134000000000, 0.0147451900000000, 0.0278803100000000 ] - [ -0.0028130800000000, 0.0134302900000000, 0.0274629500000000 ] - [ 0.0234349800000000, 0.0250491900000000, 0.0300284200000000 ] - [ -0.0259119500000000, 0.0149979000000000, 0.0262477200000000 ] - [ 0.0019506900000000, 0.0124526200000000, 0.0264387500000000 ] - [ -0.0041903400000000, 0.0109298600000000, 0.0269156100000000 ] - [ 0.0019985000000000, -0.0003102900000000, -0.0041685800000000 ] - [ -0.0030906900000000, -0.0011310700000000, 0.0003816600000000 ] - [ 0.0196107400000000, -0.0189404300000000, -0.0026003200000000 ] - [ -0.0048129400000000, -0.0018484700000000, 0.0004896800000000 ] - [ 0.0000254000000000, -0.0040365800000000, -0.0022983800000000 ] - [ 0.0002426200000000, 0.0001781500000000, -0.0017012400000000 ] - [ -0.0051852100000000, 0.0127339900000000, -0.0105773700000000 ] - [ -0.0057390300000000, -0.0125585900000000, 0.0078942300000000 ] - [ -0.0024513200000000, 0.0091614900000000, 0.0112458100000000 ] - [ -0.0071522500000000, -0.0097217200000000, -0.0140340000000000 ] - [ 0.0006302000000000, -0.0019892500000000, -0.0004672900000000 ] - [ 0.0001845100000000, 0.0006172600000000, -0.0002028000000000 ] - [ 0.0077882500000000, 0.0204710200000000, -0.0619964800000000 ] - [ -0.0071148200000000, 0.0226032000000000, -0.0602189200000000 ] - [ 0.0015749300000000, 0.0232203000000000, -0.0628669400000000 ] - [ -0.0061290100000000, 0.0210457800000000, -0.0602242200000000 ] - [ 0.0034765200000000, -0.0012439300000000, 0.0068214600000000 ] - [ -0.0005271800000000, -0.0041212400000000, 0.0044136500000000 ] - [ 0.0042896200000000, -0.0056391200000000, 0.0039427600000000 ] - [ -0.0008224500000000, -0.0041567200000000, 0.0044652900000000 ] - [ -0.0006079800000000, -0.0030976600000000, 0.0022900100000000 ] - [ -0.0021451500000000, -0.0003761000000000, 0.0056644100000000 ] - [ -0.0012129100000000, -0.0019467400000000, 0.0014635100000000 ] - [ -0.0019344300000000, -0.0023871900000000, 0.0051723100000000 ] - [ -0.0014640500000000, 0.0014874800000000, -0.0098869200000000 ] - [ -0.0002857800000000, -0.0002579800000000, -0.0129798100000000 ] - [ -0.0011035100000000, -0.0003558500000000, -0.0105417100000000 ] - [ -0.0005788900000000, 0.0015097500000000, -0.0131816400000000 ] - [ 0.0025119800000000, 0.0028058700000000, -0.0098468800000000 ] - [ -0.0012532100000000, 0.0018110300000000, -0.0116754200000000 ] - [ 0.0024450100000000, 0.0027507600000000, -0.0135353300000000 ] - [ -0.0011631500000000, 0.0021433400000000, -0.0118163300000000 ] - [ 0.0011483300000000, -0.0137625600000000, 0.0279510800000000 ] - [ -0.0017285100000000, -0.0137134500000000, 0.0275464600000000 ] - [ 0.0016641300000000, -0.0148295900000000, 0.0280894800000000 ] - [ -0.0019857500000000, -0.0131947300000000, 0.0272619500000000 ] - [ 0.0022108500000000, -0.0115295800000000, 0.0268006100000000 ] - [ -0.0039902900000000, -0.0111144000000000, 0.0269357400000000 ] - [ 0.0023439600000000, -0.0110763800000000, 0.0265635100000000 ] - [ -0.0043079100000000, -0.0115022300000000, 0.0267952400000000 ] - [ 0.0008618200000000, 0.0008799900000000, -0.0017761700000000 ] - [ -0.0030195200000000, 0.0014692900000000, 0.0001822200000000 ] - [ -0.0003403300000000, 0.0021313800000000, -0.0004963200000000 ] - [ -0.0023966400000000, 0.0014469400000000, -0.0001447900000000 ] - [ 0.0014488300000000, 0.0029549200000000, 0.0013246800000000 ] - [ -0.0002971600000000, 0.0000628400000000, -0.0039040500000000 ] - [ 0.0011317300000000, 0.0014658000000000, -0.0009124500000000 ] - [ 0.0003382200000000, 0.0019985500000000, -0.0011097700000000 ] - [ 0.0005326000000000, 0.0027487900000000, -0.0023800600000000 ] - [ 0.0003040700000000, -0.0014531200000000, 0.0022640700000000 ] - [ -0.0004871900000000, -0.0004681300000000, -0.0015156000000000 ] - [ 0.0006837200000000, 0.0013664900000000, 0.0001837700000000 ] - [ 0.0051924900000000, -0.0207457300000000, -0.0555372700000000 ] - [ -0.0077761300000000, -0.0218681600000000, -0.0628209200000000 ] - [ 0.0012296200000000, -0.0197202300000000, -0.0590402500000000 ] - [ -0.0039349300000000, -0.0224964600000000, -0.0617020100000000 ] - [ 0.0182455200000000, 0.0022030000000000, 0.0099687800000000 ] - [ -0.0028109500000000, 0.0041499200000000, 0.0043478200000000 ] - [ 0.0054478900000000, 0.0020503700000000, 0.0059370900000000 ] - [ -0.0012269400000000, 0.0047463700000000, 0.0041701000000000 ] - [ -0.0067309300000000, 0.0049049000000000, 0.0139622500000000 ] - [ -0.0077317600000000, 0.0006883600000000, -0.0055383500000000 ] - [ -0.0028263700000000, -0.0001364400000000, 0.0046794000000000 ] - [ -0.0013797600000000, 0.0029192200000000, 0.0031182900000000 ]- atom: 21 displacement: [ -0.0099999993466229, 0.0000000000000000, 0.0000036149054082 ] forces: - [ 0.0096177300000000, -0.0197538600000000, 0.0183489200000000 ] - [ -0.0043178400000000, 0.0105687800000000, 0.0036388400000000 ] - [ 0.0012419900000000, 0.0261053600000000, 0.0148470200000000 ] - [ -0.0048972100000000, 0.0028674800000000, 0.0034728000000000 ] - [ -0.0002105700000000, -0.0046827800000000, 0.0058913500000000 ] - [ -0.0054754500000000, -0.0016932800000000, -0.0075856100000000 ] - [ 0.0005786000000000, -0.0009689600000000, -0.0045405800000000 ] - [ -0.0032256600000000, -0.0019297900000000, -0.0053210100000000 ] - [ 0.0063445300000000, -0.0074512500000000, 0.0030122000000000 ] - [ -0.0022437800000000, -0.0064036800000000, 0.0058142700000000 ] - [ 0.0046512800000000, -0.0050114100000000, 0.0041788800000000 ] - [ -0.0011840300000000, -0.0063392400000000, 0.0051527900000000 ] - [ 0.0009059200000000, 0.0102288500000000, -0.0089722300000000 ] - [ -0.0063695900000000, -0.0008330000000000, -0.0034865600000000 ] - [ 0.0061744700000000, -0.0171364100000000, -0.0272881100000000 ] - [ -0.0061144500000000, 0.0056234800000000, -0.0023346400000000 ] - [ -0.0945544100000000, 0.0043032700000000, -0.0186483300000000 ] - [ -0.0950247800000000, 0.0031153100000000, -0.0240147700000000 ] - [ -0.0104591900000000, -0.0179319300000000, -0.0260532800000000 ] - [ -0.0102761900000000, -0.0182691300000000, -0.0249740800000000 ] - [ 0.2451901200000000, -0.0311569900000000, -0.0447033300000000 ] - [ -0.0130116000000000, -0.0201440700000000, -0.0246603700000000 ] - [ 0.0148480300000000, -0.0132988600000000, -0.0232979200000000 ] - [ 0.0045583900000000, -0.0154301700000000, -0.0231663200000000 ] - [ 0.0154208900000000, -0.0177933900000000, 0.0729734300000000 ] - [ 0.0205296300000000, -0.0365837500000000, 0.0588582900000000 ] - [ 0.0212143400000000, -0.0320317300000000, 0.0766763900000000 ] - [ 0.0150661200000000, -0.0199480500000000, 0.0556938900000000 ] - [ -0.0086799400000000, -0.0105468900000000, 0.0728265000000000 ] - [ -0.0304204100000000, -0.0218894700000000, 0.0682197500000000 ] - [ -0.0040191100000000, -0.0158909700000000, 0.0529068900000000 ] - [ -0.0307264000000000, -0.0216761500000000, 0.0688980100000000 ] - [ -0.0111956600000000, 0.0192727900000000, -0.0254677500000000 ] - [ -0.0084069800000000, 0.0165855000000000, -0.0245061500000000 ] - [ -0.0109628700000000, 0.0160809000000000, -0.0260178400000000 ] - [ -0.0088199200000000, 0.0194204300000000, -0.0258894700000000 ] - [ 0.0132218800000000, 0.0154328300000000, -0.0224521000000000 ] - [ 0.0057177600000000, 0.0153660900000000, -0.0230684000000000 ] - [ 0.0138411800000000, 0.0143023300000000, -0.0249571400000000 ] - [ 0.0051700400000000, 0.0157198100000000, -0.0233193400000000 ] - [ -0.0014345500000000, 0.0158315800000000, 0.0691964100000000 ] - [ -0.0325308800000000, 0.0210937600000000, 0.0679620800000000 ] - [ -0.0168406700000000, 0.0225166100000000, 0.0699364000000000 ] - [ -0.0268691100000000, 0.0228610800000000, 0.0678983000000000 ] - [ 0.0171472900000000, 0.0284766800000000, 0.0547185400000000 ] - [ 0.0159460100000000, 0.0243358400000000, 0.0804758400000000 ] - [ 0.0195165500000000, 0.0251835000000000, 0.0658959500000000 ] - [ 0.0194134200000000, 0.0262491000000000, 0.0689688900000000 ] - [ -0.0230825000000000, 0.0130440600000000, 0.0289689200000000 ] - [ 0.0059863700000000, -0.0018410800000000, -0.0024546400000000 ] - [ 0.0003682200000000, -0.0053711300000000, -0.0020781300000000 ] - [ 0.0040213100000000, -0.0030874600000000, -0.0027269600000000 ] - [ 0.0016409100000000, 0.0324155000000000, -0.0619158700000000 ] - [ 0.0076648600000000, 0.0360531800000000, -0.0603803700000000 ] - [ -0.0065766500000000, 0.0399982100000000, -0.0624536800000000 ] - [ 0.0091612300000000, 0.0345233200000000, -0.0598520700000000 ] - [ 0.0003274500000000, 0.0040140500000000, -0.0008593000000000 ] - [ 0.0044208200000000, 0.0030423600000000, -0.0029348400000000 ] - [ -0.0006393500000000, 0.0040128500000000, -0.0000546100000000 ] - [ 0.0042272000000000, 0.0022379500000000, -0.0029170600000000 ] - [ -0.0047332900000000, -0.0369158700000000, -0.0567307400000000 ] - [ 0.0101450800000000, -0.0348677800000000, -0.0625103700000000 ] - [ -0.0001678800000000, -0.0357114400000000, -0.0606062100000000 ] - [ 0.0053002100000000, -0.0345775900000000, -0.0612912200000000 ] - [ 0.0049293200000000, -0.0092934800000000, -0.0019737500000000 ] - [ 0.0073979700000000, 0.0068399500000000, -0.0228614100000000 ] - [ 0.0005215000000000, 0.0016726800000000, -0.0112328600000000 ] - [ -0.0002320400000000, -0.0017528600000000, -0.0123733900000000 ] - [ -0.0200752500000000, 0.0034343300000000, -0.0117325500000000 ] - [ 0.0043480700000000, -0.0017249300000000, -0.0109223700000000 ] - [ -0.0036309400000000, -0.0016028300000000, -0.0126176800000000 ] - [ 0.0024499100000000, -0.0022523100000000, -0.0111492600000000 ] - [ -0.0430654100000000, -0.0104617100000000, 0.0216796000000000 ] - [ 0.0230240400000000, 0.0094492400000000, 0.0259418700000000 ] - [ -0.0028120500000000, 0.0128488600000000, 0.0274122100000000 ] - [ 0.0023138300000000, 0.0141739500000000, 0.0278287500000000 ] - [ -0.0306741000000000, -0.0040120900000000, 0.0236096800000000 ] - [ 0.0241124800000000, 0.0075579000000000, 0.0272822100000000 ] - [ -0.0038069300000000, 0.0100775700000000, 0.0270961500000000 ] - [ 0.0023671500000000, 0.0116070700000000, 0.0266166500000000 ] - [ -0.0048880300000000, -0.0027805700000000, 0.0030602200000000 ] - [ 0.0002221400000000, -0.0019299800000000, -0.0015004900000000 ] - [ -0.0221360600000000, 0.0156566000000000, 0.0015530700000000 ] - [ 0.0019438300000000, -0.0012064500000000, -0.0016143600000000 ] - [ 0.0015605100000000, 0.0009048900000000, -0.0000681100000000 ] - [ 0.0013544300000000, -0.0033258700000000, -0.0006530900000000 ] - [ 0.0068072300000000, -0.0159429300000000, 0.0082414100000000 ] - [ 0.0072953500000000, 0.0094508200000000, -0.0102994700000000 ] - [ 0.0037167500000000, -0.0106476700000000, -0.0116786100000000 ] - [ 0.0084385400000000, 0.0082972900000000, 0.0136636700000000 ] - [ 0.0006013500000000, 0.0005113600000000, 0.0000436500000000 ] - [ 0.0010434300000000, -0.0020957800000000, -0.0002240200000000 ] - [ -0.0107185100000000, 0.0228061400000000, -0.0600231100000000 ] - [ 0.0044658600000000, 0.0207493400000000, -0.0617562900000000 ] - [ -0.0042978700000000, 0.0201124800000000, -0.0590823700000000 ] - [ 0.0034371300000000, 0.0222927600000000, -0.0617389300000000 ] - [ -0.0010663200000000, -0.0064594700000000, 0.0025972900000000 ] - [ 0.0029777100000000, -0.0035391800000000, 0.0050612400000000 ] - [ -0.0018521700000000, -0.0019960400000000, 0.0055183100000000 ] - [ 0.0032751800000000, -0.0034974900000000, 0.0050170800000000 ] - [ -0.0018866400000000, -0.0009267900000000, 0.0050384500000000 ] - [ -0.0003107600000000, -0.0036589800000000, 0.0016400200000000 ] - [ -0.0012714900000000, -0.0020672100000000, 0.0058864500000000 ] - [ -0.0005374000000000, -0.0016189300000000, 0.0021678800000000 ] - [ 0.0001606900000000, -0.0005395600000000, -0.0133814900000000 ] - [ -0.0010449400000000, 0.0012200400000000, -0.0102726500000000 ] - [ -0.0002148400000000, 0.0013042300000000, -0.0127073200000000 ] - [ -0.0007450300000000, -0.0005627000000000, -0.0100643500000000 ] - [ -0.0017097800000000, 0.0012178500000000, -0.0131023100000000 ] - [ 0.0020618200000000, 0.0022236800000000, -0.0112571100000000 ] - [ -0.0016415600000000, 0.0012831000000000, -0.0094256100000000 ] - [ 0.0019703100000000, 0.0018843600000000, -0.0111137600000000 ] - [ -0.0016557400000000, -0.0138364600000000, 0.0273258300000000 ] - [ 0.0012239600000000, -0.0138904400000000, 0.0277389500000000 ] - [ -0.0021683600000000, -0.0127499600000000, 0.0271835300000000 ] - [ 0.0014863300000000, -0.0144119100000000, 0.0280271900000000 ] - [ -0.0040621500000000, -0.0110134700000000, 0.0267191500000000 ] - [ 0.0021715200000000, -0.0114259300000000, 0.0265886000000000 ] - [ -0.0041959600000000, -0.0114688500000000, 0.0269610300000000 ] - [ 0.0024846400000000, -0.0110399800000000, 0.0267321900000000 ] - [ -0.0037403000000000, 0.0021821800000000, 0.0006441400000000 ] - [ 0.0001536900000000, 0.0015872400000000, -0.0013133000000000 ] - [ -0.0025337400000000, 0.0009179800000000, -0.0006411000000000 ] - [ -0.0004714900000000, 0.0016081300000000, -0.0009857900000000 ] - [ 0.0001315900000000, 0.0001730400000000, -0.0037277400000000 ] - [ 0.0018861200000000, 0.0030719200000000, 0.0015186600000000 ] - [ 0.0004518900000000, 0.0016657600000000, -0.0014766900000000 ] - [ 0.0012508000000000, 0.0011281200000000, -0.0012811800000000 ] - [ 0.0006982200000000, -0.0012661000000000, 0.0019431200000000 ] - [ 0.0009233900000000, 0.0029428700000000, -0.0027122300000000 ] - [ 0.0017109900000000, 0.0019345500000000, 0.0010779600000000 ] - [ 0.0005420200000000, 0.0000973300000000, -0.0006156100000000 ] - [ -0.0079434700000000, -0.0225857700000000, -0.0664647000000000 ] - [ 0.0050835800000000, -0.0214701900000000, -0.0591487400000000 ] - [ -0.0039428300000000, -0.0236372400000000, -0.0629395500000000 ] - [ 0.0012394900000000, -0.0208497100000000, -0.0602692800000000 ] - [ -0.0157386000000000, 0.0052461900000000, -0.0010345100000000 ] - [ 0.0052645600000000, 0.0035083600000000, 0.0051351400000000 ] - [ -0.0030249200000000, 0.0056122800000000, 0.0035546400000000 ] - [ 0.0036757500000000, 0.0029117600000000, 0.0053135500000000 ] - [ 0.0043136100000000, -0.0009139000000000, -0.0066927900000000 ] - [ 0.0052437600000000, 0.0033292800000000, 0.0128860400000000 ] - [ 0.0003473900000000, 0.0041527600000000, 0.0026612200000000 ] - [ -0.0010930300000000, 0.0010942100000000, 0.0042229500000000 ]- atom: 21 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0267444600000000, 0.0302787000000000, -0.0051678800000000 ] - [ 0.0016390200000000, 0.0055747400000000, 0.0049364200000000 ] - [ -0.0211049400000000, 0.0257308400000000, 0.0205434000000000 ] - [ 0.0036617400000000, 0.0071909300000000, 0.0060206400000000 ] - [ -0.0078629000000000, -0.0148226700000000, -0.0008169800000000 ] - [ -0.0008627700000000, -0.0040451700000000, -0.0045099100000000 ] - [ -0.0003814600000000, 0.0053507300000000, -0.0058704900000000 ] - [ -0.0014094700000000, -0.0003399900000000, -0.0050398300000000 ] - [ 0.0030195400000000, -0.0119958000000000, 0.0079624000000000 ] - [ 0.0019347200000000, -0.0080797700000000, 0.0047416400000000 ] - [ 0.0013528800000000, -0.0006562500000000, 0.0030786300000000 ] - [ 0.0020520400000000, -0.0041202900000000, 0.0042669100000000 ] - [ -0.0156995700000000, 0.0186709900000000, -0.0136131400000000 ] - [ 0.0000006600000000, 0.0034386200000000, -0.0052110500000000 ] - [ 0.0132137500000000, 0.0130600400000000, 0.0126318700000000 ] - [ -0.0017362800000000, 0.0007821300000000, -0.0049952000000000 ] - [ 0.0125012000000000, -0.0336813100000000, -0.0267393800000000 ] - [ 0.0081781400000000, -0.0317324600000000, -0.0247426800000000 ] - [ -0.0093622500000000, -0.0124666700000000, -0.0246859500000000 ] - [ -0.0113931500000000, -0.0120357900000000, -0.0255441700000000 ] - [ 0.0251342300000000, -0.3231503600000000, -0.0609301600000000 ] - [ 0.0142995700000000, -0.0152327000000000, -0.0234304500000000 ] - [ 0.0074829200000000, 0.0046899200000000, -0.0202400600000000 ] - [ 0.0095938300000000, -0.0140085600000000, -0.0232929500000000 ] - [ 0.0112512200000000, -0.0305009200000000, 0.0656114700000000 ] - [ 0.0271421900000000, -0.0222159200000000, 0.0686143800000000 ] - [ 0.0323705400000000, -0.0222520700000000, 0.0644916400000000 ] - [ 0.0114185700000000, -0.0280567000000000, 0.0666823800000000 ] - [ -0.0211691700000000, 0.0110231800000000, 0.0900148600000000 ] - [ -0.0212739800000000, -0.0233792200000000, 0.0678405700000000 ] - [ -0.0053604300000000, 0.0140380700000000, 0.0082769500000000 ] - [ -0.0210613000000000, -0.0231420800000000, 0.0684239500000000 ] - [ -0.0111490300000000, 0.0188204600000000, -0.0240602100000000 ] - [ -0.0082733900000000, 0.0194487300000000, -0.0248193800000000 ] - [ -0.0087036500000000, 0.0155727300000000, -0.0278001000000000 ] - [ -0.0109260800000000, 0.0159594700000000, -0.0268391700000000 ] - [ 0.0096046400000000, 0.0189974700000000, -0.0213094500000000 ] - [ 0.0095295000000000, 0.0156089000000000, -0.0232319200000000 ] - [ 0.0084695600000000, 0.0099639100000000, -0.0272204300000000 ] - [ 0.0098804300000000, 0.0144859400000000, -0.0243329400000000 ] - [ -0.0161452900000000, -0.0265523500000000, 0.0468613200000000 ] - [ -0.0203921900000000, 0.0226020500000000, 0.0683932300000000 ] - [ -0.0213405000000000, 0.0319114300000000, 0.0699005600000000 ] - [ -0.0220859700000000, 0.0235150100000000, 0.0685298400000000 ] - [ 0.0168401600000000, 0.0229257500000000, 0.0689494700000000 ] - [ 0.0234814900000000, 0.0223225100000000, 0.0647016000000000 ] - [ 0.0200210400000000, 0.0284716300000000, 0.0676087900000000 ] - [ 0.0181079200000000, 0.0292183000000000, 0.0671774100000000 ] - [ -0.0173467900000000, 0.0582081800000000, 0.0759923400000000 ] - [ 0.0022081900000000, -0.0017534200000000, -0.0013711100000000 ] - [ 0.0007337700000000, -0.0178741200000000, -0.0072776900000000 ] - [ 0.0024550100000000, -0.0037510400000000, -0.0024799800000000 ] - [ 0.0146635700000000, 0.0307077500000000, -0.0625731800000000 ] - [ -0.0006549200000000, 0.0341475100000000, -0.0613439400000000 ] - [ -0.0132261100000000, 0.0364097700000000, -0.0549496400000000 ] - [ 0.0045477200000000, 0.0360667800000000, -0.0607260900000000 ] - [ 0.0020476000000000, 0.0078458500000000, 0.0033615600000000 ] - [ 0.0024615300000000, 0.0028856100000000, -0.0021888800000000 ] - [ 0.0032778400000000, -0.0005977800000000, -0.0036513000000000 ] - [ 0.0024750700000000, 0.0026908300000000, -0.0017257400000000 ] - [ 0.0066086700000000, -0.0270911500000000, -0.0612085400000000 ] - [ 0.0002188600000000, -0.0342277900000000, -0.0607695800000000 ] - [ 0.0018554000000000, -0.0387617500000000, -0.0600359900000000 ] - [ 0.0027685500000000, -0.0357936500000000, -0.0607515200000000 ] - [ 0.0003310500000000, 0.0053016900000000, -0.0151350700000000 ] - [ -0.0041202900000000, 0.0001519700000000, -0.0096467400000000 ] - [ -0.0018390200000000, -0.0029335000000000, -0.0114840600000000 ] - [ 0.0013221000000000, -0.0027067300000000, -0.0115106800000000 ] - [ -0.0103263000000000, 0.0557515300000000, -0.0253683600000000 ] - [ -0.0003649500000000, -0.0018559000000000, -0.0117777200000000 ] - [ -0.0001793900000000, -0.0101109100000000, -0.0132473700000000 ] - [ 0.0000851600000000, -0.0021267000000000, -0.0115700100000000 ] - [ 0.0114552500000000, 0.0383840100000000, 0.0342034900000000 ] - [ -0.0056609200000000, 0.0162359600000000, 0.0282636100000000 ] - [ -0.0007424700000000, 0.0097737600000000, 0.0263129200000000 ] - [ -0.0001162400000000, 0.0128617200000000, 0.0274678500000000 ] - [ -0.0049352300000000, 0.0334848900000000, 0.0292696000000000 ] - [ -0.0076643400000000, 0.0129211200000000, 0.0266344600000000 ] - [ 0.0011856900000000, 0.0068750500000000, 0.0272036600000000 ] - [ -0.0012420900000000, 0.0105692200000000, 0.0267322000000000 ] - [ 0.0000062400000000, -0.0130962000000000, 0.0010616400000000 ] - [ -0.0015642100000000, -0.0022167100000000, 0.0001565900000000 ] - [ -0.0318952100000000, 0.0669854200000000, 0.0013102400000000 ] - [ -0.0022464100000000, -0.0007889100000000, -0.0011244000000000 ] - [ -0.0008546900000000, -0.0049301700000000, -0.0014710300000000 ] - [ 0.0015469500000000, -0.0034041000000000, 0.0008353200000000 ] - [ 0.0045217900000000, 0.0053754800000000, -0.0025672500000000 ] - [ -0.0022759600000000, -0.0015057700000000, -0.0024295600000000 ] - [ 0.0005693400000000, 0.0056599700000000, 0.0057042600000000 ] - [ -0.0015103100000000, -0.0011909600000000, -0.0023217100000000 ] - [ -0.0000161200000000, -0.0039591700000000, -0.0018914800000000 ] - [ 0.0013089500000000, -0.0019358000000000, -0.0008006900000000 ] - [ -0.0094695700000000, 0.0194930800000000, -0.0640385200000000 ] - [ 0.0003032300000000, 0.0229088300000000, -0.0612198200000000 ] - [ 0.0075275000000000, 0.0171393700000000, -0.0556491300000000 ] - [ -0.0051108100000000, 0.0204868000000000, -0.0601116000000000 ] - [ 0.0002700300000000, -0.0115354800000000, -0.0011251200000000 ] - [ 0.0008919500000000, -0.0044596700000000, 0.0044308700000000 ] - [ 0.0008155300000000, 0.0046913600000000, 0.0108997400000000 ] - [ 0.0011134200000000, -0.0031930300000000, 0.0051836800000000 ] - [ -0.0015637900000000, -0.0036919600000000, 0.0026531600000000 ] - [ -0.0002969600000000, -0.0036886600000000, 0.0024056400000000 ] - [ -0.0009049600000000, -0.0006119800000000, 0.0045564200000000 ] - [ -0.0018294200000000, 0.0005485500000000, 0.0058796500000000 ] - [ 0.0003089900000000, 0.0003530800000000, -0.0124022500000000 ] - [ -0.0013791800000000, 0.0006040300000000, -0.0124532500000000 ] - [ -0.0015649800000000, -0.0003669400000000, -0.0091097900000000 ] - [ 0.0002246500000000, 0.0003884400000000, -0.0106457100000000 ] - [ 0.0005067900000000, 0.0009175000000000, -0.0161959000000000 ] - [ 0.0003447800000000, 0.0022184700000000, -0.0116415500000000 ] - [ -0.0000312200000000, -0.0008265500000000, -0.0027358700000000 ] - [ 0.0000728500000000, 0.0018295100000000, -0.0110112200000000 ] - [ 0.0009896300000000, -0.0148133800000000, 0.0275035900000000 ] - [ -0.0009649100000000, -0.0141950300000000, 0.0276105900000000 ] - [ -0.0010162500000000, -0.0117630800000000, 0.0278187900000000 ] - [ 0.0000061700000000, -0.0133474300000000, 0.0277836000000000 ] - [ -0.0021440900000000, -0.0117101300000000, 0.0264350800000000 ] - [ -0.0003246300000000, -0.0112179500000000, 0.0266700700000000 ] - [ 0.0004452200000000, -0.0106248700000000, 0.0272367300000000 ] - [ -0.0018639300000000, -0.0111161000000000, 0.0270557000000000 ] - [ -0.0029338500000000, 0.0088719100000000, 0.0051019600000000 ] - [ -0.0015992700000000, 0.0021300000000000, -0.0000495400000000 ] - [ -0.0016619700000000, -0.0021123500000000, -0.0026604900000000 ] - [ -0.0015415100000000, 0.0010081000000000, -0.0007866500000000 ] - [ 0.0005607000000000, 0.0033950700000000, -0.0000376300000000 ] - [ 0.0011385800000000, 0.0029703000000000, 0.0000730200000000 ] - [ 0.0010542600000000, 0.0002639800000000, -0.0017352400000000 ] - [ 0.0008937200000000, 0.0004355500000000, -0.0018796800000000 ] - [ 0.0014249600000000, 0.0021910700000000, -0.0000344500000000 ] - [ 0.0001689400000000, 0.0006849000000000, -0.0000052500000000 ] - [ -0.0001423000000000, -0.0003756700000000, -0.0008372500000000 ] - [ 0.0009699100000000, 0.0004333500000000, 0.0000500700000000 ] - [ -0.0051259500000000, -0.0151917600000000, -0.0549579600000000 ] - [ -0.0018713900000000, -0.0211592900000000, -0.0613272400000000 ] - [ -0.0009155300000000, -0.0258287900000000, -0.0637698300000000 ] - [ -0.0014388000000000, -0.0223173000000000, -0.0612993900000000 ] - [ -0.0024035200000000, 0.0248847800000000, -0.0126309900000000 ] - [ 0.0003252200000000, 0.0044066900000000, 0.0044451700000000 ] - [ 0.0024787300000000, -0.0051076400000000, 0.0054215500000000 ] - [ 0.0009571900000000, 0.0035469800000000, 0.0045994800000000 ] - [ 0.0002611200000000, 0.0067868200000000, 0.0049045000000000 ] - [ -0.0034518000000000, 0.0034994800000000, 0.0009159700000000 ] - [ -0.0033766400000000, -0.0020430000000000, 0.0044670400000000 ] - [ -0.0002313600000000, 0.0003420800000000, 0.0033223300000000 ]- atom: 21 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0234820900000000, -0.0179497900000000, 0.0150818500000000 ] - [ 0.0018031300000000, 0.0069305900000000, 0.0047877000000000 ] - [ 0.0242182100000000, -0.0129809600000000, -0.0105988100000000 ] - [ -0.0002043700000000, 0.0053058600000000, 0.0037117400000000 ] - [ 0.0047369000000000, 0.0105525900000000, -0.0089265900000000 ] - [ -0.0021878800000000, -0.0001439000000000, -0.0052943600000000 ] - [ -0.0026527300000000, -0.0094578100000000, -0.0039512900000000 ] - [ -0.0016412500000000, -0.0038230600000000, -0.0047740500000000 ] - [ 0.0004622000000000, -0.0005427700000000, 0.0018203700000000 ] - [ 0.0015112600000000, -0.0044332200000000, 0.0049978100000000 ] - [ 0.0021065400000000, -0.0117926700000000, 0.0066433100000000 ] - [ 0.0013962200000000, -0.0083619900000000, 0.0054651000000000 ] - [ 0.0126334500000000, -0.0144421100000000, 0.0038383400000000 ] - [ -0.0030560600000000, 0.0007480100000000, -0.0046003400000000 ] - [ -0.0160348200000000, -0.0088080800000000, -0.0222741700000000 ] - [ -0.0013227300000000, 0.0033873900000000, -0.0048180600000000 ] - [ -0.0318557700000000, -0.0018692000000000, -0.0242531800000000 ] - [ -0.0273486000000000, -0.0038646200000000, -0.0262536400000000 ] - [ -0.0099066300000000, -0.0230219500000000, -0.0263133000000000 ] - [ -0.0079510200000000, -0.0234453500000000, -0.0254559400000000 ] - [ -0.0058937600000000, 0.2916753800000000, 0.0156197700000000 ] - [ 0.0043765300000000, -0.0151291700000000, -0.0236827200000000 ] - [ 0.0112146300000000, -0.0349548500000000, -0.0268390200000000 ] - [ 0.0090853100000000, -0.0163380100000000, -0.0238262800000000 ] - [ 0.0286840100000000, -0.0218783500000000, 0.0683462200000000 ] - [ 0.0129274400000000, -0.0300829000000000, 0.0653493200000000 ] - [ 0.0077573500000000, -0.0300811900000000, 0.0694673600000000 ] - [ 0.0285416900000000, -0.0242958200000000, 0.0672653500000000 ] - [ -0.0233114300000000, -0.0566805000000000, 0.0465261300000000 ] - [ -0.0233261100000000, -0.0226126900000000, 0.0687359300000000 ] - [ -0.0390741600000000, -0.0596874000000000, 0.1276348500000000 ] - [ -0.0235378300000000, -0.0228565500000000, 0.0681546700000000 ] - [ -0.0081603300000000, 0.0167149300000000, -0.0268970600000000 ] - [ -0.0110155500000000, 0.0160857000000000, -0.0261510100000000 ] - [ -0.0105861900000000, 0.0199355300000000, -0.0231909500000000 ] - [ -0.0083847800000000, 0.0195554600000000, -0.0241473100000000 ] - [ 0.0090854800000000, 0.0113781300000000, -0.0257506900000000 ] - [ 0.0091508400000000, 0.0147491000000000, -0.0238726800000000 ] - [ 0.0102176200000000, 0.0203567500000000, -0.0198786500000000 ] - [ 0.0088021200000000, 0.0158665600000000, -0.0227801700000000 ] - [ -0.0283898000000000, 0.0722339900000000, 0.0896828400000000 ] - [ -0.0242064300000000, 0.0233856500000000, 0.0681823000000000 ] - [ -0.0232304000000000, 0.0141516300000000, 0.0667407900000000 ] - [ -0.0225162500000000, 0.0224842600000000, 0.0680524200000000 ] - [ 0.0231933600000000, 0.0293786700000000, 0.0650102100000000 ] - [ 0.0165273500000000, 0.0300048600000000, 0.0692709100000000 ] - [ 0.0200185500000000, 0.0238840600000000, 0.0663707100000000 ] - [ 0.0218770600000000, 0.0231501500000000, 0.0668104700000000 ] - [ 0.0232599400000000, -0.0646159900000000, -0.0828096700000000 ] - [ 0.0031647500000000, -0.0037748100000000, -0.0027529300000000 ] - [ 0.0046103200000000, 0.0122495400000000, 0.0031602300000000 ] - [ 0.0029161300000000, -0.0017891900000000, -0.0016466300000000 ] - [ -0.0094683100000000, 0.0394687600000000, -0.0592181200000000 ] - [ 0.0057049900000000, 0.0360622800000000, -0.0604372800000000 ] - [ 0.0181756500000000, 0.0338139900000000, -0.0667548100000000 ] - [ 0.0005400600000000, 0.0341594200000000, -0.0610450700000000 ] - [ 0.0033232400000000, -0.0022698600000000, -0.0074584000000000 ] - [ 0.0029112100000000, 0.0026557200000000, -0.0019434700000000 ] - [ 0.0020906000000000, 0.0061208300000000, -0.0005219300000000 ] - [ 0.0028968000000000, 0.0028485400000000, -0.0024028700000000 ] - [ -0.0015533800000000, -0.0430858100000000, -0.0605909400000000 ] - [ 0.0048564800000000, -0.0359890900000000, -0.0610076300000000 ] - [ 0.0031866500000000, -0.0314795600000000, -0.0617417100000000 ] - [ 0.0023159600000000, -0.0344336000000000, -0.0610254400000000 ] - [ -0.0016346900000000, -0.0062690000000000, -0.0080945900000000 ] - [ 0.0028078300000000, -0.0011076800000000, -0.0136063300000000 ] - [ 0.0005069200000000, 0.0019683000000000, -0.0117697100000000 ] - [ -0.0026139600000000, 0.0017369000000000, -0.0117470600000000 ] - [ 0.0117631000000000, -0.0631158700000000, 0.0055880600000000 ] - [ 0.0011686000000000, -0.0021688500000000, -0.0111473100000000 ] - [ 0.0009674600000000, 0.0060102300000000, -0.0097297100000000 ] - [ 0.0007158600000000, -0.0018967500000000, -0.0113612900000000 ] - [ -0.0120507000000000, -0.0109626700000000, 0.0210624600000000 ] - [ 0.0051489100000000, 0.0113811000000000, 0.0270149900000000 ] - [ 0.0002036500000000, 0.0178055900000000, 0.0289633800000000 ] - [ -0.0003707300000000, 0.0147299800000000, 0.0278161200000000 ] - [ 0.0033783700000000, -0.0108239100000000, 0.0241898000000000 ] - [ 0.0058531300000000, 0.0096124100000000, 0.0268887000000000 ] - [ -0.0029894400000000, 0.0156396100000000, 0.0263287700000000 ] - [ -0.0006000200000000, 0.0119738000000000, 0.0267958200000000 ] - [ -0.0029166500000000, 0.0100294300000000, -0.0021275800000000 ] - [ -0.0013047600000000, -0.0008496600000000, -0.0012761000000000 ] - [ 0.0272528500000000, -0.0649792900000000, -0.0043655800000000 ] - [ -0.0006240000000000, -0.0022580100000000, -0.0000086600000000 ] - [ 0.0024417900000000, 0.0017698400000000, -0.0008963600000000 ] - [ 0.0000389600000000, 0.0002437300000000, -0.0031958600000000 ] - [ -0.0029021100000000, -0.0084470700000000, 0.0001785600000000 ] - [ 0.0038385900000000, -0.0015969900000000, 0.0000201900000000 ] - [ 0.0006503600000000, -0.0071155200000000, -0.0061031800000000 ] - [ 0.0027236600000000, -0.0002868500000000, 0.0018902200000000 ] - [ 0.0012401600000000, 0.0024758100000000, 0.0014690400000000 ] - [ -0.0000699800000000, 0.0004666800000000, 0.0003870000000000 ] - [ 0.0066582100000000, 0.0238148500000000, -0.0579476200000000 ] - [ -0.0029767500000000, 0.0204452600000000, -0.0607548200000000 ] - [ -0.0102051400000000, 0.0261756600000000, -0.0662762800000000 ] - [ 0.0023931600000000, 0.0228491400000000, -0.0618493600000000 ] - [ 0.0021534000000000, 0.0037615800000000, 0.0105279800000000 ] - [ 0.0015525800000000, -0.0032000200000000, 0.0050442100000000 ] - [ 0.0016085800000000, -0.0122581800000000, -0.0013942000000000 ] - [ 0.0013324300000000, -0.0044544500000000, 0.0042994000000000 ] - [ -0.0009206100000000, -0.0003345400000000, 0.0046715500000000 ] - [ -0.0021694600000000, -0.0003476200000000, 0.0049014800000000 ] - [ -0.0015726900000000, -0.0033879400000000, 0.0027836600000000 ] - [ -0.0006488900000000, -0.0045350000000000, 0.0014668000000000 ] - [ -0.0016147800000000, 0.0005835100000000, -0.0108679700000000 ] - [ 0.0000554700000000, 0.0003428000000000, -0.0108111100000000 ] - [ 0.0002390200000000, 0.0013083400000000, -0.0141368300000000 ] - [ -0.0015392700000000, 0.0005576400000000, -0.0126070000000000 ] - [ 0.0002939300000000, 0.0030750100000000, -0.0067807400000000 ] - [ 0.0004578000000000, 0.0018042900000000, -0.0112938400000000 ] - [ 0.0008233500000000, 0.0048355800000000, -0.0201581300000000 ] - [ 0.0007277700000000, 0.0021909900000000, -0.0119203600000000 ] - [ -0.0014856800000000, -0.0127922800000000, 0.0277751300000000 ] - [ 0.0004610800000000, -0.0134067400000000, 0.0276712500000000 ] - [ 0.0005008600000000, -0.0158129800000000, 0.0274570900000000 ] - [ -0.0005019000000000, -0.0142484600000000, 0.0274998600000000 ] - [ 0.0002923500000000, -0.0108393200000000, 0.0270850600000000 ] - [ -0.0015039600000000, -0.0113289700000000, 0.0268535000000000 ] - [ -0.0022744400000000, -0.0119196600000000, 0.0262901000000000 ] - [ 0.0000235600000000, -0.0114302800000000, 0.0264714300000000 ] - [ 0.0000578700000000, -0.0057759200000000, -0.0062154500000000 ] - [ -0.0012694900000000, 0.0009311800000000, -0.0010776500000000 ] - [ -0.0012099100000000, 0.0051298400000000, 0.0014970500000000 ] - [ -0.0013273000000000, 0.0020447000000000, -0.0003460100000000 ] - [ 0.0010216000000000, -0.0002498900000000, -0.0023492600000000 ] - [ 0.0004438300000000, 0.0001770700000000, -0.0024527000000000 ] - [ 0.0005305300000000, 0.0028604300000000, -0.0006612100000000 ] - [ 0.0006885800000000, 0.0026891000000000, -0.0005187500000000 ] - [ -0.0001936200000000, -0.0007111400000000, -0.0003897600000000 ] - [ 0.0010612100000000, 0.0007898400000000, -0.0004215900000000 ] - [ 0.0013668300000000, 0.0018415000000000, 0.0004095600000000 ] - [ 0.0002651800000000, 0.0010378100000000, -0.0004734500000000 ] - [ 0.0024237000000000, -0.0281262200000000, -0.0670145300000000 ] - [ -0.0008321100000000, -0.0221735100000000, -0.0606379400000000 ] - [ -0.0017784200000000, -0.0175574900000000, -0.0582364800000000 ] - [ -0.0012671100000000, -0.0210265700000000, -0.0606719400000000 ] - [ 0.0048030100000000, -0.0171862900000000, 0.0218570200000000 ] - [ 0.0021180400000000, 0.0032502300000000, 0.0050379100000000 ] - [ -0.0000437400000000, 0.0127261600000000, 0.0040340600000000 ] - [ 0.0014900700000000, 0.0041019800000000, 0.0048840800000000 ] - [ -0.0027195600000000, -0.0027304300000000, 0.0024444500000000 ] - [ 0.0009603000000000, 0.0005345100000000, 0.0064171800000000 ] - [ 0.0008910700000000, 0.0060344300000000, 0.0028688800000000 ] - [ -0.0022450200000000, 0.0036536600000000, 0.0040130200000000 ]- atom: 21 displacement: [ 0.0000055737063633, 0.0000000000000000, 0.0099999984466897 ] forces: - [ -0.0145858200000000, -0.0102232400000000, -0.0023830800000000 ] - [ 0.0027750300000000, 0.0042982900000000, 0.0027101800000000 ] - [ -0.0098562900000000, 0.0242404400000000, -0.0079994300000000 ] - [ 0.0027974700000000, 0.0072484600000000, 0.0034783200000000 ] - [ -0.0168384500000000, -0.0101722500000000, 0.0149070100000000 ] - [ -0.0011703400000000, -0.0021081500000000, -0.0043901900000000 ] - [ -0.0027157600000000, 0.0007811400000000, -0.0018303200000000 ] - [ -0.0012536400000000, -0.0014844800000000, -0.0044284900000000 ] - [ 0.0073837100000000, -0.0087549000000000, 0.0175088600000000 ] - [ 0.0005211600000000, -0.0072334200000000, 0.0072380600000000 ] - [ 0.0041904600000000, -0.0046649100000000, 0.0082444900000000 ] - [ 0.0004302400000000, -0.0058425600000000, 0.0062886800000000 ] - [ 0.0094971000000000, -0.0142267100000000, -0.0015608600000000 ] - [ -0.0022849500000000, 0.0014698400000000, -0.0053201300000000 ] - [ 0.0163317000000000, 0.0214380700000000, -0.0005996900000000 ] - [ -0.0024821800000000, 0.0032798900000000, -0.0053940700000000 ] - [ 0.0012569100000000, -0.0200253300000000, -0.0398800300000000 ] - [ -0.0130607300000000, -0.0160637200000000, -0.0340895000000000 ] - [ -0.0102675500000000, -0.0154380800000000, -0.0326173700000000 ] - [ -0.0088418000000000, -0.0174987900000000, -0.0292769700000000 ] - [ 0.0286048200000000, -0.0497858500000000, -0.3762679500000000 ] - [ 0.0104506900000000, -0.0150506900000000, -0.0262139300000000 ] - [ 0.0090543600000000, -0.0118877900000000, -0.0382917200000000 ] - [ 0.0089514400000000, -0.0149106800000000, -0.0253819600000000 ] - [ 0.0043784000000000, -0.0312994900000000, 0.0658848500000000 ] - [ 0.0307643100000000, -0.0236620800000000, 0.0649840400000000 ] - [ 0.0098656100000000, -0.0281417300000000, 0.0648931100000000 ] - [ 0.0251349400000000, -0.0257841600000000, 0.0661827600000000 ] - [ -0.0138854500000000, 0.0430806300000000, 0.0958910000000000 ] - [ -0.0237602900000000, -0.0234232500000000, 0.0677006600000000 ] - [ -0.0287325500000000, -0.0476597300000000, 0.0920873300000000 ] - [ -0.0230913500000000, -0.0227767500000000, 0.0677619300000000 ] - [ -0.0093866000000000, 0.0173572800000000, -0.0158060300000000 ] - [ -0.0093573300000000, 0.0172760400000000, -0.0206439000000000 ] - [ -0.0104514600000000, 0.0201211100000000, -0.0174702400000000 ] - [ -0.0102085200000000, 0.0191099200000000, -0.0215228200000000 ] - [ 0.0082616000000000, 0.0129206300000000, -0.0024481600000000 ] - [ 0.0088645700000000, 0.0148571700000000, -0.0209582700000000 ] - [ 0.0107792600000000, 0.0188952800000000, -0.0083293100000000 ] - [ 0.0091128600000000, 0.0159583100000000, -0.0216392900000000 ] - [ -0.0181503600000000, -0.0006095200000000, 0.1415586800000000 ] - [ -0.0219037600000000, 0.0225298800000000, 0.0690281700000000 ] - [ -0.0227618800000000, 0.0236293600000000, 0.0697005300000000 ] - [ -0.0223037900000000, 0.0229408000000000, 0.0686097800000000 ] - [ 0.0350722200000000, 0.0224769100000000, 0.0708268900000000 ] - [ 0.0082952500000000, 0.0272401400000000, 0.0704442600000000 ] - [ 0.0229423100000000, 0.0261132400000000, 0.0680985600000000 ] - [ 0.0182164900000000, 0.0262756300000000, 0.0686221000000000 ] - [ -0.0305499000000000, 0.0580944100000000, 0.1557646600000000 ] - [ 0.0026966800000000, -0.0011306900000000, -0.0003784200000000 ] - [ 0.0031409600000000, 0.0037165200000000, 0.0025349600000000 ] - [ 0.0026720900000000, -0.0022938400000000, -0.0013132000000000 ] - [ 0.0229497900000000, 0.0291026500000000, -0.0631263200000000 ] - [ -0.0001936600000000, 0.0343601700000000, -0.0612964800000000 ] - [ 0.0119022300000000, 0.0404459700000000, -0.0620497700000000 ] - [ 0.0012858500000000, 0.0348290100000000, -0.0609319300000000 ] - [ 0.0022855400000000, 0.0175954700000000, -0.0166099300000000 ] - [ 0.0028543900000000, 0.0043056400000000, -0.0036260700000000 ] - [ 0.0037488100000000, 0.0009147300000000, -0.0088525200000000 ] - [ 0.0029152100000000, 0.0029724400000000, -0.0028010700000000 ] - [ -0.0140361100000000, -0.0338858700000000, -0.0674419800000000 ] - [ 0.0062670400000000, -0.0356697600000000, -0.0608788200000000 ] - [ 0.0008411800000000, -0.0325875900000000, -0.0618241300000000 ] - [ 0.0033763300000000, -0.0350986200000000, -0.0610259000000000 ] - [ -0.0042869500000000, -0.0006286600000000, -0.0091600500000000 ] - [ 0.0008068600000000, -0.0019010100000000, -0.0096999300000000 ] - [ -0.0023432100000000, -0.0033735000000000, -0.0091383900000000 ] - [ 0.0003671100000000, -0.0018403000000000, -0.0107590000000000 ] - [ 0.0078894600000000, -0.0414105400000000, 0.0430080900000000 ] - [ 0.0001559100000000, -0.0022124900000000, -0.0106388700000000 ] - [ 0.0008684700000000, -0.0068922700000000, -0.0062560600000000 ] - [ 0.0004931500000000, -0.0025740000000000, -0.0108041200000000 ] - [ 0.0065998200000000, 0.0240143900000000, 0.0482822700000000 ] - [ -0.0000901700000000, 0.0140012000000000, 0.0291107600000000 ] - [ 0.0009833900000000, 0.0151790100000000, 0.0311165600000000 ] - [ -0.0000319100000000, 0.0138549200000000, 0.0283284200000000 ] - [ -0.0053161300000000, 0.0106526400000000, 0.0472188200000000 ] - [ -0.0040587600000000, 0.0117096500000000, 0.0281521400000000 ] - [ -0.0028635400000000, 0.0095386400000000, 0.0289307000000000 ] - [ -0.0004933700000000, 0.0107513200000000, 0.0276369900000000 ] - [ -0.0044429700000000, -0.0101539700000000, 0.0128690700000000 ] - [ -0.0014451300000000, -0.0019130700000000, 0.0004972000000000 ] - [ 0.0032636800000000, -0.0041361300000000, 0.0192504800000000 ] - [ -0.0015432300000000, -0.0021126500000000, 0.0003849400000000 ] - [ 0.0009596400000000, -0.0022954200000000, 0.0019261400000000 ] - [ 0.0021685700000000, -0.0036754500000000, 0.0030516300000000 ] - [ -0.0001372500000000, -0.0026882300000000, 0.0014184700000000 ] - [ 0.0011181100000000, -0.0051864900000000, 0.0038595400000000 ] - [ 0.0023498400000000, 0.0038456600000000, 0.0074961100000000 ] - [ 0.0006043200000000, 0.0012524800000000, 0.0029345700000000 ] - [ 0.0017973200000000, 0.0005330900000000, 0.0023705600000000 ] - [ 0.0003413300000000, 0.0000088900000000, 0.0008651900000000 ] - [ -0.0175486900000000, 0.0181631200000000, -0.0650664900000000 ] - [ 0.0035129600000000, 0.0234941400000000, -0.0617520200000000 ] - [ -0.0063473000000000, 0.0234927900000000, -0.0630743600000000 ] - [ 0.0013969500000000, 0.0224352900000000, -0.0612802400000000 ] - [ -0.0009532600000000, -0.0134512000000000, -0.0097999100000000 ] - [ 0.0015091600000000, -0.0038804900000000, 0.0039084100000000 ] - [ 0.0003695700000000, -0.0003126400000000, -0.0025238200000000 ] - [ 0.0014452400000000, -0.0037947600000000, 0.0041924800000000 ] - [ -0.0026345200000000, -0.0024122000000000, 0.0020505700000000 ] - [ 0.0009191200000000, -0.0035996300000000, -0.0007683000000000 ] - [ -0.0024358700000000, -0.0013535600000000, 0.0025309000000000 ] - [ 0.0010327000000000, -0.0012060600000000, 0.0013422400000000 ] - [ 0.0017430200000000, -0.0017325600000000, -0.0153777100000000 ] - [ -0.0018545200000000, -0.0000627200000000, -0.0132246200000000 ] - [ 0.0007983000000000, -0.0007740700000000, -0.0145982100000000 ] - [ -0.0012803600000000, -0.0003291300000000, -0.0129191000000000 ] - [ -0.0007571100000000, -0.0041844600000000, -0.0246398000000000 ] - [ 0.0006353100000000, 0.0017518800000000, -0.0123483000000000 ] - [ 0.0001677500000000, 0.0009199000000000, -0.0174050000000000 ] - [ 0.0005603200000000, 0.0015004000000000, -0.0122256800000000 ] - [ -0.0012249300000000, -0.0124704500000000, 0.0244428900000000 ] - [ -0.0004780700000000, -0.0136214300000000, 0.0268896200000000 ] - [ -0.0009950500000000, -0.0114313200000000, 0.0231187600000000 ] - [ -0.0001683900000000, -0.0139054400000000, 0.0269517600000000 ] - [ -0.0003472700000000, -0.0118441300000000, 0.0242122900000000 ] - [ -0.0003675400000000, -0.0113453500000000, 0.0256342400000000 ] - [ -0.0004165600000000, -0.0123863900000000, 0.0248969200000000 ] - [ -0.0006624200000000, -0.0117838900000000, 0.0258087500000000 ] - [ 0.0007740400000000, -0.0057426900000000, -0.0146671400000000 ] - [ -0.0013162100000000, 0.0008265500000000, -0.0018619600000000 ] - [ -0.0009716600000000, 0.0008051200000000, -0.0037184400000000 ] - [ -0.0012206500000000, 0.0014065300000000, -0.0012558000000000 ] - [ 0.0011714800000000, 0.0001100600000000, -0.0042860400000000 ] - [ -0.0008747200000000, -0.0013867100000000, -0.0063131100000000 ] - [ 0.0005548600000000, 0.0011362600000000, -0.0026552500000000 ] - [ 0.0005227600000000, 0.0005284700000000, -0.0031928000000000 ] - [ -0.0013586300000000, 0.0042870000000000, -0.0052831400000000 ] - [ 0.0014502300000000, 0.0029278400000000, -0.0026289700000000 ] - [ -0.0008060500000000, 0.0007457200000000, -0.0034266800000000 ] - [ 0.0007206500000000, 0.0010631000000000, -0.0011961100000000 ] - [ 0.0110199000000000, -0.0186581600000000, -0.0660452500000000 ] - [ -0.0057482400000000, -0.0200067000000000, -0.0606395100000000 ] - [ -0.0002321200000000, -0.0226231300000000, -0.0620023700000000 ] - [ -0.0023347300000000, -0.0214166500000000, -0.0609327700000000 ] - [ 0.0007259700000000, -0.0000808600000000, -0.0035874200000000 ] - [ 0.0012052100000000, 0.0035905900000000, 0.0055858500000000 ] - [ 0.0012593600000000, 0.0083927800000000, 0.0071239200000000 ] - [ 0.0010958900000000, 0.0041638600000000, 0.0051733400000000 ] - [ 0.0020516400000000, 0.0023902300000000, 0.0047603600000000 ] - [ -0.0038295000000000, 0.0013266200000000, 0.0067360300000000 ] - [ 0.0006303400000000, 0.0043644700000000, 0.0036917400000000 ] - [ -0.0025612400000000, 0.0031455000000000, 0.0053434000000000 ]- atom: 21 displacement: [ -0.0000055737063633, 0.0000000000000000, -0.0099999984466897 ] forces: - [ 0.0179093400000000, 0.0226353300000000, 0.0119864100000000 ] - [ 0.0006746000000000, 0.0082100000000000, 0.0069814700000000 ] - [ 0.0132172000000000, -0.0116214100000000, 0.0175175500000000 ] - [ 0.0006603500000000, 0.0052661700000000, 0.0062181700000000 ] - [ 0.0138666500000000, 0.0059551500000000, -0.0248231000000000 ] - [ -0.0018751300000000, -0.0020633800000000, -0.0054095700000000 ] - [ -0.0003430400000000, -0.0049325000000000, -0.0079594200000000 ] - [ -0.0017918500000000, -0.0026835300000000, -0.0053786000000000 ] - [ -0.0039565100000000, -0.0037737400000000, -0.0077822400000000 ] - [ 0.0029263900000000, -0.0052830900000000, 0.0024935500000000 ] - [ -0.0007312600000000, -0.0078472000000000, 0.0014953100000000 ] - [ 0.0030133400000000, -0.0066588000000000, 0.0034343000000000 ] - [ -0.0124459800000000, 0.0182681500000000, -0.0082445500000000 ] - [ -0.0007656100000000, 0.0027013100000000, -0.0044998700000000 ] - [ -0.0191820000000000, -0.0170765400000000, -0.0092317400000000 ] - [ -0.0005675300000000, 0.0008959400000000, -0.0044265200000000 ] - [ -0.0206374800000000, -0.0154715900000000, -0.0111693500000000 ] - [ -0.0060763200000000, -0.0194724300000000, -0.0169506400000000 ] - [ -0.0090219900000000, -0.0200633700000000, -0.0184025400000000 ] - [ -0.0104513900000000, -0.0180202100000000, -0.0217341600000000 ] - [ -0.0123821000000000, 0.0268976000000000, 0.3358136800000000 ] - [ 0.0082126500000000, -0.0152908300000000, -0.0208891500000000 ] - [ 0.0096212200000000, -0.0184697400000000, -0.0088801500000000 ] - [ 0.0097250500000000, -0.0154283400000000, -0.0217235000000000 ] - [ 0.0356139800000000, -0.0210815300000000, 0.0680797300000000 ] - [ 0.0092938400000000, -0.0286378400000000, 0.0690010800000000 ] - [ 0.0301679400000000, -0.0242039500000000, 0.0690873400000000 ] - [ 0.0149534300000000, -0.0265484500000000, 0.0678108400000000 ] - [ -0.0306892800000000, -0.0890950200000000, 0.0406519200000000 ] - [ -0.0208495300000000, -0.0225889600000000, 0.0688716400000000 ] - [ -0.0160398200000000, 0.0016328000000000, 0.0448072300000000 ] - [ -0.0215028900000000, -0.0232392500000000, 0.0688119100000000 ] - [ -0.0098822600000000, 0.0181549800000000, -0.0351077900000000 ] - [ -0.0099601100000000, 0.0182287900000000, -0.0303074700000000 ] - [ -0.0088318400000000, 0.0154204000000000, -0.0334655500000000 ] - [ -0.0091016600000000, 0.0164282000000000, -0.0294309800000000 ] - [ 0.0103933900000000, 0.0173460700000000, -0.0444569000000000 ] - [ 0.0098090600000000, 0.0154819200000000, -0.0261142500000000 ] - [ 0.0079141900000000, 0.0115348600000000, -0.0386605600000000 ] - [ 0.0095662700000000, 0.0143897800000000, -0.0254396900000000 ] - [ -0.0264273300000000, 0.0463725200000000, -0.0040355500000000 ] - [ -0.0226936500000000, 0.0234792600000000, 0.0675379800000000 ] - [ -0.0218462800000000, 0.0223983800000000, 0.0668679300000000 ] - [ -0.0222983000000000, 0.0230722400000000, 0.0679608200000000 ] - [ 0.0051193400000000, 0.0298016900000000, 0.0631357600000000 ] - [ 0.0316284300000000, 0.0251166400000000, 0.0635225700000000 ] - [ 0.0171191700000000, 0.0262286600000000, 0.0658698700000000 ] - [ 0.0218027000000000, 0.0260658000000000, 0.0653495800000000 ] - [ 0.0381380400000000, -0.0692754200000000, -0.1685538100000000 ] - [ 0.0026794300000000, -0.0043984600000000, -0.0037493500000000 ] - [ 0.0022518500000000, -0.0091891200000000, -0.0066389300000000 ] - [ 0.0027001000000000, -0.0032400200000000, -0.0028140700000000 ] - [ -0.0177828200000000, 0.0411466200000000, -0.0586320600000000 ] - [ 0.0052474700000000, 0.0358470000000000, -0.0604892400000000 ] - [ -0.0067827100000000, 0.0296886900000000, -0.0597223900000000 ] - [ 0.0037603300000000, 0.0353863400000000, -0.0608498700000000 ] - [ 0.0030795100000000, -0.0118940900000000, 0.0123121600000000 ] - [ 0.0025199100000000, 0.0012418900000000, -0.0005148400000000 ] - [ 0.0016303800000000, 0.0045963600000000, 0.0046783900000000 ] - [ 0.0024587200000000, 0.0025670700000000, -0.0013346200000000 ] - [ 0.0189307200000000, -0.0363141300000000, -0.0543894500000000 ] - [ -0.0011704100000000, -0.0345558400000000, -0.0608936700000000 ] - [ 0.0042114600000000, -0.0376183000000000, -0.0599577500000000 ] - [ 0.0016979500000000, -0.0351218300000000, -0.0607522400000000 ] - [ 0.0029568800000000, -0.0003450700000000, -0.0140312600000000 ] - [ -0.0021169800000000, 0.0009384500000000, -0.0135157300000000 ] - [ 0.0010083600000000, 0.0024022900000000, -0.0140941300000000 ] - [ -0.0016723200000000, 0.0008797900000000, -0.0124858900000000 ] - [ -0.0066331800000000, 0.0346010300000000, -0.0642300200000000 ] - [ 0.0006462200000000, -0.0018159800000000, -0.0122778500000000 ] - [ -0.0000609500000000, 0.0028272700000000, -0.0166338800000000 ] - [ 0.0003074500000000, -0.0014534700000000, -0.0121212200000000 ] - [ -0.0075675800000000, 0.0032843600000000, 0.0066817300000000 ] - [ -0.0004198000000000, 0.0135994500000000, 0.0261750500000000 ] - [ -0.0014810700000000, 0.0124294600000000, 0.0241902500000000 ] - [ -0.0004686400000000, 0.0137430600000000, 0.0269635900000000 ] - [ 0.0040272400000000, 0.0118382200000000, 0.0061237900000000 ] - [ 0.0022672500000000, 0.0108152700000000, 0.0253817700000000 ] - [ 0.0010180300000000, 0.0129976700000000, 0.0246182800000000 ] - [ -0.0013472100000000, 0.0117881600000000, 0.0259005100000000 ] - [ 0.0015576800000000, 0.0070993300000000, -0.0139178300000000 ] - [ -0.0014254300000000, -0.0011502000000000, -0.0016187000000000 ] - [ -0.0063131000000000, 0.0020289600000000, -0.0211417700000000 ] - [ -0.0013281300000000, -0.0009431200000000, -0.0015091400000000 ] - [ 0.0006305700000000, -0.0008464000000000, -0.0042945000000000 ] - [ -0.0005769300000000, 0.0005258800000000, -0.0054079900000000 ] - [ 0.0016951300000000, -0.0004191200000000, -0.0038092900000000 ] - [ 0.0004769300000000, 0.0020715400000000, -0.0062483900000000 ] - [ -0.0011429600000000, -0.0053116200000000, -0.0079174800000000 ] - [ 0.0006034300000000, -0.0027278300000000, -0.0033774800000000 ] - [ -0.0005672100000000, -0.0020035400000000, -0.0027892300000000 ] - [ 0.0008843100000000, -0.0014702600000000, -0.0012820800000000 ] - [ 0.0147745000000000, 0.0251923000000000, -0.0569160500000000 ] - [ -0.0061898600000000, 0.0198559700000000, -0.0602233600000000 ] - [ 0.0035888400000000, 0.0198683500000000, -0.0589363500000000 ] - [ -0.0041011200000000, 0.0209033100000000, -0.0606885900000000 ] - [ 0.0033876300000000, 0.0057516900000000, 0.0191547700000000 ] - [ 0.0009346100000000, -0.0037723100000000, 0.0055614200000000 ] - [ 0.0020564200000000, -0.0073743800000000, 0.0119600400000000 ] - [ 0.0009971400000000, -0.0038546200000000, 0.0052822400000000 ] - [ 0.0001523400000000, -0.0015985700000000, 0.0052665800000000 ] - [ -0.0033894300000000, -0.0004207600000000, 0.0080640000000000 ] - [ -0.0000400400000000, -0.0026629800000000, 0.0047915200000000 ] - [ -0.0035076300000000, -0.0028000500000000, 0.0059806300000000 ] - [ -0.0030566600000000, 0.0026720000000000, -0.0078981800000000 ] - [ 0.0005397900000000, 0.0010097800000000, -0.0100397500000000 ] - [ -0.0021173000000000, 0.0017139500000000, -0.0086691000000000 ] - [ -0.0000424000000000, 0.0012716800000000, -0.0103493800000000 ] - [ 0.0015559900000000, 0.0082024700000000, 0.0016513900000000 ] - [ 0.0001659200000000, 0.0022704200000000, -0.0105896100000000 ] - [ 0.0006371300000000, 0.0031121300000000, -0.0056273700000000 ] - [ 0.0002391100000000, 0.0025211100000000, -0.0107118500000000 ] - [ 0.0006964800000000, -0.0151100500000000, 0.0308202200000000 ] - [ -0.0000190500000000, -0.0139720500000000, 0.0283902800000000 ] - [ 0.0004806500000000, -0.0161652900000000, 0.0321458300000000 ] - [ -0.0003306400000000, -0.0136931600000000, 0.0283293900000000 ] - [ -0.0014629300000000, -0.0106915600000000, 0.0293038600000000 ] - [ -0.0014735400000000, -0.0111964100000000, 0.0278900200000000 ] - [ -0.0014080300000000, -0.0101700300000000, 0.0286224900000000 ] - [ -0.0011817100000000, -0.0107631100000000, 0.0277171700000000 ] - [ -0.0036326100000000, 0.0087359300000000, 0.0134446600000000 ] - [ -0.0015550100000000, 0.0022288000000000, 0.0007269300000000 ] - [ -0.0018926400000000, 0.0022652300000000, 0.0025715700000000 ] - [ -0.0016490300000000, 0.0016525500000000, 0.0001234200000000 ] - [ 0.0004266700000000, 0.0030121600000000, 0.0018909400000000 ] - [ 0.0024456900000000, 0.0045051000000000, 0.0039000000000000 ] - [ 0.0010320400000000, 0.0020017800000000, 0.0002665000000000 ] - [ 0.0010594500000000, 0.0026022900000000, 0.0007983900000000 ] - [ 0.0025671500000000, -0.0027854100000000, 0.0048268200000000 ] - [ -0.0002110300000000, -0.0014451000000000, 0.0021926200000000 ] - [ 0.0020228300000000, 0.0007203800000000, 0.0029805300000000 ] - [ 0.0005100000000000, 0.0004080200000000, 0.0007677200000000 ] - [ -0.0136154100000000, -0.0246333300000000, -0.0559469100000000 ] - [ 0.0030038900000000, -0.0233150000000000, -0.0613148000000000 ] - [ -0.0024615100000000, -0.0207224100000000, -0.0599689400000000 ] - [ -0.0003816900000000, -0.0219211200000000, -0.0610343300000000 ] - [ 0.0015117400000000, 0.0082782400000000, 0.0142029400000000 ] - [ 0.0012374400000000, 0.0040573200000000, 0.0039028700000000 ] - [ 0.0011867800000000, -0.0007279100000000, 0.0023783400000000 ] - [ 0.0013482600000000, 0.0034838900000000, 0.0043123700000000 ] - [ -0.0045067800000000, 0.0016241500000000, 0.0026086100000000 ] - [ 0.0013091100000000, 0.0026767000000000, 0.0006243900000000 ] - [ -0.0031014400000000, -0.0003447500000000, 0.0036477700000000 ] - [ 0.0000745200000000, 0.0008614500000000, 0.0020031400000000 ]- atom: 25 displacement: [ 0.0099999993466229, 0.0000000000000000, -0.0000036149054082 ] forces: - [ 0.0076885600000000, 0.0055969900000000, 0.0010984400000000 ] - [ 0.0013521500000000, 0.0090785100000000, 0.0170847400000000 ] - [ 0.0053403900000000, 0.0054474500000000, 0.0039772100000000 ] - [ -0.0011615300000000, 0.0055822300000000, 0.0055070700000000 ] - [ -0.0024428900000000, -0.0231716600000000, 0.0041639200000000 ] - [ 0.0047417600000000, 0.0015129000000000, -0.0064463100000000 ] - [ -0.0073070100000000, 0.0284661100000000, 0.0098734200000000 ] - [ 0.0029387000000000, -0.0059633400000000, -0.0060524300000000 ] - [ 0.0081158600000000, -0.0102940900000000, 0.0082327200000000 ] - [ -0.0012842000000000, 0.0201177500000000, -0.0222257500000000 ] - [ 0.0090250100000000, -0.0024931700000000, 0.0063757400000000 ] - [ 0.0003147700000000, -0.0164290100000000, 0.0001958300000000 ] - [ -0.0064737000000000, 0.0041031600000000, -0.0073843900000000 ] - [ 0.0020685500000000, 0.0014280300000000, -0.0040503600000000 ] - [ -0.0046191600000000, 0.0008877200000000, -0.0059511600000000 ] - [ 0.0009505500000000, 0.0022112600000000, -0.0043363400000000 ] - [ -0.0279841800000000, -0.0189303900000000, -0.0337858900000000 ] - [ 0.0021739800000000, -0.0198741300000000, -0.0247831500000000 ] - [ -0.0291718600000000, -0.0349271500000000, -0.0167307300000000 ] - [ -0.0008083900000000, -0.0194514400000000, -0.0248298200000000 ] - [ 0.0138690400000000, -0.0238937500000000, -0.0391817200000000 ] - [ 0.0088813900000000, -0.0080550000000000, -0.0127862500000000 ] - [ 0.0081574200000000, -0.0028551500000000, -0.0337202200000000 ] - [ 0.0142827200000000, -0.0237680300000000, -0.0184551100000000 ] - [ -0.2897013800000000, -0.0515153800000000, 0.0622837600000000 ] - [ 0.0501595700000000, -0.0206144000000000, 0.0658690600000000 ] - [ 0.0111848500000000, -0.0284076700000000, 0.0678479800000000 ] - [ 0.0277593400000000, -0.0253631800000000, 0.0668111000000000 ] - [ 0.0674894300000000, -0.0525148900000000, 0.0650711000000000 ] - [ 0.0640297100000000, -0.0409714400000000, 0.0770760700000000 ] - [ -0.0221400200000000, -0.0216521900000000, 0.0706696800000000 ] - [ -0.0212168500000000, -0.0222079100000000, 0.0676916100000000 ] - [ -0.0339154700000000, 0.0257914500000000, -0.0314011600000000 ] - [ 0.0003425600000000, 0.0197606100000000, -0.0261643800000000 ] - [ -0.0163938000000000, 0.0183602600000000, -0.0246167000000000 ] - [ -0.0040071800000000, 0.0183467700000000, -0.0255409100000000 ] - [ 0.0121957200000000, 0.0183630000000000, -0.0085774900000000 ] - [ 0.0134165500000000, 0.0116988300000000, -0.0352608400000000 ] - [ 0.0098351500000000, 0.0151874700000000, -0.0206455800000000 ] - [ 0.0099455400000000, 0.0170756200000000, -0.0253579400000000 ] - [ -0.0229300300000000, 0.0205649600000000, 0.0670243400000000 ] - [ -0.0208646200000000, 0.0248162000000000, 0.0676680700000000 ] - [ -0.0236568000000000, 0.0240335800000000, 0.0689775900000000 ] - [ -0.0209656700000000, 0.0217649300000000, 0.0680671200000000 ] - [ 0.0127630000000000, 0.0275566500000000, 0.0651268800000000 ] - [ 0.0267508500000000, 0.0252102700000000, 0.0669602300000000 ] - [ 0.0140481900000000, 0.0257679900000000, 0.0687629100000000 ] - [ 0.0252519400000000, 0.0256590300000000, 0.0670670300000000 ] - [ -0.0029024000000000, 0.0182073000000000, 0.0102400300000000 ] - [ -0.0052504300000000, -0.0146080500000000, -0.0116875500000000 ] - [ 0.0010283800000000, -0.0079722500000000, -0.0010677800000000 ] - [ 0.0019690700000000, -0.0007206600000000, -0.0012473300000000 ] - [ 0.1170367400000000, 0.0758767700000000, -0.0659431600000000 ] - [ -0.0275749700000000, 0.0396561800000000, -0.0600969900000000 ] - [ 0.0084508200000000, 0.0372197400000000, -0.0604676100000000 ] - [ -0.0026330300000000, 0.0339320700000000, -0.0611617600000000 ] - [ 0.0034492600000000, 0.0051147900000000, -0.0058195200000000 ] - [ 0.0015172800000000, 0.0007790200000000, 0.0013386800000000 ] - [ 0.0030814200000000, 0.0032015700000000, -0.0028285900000000 ] - [ 0.0022269900000000, 0.0025243300000000, -0.0015173400000000 ] - [ 0.0075508100000000, -0.0352375300000000, -0.0604762500000000 ] - [ -0.0023862000000000, -0.0349322000000000, -0.0609994400000000 ] - [ 0.0073900700000000, -0.0360129400000000, -0.0609025700000000 ] - [ -0.0012435200000000, -0.0345128800000000, -0.0610891900000000 ] - [ 0.0023903100000000, -0.0026537500000000, -0.0101728500000000 ] - [ -0.0029021500000000, -0.0004843500000000, -0.0113951300000000 ] - [ 0.0018222900000000, 0.0025657200000000, -0.0156710500000000 ] - [ -0.0023881200000000, -0.0004736700000000, -0.0114355900000000 ] - [ 0.0000537100000000, -0.0032195600000000, -0.0077804400000000 ] - [ -0.0002002000000000, -0.0017137000000000, -0.0135506000000000 ] - [ 0.0005724600000000, -0.0035433700000000, -0.0089832400000000 ] - [ -0.0000001000000000, -0.0005143300000000, -0.0136074600000000 ] - [ 0.0068518600000000, 0.0150803600000000, 0.0286168400000000 ] - [ -0.0073429200000000, 0.0130949800000000, 0.0268069700000000 ] - [ 0.0112509100000000, 0.0123101500000000, 0.0293731100000000 ] - [ -0.0057147500000000, 0.0150270900000000, 0.0269478400000000 ] - [ -0.0103034000000000, 0.0119663900000000, 0.0280507700000000 ] - [ 0.0080017900000000, 0.0073695400000000, 0.0252329300000000 ] - [ -0.0068102600000000, 0.0106362900000000, 0.0273406000000000 ] - [ 0.0011655900000000, 0.0138468500000000, 0.0253099800000000 ] - [ -0.0104773800000000, -0.0129370900000000, 0.0161182600000000 ] - [ -0.0080281000000000, 0.0076927100000000, -0.0097163200000000 ] - [ -0.0023707700000000, 0.0018398400000000, -0.0012764600000000 ] - [ -0.0010158500000000, -0.0038893200000000, 0.0001182600000000 ] - [ -0.0032575200000000, -0.0017745000000000, -0.0030067900000000 ] - [ 0.0308547200000000, -0.0061687300000000, 0.0189999100000000 ] - [ -0.0009357400000000, -0.0013757300000000, -0.0020068600000000 ] - [ 0.0030999500000000, 0.0003454200000000, -0.0009474400000000 ] - [ 0.0216289100000000, -0.0079149800000000, 0.0008484300000000 ] - [ -0.0031527800000000, -0.0018517600000000, -0.0016824100000000 ] - [ 0.0050083000000000, 0.0010227100000000, 0.0042123600000000 ] - [ -0.0011083600000000, -0.0002921500000000, -0.0011402700000000 ] - [ -0.0288438500000000, 0.0270723500000000, -0.0631210200000000 ] - [ 0.0118374000000000, 0.0318969700000000, -0.0611467700000000 ] - [ -0.0058216600000000, 0.0207433000000000, -0.0606089000000000 ] - [ 0.0025901300000000, 0.0233076800000000, -0.0616935100000000 ] - [ -0.0090617600000000, -0.0119732000000000, -0.0060889200000000 ] - [ -0.0057657400000000, 0.0037393200000000, 0.0118922100000000 ] - [ 0.0007227700000000, -0.0025295000000000, 0.0032123000000000 ] - [ -0.0013382400000000, -0.0074752000000000, 0.0045821700000000 ] - [ -0.0058513000000000, -0.0010292900000000, 0.0053418900000000 ] - [ 0.0279938200000000, -0.0083779000000000, -0.0008491500000000 ] - [ -0.0038989500000000, -0.0010627500000000, 0.0043347200000000 ] - [ 0.0037961000000000, -0.0044954200000000, 0.0021445300000000 ] - [ 0.0238114000000000, -0.0001739500000000, -0.0190108900000000 ] - [ -0.0048227200000000, 0.0002429600000000, -0.0111612300000000 ] - [ 0.0037419000000000, -0.0011023100000000, -0.0128025800000000 ] - [ -0.0030580500000000, 0.0009190800000000, -0.0110672800000000 ] - [ -0.0057022000000000, 0.0047811200000000, -0.0235730400000000 ] - [ -0.0072818000000000, 0.0025054000000000, -0.0041699200000000 ] - [ -0.0018917700000000, -0.0007689400000000, -0.0131709700000000 ] - [ 0.0002475300000000, 0.0028324100000000, -0.0109417700000000 ] - [ 0.0084116100000000, -0.0125008500000000, 0.0232936500000000 ] - [ -0.0061553300000000, -0.0141518500000000, 0.0291745400000000 ] - [ 0.0028998100000000, -0.0122398600000000, 0.0262031400000000 ] - [ -0.0031916800000000, -0.0147993900000000, 0.0283294300000000 ] - [ -0.0080859300000000, -0.0122058600000000, 0.0252837100000000 ] - [ 0.0060665100000000, -0.0088528300000000, 0.0318999400000000 ] - [ -0.0045246800000000, -0.0120260000000000, 0.0262738200000000 ] - [ 0.0024817200000000, -0.0107443900000000, 0.0270560500000000 ] - [ -0.0015950000000000, 0.0023493900000000, -0.0010124000000000 ] - [ -0.0032978000000000, -0.0002046900000000, 0.0020247400000000 ] - [ -0.0020181500000000, -0.0009841200000000, -0.0033240300000000 ] - [ -0.0013730600000000, 0.0035357800000000, 0.0017026300000000 ] - [ -0.0008468700000000, 0.0018246000000000, -0.0022709100000000 ] - [ 0.0040535300000000, 0.0007628500000000, 0.0014354700000000 ] - [ -0.0008961100000000, 0.0016390000000000, -0.0019940800000000 ] - [ 0.0030887300000000, 0.0009006200000000, 0.0005847000000000 ] - [ 0.0028666700000000, -0.0005664300000000, 0.0019424900000000 ] - [ -0.0008867000000000, 0.0005973900000000, -0.0006705000000000 ] - [ 0.0018062100000000, 0.0015027900000000, -0.0004363700000000 ] - [ -0.0004033000000000, 0.0007240900000000, -0.0006700000000000 ] - [ -0.0048972200000000, -0.0204752700000000, -0.0601504400000000 ] - [ 0.0021551000000000, -0.0234448900000000, -0.0618236900000000 ] - [ -0.0040718900000000, -0.0212444600000000, -0.0606898000000000 ] - [ 0.0008790600000000, -0.0218962100000000, -0.0614708300000000 ] - [ 0.0006854800000000, 0.0056195100000000, 0.0077186300000000 ] - [ 0.0011865800000000, 0.0025506900000000, 0.0029126300000000 ] - [ 0.0014617500000000, 0.0027215300000000, 0.0070014700000000 ] - [ 0.0002764300000000, 0.0052230600000000, 0.0029455200000000 ] - [ -0.0033629500000000, 0.0017101000000000, 0.0041640900000000 ] - [ 0.0014049500000000, 0.0030213400000000, 0.0053294800000000 ] - [ -0.0033095900000000, 0.0012692200000000, 0.0040219200000000 ] - [ 0.0013579100000000, 0.0037903900000000, 0.0000371600000000 ]- atom: 25 displacement: [ -0.0099999993466229, 0.0000000000000000, 0.0000036149054082 ] forces: - [ -0.0042217800000000, 0.0069003900000000, 0.0086149000000000 ] - [ 0.0020621900000000, 0.0034214100000000, -0.0073088800000000 ] - [ -0.0018750400000000, 0.0070517100000000, 0.0057451300000000 ] - [ 0.0045934900000000, 0.0069296500000000, 0.0042172500000000 ] - [ -0.0006578700000000, 0.0191694100000000, -0.0140201100000000 ] - [ -0.0077663100000000, -0.0056701600000000, -0.0033745000000000 ] - [ 0.0041580300000000, -0.0328483800000000, -0.0197315300000000 ] - [ -0.0059697700000000, 0.0017705600000000, -0.0037627500000000 ] - [ -0.0046505300000000, -0.0022105300000000, 0.0014979100000000 ] - [ 0.0047583300000000, -0.0323601000000000, 0.0317225100000000 ] - [ -0.0055461000000000, -0.0099921400000000, 0.0033527300000000 ] - [ 0.0031095500000000, 0.0038742200000000, 0.0095114400000000 ] - [ 0.0034208200000000, 0.0000677300000000, -0.0024317300000000 ] - [ -0.0051092900000000, 0.0027414400000000, -0.0057632600000000 ] - [ 0.0015631400000000, 0.0032907700000000, -0.0038702200000000 ] - [ -0.0039966100000000, 0.0019624700000000, -0.0054790100000000 ] - [ 0.0086085700000000, -0.0166192000000000, -0.0172512500000000 ] - [ -0.0214275100000000, -0.0156505200000000, -0.0261988100000000 ] - [ 0.0098421800000000, -0.0005180400000000, -0.0343354400000000 ] - [ -0.0184532000000000, -0.0160703500000000, -0.0261597100000000 ] - [ 0.0048134800000000, -0.0064419200000000, -0.0079321700000000 ] - [ 0.0098119600000000, -0.0222510200000000, -0.0342491500000000 ] - [ 0.0105176400000000, -0.0274504300000000, -0.0134140200000000 ] - [ 0.0043937000000000, -0.0066270500000000, -0.0286231700000000 ] - [ 0.3365662500000000, 0.0006330400000000, 0.0719313500000000 ] - [ -0.0100103800000000, -0.0316921600000000, 0.0680934100000000 ] - [ 0.0288131700000000, -0.0239175100000000, 0.0661503900000000 ] - [ 0.0122956100000000, -0.0269752000000000, 0.0671669800000000 ] - [ -0.1122538000000000, 0.0065281700000000, 0.0714501900000000 ] - [ -0.1080051200000000, -0.0050826300000000, 0.0594993100000000 ] - [ -0.0224602700000000, -0.0243326600000000, 0.0659189000000000 ] - [ -0.0233778500000000, -0.0237782900000000, 0.0688921800000000 ] - [ 0.0145638700000000, 0.0096965000000000, -0.0195031600000000 ] - [ -0.0196037400000000, 0.0157672500000000, -0.0248257500000000 ] - [ -0.0029254600000000, 0.0171733000000000, -0.0263791300000000 ] - [ -0.0152688900000000, 0.0171770600000000, -0.0254524400000000 ] - [ 0.0064573400000000, 0.0119900600000000, -0.0385156500000000 ] - [ 0.0053081500000000, 0.0186382600000000, -0.0119129800000000 ] - [ 0.0088446000000000, 0.0151709500000000, -0.0264565100000000 ] - [ 0.0087398700000000, 0.0132872000000000, -0.0217625200000000 ] - [ -0.0216710100000000, 0.0254314000000000, 0.0695395800000000 ] - [ -0.0237259100000000, 0.0211920500000000, 0.0688932300000000 ] - [ -0.0209420400000000, 0.0219668300000000, 0.0675934900000000 ] - [ -0.0236307300000000, 0.0242260800000000, 0.0684972000000000 ] - [ 0.0272350600000000, 0.0247884600000000, 0.0688218100000000 ] - [ 0.0132997000000000, 0.0271303300000000, 0.0670059600000000 ] - [ 0.0259576400000000, 0.0265714500000000, 0.0651816200000000 ] - [ 0.0147932300000000, 0.0266813300000000, 0.0669008400000000 ] - [ 0.0082768400000000, -0.0237060600000000, -0.0143500200000000 ] - [ 0.0105574400000000, 0.0090440400000000, 0.0075253100000000 ] - [ 0.0043455200000000, 0.0024075800000000, -0.0030793700000000 ] - [ 0.0034044200000000, -0.0048114400000000, -0.0028929800000000 ] - [ -0.1225362900000000, -0.0086246700000000, -0.0557391700000000 ] - [ 0.0325184700000000, 0.0305813700000000, -0.0616810500000000 ] - [ -0.0033712300000000, 0.0329895700000000, -0.0613162100000000 ] - [ 0.0076795900000000, 0.0362788400000000, -0.0606192500000000 ] - [ 0.0019268900000000, 0.0004274000000000, 0.0016802100000000 ] - [ 0.0038501800000000, 0.0047474600000000, -0.0054530000000000 ] - [ 0.0022928300000000, 0.0023357500000000, -0.0013036600000000 ] - [ 0.0031444700000000, 0.0030103800000000, -0.0026104100000000 ] - [ -0.0024694200000000, -0.0349819300000000, -0.0612977400000000 ] - [ 0.0074316400000000, -0.0352850700000000, -0.0607775500000000 ] - [ -0.0023156100000000, -0.0342029500000000, -0.0608724200000000 ] - [ 0.0062955700000000, -0.0357011500000000, -0.0606885000000000 ] - [ -0.0036998500000000, 0.0016863900000000, -0.0130639100000000 ] - [ 0.0015758200000000, -0.0004782900000000, -0.0118520500000000 ] - [ -0.0031395600000000, -0.0035502500000000, -0.0075367500000000 ] - [ 0.0010627100000000, -0.0004886500000000, -0.0118114900000000 ] - [ 0.0007486500000000, -0.0008218400000000, -0.0151407900000000 ] - [ 0.0009984500000000, -0.0023184000000000, -0.0093864900000000 ] - [ 0.0002283100000000, -0.0004952000000000, -0.0139331500000000 ] - [ 0.0008055000000000, -0.0035115900000000, -0.0093268100000000 ] - [ -0.0073298300000000, 0.0125001400000000, 0.0266417900000000 ] - [ 0.0068153700000000, 0.0145039400000000, 0.0284714600000000 ] - [ -0.0117887200000000, 0.0152943800000000, 0.0259184800000000 ] - [ 0.0051935200000000, 0.0125827800000000, 0.0283376400000000 ] - [ 0.0084326600000000, 0.0105714000000000, 0.0254722700000000 ] - [ -0.0097744200000000, 0.0151295100000000, 0.0282717200000000 ] - [ 0.0049516300000000, 0.0119009200000000, 0.0261928000000000 ] - [ -0.0029618100000000, 0.0087068500000000, 0.0282173600000000 ] - [ 0.0076021800000000, 0.0098420300000000, -0.0171640000000000 ] - [ 0.0051056400000000, -0.0107240300000000, 0.0085771100000000 ] - [ -0.0005026100000000, -0.0048819600000000, 0.0001468800000000 ] - [ -0.0018554400000000, 0.0008257600000000, -0.0012439600000000 ] - [ 0.0048349200000000, -0.0013659400000000, 0.0006284700000000 ] - [ -0.0297577400000000, 0.0030547200000000, -0.0215315300000000 ] - [ 0.0025161100000000, -0.0017547600000000, -0.0003832600000000 ] - [ -0.0015020600000000, -0.0034680900000000, -0.0014390500000000 ] - [ -0.0203323100000000, 0.0059612800000000, -0.0014045600000000 ] - [ 0.0043662100000000, 0.0003841400000000, 0.0012516200000000 ] - [ -0.0037822700000000, -0.0025115100000000, -0.0046516200000000 ] - [ 0.0023297200000000, -0.0011760600000000, 0.0007080500000000 ] - [ 0.0260565000000000, 0.0162562800000000, -0.0588279600000000 ] - [ -0.0099387800000000, 0.0130944500000000, -0.0615632800000000 ] - [ 0.0031040900000000, 0.0225942900000000, -0.0613606700000000 ] - [ -0.0052763600000000, 0.0200385200000000, -0.0602831200000000 ] - [ 0.0114975700000000, 0.0042890300000000, 0.0155184300000000 ] - [ 0.0081459200000000, -0.0113722200000000, -0.0023883200000000 ] - [ 0.0017215900000000, -0.0051334500000000, 0.0062640900000000 ] - [ 0.0037655800000000, -0.0002079100000000, 0.0048964100000000 ] - [ 0.0033559100000000, -0.0029914700000000, 0.0019919300000000 ] - [ -0.0307976800000000, 0.0047660100000000, 0.0087260700000000 ] - [ 0.0014119000000000, -0.0029559800000000, 0.0030018700000000 ] - [ -0.0062505300000000, 0.0004532600000000, 0.0051790700000000 ] - [ -0.0252389900000000, 0.0009529800000000, -0.0038356900000000 ] - [ 0.0034871400000000, 0.0007172700000000, -0.0120957000000000 ] - [ -0.0050527100000000, 0.0020566800000000, -0.0104561500000000 ] - [ 0.0017305700000000, 0.0000416000000000, -0.0121824800000000 ] - [ 0.0065288400000000, -0.0007576400000000, 0.0006221900000000 ] - [ 0.0080485300000000, 0.0015285700000000, -0.0187535400000000 ] - [ 0.0026876000000000, 0.0047884000000000, -0.0097681800000000 ] - [ 0.0005513400000000, 0.0012042700000000, -0.0119869800000000 ] - [ -0.0089130300000000, -0.0150932100000000, 0.0320014700000000 ] - [ 0.0056246000000000, -0.0134529200000000, 0.0261207700000000 ] - [ -0.0033895300000000, -0.0153675700000000, 0.0290872900000000 ] - [ 0.0026770200000000, -0.0128096200000000, 0.0269626800000000 ] - [ 0.0062297700000000, -0.0103390700000000, 0.0282430900000000 ] - [ -0.0078672200000000, -0.0136570500000000, 0.0216693900000000 ] - [ 0.0026758200000000, -0.0105197000000000, 0.0272543500000000 ] - [ -0.0043048600000000, -0.0117957000000000, 0.0264766100000000 ] - [ -0.0012792900000000, 0.0007071700000000, -0.0001099400000000 ] - [ 0.0004103900000000, 0.0032503900000000, -0.0031280600000000 ] - [ -0.0008541800000000, 0.0040351900000000, 0.0021941700000000 ] - [ -0.0015007600000000, -0.0004664800000000, -0.0028120400000000 ] - [ 0.0024295100000000, 0.0013116300000000, -0.0001114500000000 ] - [ -0.0024494800000000, 0.0023629800000000, -0.0037956500000000 ] - [ 0.0024778000000000, 0.0014968400000000, -0.0003891900000000 ] - [ -0.0014897700000000, 0.0022405200000000, -0.0029477800000000 ] - [ -0.0016320900000000, 0.0020356900000000, -0.0023688000000000 ] - [ 0.0021105400000000, 0.0008696800000000, 0.0002439500000000 ] - [ -0.0005723800000000, -0.0000424400000000, 0.0000237400000000 ] - [ 0.0016286100000000, 0.0007426700000000, 0.0002441200000000 ] - [ 0.0021837000000000, -0.0228650600000000, -0.0618165500000000 ] - [ -0.0048444600000000, -0.0199050500000000, -0.0601485300000000 ] - [ 0.0013597100000000, -0.0220982900000000, -0.0612789100000000 ] - [ -0.0035679500000000, -0.0214469900000000, -0.0604969500000000 ] - [ 0.0017541800000000, 0.0020418500000000, 0.0017781800000000 ] - [ 0.0012589300000000, 0.0051001300000000, 0.0065678700000000 ] - [ 0.0009837700000000, 0.0049334900000000, 0.0024889900000000 ] - [ 0.0021681400000000, 0.0024392400000000, 0.0065296800000000 ] - [ 0.0008763200000000, 0.0023071600000000, 0.0031793400000000 ] - [ -0.0038707300000000, 0.0010005800000000, 0.0020216400000000 ] - [ 0.0008231500000000, 0.0027460500000000, 0.0033178000000000 ] - [ -0.0038246200000000, 0.0002269500000000, 0.0073259000000000 ]- atom: 25 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0027400600000000, 0.0046262600000000, 0.0040999300000000 ] - [ -0.0019119400000000, -0.0056028200000000, 0.0021104700000000 ] - [ 0.0021214600000000, 0.0075722500000000, 0.0048499600000000 ] - [ 0.0024332300000000, 0.0131860700000000, 0.0055497000000000 ] - [ -0.0261727500000000, 0.0142862100000000, -0.0162483400000000 ] - [ 0.0004201800000000, -0.0008238800000000, -0.0058619700000000 ] - [ 0.0226831400000000, 0.0222419700000000, 0.0043174600000000 ] - [ -0.0021898600000000, -0.0027385600000000, -0.0051063200000000 ] - [ 0.0020010500000000, -0.0072547100000000, 0.0051726300000000 ] - [ 0.0163008800000000, 0.0059642200000000, -0.0114272100000000 ] - [ 0.0039306900000000, -0.0045339900000000, 0.0053611500000000 ] - [ -0.0149379200000000, 0.0099847800000000, 0.0119002800000000 ] - [ -0.0018454900000000, -0.0032417000000000, -0.0064615400000000 ] - [ -0.0011488600000000, 0.0007855100000000, -0.0046639500000000 ] - [ -0.0027668700000000, 0.0074098500000000, -0.0031621800000000 ] - [ -0.0011149700000000, 0.0034288400000000, -0.0044753200000000 ] - [ -0.0001514300000000, 0.0194310800000000, 0.0397416700000000 ] - [ -0.0073685800000000, -0.0180527700000000, -0.0253532300000000 ] - [ -0.0039560700000000, 0.0156396900000000, -0.0523792000000000 ] - [ -0.0083199700000000, -0.0182786100000000, -0.0251943300000000 ] - [ 0.0009150600000000, -0.0195169100000000, -0.0286958900000000 ] - [ 0.0197916400000000, -0.0112324600000000, -0.0210659100000000 ] - [ 0.0152187200000000, -0.0112318200000000, -0.0255358200000000 ] - [ 0.0031200300000000, -0.0170630200000000, -0.0231679800000000 ] - [ -0.0059248300000000, -0.2890146400000000, 0.0740822300000000 ] - [ 0.0255669500000000, -0.0251393400000000, 0.0671918700000000 ] - [ 0.0177599000000000, -0.0066375600000000, 0.0646134100000000 ] - [ 0.0208232400000000, -0.0253353500000000, 0.0667664100000000 ] - [ 0.0033546600000000, -0.0380356000000000, 0.0663772700000000 ] - [ -0.0004921700000000, -0.0372833300000000, 0.0716659500000000 ] - [ -0.0241222400000000, -0.0176849300000000, 0.0691450900000000 ] - [ -0.0228136600000000, -0.0178579200000000, 0.0672051000000000 ] - [ -0.0013862100000000, -0.0381282500000000, 0.0006439300000000 ] - [ -0.0079243800000000, 0.0173393800000000, -0.0256766500000000 ] - [ -0.0097120600000000, 0.0266107600000000, -0.0263576400000000 ] - [ -0.0090315700000000, 0.0183894900000000, -0.0254768200000000 ] - [ 0.0116594700000000, 0.0119465600000000, -0.0198777200000000 ] - [ 0.0075184700000000, 0.0113176700000000, -0.0246244900000000 ] - [ 0.0083389500000000, 0.0174849900000000, -0.0235014500000000 ] - [ 0.0094221500000000, 0.0182210600000000, -0.0236682400000000 ] - [ -0.0246413700000000, 0.0207884600000000, 0.0696554700000000 ] - [ -0.0205523000000000, 0.0216624100000000, 0.0697449500000000 ] - [ -0.0207372300000000, 0.0246171700000000, 0.0675349300000000 ] - [ -0.0237120900000000, 0.0238799100000000, 0.0680472200000000 ] - [ 0.0186238400000000, 0.0223723500000000, 0.0743630200000000 ] - [ 0.0209774900000000, 0.0257385400000000, 0.0675439300000000 ] - [ 0.0204163600000000, 0.0293139900000000, 0.0648628900000000 ] - [ 0.0205266000000000, 0.0263448400000000, 0.0668390600000000 ] - [ 0.0036700400000000, 0.0093512200000000, 0.0024308900000000 ] - [ -0.0007791900000000, -0.0035375000000000, -0.0022949800000000 ] - [ 0.0007767700000000, -0.0073028100000000, -0.0018401900000000 ] - [ 0.0034618700000000, -0.0042094800000000, -0.0030688300000000 ] - [ 0.0177807800000000, 0.0614057600000000, -0.0623792800000000 ] - [ -0.0045077500000000, 0.0367545400000000, -0.0611664200000000 ] - [ 0.0049067800000000, 0.0299685900000000, -0.0611147600000000 ] - [ 0.0022169700000000, 0.0340963800000000, -0.0609586500000000 ] - [ 0.0025976500000000, 0.0052081800000000, -0.0040045100000000 ] - [ 0.0027873900000000, 0.0040110800000000, -0.0029113900000000 ] - [ 0.0030847400000000, 0.0013087300000000, -0.0017398700000000 ] - [ 0.0028384700000000, 0.0017225700000000, -0.0016113100000000 ] - [ 0.0057594500000000, -0.0348153600000000, -0.0616364300000000 ] - [ 0.0014010800000000, -0.0350122500000000, -0.0610964400000000 ] - [ 0.0009086200000000, -0.0351867600000000, -0.0605848400000000 ] - [ 0.0026920700000000, -0.0349684000000000, -0.0609244400000000 ] - [ -0.0003109900000000, 0.0080448100000000, -0.0225605400000000 ] - [ -0.0009404700000000, -0.0000854000000000, -0.0119109400000000 ] - [ -0.0010974800000000, -0.0069680400000000, -0.0055865600000000 ] - [ -0.0009539300000000, -0.0007843600000000, -0.0115059800000000 ] - [ 0.0011381700000000, -0.0009696000000000, -0.0118049100000000 ] - [ -0.0003104700000000, -0.0001236100000000, -0.0132661700000000 ] - [ 0.0000274000000000, -0.0037651400000000, -0.0101328800000000 ] - [ 0.0010082900000000, -0.0029429700000000, -0.0110355700000000 ] - [ 0.0143353600000000, 0.0096719200000000, 0.0239137600000000 ] - [ -0.0034656800000000, 0.0130816700000000, 0.0271059600000000 ] - [ -0.0073500800000000, 0.0125775300000000, 0.0297034400000000 ] - [ 0.0001979900000000, 0.0143773300000000, 0.0277923400000000 ] - [ -0.0008118700000000, 0.0117752000000000, 0.0270131900000000 ] - [ -0.0154294100000000, 0.0117070200000000, 0.0215105600000000 ] - [ -0.0032963000000000, 0.0108624600000000, 0.0271480400000000 ] - [ 0.0069509500000000, 0.0068629100000000, 0.0290157500000000 ] - [ -0.0041195300000000, -0.0022931000000000, 0.0022418200000000 ] - [ -0.0004339500000000, 0.0029419000000000, -0.0046138000000000 ] - [ -0.0007842600000000, -0.0022551000000000, 0.0000840300000000 ] - [ -0.0022756000000000, -0.0044390800000000, 0.0010079800000000 ] - [ 0.0001193400000000, -0.0009932100000000, -0.0019497000000000 ] - [ -0.0148189600000000, 0.0336258500000000, -0.0453951300000000 ] - [ 0.0005684500000000, -0.0020889300000000, -0.0009521100000000 ] - [ 0.0000393300000000, -0.0147257200000000, 0.0038235300000000 ] - [ -0.0152595500000000, 0.0512186100000000, -0.0061849000000000 ] - [ -0.0001777600000000, -0.0007587900000000, -0.0002790700000000 ] - [ 0.0008931600000000, -0.0118409400000000, -0.0005363700000000 ] - [ 0.0003995200000000, -0.0009934000000000, -0.0005970200000000 ] - [ -0.0063427500000000, 0.0229604400000000, -0.0615006500000000 ] - [ 0.0054985400000000, 0.0362164500000000, -0.0639741000000000 ] - [ -0.0017087600000000, 0.0206844800000000, -0.0607919600000000 ] - [ -0.0010128800000000, 0.0169539600000000, -0.0590087100000000 ] - [ -0.0039102400000000, -0.0042135800000000, 0.0009513300000000 ] - [ 0.0035497100000000, 0.0016798700000000, 0.0071657800000000 ] - [ 0.0031083000000000, -0.0057247000000000, 0.0042421600000000 ] - [ -0.0006180000000000, -0.0070443700000000, 0.0042754500000000 ] - [ -0.0021995400000000, -0.0015697900000000, 0.0041167200000000 ] - [ -0.0081614100000000, 0.0518679600000000, 0.0128549200000000 ] - [ -0.0016324200000000, -0.0021615600000000, 0.0037344100000000 ] - [ -0.0001763800000000, -0.0104745400000000, 0.0053143400000000 ] - [ -0.0025082000000000, 0.0324101700000000, 0.0003566600000000 ] - [ -0.0013972100000000, 0.0008351600000000, -0.0112198000000000 ] - [ -0.0003081600000000, -0.0075931000000000, -0.0127300100000000 ] - [ -0.0010101400000000, 0.0002019000000000, -0.0115367300000000 ] - [ 0.0006609700000000, 0.0058987900000000, -0.0133192800000000 ] - [ -0.0022980500000000, 0.0039263000000000, -0.0093413300000000 ] - [ -0.0008335900000000, -0.0008827800000000, -0.0122596000000000 ] - [ 0.0023566300000000, -0.0001890000000000, -0.0113179500000000 ] - [ -0.0031850900000000, -0.0081545200000000, 0.0231680600000000 ] - [ -0.0009184800000000, -0.0133786000000000, 0.0277545500000000 ] - [ 0.0002279100000000, -0.0164678600000000, 0.0291031000000000 ] - [ -0.0004659000000000, -0.0144856400000000, 0.0279000700000000 ] - [ -0.0027660800000000, -0.0108589400000000, 0.0265704100000000 ] - [ 0.0014004400000000, -0.0038068000000000, 0.0262802700000000 ] - [ -0.0012150400000000, -0.0117866500000000, 0.0266098400000000 ] - [ -0.0012881700000000, -0.0142173100000000, 0.0260488100000000 ] - [ -0.0011190200000000, 0.0011263700000000, -0.0010410400000000 ] - [ -0.0026327000000000, 0.0000503600000000, 0.0005365000000000 ] - [ -0.0017614400000000, 0.0015839700000000, -0.0009105200000000 ] - [ -0.0001211000000000, 0.0031831600000000, -0.0015413600000000 ] - [ 0.0005608500000000, 0.0013315300000000, -0.0016182000000000 ] - [ 0.0012845800000000, -0.0016686000000000, -0.0012137100000000 ] - [ 0.0005117800000000, 0.0018338400000000, -0.0011495700000000 ] - [ -0.0004656700000000, 0.0061914000000000, -0.0066513600000000 ] - [ -0.0005297600000000, 0.0084368500000000, -0.0072266900000000 ] - [ 0.0004069500000000, 0.0011455300000000, -0.0005844400000000 ] - [ 0.0005362600000000, -0.0022803400000000, 0.0013632600000000 ] - [ 0.0004677700000000, 0.0004068400000000, -0.0001273300000000 ] - [ -0.0013580100000000, -0.0210191300000000, -0.0609805700000000 ] - [ -0.0026876800000000, -0.0200266700000000, -0.0615843300000000 ] - [ -0.0020899500000000, -0.0219964600000000, -0.0609627000000000 ] - [ 0.0000856600000000, -0.0227331600000000, -0.0609525500000000 ] - [ 0.0021972900000000, 0.0037771700000000, 0.0043952200000000 ] - [ 0.0002834900000000, 0.0028324200000000, 0.0030257000000000 ] - [ 0.0006419600000000, 0.0041014700000000, 0.0056963600000000 ] - [ 0.0019153000000000, 0.0041177800000000, 0.0049974600000000 ] - [ -0.0016646500000000, 0.0017741200000000, 0.0034192500000000 ] - [ -0.0019367900000000, -0.0020690000000000, -0.0077369000000000 ] - [ -0.0014456400000000, 0.0021296600000000, 0.0037566500000000 ] - [ -0.0010922500000000, 0.0017347100000000, 0.0090930800000000 ]- atom: 25 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007209300000000, 0.0078643900000000, 0.0056065000000000 ] - [ 0.0053036100000000, 0.0180094300000000, 0.0075544400000000 ] - [ 0.0013309700000000, 0.0049374700000000, 0.0048728700000000 ] - [ 0.0010252100000000, -0.0006277100000000, 0.0041885600000000 ] - [ 0.0227488500000000, -0.0182641800000000, 0.0062693800000000 ] - [ -0.0034499700000000, -0.0033462600000000, -0.0039520300000000 ] - [ -0.0259987900000000, -0.0266497000000000, -0.0143397100000000 ] - [ -0.0008577800000000, -0.0014381400000000, -0.0047023500000000 ] - [ 0.0014543500000000, -0.0052631100000000, 0.0045553400000000 ] - [ -0.0126499800000000, -0.0183567800000000, 0.0209497000000000 ] - [ -0.0004619200000000, -0.0079517500000000, 0.0043625100000000 ] - [ 0.0183514100000000, -0.0224476900000000, -0.0022258500000000 ] - [ -0.0012043000000000, 0.0073810000000000, -0.0033720500000000 ] - [ -0.0018971500000000, 0.0033835300000000, -0.0051464600000000 ] - [ -0.0002954200000000, -0.0031899500000000, -0.0066307800000000 ] - [ -0.0019289600000000, 0.0007584200000000, -0.0053335600000000 ] - [ -0.0190115700000000, -0.0544882200000000, -0.0898523500000000 ] - [ -0.0118958200000000, -0.0174785000000000, -0.0256321300000000 ] - [ -0.0152423800000000, -0.0508430900000000, 0.0014560700000000 ] - [ -0.0109610100000000, -0.0172406600000000, -0.0257927000000000 ] - [ 0.0176918900000000, -0.0108851200000000, -0.0184800200000000 ] - [ -0.0010198300000000, -0.0190891600000000, -0.0260207200000000 ] - [ 0.0034858900000000, -0.0190506000000000, -0.0215829300000000 ] - [ 0.0155185400000000, -0.0132919300000000, -0.0239310400000000 ] - [ 0.0460746900000000, 0.2358721800000000, 0.0591522100000000 ] - [ 0.0144929400000000, -0.0271734500000000, 0.0667473900000000 ] - [ 0.0222543700000000, -0.0456210500000000, 0.0692966600000000 ] - [ 0.0192144200000000, -0.0270003700000000, 0.0672054300000000 ] - [ -0.0475078900000000, -0.0081286500000000, 0.0701393200000000 ] - [ -0.0440167900000000, -0.0087815100000000, 0.0649124500000000 ] - [ -0.0205402700000000, -0.0282672300000000, 0.0674435500000000 ] - [ -0.0217598700000000, -0.0281138600000000, 0.0693694300000000 ] - [ -0.0178664500000000, 0.0732763800000000, -0.0514912200000000 ] - [ -0.0113532200000000, 0.0181749900000000, -0.0253079000000000 ] - [ -0.0095878800000000, 0.0089786600000000, -0.0246836200000000 ] - [ -0.0102555800000000, 0.0171367700000000, -0.0255108600000000 ] - [ 0.0070271400000000, 0.0183902300000000, -0.0271900500000000 ] - [ 0.0111534300000000, 0.0189906200000000, -0.0224953200000000 ] - [ 0.0103192800000000, 0.0128876200000000, -0.0236098700000000 ] - [ 0.0092711800000000, 0.0121424300000000, -0.0234497800000000 ] - [ -0.0199872100000000, 0.0251967400000000, 0.0669240100000000 ] - [ -0.0240326000000000, 0.0243311500000000, 0.0668423300000000 ] - [ -0.0238553700000000, 0.0214012000000000, 0.0690378500000000 ] - [ -0.0208994500000000, 0.0221314300000000, 0.0685233300000000 ] - [ 0.0213892800000000, 0.0299465200000000, 0.0596534400000000 ] - [ 0.0190607000000000, 0.0265993600000000, 0.0664259000000000 ] - [ 0.0196166000000000, 0.0230623700000000, 0.0690920500000000 ] - [ 0.0195084900000000, 0.0259974800000000, 0.0671284800000000 ] - [ 0.0016756200000000, -0.0147060200000000, -0.0064888600000000 ] - [ 0.0061220900000000, -0.0019922700000000, -0.0018494000000000 ] - [ 0.0045946900000000, 0.0017201300000000, -0.0023065100000000 ] - [ 0.0019108800000000, -0.0013465400000000, -0.0010765600000000 ] - [ -0.0124728700000000, 0.0090560200000000, -0.0593839300000000 ] - [ 0.0095487900000000, 0.0334284000000000, -0.0605802000000000 ] - [ 0.0002237700000000, 0.0402141000000000, -0.0606595400000000 ] - [ 0.0028368500000000, 0.0361187100000000, -0.0608190300000000 ] - [ 0.0027782600000000, 0.0003494500000000, -0.0001439600000000 ] - [ 0.0025853100000000, 0.0015365300000000, -0.0012242800000000 ] - [ 0.0022941700000000, 0.0042168200000000, -0.0023891500000000 ] - [ 0.0025336200000000, 0.0038073400000000, -0.0025138800000000 ] - [ -0.0006594400000000, -0.0354022800000000, -0.0601470700000000 ] - [ 0.0036538600000000, -0.0352079200000000, -0.0606818200000000 ] - [ 0.0041458000000000, -0.0350349700000000, -0.0611894600000000 ] - [ 0.0023727000000000, -0.0352513500000000, -0.0608526100000000 ] - [ -0.0010114900000000, -0.0089178900000000, -0.0007961900000000 ] - [ -0.0003816400000000, -0.0008630400000000, -0.0113405100000000 ] - [ -0.0002238400000000, 0.0059455200000000, -0.0176193000000000 ] - [ -0.0003676300000000, -0.0001693300000000, -0.0117438700000000 ] - [ -0.0003301600000000, -0.0030522600000000, -0.0111184600000000 ] - [ 0.0011072300000000, -0.0038838200000000, -0.0096767600000000 ] - [ 0.0007732500000000, -0.0002766900000000, -0.0127833500000000 ] - [ -0.0002029200000000, -0.0010915400000000, -0.0118875700000000 ] - [ -0.0147166300000000, 0.0178786000000000, 0.0313154500000000 ] - [ 0.0029333600000000, 0.0145103400000000, 0.0281720000000000 ] - [ 0.0067828500000000, 0.0149891700000000, 0.0256039000000000 ] - [ -0.0007009000000000, 0.0132238800000000, 0.0274957400000000 ] - [ -0.0010399300000000, 0.0107696800000000, 0.0265154500000000 ] - [ 0.0134830000000000, 0.0108320900000000, 0.0319518300000000 ] - [ 0.0014415800000000, 0.0116736800000000, 0.0263868400000000 ] - [ -0.0087197800000000, 0.0156310600000000, 0.0245275500000000 ] - [ 0.0012208400000000, -0.0008103000000000, -0.0033118600000000 ] - [ -0.0024306600000000, -0.0059870600000000, 0.0034606900000000 ] - [ -0.0020749900000000, -0.0007901900000000, -0.0012206500000000 ] - [ -0.0006062000000000, 0.0013635400000000, -0.0021285100000000 ] - [ 0.0014593200000000, -0.0021424100000000, -0.0004371200000000 ] - [ 0.0168698900000000, -0.0373713100000000, 0.0449410900000000 ] - [ 0.0010147500000000, -0.0010462500000000, -0.0014349000000000 ] - [ 0.0015449800000000, 0.0114952000000000, -0.0061931300000000 ] - [ 0.0154238900000000, -0.0485148200000000, 0.0074757700000000 ] - [ 0.0013993300000000, -0.0007062500000000, -0.0001430900000000 ] - [ 0.0003140600000000, 0.0103769600000000, 0.0000316500000000 ] - [ 0.0008278500000000, -0.0004827800000000, 0.0001678800000000 ] - [ 0.0035954200000000, 0.0204074200000000, -0.0604333700000000 ] - [ -0.0086954500000000, 0.0067452300000000, -0.0578791300000000 ] - [ -0.0009904400000000, 0.0226431700000000, -0.0611730100000000 ] - [ -0.0017169100000000, 0.0263635100000000, -0.0629462100000000 ] - [ 0.0063357900000000, -0.0034645300000000, 0.0085050100000000 ] - [ -0.0010900300000000, -0.0093331800000000, 0.0023081800000000 ] - [ -0.0006381900000000, -0.0019394300000000, 0.0052381600000000 ] - [ 0.0030428400000000, -0.0006279800000000, 0.0052038900000000 ] - [ -0.0002847800000000, -0.0024389100000000, 0.0032136700000000 ] - [ 0.0063449200000000, -0.0589105500000000, -0.0086218200000000 ] - [ -0.0008510300000000, -0.0018474400000000, 0.0036024200000000 ] - [ -0.0022948700000000, 0.0063846300000000, 0.0020724900000000 ] - [ 0.0011465700000000, -0.0312265600000000, -0.0236388000000000 ] - [ 0.0000730800000000, 0.0001170700000000, -0.0120252200000000 ] - [ -0.0010002400000000, 0.0085029700000000, -0.0105024300000000 ] - [ -0.0003105400000000, 0.0007454000000000, -0.0117147000000000 ] - [ 0.0001339200000000, -0.0018331300000000, -0.0096517100000000 ] - [ 0.0030696400000000, 0.0001214100000000, -0.0135570000000000 ] - [ 0.0016040500000000, 0.0048635700000000, -0.0106794400000000 ] - [ -0.0015477400000000, 0.0041972100000000, -0.0116079300000000 ] - [ 0.0026831200000000, -0.0194082700000000, 0.0321069000000000 ] - [ 0.0004062100000000, -0.0142157800000000, 0.0275311600000000 ] - [ -0.0007121200000000, -0.0111568400000000, 0.0262016900000000 ] - [ -0.0000429800000000, -0.0131172800000000, 0.0273888100000000 ] - [ 0.0009149200000000, -0.0116816600000000, 0.0269585300000000 ] - [ -0.0032129200000000, -0.0186916400000000, 0.0272659100000000 ] - [ -0.0006235300000000, -0.0107616100000000, 0.0269189000000000 ] - [ -0.0005603100000000, -0.0083420300000000, 0.0274839100000000 ] - [ -0.0017470200000000, 0.0019326400000000, -0.0000891800000000 ] - [ -0.0002448000000000, 0.0030023300000000, -0.0016577800000000 ] - [ -0.0011113000000000, 0.0014719400000000, -0.0002225300000000 ] - [ -0.0027441700000000, -0.0001127600000000, 0.0004126300000000 ] - [ 0.0010223100000000, 0.0018039600000000, -0.0007684100000000 ] - [ 0.0003050300000000, 0.0047875100000000, -0.0011469900000000 ] - [ 0.0010714000000000, 0.0013040900000000, -0.0012349900000000 ] - [ 0.0020536500000000, -0.0030525100000000, 0.0041908000000000 ] - [ 0.0017552200000000, -0.0069117800000000, 0.0067538400000000 ] - [ 0.0008204500000000, 0.0003284300000000, 0.0001566500000000 ] - [ 0.0006947300000000, 0.0037148000000000, -0.0017590900000000 ] - [ 0.0007603900000000, 0.0010615100000000, -0.0002958700000000 ] - [ -0.0013464900000000, -0.0223152000000000, -0.0609864300000000 ] - [ -0.0000299000000000, -0.0232969600000000, -0.0603875700000000 ] - [ -0.0006200400000000, -0.0213457700000000, -0.0610053500000000 ] - [ -0.0027770100000000, -0.0206177400000000, -0.0610183200000000 ] - [ 0.0002532600000000, 0.0038777600000000, 0.0050925500000000 ] - [ 0.0021503700000000, 0.0048113100000000, 0.0064425800000000 ] - [ 0.0018006800000000, 0.0035477500000000, 0.0037931000000000 ] - [ 0.0005360000000000, 0.0035292200000000, 0.0044850300000000 ] - [ -0.0008186700000000, 0.0022351700000000, 0.0039192100000000 ] - [ -0.0005510600000000, 0.0060655200000000, 0.0150087600000000 ] - [ -0.0010364500000000, 0.0018789300000000, 0.0035808300000000 ] - [ -0.0013851800000000, 0.0022534800000000, -0.0017125600000000 ]- atom: 25 displacement: [ 0.0000055737063633, 0.0000000000000000, 0.0099999984466897 ] forces: - [ 0.0012188100000000, 0.0063633300000000, 0.0055072400000000 ] - [ 0.0175571700000000, 0.0125951100000000, 0.0244473700000000 ] - [ 0.0011905400000000, 0.0060287300000000, 0.0052867600000000 ] - [ 0.0048123300000000, 0.0043381800000000, 0.0074848900000000 ] - [ 0.0081510200000000, -0.0160102900000000, -0.0180391600000000 ] - [ -0.0024153500000000, -0.0025876400000000, -0.0061136100000000 ] - [ 0.0132930200000000, 0.0106201900000000, -0.0138604500000000 ] - [ -0.0025278100000000, -0.0009989400000000, -0.0065185400000000 ] - [ 0.0027000900000000, -0.0070217000000000, 0.0041040400000000 ] - [ -0.0155782400000000, -0.0233623200000000, 0.0047377500000000 ] - [ 0.0023583400000000, -0.0053080600000000, 0.0043240300000000 ] - [ -0.0112784700000000, 0.0098356100000000, 0.0062262700000000 ] - [ -0.0063871500000000, 0.0040555900000000, 0.0064444700000000 ] - [ -0.0007442900000000, 0.0027365700000000, -0.0031265100000000 ] - [ -0.0042693400000000, 0.0012396400000000, -0.0014884800000000 ] - [ -0.0008820300000000, 0.0018389700000000, -0.0039648000000000 ] - [ -0.0047547400000000, 0.0096629200000000, 0.0050565100000000 ] - [ -0.0096193400000000, -0.0179143800000000, -0.0255731100000000 ] - [ -0.0256088400000000, -0.0838256100000000, 0.0066408400000000 ] - [ -0.0089812800000000, -0.0176409000000000, -0.0257519900000000 ] - [ 0.0033856200000000, -0.0165735000000000, -0.0247101500000000 ] - [ 0.0174486200000000, -0.0135521200000000, -0.0255844000000000 ] - [ -0.0003470900000000, -0.0176248100000000, -0.0257026100000000 ] - [ 0.0206078500000000, -0.0155013900000000, -0.0243897800000000 ] - [ 0.0134858400000000, -0.0158986200000000, -0.2141070900000000 ] - [ 0.0189171900000000, -0.0259432100000000, 0.0649965400000000 ] - [ 0.0208294600000000, -0.0285236600000000, 0.0535733800000000 ] - [ 0.0198341400000000, -0.0263935300000000, 0.0660278900000000 ] - [ -0.0208974500000000, -0.0241404300000000, 0.0614088700000000 ] - [ -0.0287110500000000, -0.0211105200000000, 0.0555944000000000 ] - [ -0.0238393300000000, -0.0232680100000000, 0.0657897200000000 ] - [ -0.0223833800000000, -0.0248462100000000, 0.0634776200000000 ] - [ -0.0103642500000000, 0.0448375700000000, 0.0600148000000000 ] - [ -0.0098830200000000, 0.0178417500000000, -0.0252583600000000 ] - [ -0.0084235800000000, 0.0169433700000000, -0.0232944700000000 ] - [ -0.0099507100000000, 0.0176035100000000, -0.0253462300000000 ] - [ 0.0215915700000000, 0.0132504100000000, -0.0197086700000000 ] - [ -0.0040440100000000, 0.0174501800000000, -0.0201229300000000 ] - [ 0.0104425700000000, 0.0145751100000000, -0.0224568900000000 ] - [ 0.0073820100000000, 0.0150135600000000, -0.0219399000000000 ] - [ -0.0217960300000000, 0.0205394500000000, 0.0716653000000000 ] - [ -0.0211395200000000, 0.0207677900000000, 0.0737269100000000 ] - [ -0.0229534200000000, 0.0236478500000000, 0.0718493100000000 ] - [ -0.0218242900000000, 0.0230590200000000, 0.0746921300000000 ] - [ 0.0181516100000000, 0.0188738800000000, 0.0847993100000000 ] - [ 0.0199916100000000, 0.0256171400000000, 0.0680887200000000 ] - [ 0.0217730000000000, 0.0282589100000000, 0.0869635600000000 ] - [ 0.0200920700000000, 0.0263198600000000, 0.0682705600000000 ] - [ 0.0032465400000000, -0.0014965900000000, 0.0007874900000000 ] - [ 0.0021716300000000, -0.0004061600000000, 0.0012761900000000 ] - [ 0.0022040500000000, -0.0020272000000000, 0.0014775700000000 ] - [ 0.0015582300000000, -0.0009580800000000, 0.0013149500000000 ] - [ 0.0050750300000000, 0.0382999200000000, -0.0423813300000000 ] - [ 0.0041075900000000, 0.0343364400000000, -0.0589703100000000 ] - [ 0.0044572800000000, 0.0365619400000000, -0.0585764300000000 ] - [ 0.0023948700000000, 0.0355464500000000, -0.0602272800000000 ] - [ 0.0024081400000000, 0.0050281300000000, -0.0063689200000000 ] - [ 0.0042242100000000, 0.0052737800000000, -0.0064902900000000 ] - [ 0.0031792700000000, 0.0030492800000000, -0.0035174400000000 ] - [ 0.0028716600000000, 0.0036574500000000, -0.0037039300000000 ] - [ 0.0027494700000000, -0.0335273000000000, -0.0631968900000000 ] - [ 0.0027073500000000, -0.0346321100000000, -0.0615980400000000 ] - [ 0.0028843200000000, -0.0350212100000000, -0.0636100600000000 ] - [ 0.0023583000000000, -0.0350351100000000, -0.0616656000000000 ] - [ 0.0001646700000000, -0.0023081300000000, -0.0220312600000000 ] - [ -0.0006607800000000, -0.0004298500000000, -0.0120647500000000 ] - [ 0.0005966100000000, 0.0081369400000000, -0.0255995000000000 ] - [ -0.0006897900000000, -0.0004537000000000, -0.0120625700000000 ] - [ 0.0015170900000000, -0.0019859400000000, -0.0127804800000000 ] - [ -0.0020613200000000, -0.0030757000000000, -0.0128723700000000 ] - [ 0.0016001300000000, -0.0015125700000000, -0.0128370800000000 ] - [ -0.0013565800000000, -0.0013175400000000, -0.0136944500000000 ] - [ 0.0074134900000000, 0.0116162800000000, 0.0255944300000000 ] - [ -0.0016444600000000, 0.0134615500000000, 0.0274918400000000 ] - [ 0.0150998800000000, 0.0166060000000000, 0.0252198400000000 ] - [ -0.0026785400000000, 0.0133208800000000, 0.0271744500000000 ] - [ 0.0003615100000000, 0.0114505500000000, 0.0266498000000000 ] - [ -0.0096249000000000, 0.0083529300000000, 0.0251633800000000 ] - [ 0.0006787600000000, 0.0115031100000000, 0.0264880400000000 ] - [ -0.0132293600000000, 0.0188652500000000, 0.0237841000000000 ] - [ -0.0008920800000000, -0.0037935800000000, 0.0018194900000000 ] - [ -0.0060334300000000, -0.0031938600000000, 0.0043764900000000 ] - [ -0.0009969100000000, -0.0021109100000000, 0.0000025000000000 ] - [ -0.0026197800000000, -0.0024469200000000, 0.0011231600000000 ] - [ 0.0007452700000000, -0.0022043500000000, -0.0004360300000000 ] - [ 0.0319808500000000, -0.0297673400000000, 0.0947132700000000 ] - [ 0.0009041200000000, -0.0017461700000000, -0.0008779000000000 ] - [ 0.0003149700000000, -0.0081345600000000, 0.0027510200000000 ] - [ -0.0036060000000000, -0.0031277000000000, 0.0080328200000000 ] - [ 0.0007382000000000, -0.0003476700000000, 0.0002920500000000 ] - [ 0.0029841700000000, 0.0077038600000000, 0.0113193300000000 ] - [ 0.0006910100000000, -0.0005354900000000, 0.0003462300000000 ] - [ 0.0004519100000000, 0.0208135700000000, -0.0594308100000000 ] - [ -0.0123995500000000, 0.0126137900000000, -0.0460840400000000 ] - [ -0.0007916100000000, 0.0215629600000000, -0.0603573300000000 ] - [ -0.0022287400000000, 0.0197509100000000, -0.0572694400000000 ] - [ -0.0004844600000000, -0.0034646000000000, 0.0064822800000000 ] - [ 0.0059128000000000, -0.0029371100000000, 0.0068597400000000 ] - [ 0.0005687200000000, -0.0026889900000000, 0.0053832700000000 ] - [ 0.0035156400000000, -0.0009115500000000, 0.0066906100000000 ] - [ -0.0011801400000000, -0.0019330100000000, 0.0041913600000000 ] - [ -0.0104577300000000, 0.0336213300000000, 0.0518161100000000 ] - [ -0.0013339200000000, -0.0016425400000000, 0.0040791800000000 ] - [ -0.0024914900000000, 0.0020959600000000, 0.0081863000000000 ] - [ 0.0005230700000000, -0.0049311400000000, -0.0122845400000000 ] - [ -0.0006582600000000, 0.0006840800000000, -0.0109544500000000 ] - [ -0.0015337900000000, -0.0034119700000000, -0.0098548500000000 ] - [ -0.0005878100000000, 0.0003013200000000, -0.0113646200000000 ] - [ -0.0023878800000000, 0.0025786300000000, -0.0103183000000000 ] - [ 0.0033905700000000, 0.0020963200000000, -0.0093825600000000 ] - [ -0.0004569700000000, 0.0007079100000000, -0.0112068800000000 ] - [ 0.0023736700000000, 0.0005360100000000, -0.0105564400000000 ] - [ -0.0170727200000000, -0.0170723800000000, 0.0246468700000000 ] - [ 0.0025313100000000, -0.0146547000000000, 0.0279310600000000 ] - [ -0.0015147200000000, -0.0131489700000000, 0.0272166500000000 ] - [ 0.0004746200000000, -0.0139117400000000, 0.0276294800000000 ] - [ -0.0034643600000000, -0.0110896800000000, 0.0268638800000000 ] - [ 0.0156511500000000, -0.0109585600000000, 0.0212995100000000 ] - [ -0.0011139900000000, -0.0113075300000000, 0.0267031300000000 ] - [ -0.0004700800000000, -0.0129214300000000, 0.0260051200000000 ] - [ -0.0014788300000000, 0.0016218100000000, -0.0009951400000000 ] - [ -0.0001385300000000, 0.0019022100000000, -0.0029021300000000 ] - [ -0.0022778300000000, -0.0007410200000000, -0.0025197900000000 ] - [ 0.0008631300000000, -0.0006033200000000, -0.0043213000000000 ] - [ 0.0007221100000000, 0.0015572300000000, -0.0014292300000000 ] - [ -0.0001452600000000, 0.0032872800000000, -0.0061628600000000 ] - [ 0.0006737900000000, 0.0008738400000000, -0.0018939100000000 ] - [ 0.0010801300000000, -0.0126674300000000, -0.0152183300000000 ] - [ -0.0018322400000000, 0.0105685100000000, -0.0197528600000000 ] - [ 0.0005351200000000, 0.0011948500000000, -0.0009727800000000 ] - [ 0.0001936300000000, 0.0021516900000000, -0.0035921400000000 ] - [ 0.0005555000000000, 0.0009052300000000, -0.0005900300000000 ] - [ -0.0017271300000000, -0.0214534300000000, -0.0617023000000000 ] - [ -0.0012649800000000, -0.0237164600000000, -0.0659946300000000 ] - [ -0.0012670500000000, -0.0217816700000000, -0.0615674100000000 ] - [ -0.0020047300000000, -0.0226735900000000, -0.0640597800000000 ] - [ 0.0018346400000000, 0.0045727500000000, 0.0033535700000000 ] - [ -0.0004663400000000, 0.0049324100000000, 0.0028422200000000 ] - [ 0.0022164100000000, 0.0039010200000000, 0.0035963200000000 ] - [ -0.0017405100000000, 0.0061354300000000, 0.0022676300000000 ] - [ -0.0011637500000000, 0.0023558900000000, 0.0030918600000000 ] - [ -0.0009556900000000, 0.0015685200000000, -0.0041255000000000 ] - [ -0.0012388000000000, 0.0020800300000000, 0.0032335600000000 ] - [ 0.0003567700000000, 0.0066080400000000, -0.0092819000000000 ]- atom: 25 displacement: [ -0.0000055737063633, 0.0000000000000000, -0.0099999984466897 ] forces: - [ 0.0022543200000000, 0.0061304200000000, 0.0041988000000000 ] - [ -0.0140375500000000, -0.0000856800000000, -0.0146420100000000 ] - [ 0.0022735200000000, 0.0064763800000000, 0.0044375800000000 ] - [ -0.0013766700000000, 0.0081640900000000, 0.0022396700000000 ] - [ -0.0112934900000000, 0.0118626000000000, 0.0083796200000000 ] - [ -0.0006194100000000, -0.0015715500000000, -0.0036833500000000 ] - [ -0.0164431100000000, -0.0148199400000000, 0.0041899300000000 ] - [ -0.0005169500000000, -0.0031776100000000, -0.0032813300000000 ] - [ 0.0007735200000000, -0.0054858000000000, 0.0056370200000000 ] - [ 0.0191732600000000, 0.0110447500000000, 0.0049955900000000 ] - [ 0.0011053100000000, -0.0071974700000000, 0.0054161200000000 ] - [ 0.0148043000000000, -0.0224595700000000, 0.0035078400000000 ] - [ 0.0032869100000000, 0.0001086800000000, -0.0162682200000000 ] - [ -0.0022994900000000, 0.0014322500000000, -0.0066928000000000 ] - [ 0.0012151500000000, 0.0029285900000000, -0.0083447600000000 ] - [ -0.0021656300000000, 0.0023343800000000, -0.0058538700000000 ] - [ -0.0146284800000000, -0.0451218800000000, -0.0562524000000000 ] - [ -0.0096486800000000, -0.0176121400000000, -0.0254204500000000 ] - [ 0.0062911300000000, 0.0482069800000000, -0.0576055500000000 ] - [ -0.0102886200000000, -0.0178766600000000, -0.0252480700000000 ] - [ 0.0153414800000000, -0.0138080900000000, -0.0224739700000000 ] - [ 0.0012253700000000, -0.0168046000000000, -0.0215383600000000 ] - [ 0.0190393800000000, -0.0126418700000000, -0.0214772200000000 ] - [ -0.0019336800000000, -0.0148886700000000, -0.0227266700000000 ] - [ 0.0237639000000000, -0.0309229300000000, 0.3447111600000000 ] - [ 0.0211272900000000, -0.0263852400000000, 0.0689500100000000 ] - [ 0.0191669100000000, -0.0238295400000000, 0.0804526200000000 ] - [ 0.0202021000000000, -0.0259472200000000, 0.0679517400000000 ] - [ -0.0231444200000000, -0.0219555900000000, 0.0750650700000000 ] - [ -0.0157951000000000, -0.0248919600000000, 0.0809682800000000 ] - [ -0.0207461600000000, -0.0227105200000000, 0.0708113200000000 ] - [ -0.0221915700000000, -0.0211395500000000, 0.0731146800000000 ] - [ -0.0089647500000000, -0.0096735100000000, -0.1122575700000000 ] - [ -0.0093876100000000, 0.0176790400000000, -0.0257327800000000 ] - [ -0.0108953400000000, 0.0185915200000000, -0.0276955500000000 ] - [ -0.0093349500000000, 0.0179191600000000, -0.0256404900000000 ] - [ -0.0029839600000000, 0.0171659400000000, -0.0273726100000000 ] - [ 0.0228291800000000, 0.0128641200000000, -0.0270170500000000 ] - [ 0.0082404400000000, 0.0157929600000000, -0.0246553500000000 ] - [ 0.0113210100000000, 0.0153581100000000, -0.0251838700000000 ] - [ -0.0228098500000000, 0.0254661200000000, 0.0648868200000000 ] - [ -0.0234255900000000, 0.0252540800000000, 0.0628233200000000 ] - [ -0.0216620500000000, 0.0223356500000000, 0.0647055600000000 ] - [ -0.0227382300000000, 0.0229213700000000, 0.0618570800000000 ] - [ 0.0218608000000000, 0.0335722300000000, 0.0490930600000000 ] - [ 0.0200467200000000, 0.0267287900000000, 0.0658750900000000 ] - [ 0.0181996000000000, 0.0240222800000000, 0.0468862000000000 ] - [ 0.0199387200000000, 0.0260228300000000, 0.0656935600000000 ] - [ 0.0020880300000000, -0.0039582600000000, -0.0048746800000000 ] - [ 0.0031986600000000, -0.0051337300000000, -0.0054258900000000 ] - [ 0.0031659800000000, -0.0035440100000000, -0.0056204300000000 ] - [ 0.0038118800000000, -0.0045828600000000, -0.0054480900000000 ] - [ 0.0009128900000000, 0.0319918500000000, -0.0791229900000000 ] - [ 0.0009273800000000, 0.0358501900000000, -0.0627637400000000 ] - [ 0.0006261200000000, 0.0336566400000000, -0.0632185300000000 ] - [ 0.0026627900000000, 0.0346728100000000, -0.0615601500000000 ] - [ 0.0029781600000000, 0.0005001700000000, 0.0022457800000000 ] - [ 0.0011323500000000, 0.0002509100000000, 0.0023885400000000 ] - [ 0.0021934900000000, 0.0024934200000000, -0.0006068900000000 ] - [ 0.0024943800000000, 0.0018830400000000, -0.0004172800000000 ] - [ 0.0023455200000000, -0.0367118500000000, -0.0585743200000000 ] - [ 0.0023421300000000, -0.0355961500000000, -0.0601803900000000 ] - [ 0.0022263000000000, -0.0351965100000000, -0.0581581500000000 ] - [ 0.0026960100000000, -0.0351871900000000, -0.0601144500000000 ] - [ -0.0014960400000000, 0.0012596600000000, -0.0011892500000000 ] - [ -0.0006701700000000, -0.0005353700000000, -0.0111832400000000 ] - [ -0.0019144100000000, -0.0091238500000000, 0.0024197900000000 ] - [ -0.0006397400000000, -0.0005164100000000, -0.0111837200000000 ] - [ -0.0007083300000000, -0.0020583300000000, -0.0101287400000000 ] - [ 0.0028632700000000, -0.0009634100000000, -0.0100543100000000 ] - [ -0.0007930600000000, -0.0025330000000000, -0.0100671000000000 ] - [ 0.0021656100000000, -0.0027150100000000, -0.0092278200000000 ] - [ -0.0079350100000000, 0.0159996200000000, 0.0297124300000000 ] - [ 0.0011336300000000, 0.0141453100000000, 0.0277974500000000 ] - [ -0.0156240700000000, 0.0109947500000000, 0.0301147300000000 ] - [ 0.0021703800000000, 0.0142884700000000, 0.0281174100000000 ] - [ -0.0022366600000000, 0.0110912500000000, 0.0268820200000000 ] - [ 0.0078553300000000, 0.0141503700000000, 0.0283726200000000 ] - [ -0.0025464500000000, 0.0110267400000000, 0.0270473300000000 ] - [ 0.0114605200000000, 0.0036724400000000, 0.0297374200000000 ] - [ -0.0020520500000000, 0.0006747200000000, -0.0028349600000000 ] - [ 0.0031353800000000, 0.0001508100000000, -0.0055010900000000 ] - [ -0.0018811400000000, -0.0009289900000000, -0.0011286800000000 ] - [ -0.0002508200000000, -0.0006109200000000, -0.0022472900000000 ] - [ 0.0008282700000000, -0.0009284200000000, -0.0019513700000000 ] - [ -0.0283762000000000, 0.0227031300000000, -0.0908149400000000 ] - [ 0.0006783800000000, -0.0013861400000000, -0.0015038400000000 ] - [ 0.0012842900000000, 0.0050345200000000, -0.0051456800000000 ] - [ 0.0047566000000000, 0.0023682000000000, -0.0078908500000000 ] - [ 0.0004759000000000, -0.0011163000000000, -0.0007284000000000 ] - [ -0.0017592100000000, -0.0091797100000000, -0.0118015700000000 ] - [ 0.0005275700000000, -0.0009329500000000, -0.0007780900000000 ] - [ -0.0031725100000000, 0.0225301600000000, -0.0624753800000000 ] - [ 0.0088066600000000, 0.0303657600000000, -0.0754319900000000 ] - [ -0.0019263300000000, 0.0217766200000000, -0.0616158400000000 ] - [ -0.0004668700000000, 0.0236023300000000, -0.0647159700000000 ] - [ 0.0029361500000000, -0.0042071900000000, 0.0029782900000000 ] - [ -0.0034830400000000, -0.0047274800000000, 0.0026005500000000 ] - [ 0.0018825900000000, -0.0049789000000000, 0.0040861400000000 ] - [ -0.0010900100000000, -0.0067759500000000, 0.0027783200000000 ] - [ -0.0013057900000000, -0.0020860100000000, 0.0031425200000000 ] - [ 0.0085381400000000, -0.0401845700000000, -0.0460870800000000 ] - [ -0.0011521600000000, -0.0023784600000000, 0.0032586600000000 ] - [ 0.0000265700000000, -0.0061558800000000, -0.0008746300000000 ] - [ -0.0020613900000000, 0.0068132900000000, -0.0127202500000000 ] - [ -0.0006703600000000, 0.0002804800000000, -0.0122938700000000 ] - [ 0.0002258400000000, 0.0043793200000000, -0.0134158800000000 ] - [ -0.0007394000000000, 0.0006625500000000, -0.0118937100000000 ] - [ 0.0031617500000000, 0.0014629300000000, -0.0127067000000000 ] - [ -0.0026398900000000, 0.0019412900000000, -0.0135220400000000 ] - [ 0.0012529200000000, 0.0033174700000000, -0.0117394900000000 ] - [ -0.0015734400000000, 0.0034960200000000, -0.0123812400000000 ] - [ 0.0167035500000000, -0.0104969300000000, 0.0306057500000000 ] - [ -0.0030640500000000, -0.0129437100000000, 0.0273512000000000 ] - [ 0.0010291100000000, -0.0144571700000000, 0.0280670800000000 ] - [ -0.0009857600000000, -0.0136956000000000, 0.0276581100000000 ] - [ 0.0016172000000000, -0.0114603800000000, 0.0266538600000000 ] - [ -0.0175950900000000, -0.0115733700000000, 0.0322551400000000 ] - [ -0.0007308200000000, -0.0112364600000000, 0.0268212300000000 ] - [ -0.0013659800000000, -0.0096148900000000, 0.0275231800000000 ] - [ -0.0013920900000000, 0.0014353000000000, -0.0001303900000000 ] - [ -0.0027438500000000, 0.0011440800000000, 0.0017908700000000 ] - [ -0.0005886200000000, 0.0037964600000000, 0.0013962000000000 ] - [ -0.0037539900000000, 0.0036795700000000, 0.0032172100000000 ] - [ 0.0008603300000000, 0.0015772700000000, -0.0009531100000000 ] - [ 0.0017415900000000, -0.0001745500000000, 0.0038081100000000 ] - [ 0.0009101900000000, 0.0022639200000000, -0.0004842700000000 ] - [ 0.0005116200000000, 0.0159352700000000, 0.0129915900000000 ] - [ 0.0030664600000000, -0.0091376700000000, 0.0194060800000000 ] - [ 0.0006837300000000, 0.0002689500000000, 0.0005460400000000 ] - [ 0.0010345900000000, -0.0006758700000000, 0.0031724600000000 ] - [ 0.0006648100000000, 0.0005619100000000, 0.0001593300000000 ] - [ -0.0009809600000000, -0.0218859300000000, -0.0602587800000000 ] - [ -0.0014431600000000, -0.0196444800000000, -0.0559682900000000 ] - [ -0.0014386200000000, -0.0215565200000000, -0.0603961600000000 ] - [ -0.0007060900000000, -0.0206561200000000, -0.0578938600000000 ] - [ 0.0006066000000000, 0.0030910300000000, 0.0061520300000000 ] - [ 0.0029115100000000, 0.0027220800000000, 0.0066493400000000 ] - [ 0.0002336800000000, 0.0037573300000000, 0.0059073500000000 ] - [ 0.0041784900000000, 0.0015350300000000, 0.0072195700000000 ] - [ -0.0013224700000000, 0.0016641000000000, 0.0042561400000000 ] - [ -0.0015167500000000, 0.0024669600000000, 0.0115662000000000 ] - [ -0.0012479000000000, 0.0019396200000000, 0.0041122800000000 ] - [ -0.0028295000000000, -0.0025584000000000, 0.0166560600000000 ]- atom: 29 displacement: [ 0.0099999993466229, 0.0000000000000000, -0.0000036149054082 ] forces: - [ 0.0010230100000000, 0.0031055400000000, -0.0078592100000000 ] - [ 0.0076925500000000, 0.0072511100000000, 0.0085058100000000 ] - [ -0.0010900900000000, 0.0074110000000000, 0.0043796000000000 ] - [ 0.0049811600000000, 0.0060853700000000, 0.0055011300000000 ] - [ -0.0022180000000000, 0.0197599200000000, -0.0130867900000000 ] - [ 0.0043144600000000, -0.0051518200000000, -0.0040660500000000 ] - [ -0.0128020800000000, -0.0307597000000000, -0.0176959300000000 ] - [ 0.0031215700000000, 0.0027906200000000, -0.0038024700000000 ] - [ -0.0048563200000000, -0.0336424000000000, 0.0322082300000000 ] - [ 0.0080224000000000, -0.0009624100000000, 0.0017438000000000 ] - [ 0.0001890900000000, 0.0035614600000000, 0.0090498800000000 ] - [ 0.0092896700000000, -0.0103590000000000, 0.0036162100000000 ] - [ -0.0066273800000000, 0.0011377700000000, -0.0027536800000000 ] - [ 0.0018733400000000, 0.0020899300000000, -0.0057956000000000 ] - [ -0.0044557200000000, 0.0031340700000000, -0.0038715100000000 ] - [ 0.0008002600000000, 0.0019466000000000, -0.0054095300000000 ] - [ -0.0049719700000000, -0.0094633400000000, -0.0124741600000000 ] - [ -0.0090773400000000, -0.0245348400000000, -0.0349583100000000 ] - [ -0.0110030900000000, -0.0328741500000000, -0.0136687700000000 ] - [ -0.0050440800000000, -0.0088559500000000, -0.0318290500000000 ] - [ -0.0042075900000000, -0.0141462100000000, -0.0152424600000000 ] - [ 0.0174337100000000, -0.0141341600000000, -0.0249936300000000 ] - [ -0.0089521700000000, 0.0017778300000000, -0.0299347700000000 ] - [ 0.0177398900000000, -0.0139292000000000, -0.0243393800000000 ] - [ 0.1101460300000000, -0.0006277600000000, 0.0680493500000000 ] - [ 0.1057527700000000, -0.0044373300000000, 0.0604789000000000 ] - [ 0.0201800300000000, -0.0279593400000000, 0.0654372700000000 ] - [ 0.0211121000000000, -0.0266916300000000, 0.0668873200000000 ] - [ -0.2821821100000000, -0.0230318700000000, 0.0746866000000000 ] - [ 0.0104715500000000, -0.0299502200000000, 0.0698858800000000 ] - [ -0.0294167100000000, -0.0207512400000000, 0.0669666900000000 ] - [ -0.0160105000000000, -0.0234155200000000, 0.0687099200000000 ] - [ -0.0066639600000000, 0.0151825500000000, -0.0432576700000000 ] - [ -0.0047060900000000, 0.0216602800000000, -0.0128606400000000 ] - [ -0.0093059300000000, 0.0173951000000000, -0.0275415200000000 ] - [ -0.0087925100000000, 0.0162442600000000, -0.0238168000000000 ] - [ -0.0114699400000000, 0.0090239900000000, -0.0193764600000000 ] - [ 0.0195437800000000, 0.0132595800000000, -0.0231595200000000 ] - [ 0.0038959900000000, 0.0142254200000000, -0.0239995300000000 ] - [ 0.0138944200000000, 0.0149509400000000, -0.0235526400000000 ] - [ -0.0286535100000000, 0.0221705100000000, 0.0701592700000000 ] - [ -0.0165666100000000, 0.0237814800000000, 0.0681563700000000 ] - [ -0.0280347900000000, 0.0234394600000000, 0.0670583000000000 ] - [ -0.0172224700000000, 0.0233469500000000, 0.0682090900000000 ] - [ 0.0193924400000000, 0.0284996500000000, 0.0674757500000000 ] - [ 0.0214591700000000, 0.0244327200000000, 0.0681074500000000 ] - [ 0.0186644200000000, 0.0246070600000000, 0.0663253800000000 ] - [ 0.0213612500000000, 0.0275715200000000, 0.0674232400000000 ] - [ 0.0253098400000000, 0.0220899500000000, 0.0011945200000000 ] - [ -0.0016805500000000, -0.0012469000000000, -0.0006714600000000 ] - [ 0.0083523800000000, -0.0041531800000000, -0.0075695600000000 ] - [ 0.0005193200000000, -0.0035138300000000, -0.0008708000000000 ] - [ 0.0751753400000000, 0.0010745300000000, -0.0577200200000000 ] - [ -0.0311673800000000, 0.0303809000000000, -0.0619901200000000 ] - [ 0.0070861400000000, 0.0335926400000000, -0.0611587700000000 ] - [ -0.0014974500000000, 0.0357346500000000, -0.0607394000000000 ] - [ 0.0050703400000000, 0.0035872700000000, -0.0038608500000000 ] - [ 0.0008613300000000, 0.0029893800000000, -0.0014954800000000 ] - [ 0.0041579300000000, 0.0021111100000000, -0.0021878200000000 ] - [ 0.0015201200000000, 0.0028641700000000, -0.0016028600000000 ] - [ 0.0067255100000000, -0.0352407500000000, -0.0611660700000000 ] - [ -0.0015606200000000, -0.0350354600000000, -0.0609113800000000 ] - [ 0.0070141900000000, -0.0345438000000000, -0.0607779300000000 ] - [ -0.0011019100000000, -0.0354381500000000, -0.0608328200000000 ] - [ -0.0008810200000000, -0.0004190300000000, -0.0144357300000000 ] - [ -0.0012583800000000, -0.0002436700000000, -0.0100914200000000 ] - [ -0.0003568500000000, 0.0018028800000000, -0.0145958100000000 ] - [ -0.0011250200000000, -0.0023575000000000, -0.0093142700000000 ] - [ 0.0033294200000000, 0.0008186300000000, -0.0127255100000000 ] - [ -0.0016812200000000, -0.0023096900000000, -0.0114815200000000 ] - [ 0.0025439900000000, -0.0043303700000000, -0.0080689300000000 ] - [ -0.0013874300000000, -0.0020848500000000, -0.0116359800000000 ] - [ 0.0030241200000000, 0.0125404900000000, 0.0267017500000000 ] - [ -0.0048519400000000, 0.0145194500000000, 0.0283114100000000 ] - [ 0.0097765500000000, 0.0151511900000000, 0.0258383100000000 ] - [ -0.0054505600000000, 0.0128013700000000, 0.0284616500000000 ] - [ 0.0062538200000000, 0.0146538300000000, 0.0278952000000000 ] - [ -0.0079877000000000, 0.0107274600000000, 0.0259323500000000 ] - [ 0.0011140200000000, 0.0084650900000000, 0.0280258500000000 ] - [ -0.0069508700000000, 0.0128957500000000, 0.0260772000000000 ] - [ 0.0252937200000000, 0.0032521000000000, -0.0191427800000000 ] - [ -0.0058317200000000, -0.0010901300000000, 0.0008615000000000 ] - [ 0.0006146200000000, -0.0038787300000000, -0.0000904200000000 ] - [ -0.0029232000000000, -0.0014473000000000, 0.0000416400000000 ] - [ -0.0051651100000000, -0.0108375300000000, 0.0079146600000000 ] - [ -0.0080605600000000, 0.0113942700000000, -0.0209280000000000 ] - [ 0.0009953000000000, 0.0000045400000000, -0.0015162400000000 ] - [ 0.0002159100000000, -0.0037216200000000, -0.0006328100000000 ] - [ -0.0037361600000000, -0.0178507600000000, -0.0112917100000000 ] - [ -0.0058421800000000, 0.0080468200000000, 0.0081152100000000 ] - [ -0.0001365100000000, 0.0037351300000000, -0.0003745300000000 ] - [ 0.0001906400000000, -0.0024383600000000, -0.0006843700000000 ] - [ 0.0167572000000000, 0.0135090400000000, -0.0606289300000000 ] - [ -0.0309728200000000, 0.0150960500000000, -0.0585998900000000 ] - [ 0.0016748600000000, 0.0202405500000000, -0.0601490400000000 ] - [ -0.0048419800000000, 0.0226007600000000, -0.0614687500000000 ] - [ 0.0236717900000000, -0.0032804800000000, 0.0049492500000000 ] - [ -0.0044260500000000, -0.0044778700000000, 0.0033534300000000 ] - [ 0.0069308300000000, -0.0014261900000000, 0.0064412100000000 ] - [ -0.0015290200000000, -0.0048568800000000, 0.0039967500000000 ] - [ -0.0075036900000000, -0.0086456700000000, -0.0036590100000000 ] - [ -0.0107347600000000, 0.0077319800000000, 0.0181698200000000 ] - [ -0.0034129000000000, 0.0012444200000000, 0.0037895400000000 ] - [ -0.0013116600000000, -0.0032286000000000, 0.0044448900000000 ] - [ -0.0060077300000000, -0.0027068300000000, 0.0009194700000000 ] - [ -0.0081917700000000, 0.0000863200000000, -0.0193998800000000 ] - [ -0.0021730600000000, 0.0029671400000000, -0.0104687200000000 ] - [ -0.0008120500000000, -0.0004042600000000, -0.0119762300000000 ] - [ 0.0237155200000000, 0.0018107400000000, -0.0049585000000000 ] - [ -0.0040755700000000, 0.0024068900000000, -0.0120677100000000 ] - [ 0.0047957800000000, 0.0034679200000000, -0.0103451300000000 ] - [ -0.0021739000000000, 0.0016195500000000, -0.0120472900000000 ] - [ 0.0077186500000000, -0.0145331900000000, 0.0318486900000000 ] - [ -0.0067481400000000, -0.0139022200000000, 0.0260456300000000 ] - [ 0.0023649000000000, -0.0147906400000000, 0.0286059300000000 ] - [ -0.0027849900000000, -0.0132279000000000, 0.0271546000000000 ] - [ 0.0046033200000000, -0.0133828900000000, 0.0217546700000000 ] - [ -0.0087990400000000, -0.0112241200000000, 0.0287547000000000 ] - [ 0.0017205600000000, -0.0115177200000000, 0.0263777000000000 ] - [ -0.0038776000000000, -0.0108140900000000, 0.0272185400000000 ] - [ 0.0020207000000000, 0.0024743700000000, -0.0034894200000000 ] - [ -0.0030727500000000, 0.0011427500000000, 0.0005093600000000 ] - [ 0.0010841900000000, 0.0021487300000000, -0.0025480900000000 ] - [ -0.0032671600000000, 0.0015063200000000, 0.0002680400000000 ] - [ -0.0008279300000000, 0.0029413700000000, -0.0035649100000000 ] - [ 0.0007764900000000, 0.0008717500000000, -0.0005835700000000 ] - [ 0.0007842300000000, -0.0010605700000000, -0.0039856200000000 ] - [ 0.0002480200000000, 0.0048972500000000, 0.0023850100000000 ] - [ 0.0012040200000000, -0.0017186000000000, 0.0038016500000000 ] - [ -0.0004214500000000, 0.0026315100000000, -0.0035880700000000 ] - [ 0.0008492500000000, 0.0009342900000000, -0.0000135900000000 ] - [ 0.0002932000000000, 0.0007411100000000, -0.0005843900000000 ] - [ 0.0014808800000000, -0.0200051900000000, -0.0601395100000000 ] - [ -0.0042142100000000, -0.0227345400000000, -0.0617130900000000 ] - [ 0.0007948200000000, -0.0216230700000000, -0.0606020500000000 ] - [ -0.0039449300000000, -0.0218377800000000, -0.0612604900000000 ] - [ 0.0037906400000000, 0.0030953100000000, 0.0028064100000000 ] - [ -0.0007667100000000, 0.0041318800000000, 0.0045229200000000 ] - [ 0.0041602500000000, 0.0018663400000000, 0.0078067400000000 ] - [ -0.0009993200000000, 0.0045636100000000, 0.0044246800000000 ] - [ -0.0013259600000000, 0.0029302400000000, 0.0050332900000000 ] - [ -0.0016496400000000, 0.0007216900000000, 0.0013760000000000 ] - [ -0.0020049500000000, 0.0008753800000000, 0.0055543700000000 ] - [ -0.0011026700000000, 0.0029274800000000, 0.0010474100000000 ]- atom: 29 displacement: [ -0.0099999993466229, 0.0000000000000000, 0.0000036149054082 ] forces: - [ 0.0024716100000000, 0.0093956900000000, 0.0176117700000000 ] - [ -0.0042510400000000, 0.0052622900000000, 0.0012105400000000 ] - [ 0.0045614700000000, 0.0050955700000000, 0.0053306500000000 ] - [ -0.0015437500000000, 0.0064220600000000, 0.0042106700000000 ] - [ -0.0008066400000000, -0.0237496600000000, 0.0032335900000000 ] - [ -0.0073802000000000, 0.0009953000000000, -0.0057506000000000 ] - [ 0.0097736500000000, 0.0263936200000000, 0.0078553900000000 ] - [ -0.0061860800000000, -0.0069892600000000, -0.0060120400000000 ] - [ 0.0083302900000000, 0.0214148900000000, -0.0227165800000000 ] - [ -0.0045751800000000, -0.0115289900000000, 0.0079570600000000 ] - [ 0.0032847200000000, -0.0161121400000000, 0.0006548300000000 ] - [ -0.0058527100000000, -0.0021527600000000, 0.0060968000000000 ] - [ 0.0035659900000000, 0.0030334200000000, -0.0070718700000000 ] - [ -0.0049284800000000, 0.0020830600000000, -0.0040165800000000 ] - [ 0.0014033300000000, 0.0010374100000000, -0.0059582100000000 ] - [ -0.0038513300000000, 0.0022251100000000, -0.0044065300000000 ] - [ -0.0143796300000000, -0.0260264200000000, -0.0385074200000000 ] - [ -0.0101963400000000, -0.0109563300000000, -0.0159719400000000 ] - [ -0.0083188500000000, -0.0026464000000000, -0.0373208900000000 ] - [ -0.0142321000000000, -0.0267067000000000, -0.0191284600000000 ] - [ 0.0229868800000000, -0.0162851100000000, -0.0320429100000000 ] - [ 0.0012224600000000, -0.0162000900000000, -0.0220798600000000 ] - [ 0.0276321200000000, -0.0319905600000000, -0.0172492900000000 ] - [ 0.0009147100000000, -0.0164186100000000, -0.0227479600000000 ] - [ -0.0696129000000000, -0.0514970500000000, 0.0659145400000000 ] - [ -0.0662831900000000, -0.0479607900000000, 0.0734986500000000 ] - [ 0.0198494400000000, -0.0243774800000000, 0.0685451500000000 ] - [ 0.0189369400000000, -0.0256402100000000, 0.0670948100000000 ] - [ 0.2342157000000000, -0.0224224700000000, 0.0621825100000000 ] - [ -0.0551162800000000, -0.0160414400000000, 0.0666777600000000 ] - [ -0.0151768400000000, -0.0252406900000000, 0.0696385700000000 ] - [ -0.0286109000000000, -0.0225937400000000, 0.0678654200000000 ] - [ -0.0126268500000000, 0.0203151200000000, -0.0077620300000000 ] - [ -0.0146268400000000, 0.0138411600000000, -0.0381934000000000 ] - [ -0.0099993700000000, 0.0181282200000000, -0.0234426600000000 ] - [ -0.0104987800000000, 0.0192838300000000, -0.0271792500000000 ] - [ 0.0301804300000000, 0.0212931100000000, -0.0276288100000000 ] - [ -0.0008863500000000, 0.0170854100000000, -0.0239425500000000 ] - [ 0.0147960500000000, 0.0161258800000000, -0.0230944400000000 ] - [ 0.0047723400000000, 0.0153931400000000, -0.0235468400000000 ] - [ -0.0159367800000000, 0.0238498200000000, 0.0663755300000000 ] - [ -0.0280505300000000, 0.0222348100000000, 0.0684061200000000 ] - [ -0.0165574800000000, 0.0225666200000000, 0.0694805800000000 ] - [ -0.0273946500000000, 0.0226619500000000, 0.0683565200000000 ] - [ 0.0206382200000000, 0.0238446600000000, 0.0664801500000000 ] - [ 0.0185844600000000, 0.0279127400000000, 0.0658445900000000 ] - [ 0.0213667900000000, 0.0277271200000000, 0.0676350100000000 ] - [ 0.0186823400000000, 0.0247590500000000, 0.0665347500000000 ] - [ -0.0202153100000000, -0.0281075500000000, -0.0053239200000000 ] - [ 0.0070653300000000, -0.0042955700000000, -0.0034727300000000 ] - [ -0.0029628700000000, -0.0014118100000000, 0.0034060600000000 ] - [ 0.0048637100000000, -0.0020211200000000, -0.0032720200000000 ] - [ -0.0624702000000000, 0.0667901500000000, -0.0640408000000000 ] - [ 0.0363130800000000, 0.0398594600000000, -0.0597846500000000 ] - [ -0.0020182000000000, 0.0366131700000000, -0.0606255400000000 ] - [ 0.0065693300000000, 0.0344774400000000, -0.0610437900000000 ] - [ 0.0002989500000000, 0.0019500600000000, -0.0002674400000000 ] - [ 0.0045167500000000, 0.0025435400000000, -0.0026355400000000 ] - [ 0.0012138900000000, 0.0034231900000000, -0.0019363200000000 ] - [ 0.0038570400000000, 0.0026716100000000, -0.0025287100000000 ] - [ -0.0016608600000000, -0.0349797100000000, -0.0606066400000000 ] - [ 0.0066317200000000, -0.0351819300000000, -0.0608658500000000 ] - [ -0.0019488000000000, -0.0356719300000000, -0.0609970400000000 ] - [ 0.0061726700000000, -0.0347754300000000, -0.0609455500000000 ] - [ -0.0004338600000000, -0.0005446300000000, -0.0088098400000000 ] - [ -0.0000633700000000, -0.0007140800000000, -0.0131612000000000 ] - [ -0.0009574600000000, -0.0027593500000000, -0.0086447100000000 ] - [ -0.0001986900000000, 0.0014107400000000, -0.0139390400000000 ] - [ -0.0025457000000000, -0.0048548600000000, -0.0101881100000000 ] - [ 0.0024860000000000, -0.0017191500000000, -0.0114475700000000 ] - [ -0.0017415500000000, 0.0002808000000000, -0.0148147200000000 ] - [ 0.0021934300000000, -0.0019417200000000, -0.0112918300000000 ] - [ -0.0034752600000000, 0.0150711600000000, 0.0285872500000000 ] - [ 0.0043475500000000, 0.0130780000000000, 0.0269705000000000 ] - [ -0.0102165300000000, 0.0124388100000000, 0.0294637500000000 ] - [ 0.0049530700000000, 0.0148052000000000, 0.0268234500000000 ] - [ -0.0081926200000000, 0.0078397800000000, 0.0256397300000000 ] - [ 0.0061893300000000, 0.0118035800000000, 0.0275921800000000 ] - [ -0.0029884600000000, 0.0140832800000000, 0.0255047400000000 ] - [ 0.0051396400000000, 0.0096432900000000, 0.0274560200000000 ] - [ -0.0277120600000000, -0.0062817100000000, 0.0178288500000000 ] - [ 0.0029601000000000, -0.0019692500000000, -0.0019829500000000 ] - [ -0.0034852400000000, 0.0008434800000000, -0.0010438600000000 ] - [ 0.0000562000000000, -0.0016095000000000, -0.0011708700000000 ] - [ 0.0067809000000000, 0.0077274200000000, -0.0103131600000000 ] - [ 0.0096127400000000, -0.0145094400000000, 0.0185398500000000 ] - [ 0.0005865000000000, -0.0031418000000000, -0.0008729500000000 ] - [ 0.0013736200000000, 0.0005956400000000, -0.0017566700000000 ] - [ 0.0050107800000000, 0.0163656600000000, 0.0108705600000000 ] - [ 0.0071147300000000, -0.0095393300000000, -0.0085658900000000 ] - [ 0.0013677100000000, -0.0052188000000000, -0.0000593400000000 ] - [ 0.0010351100000000, 0.0009756400000000, 0.0002535100000000 ] - [ -0.0244162600000000, 0.0314928500000000, -0.0621192700000000 ] - [ 0.0282730700000000, 0.0281837000000000, -0.0633470700000000 ] - [ -0.0044006300000000, 0.0231027300000000, -0.0618264700000000 ] - [ 0.0021484000000000, 0.0207404300000000, -0.0605018000000000 ] - [ -0.0210502000000000, -0.0039219800000000, 0.0051228700000000 ] - [ 0.0068796200000000, -0.0031778800000000, 0.0061252200000000 ] - [ -0.0045086000000000, -0.0062413300000000, 0.0030160600000000 ] - [ 0.0039769900000000, -0.0028002400000000, 0.0054828300000000 ] - [ 0.0050763600000000, 0.0046531200000000, 0.0110110400000000 ] - [ 0.0082365900000000, -0.0117306900000000, -0.0108398600000000 ] - [ 0.0009425100000000, -0.0052768700000000, 0.0035450400000000 ] - [ -0.0011590800000000, -0.0007890900000000, 0.0028859800000000 ] - [ 0.0046564200000000, 0.0036393500000000, -0.0241373200000000 ] - [ 0.0068987200000000, 0.0008662500000000, -0.0038449000000000 ] - [ 0.0008602200000000, -0.0020209900000000, -0.0127885800000000 ] - [ -0.0005085800000000, 0.0013622200000000, -0.0112736300000000 ] - [ -0.0228619600000000, 0.0020383500000000, -0.0176032600000000 ] - [ 0.0048845400000000, 0.0016215700000000, -0.0108643600000000 ] - [ -0.0039942600000000, 0.0005660700000000, -0.0125938400000000 ] - [ 0.0029816800000000, 0.0024122700000000, -0.0108811500000000 ] - [ -0.0081993800000000, -0.0130560600000000, 0.0234384400000000 ] - [ 0.0062640900000000, -0.0136955100000000, 0.0292501000000000 ] - [ -0.0028705800000000, -0.0128047600000000, 0.0266780900000000 ] - [ 0.0022867600000000, -0.0143753100000000, 0.0281369900000000 ] - [ -0.0064693400000000, -0.0091287400000000, 0.0318118300000000 ] - [ 0.0069781200000000, -0.0113133300000000, 0.0247812700000000 ] - [ -0.0035692400000000, -0.0110246600000000, 0.0271553700000000 ] - [ 0.0020532800000000, -0.0117261200000000, 0.0263137000000000 ] - [ -0.0049094800000000, 0.0005722700000000, 0.0023889100000000 ] - [ 0.0002018500000000, 0.0019156100000000, -0.0016305800000000 ] - [ -0.0039616400000000, 0.0009188300000000, 0.0014568400000000 ] - [ 0.0003992800000000, 0.0015545900000000, -0.0013906700000000 ] - [ 0.0024230500000000, 0.0001871900000000, 0.0011982400000000 ] - [ 0.0008139100000000, 0.0022616900000000, -0.0017935700000000 ] - [ 0.0008003300000000, 0.0042123100000000, 0.0016175600000000 ] - [ 0.0013401200000000, -0.0017589200000000, -0.0047631600000000 ] - [ 0.0000269800000000, 0.0031860200000000, -0.0042211300000000 ] - [ 0.0016534000000000, -0.0011727800000000, 0.0031793700000000 ] - [ 0.0003815400000000, 0.0005361600000000, -0.0004088800000000 ] - [ 0.0009350800000000, 0.0007271100000000, 0.0001630100000000 ] - [ -0.0042002900000000, -0.0233387700000000, -0.0618265200000000 ] - [ 0.0015176600000000, -0.0206086800000000, -0.0602542500000000 ] - [ -0.0035124500000000, -0.0217151600000000, -0.0613621200000000 ] - [ 0.0012473100000000, -0.0215021200000000, -0.0607062700000000 ] - [ -0.0013656300000000, 0.0045572700000000, 0.0067027500000000 ] - [ 0.0032159200000000, 0.0035178700000000, 0.0049606900000000 ] - [ -0.0017255400000000, 0.0057792800000000, 0.0017031200000000 ] - [ 0.0034487500000000, 0.0030884300000000, 0.0050565900000000 ] - [ -0.0011592800000000, 0.0010793100000000, 0.0023073900000000 ] - [ -0.0008206100000000, 0.0032922900000000, 0.0059720100000000 ] - [ -0.0004787100000000, 0.0031396600000000, 0.0017773900000000 ] - [ -0.0013735200000000, 0.0010885700000000, 0.0062918800000000 ]- atom: 29 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0053589300000000, -0.0081279400000000, -0.0000230500000000 ] - [ 0.0008335300000000, 0.0038460500000000, 0.0038503400000000 ] - [ 0.0001535600000000, 0.0145926200000000, 0.0059790200000000 ] - [ 0.0016863800000000, 0.0082826400000000, 0.0049799000000000 ] - [ 0.0241726900000000, 0.0189729900000000, -0.0200824300000000 ] - [ -0.0032440000000000, -0.0012048700000000, -0.0057573400000000 ] - [ -0.0275929400000000, 0.0239779500000000, 0.0041518200000000 ] - [ -0.0008535700000000, -0.0025500200000000, -0.0051051300000000 ] - [ -0.0142142600000000, 0.0070202600000000, -0.0125800700000000 ] - [ 0.0015444800000000, -0.0082212000000000, 0.0055097000000000 ] - [ 0.0196858700000000, 0.0137235400000000, 0.0131626300000000 ] - [ -0.0006330000000000, -0.0040758200000000, 0.0053385100000000 ] - [ -0.0008041800000000, -0.0047040300000000, -0.0064775800000000 ] - [ -0.0018444000000000, 0.0005483300000000, -0.0047253300000000 ] - [ -0.0004777700000000, 0.0088670400000000, -0.0021328100000000 ] - [ -0.0021031200000000, 0.0038418000000000, -0.0042971600000000 ] - [ 0.0043642400000000, -0.0228670000000000, -0.0294292500000000 ] - [ -0.0245050900000000, -0.0131003000000000, -0.0234252200000000 ] - [ -0.0161137700000000, -0.0120613300000000, -0.0290418500000000 ] - [ -0.0026896100000000, -0.0191174600000000, -0.0258605800000000 ] - [ -0.0030023100000000, 0.0188951300000000, 0.0429223700000000 ] - [ 0.0082196600000000, -0.0155513400000000, -0.0239705300000000 ] - [ 0.0021246900000000, 0.0218263800000000, -0.0481357900000000 ] - [ 0.0080133600000000, -0.0153031200000000, -0.0233191900000000 ] - [ -0.0095712200000000, -0.0411592200000000, 0.0658688100000000 ] - [ 0.0021163300000000, -0.0404081800000000, 0.0688618600000000 ] - [ 0.0213882400000000, -0.0208673200000000, 0.0666906600000000 ] - [ 0.0207866500000000, -0.0210409900000000, 0.0651166000000000 ] - [ -0.0232687900000000, -0.3035647900000000, 0.0722621500000000 ] - [ -0.0292551200000000, -0.0219578000000000, 0.0680626400000000 ] - [ -0.0200556500000000, 0.0044496800000000, 0.0650634800000000 ] - [ -0.0227088300000000, -0.0218633700000000, 0.0679708600000000 ] - [ -0.0118404800000000, 0.0136194700000000, -0.0198969500000000 ] - [ -0.0081278100000000, 0.0129580600000000, -0.0260377500000000 ] - [ -0.0081814500000000, 0.0211549100000000, -0.0252921700000000 ] - [ -0.0091839900000000, 0.0214144200000000, -0.0252570100000000 ] - [ 0.0022113300000000, -0.0343036300000000, 0.0000022400000000 ] - [ 0.0074342500000000, 0.0147704500000000, -0.0230730600000000 ] - [ 0.0088380800000000, 0.0240571200000000, -0.0241902700000000 ] - [ 0.0091941300000000, 0.0156793700000000, -0.0234850300000000 ] - [ -0.0214600300000000, 0.0174675200000000, 0.0778370100000000 ] - [ -0.0230723500000000, 0.0222348700000000, 0.0692073800000000 ] - [ -0.0227401000000000, 0.0273922200000000, 0.0666549100000000 ] - [ -0.0226425200000000, 0.0234316200000000, 0.0681297000000000 ] - [ 0.0224604100000000, 0.0239646300000000, 0.0694386000000000 ] - [ 0.0182002500000000, 0.0248345400000000, 0.0692215600000000 ] - [ 0.0189828400000000, 0.0277847000000000, 0.0663159400000000 ] - [ 0.0212472600000000, 0.0270511200000000, 0.0669023600000000 ] - [ 0.0322431900000000, 0.0961045600000000, 0.0052638500000000 ] - [ 0.0035766900000000, -0.0020323900000000, -0.0011951400000000 ] - [ 0.0020798200000000, -0.0199043100000000, -0.0040547000000000 ] - [ 0.0029021200000000, -0.0033021900000000, -0.0026394500000000 ] - [ -0.0001672100000000, 0.0614507600000000, -0.0608712400000000 ] - [ 0.0097151000000000, 0.0364012200000000, -0.0610210900000000 ] - [ 0.0018827900000000, 0.0282932500000000, -0.0612096400000000 ] - [ 0.0028605300000000, 0.0342299400000000, -0.0608191100000000 ] - [ 0.0035374400000000, 0.0117598300000000, -0.0100966200000000 ] - [ 0.0029464000000000, 0.0036383200000000, -0.0028656600000000 ] - [ 0.0032400900000000, -0.0012175400000000, -0.0006357200000000 ] - [ 0.0028868600000000, 0.0022107900000000, -0.0019885500000000 ] - [ 0.0001857600000000, -0.0343976000000000, -0.0621172300000000 ] - [ 0.0040785800000000, -0.0350421600000000, -0.0612073800000000 ] - [ 0.0033583000000000, -0.0351925400000000, -0.0606886900000000 ] - [ 0.0020303400000000, -0.0349822100000000, -0.0609109100000000 ] - [ -0.0017512200000000, 0.0013584000000000, -0.0127921200000000 ] - [ 0.0002795400000000, 0.0018067100000000, -0.0137336000000000 ] - [ -0.0004393300000000, -0.0028449300000000, -0.0098658000000000 ] - [ -0.0011959600000000, -0.0018062600000000, -0.0109683500000000 ] - [ 0.0009681300000000, 0.0105040000000000, -0.0253264900000000 ] - [ 0.0005702400000000, -0.0014492700000000, -0.0118543400000000 ] - [ 0.0004755300000000, -0.0089568800000000, -0.0049426400000000 ] - [ 0.0006987500000000, -0.0024982800000000, -0.0112345700000000 ] - [ -0.0195672100000000, 0.0082303900000000, 0.0228290500000000 ] - [ 0.0038952200000000, 0.0127309200000000, 0.0270366300000000 ] - [ 0.0069483900000000, 0.0121232000000000, 0.0302105000000000 ] - [ -0.0012977000000000, 0.0143876000000000, 0.0278726800000000 ] - [ 0.0181196900000000, 0.0123851300000000, 0.0216772100000000 ] - [ -0.0035603800000000, 0.0122793500000000, 0.0269642600000000 ] - [ -0.0085194400000000, 0.0072496300000000, 0.0291450400000000 ] - [ 0.0020723000000000, 0.0102941300000000, 0.0272612300000000 ] - [ 0.0149234900000000, 0.0308635200000000, -0.0401635100000000 ] - [ -0.0006407200000000, -0.0010913400000000, -0.0009761400000000 ] - [ 0.0000540200000000, -0.0205932900000000, 0.0077292500000000 ] - [ -0.0013579100000000, -0.0022379200000000, -0.0001691400000000 ] - [ -0.0005941000000000, 0.0024858100000000, -0.0046661400000000 ] - [ 0.0037493600000000, -0.0036243900000000, 0.0034522000000000 ] - [ 0.0018864000000000, -0.0048414400000000, 0.0009145600000000 ] - [ -0.0002383300000000, -0.0031659800000000, -0.0001161300000000 ] - [ -0.0003411300000000, 0.0100821000000000, 0.0043808400000000 ] - [ 0.0034774600000000, 0.0000657200000000, 0.0011989300000000 ] - [ 0.0021090100000000, -0.0046739100000000, -0.0000004900000000 ] - [ -0.0001395100000000, -0.0020022400000000, -0.0010674400000000 ] - [ -0.0064391600000000, 0.0380112800000000, -0.0643091100000000 ] - [ 0.0067786900000000, 0.0244245000000000, -0.0619862000000000 ] - [ -0.0020477600000000, 0.0161385100000000, -0.0584187500000000 ] - [ -0.0015214300000000, 0.0205036100000000, -0.0606315100000000 ] - [ 0.0046202900000000, 0.0193552200000000, -0.0005571800000000 ] - [ 0.0024261200000000, -0.0035721600000000, 0.0049077800000000 ] - [ 0.0009621700000000, -0.0148494800000000, 0.0062177200000000 ] - [ 0.0016142700000000, -0.0038932000000000, 0.0048386300000000 ] - [ -0.0038425400000000, 0.0031659200000000, 0.0054520800000000 ] - [ 0.0035765300000000, -0.0031640800000000, -0.0014874300000000 ] - [ 0.0002895900000000, -0.0049000400000000, 0.0035272800000000 ] - [ -0.0031650300000000, -0.0040249000000000, 0.0035453800000000 ] - [ -0.0012095100000000, 0.0055237700000000, -0.0142595400000000 ] - [ 0.0018497000000000, 0.0025827700000000, -0.0094323700000000 ] - [ 0.0009893500000000, -0.0034304800000000, -0.0125050800000000 ] - [ -0.0026075400000000, -0.0020340800000000, -0.0114650400000000 ] - [ 0.0032897000000000, 0.0292022500000000, 0.0066581600000000 ] - [ 0.0013003700000000, 0.0023181700000000, -0.0112499100000000 ] - [ 0.0004129800000000, -0.0070977400000000, -0.0128033700000000 ] - [ 0.0007595900000000, 0.0016547000000000, -0.0113659900000000 ] - [ 0.0013497800000000, -0.0075783000000000, 0.0222455400000000 ] - [ 0.0002070700000000, -0.0132737300000000, 0.0276909500000000 ] - [ -0.0005862300000000, -0.0173876800000000, 0.0295704100000000 ] - [ -0.0002681600000000, -0.0144408300000000, 0.0277854500000000 ] - [ -0.0018468400000000, -0.0046894900000000, 0.0265702300000000 ] - [ 0.0014040000000000, -0.0105769000000000, 0.0261866100000000 ] - [ -0.0010930200000000, -0.0147595700000000, 0.0257463000000000 ] - [ -0.0011336400000000, -0.0119216800000000, 0.0266033300000000 ] - [ -0.0019483800000000, -0.0019008500000000, -0.0001676200000000 ] - [ -0.0011991400000000, 0.0012871100000000, -0.0011137900000000 ] - [ 0.0001791800000000, 0.0058418300000000, -0.0074093200000000 ] - [ -0.0011233900000000, 0.0017122900000000, -0.0006382300000000 ] - [ 0.0017067200000000, -0.0001177900000000, -0.0008066500000000 ] - [ 0.0003004200000000, 0.0009354600000000, -0.0021404700000000 ] - [ -0.0005146400000000, 0.0033986300000000, -0.0022541000000000 ] - [ 0.0011169600000000, 0.0013119700000000, -0.0018164600000000 ] - [ 0.0005234800000000, 0.0032355300000000, -0.0025852500000000 ] - [ 0.0005223300000000, 0.0019838400000000, -0.0011836100000000 ] - [ 0.0002788800000000, -0.0006627000000000, 0.0001634800000000 ] - [ 0.0004711500000000, -0.0001081800000000, 0.0000266400000000 ] - [ 0.0000883600000000, -0.0195056600000000, -0.0616104900000000 ] - [ -0.0019688700000000, -0.0208792500000000, -0.0611327500000000 ] - [ -0.0024161000000000, -0.0230171900000000, -0.0612280300000000 ] - [ -0.0005874300000000, -0.0221213700000000, -0.0609848000000000 ] - [ 0.0027534800000000, -0.0005921900000000, -0.0086308500000000 ] - [ 0.0015737800000000, 0.0035900700000000, 0.0044590000000000 ] - [ 0.0013040000000000, 0.0031515100000000, 0.0105405000000000 ] - [ 0.0013959800000000, 0.0040312300000000, 0.0048463500000000 ] - [ -0.0000705100000000, 0.0010843000000000, 0.0013041000000000 ] - [ -0.0026217800000000, 0.0017191800000000, 0.0024878200000000 ] - [ -0.0018555000000000, 0.0022330900000000, 0.0041382900000000 ] - [ -0.0007505200000000, 0.0024149100000000, 0.0050181100000000 ]- atom: 29 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0018837200000000, 0.0205496600000000, 0.0096807200000000 ] - [ 0.0026106700000000, 0.0086509700000000, 0.0058521300000000 ] - [ 0.0032701400000000, -0.0020561600000000, 0.0037610600000000 ] - [ 0.0017633300000000, 0.0042305300000000, 0.0047376800000000 ] - [ -0.0268971300000000, -0.0229222600000000, 0.0100999700000000 ] - [ 0.0001887400000000, -0.0029718200000000, -0.0040421000000000 ] - [ 0.0248338200000000, -0.0284449500000000, -0.0141988700000000 ] - [ -0.0021939900000000, -0.0016157100000000, -0.0046978500000000 ] - [ 0.0174577500000000, -0.0194460200000000, 0.0221226000000000 ] - [ 0.0019015400000000, -0.0042990500000000, 0.0042103700000000 ] - [ -0.0162499600000000, -0.0262202000000000, -0.0035069000000000 ] - [ 0.0040804200000000, -0.0084235200000000, 0.0043752400000000 ] - [ -0.0022427900000000, 0.0088409900000000, -0.0033400400000000 ] - [ -0.0012061100000000, 0.0036228100000000, -0.0050807700000000 ] - [ -0.0025630700000000, -0.0046679800000000, -0.0076504400000000 ] - [ -0.0009490800000000, 0.0003348700000000, -0.0055072900000000 ] - [ -0.0235752800000000, -0.0126876300000000, -0.0215643400000000 ] - [ 0.0051254000000000, -0.0224172600000000, -0.0275553000000000 ] - [ -0.0031810500000000, -0.0234004400000000, -0.0219490300000000 ] - [ -0.0165987900000000, -0.0163854700000000, -0.0251256900000000 ] - [ 0.0214872500000000, -0.0488256900000000, -0.0892653500000000 ] - [ 0.0104584600000000, -0.0148022600000000, -0.0231403200000000 ] - [ 0.0164455100000000, -0.0519122300000000, 0.0011465700000000 ] - [ 0.0106603400000000, -0.0150347600000000, -0.0237862500000000 ] - [ 0.0494660100000000, -0.0112468800000000, 0.0680447800000000 ] - [ 0.0380023200000000, -0.0119019200000000, 0.0650832700000000 ] - [ 0.0187075900000000, -0.0314435600000000, 0.0672732600000000 ] - [ 0.0192148400000000, -0.0312909000000000, 0.0688442000000000 ] - [ -0.0225203300000000, 0.2531545300000000, 0.0617124900000000 ] - [ -0.0153467100000000, -0.0240423000000000, 0.0684748900000000 ] - [ -0.0245433100000000, -0.0504356400000000, 0.0714082000000000 ] - [ -0.0218868900000000, -0.0241426600000000, 0.0686044600000000 ] - [ -0.0074549800000000, 0.0219143900000000, -0.0310713700000000 ] - [ -0.0111585300000000, 0.0225339600000000, -0.0249394600000000 ] - [ -0.0110950500000000, 0.0143783000000000, -0.0256990400000000 ] - [ -0.0101203000000000, 0.0141104200000000, -0.0257314200000000 ] - [ 0.0164304100000000, 0.0644967100000000, -0.0469882100000000 ] - [ 0.0112432700000000, 0.0155706900000000, -0.0240267200000000 ] - [ 0.0098356100000000, 0.0063141500000000, -0.0229624000000000 ] - [ 0.0094862600000000, 0.0146662500000000, -0.0236196800000000 ] - [ -0.0231455900000000, 0.0285341500000000, 0.0587893700000000 ] - [ -0.0215277900000000, 0.0237726300000000, 0.0673636700000000 ] - [ -0.0218667500000000, 0.0186524100000000, 0.0699186900000000 ] - [ -0.0219574900000000, 0.0225800100000000, 0.0684406300000000 ] - [ 0.0175899100000000, 0.0283679500000000, 0.0645362500000000 ] - [ 0.0218227400000000, 0.0274978200000000, 0.0647541000000000 ] - [ 0.0210515400000000, 0.0245628200000000, 0.0676472800000000 ] - [ 0.0187854600000000, 0.0252970100000000, 0.0670639400000000 ] - [ -0.0250748400000000, -0.0953302300000000, -0.0069455000000000 ] - [ 0.0017998200000000, -0.0034886100000000, -0.0029293200000000 ] - [ 0.0033305100000000, 0.0144259200000000, -0.0001653400000000 ] - [ 0.0024734800000000, -0.0022422200000000, -0.0015000300000000 ] - [ 0.0049285200000000, 0.0091908500000000, -0.0607685400000000 ] - [ -0.0046638200000000, 0.0337803800000000, -0.0607264700000000 ] - [ 0.0031267200000000, 0.0418988300000000, -0.0605616300000000 ] - [ 0.0022173900000000, 0.0359868800000000, -0.0609580500000000 ] - [ 0.0018442600000000, -0.0061863000000000, 0.0059080200000000 ] - [ 0.0024292400000000, 0.0019012100000000, -0.0012716200000000 ] - [ 0.0021378200000000, 0.0067257800000000, -0.0034811500000000 ] - [ 0.0024890900000000, 0.0033238300000000, -0.0021447500000000 ] - [ 0.0048702400000000, -0.0358138300000000, -0.0596710500000000 ] - [ 0.0009934700000000, -0.0351739800000000, -0.0605715100000000 ] - [ 0.0017107400000000, -0.0350246400000000, -0.0610887600000000 ] - [ 0.0030364900000000, -0.0352343200000000, -0.0608668900000000 ] - [ 0.0004246700000000, -0.0023048000000000, -0.0104622600000000 ] - [ -0.0015961000000000, -0.0027482000000000, -0.0095253000000000 ] - [ -0.0008825800000000, 0.0018763800000000, -0.0133751400000000 ] - [ -0.0001222400000000, 0.0008440200000000, -0.0122786600000000 ] - [ -0.0001493000000000, -0.0144430600000000, 0.0022771700000000 ] - [ 0.0002314600000000, -0.0025799000000000, -0.0110753600000000 ] - [ 0.0003325100000000, 0.0048919100000000, -0.0179750900000000 ] - [ 0.0001039700000000, -0.0015339800000000, -0.0116939800000000 ] - [ 0.0189733700000000, 0.0193193500000000, 0.0323913500000000 ] - [ -0.0043866800000000, 0.0148688400000000, 0.0282473000000000 ] - [ -0.0074199500000000, 0.0154495700000000, 0.0250957400000000 ] - [ 0.0007918500000000, 0.0132127000000000, 0.0274176800000000 ] - [ -0.0198292000000000, 0.0101536200000000, 0.0318011300000000 ] - [ 0.0017162600000000, 0.0102644200000000, 0.0265607400000000 ] - [ 0.0066749300000000, 0.0152666100000000, 0.0243844200000000 ] - [ -0.0038994500000000, 0.0122387100000000, 0.0262725200000000 ] - [ -0.0182521500000000, -0.0343740400000000, 0.0410792800000000 ] - [ -0.0022275900000000, -0.0019704400000000, -0.0001448700000000 ] - [ -0.0029127000000000, 0.0174329100000000, -0.0088311100000000 ] - [ -0.0015147800000000, -0.0008168400000000, -0.0009584900000000 ] - [ 0.0021704700000000, -0.0056364800000000, 0.0022887400000000 ] - [ -0.0021438400000000, 0.0004428000000000, -0.0057806300000000 ] - [ -0.0002869400000000, 0.0017022000000000, -0.0032927500000000 ] - [ 0.0018127400000000, 0.0000370100000000, -0.0022741500000000 ] - [ 0.0015825400000000, -0.0114753400000000, -0.0047654000000000 ] - [ -0.0022486400000000, -0.0015151300000000, -0.0016121700000000 ] - [ -0.0008882900000000, 0.0031816900000000, -0.0004426800000000 ] - [ 0.0013699100000000, 0.0005230900000000, 0.0006358200000000 ] - [ 0.0041174100000000, 0.0052327100000000, -0.0575116400000000 ] - [ -0.0094549300000000, 0.0189535800000000, -0.0599508400000000 ] - [ -0.0006280900000000, 0.0271904400000000, -0.0635347800000000 ] - [ -0.0012026100000000, 0.0228309500000000, -0.0613341800000000 ] - [ -0.0026510300000000, -0.0293938300000000, 0.0077973200000000 ] - [ 0.0000158500000000, -0.0040840800000000, 0.0045664600000000 ] - [ 0.0014850400000000, 0.0071671600000000, 0.0033209700000000 ] - [ 0.0008320600000000, -0.0037584600000000, 0.0046428400000000 ] - [ 0.0013405400000000, -0.0072004200000000, 0.0018604000000000 ] - [ -0.0060839200000000, -0.0008675400000000, 0.0088404000000000 ] - [ -0.0027627700000000, 0.0008822900000000, 0.0038131100000000 ] - [ 0.0006724200000000, 0.0000145800000000, 0.0037998400000000 ] - [ -0.0001056000000000, -0.0045446400000000, -0.0090262400000000 ] - [ -0.0031488900000000, -0.0016148300000000, -0.0137970400000000 ] - [ -0.0022961200000000, 0.0043617200000000, -0.0107439400000000 ] - [ 0.0012865200000000, 0.0029765000000000, -0.0117835300000000 ] - [ -0.0024403100000000, -0.0249401000000000, -0.0295593400000000 ] - [ -0.0004963300000000, 0.0017114700000000, -0.0116778000000000 ] - [ 0.0003897100000000, 0.0111175800000000, -0.0100973700000000 ] - [ 0.0000404300000000, 0.0023727800000000, -0.0115647300000000 ] - [ -0.0018568300000000, -0.0200174600000000, 0.0330476700000000 ] - [ -0.0007135200000000, -0.0143247000000000, 0.0275947900000000 ] - [ 0.0000714700000000, -0.0102304100000000, 0.0257311700000000 ] - [ -0.0002333900000000, -0.0131619500000000, 0.0275040200000000 ] - [ 0.0000073700000000, -0.0178369200000000, 0.0269676100000000 ] - [ -0.0032374200000000, -0.0119656100000000, 0.0273431900000000 ] - [ -0.0007327400000000, -0.0077872600000000, 0.0277869300000000 ] - [ -0.0007084500000000, -0.0106216200000000, 0.0269272700000000 ] - [ -0.0009176800000000, 0.0049583900000000, -0.0009427200000000 ] - [ -0.0016721800000000, 0.0017722000000000, -0.0000118500000000 ] - [ -0.0030518000000000, -0.0027910800000000, 0.0062319100000000 ] - [ -0.0017480800000000, 0.0013454700000000, -0.0004876700000000 ] - [ -0.0001214400000000, 0.0032536100000000, -0.0015774700000000 ] - [ 0.0012820700000000, 0.0022012700000000, -0.0002444700000000 ] - [ 0.0021001700000000, -0.0002601900000000, -0.0001303600000000 ] - [ 0.0004702100000000, 0.0018196200000000, -0.0005677900000000 ] - [ 0.0007018000000000, -0.0017584900000000, 0.0021501500000000 ] - [ 0.0007035600000000, -0.0005070500000000, 0.0007506900000000 ] - [ 0.0009450600000000, 0.0021258900000000, -0.0005891000000000 ] - [ 0.0007575500000000, 0.0015745700000000, -0.0004500400000000 ] - [ -0.0027805800000000, -0.0238196400000000, -0.0603607300000000 ] - [ -0.0007435900000000, -0.0224609200000000, -0.0608362400000000 ] - [ -0.0002904800000000, -0.0203367700000000, -0.0607463500000000 ] - [ -0.0021191300000000, -0.0212232700000000, -0.0609843300000000 ] - [ -0.0002913800000000, 0.0082473900000000, 0.0180824900000000 ] - [ 0.0008711000000000, 0.0040647600000000, 0.0050243100000000 ] - [ 0.0011470100000000, 0.0044689300000000, -0.0010299400000000 ] - [ 0.0010495700000000, 0.0036217200000000, 0.0046364100000000 ] - [ -0.0024006300000000, 0.0029304400000000, 0.0060277800000000 ] - [ 0.0001359600000000, 0.0022970300000000, 0.0048494400000000 ] - [ -0.0006296500000000, 0.0017735300000000, 0.0031994200000000 ] - [ -0.0017313500000000, 0.0015967300000000, 0.0023256500000000 ]- atom: 29 displacement: [ 0.0000055737063633, 0.0000000000000000, 0.0099999984466897 ] forces: - [ -0.0125143700000000, 0.0129387700000000, 0.0260149400000000 ] - [ 0.0022416300000000, 0.0061256300000000, 0.0053274600000000 ] - [ -0.0005174400000000, 0.0052378300000000, 0.0075383500000000 ] - [ 0.0023472500000000, 0.0060920900000000, 0.0053402400000000 ] - [ -0.0094465400000000, -0.0176695700000000, -0.0191237700000000 ] - [ -0.0005851200000000, -0.0027571700000000, -0.0059763100000000 ] - [ -0.0158468600000000, 0.0120535900000000, -0.0130776600000000 ] - [ -0.0004477700000000, -0.0007838300000000, -0.0063496500000000 ] - [ 0.0191297300000000, -0.0262205900000000, 0.0067696400000000 ] - [ 0.0010394700000000, -0.0072701000000000, 0.0041443100000000 ] - [ 0.0131525400000000, 0.0109183600000000, 0.0065419900000000 ] - [ 0.0012174000000000, -0.0052511900000000, 0.0043451200000000 ] - [ 0.0022117000000000, 0.0038676000000000, 0.0065335800000000 ] - [ -0.0023768700000000, 0.0025689700000000, -0.0033151000000000 ] - [ 0.0003769800000000, 0.0013797300000000, -0.0013995900000000 ] - [ -0.0022030000000000, 0.0019913600000000, -0.0039603700000000 ] - [ -0.0022299700000000, -0.0195014000000000, -0.0258229300000000 ] - [ -0.0187322100000000, -0.0155672300000000, -0.0272383600000000 ] - [ -0.0004452900000000, -0.0190121700000000, -0.0268344700000000 ] - [ -0.0199761500000000, -0.0174310600000000, -0.0257006900000000 ] - [ 0.0049395900000000, 0.0066146200000000, 0.0039887200000000 ] - [ 0.0093963400000000, -0.0156159000000000, -0.0241360100000000 ] - [ 0.0247388700000000, -0.0748557100000000, 0.0001192900000000 ] - [ 0.0087166700000000, -0.0150307600000000, -0.0240749000000000 ] - [ 0.0166663900000000, -0.0280723200000000, 0.0601075400000000 ] - [ 0.0288263100000000, -0.0227790800000000, 0.0542901500000000 ] - [ 0.0223884100000000, -0.0253205500000000, 0.0644804000000000 ] - [ 0.0194121800000000, -0.0272523300000000, 0.0621752200000000 ] - [ -0.0150955800000000, -0.0154234500000000, -0.2022302700000000 ] - [ -0.0206901600000000, -0.0232098100000000, 0.0663514200000000 ] - [ -0.0236381500000000, -0.0262001100000000, 0.0552731500000000 ] - [ -0.0218822100000000, -0.0233242900000000, 0.0673963100000000 ] - [ -0.0210818400000000, 0.0166617700000000, -0.0227053900000000 ] - [ 0.0026216700000000, 0.0204107100000000, -0.0220231800000000 ] - [ -0.0104476400000000, 0.0176026400000000, -0.0251369600000000 ] - [ -0.0076863500000000, 0.0179076300000000, -0.0240906800000000 ] - [ 0.0084060600000000, 0.0364213900000000, 0.0487585600000000 ] - [ 0.0096605100000000, 0.0150606200000000, -0.0228031200000000 ] - [ 0.0076948000000000, 0.0135949400000000, -0.0221262300000000 ] - [ 0.0097252500000000, 0.0149288100000000, -0.0232214700000000 ] - [ -0.0204141200000000, 0.0135696300000000, 0.0844403500000000 ] - [ -0.0224292100000000, 0.0220893600000000, 0.0693912700000000 ] - [ -0.0234918100000000, 0.0246057700000000, 0.0837543800000000 ] - [ -0.0223779300000000, 0.0231624200000000, 0.0695034600000000 ] - [ 0.0187741000000000, 0.0248108200000000, 0.0703586900000000 ] - [ 0.0193943500000000, 0.0247309400000000, 0.0724190800000000 ] - [ 0.0207221200000000, 0.0269150800000000, 0.0705411200000000 ] - [ 0.0197936500000000, 0.0264035000000000, 0.0733839900000000 ] - [ 0.0073941900000000, 0.0091119100000000, 0.0187675800000000 ] - [ 0.0023893200000000, -0.0019227700000000, -0.0010593800000000 ] - [ -0.0004606700000000, 0.0061236300000000, 0.0126412900000000 ] - [ 0.0024562500000000, -0.0026628400000000, -0.0012826300000000 ] - [ 0.0020138700000000, 0.0398918100000000, -0.0456702400000000 ] - [ -0.0003493900000000, 0.0340578500000000, -0.0590549000000000 ] - [ -0.0005801000000000, 0.0359999500000000, -0.0586527800000000 ] - [ 0.0025454900000000, 0.0354936800000000, -0.0601905900000000 ] - [ 0.0055349000000000, 0.0141436200000000, -0.0231320900000000 ] - [ 0.0028584600000000, 0.0034606800000000, -0.0032386600000000 ] - [ 0.0031760800000000, 0.0039755000000000, -0.0053087900000000 ] - [ 0.0027939500000000, 0.0029574500000000, -0.0025812000000000 ] - [ 0.0041082300000000, -0.0334350000000000, -0.0630517200000000 ] - [ 0.0027883500000000, -0.0346911100000000, -0.0616233500000000 ] - [ 0.0022521000000000, -0.0349338500000000, -0.0631226100000000 ] - [ 0.0027877700000000, -0.0350848800000000, -0.0616774000000000 ] - [ -0.0015522600000000, -0.0001676000000000, -0.0132041800000000 ] - [ 0.0013998500000000, -0.0012299700000000, -0.0131492700000000 ] - [ -0.0016590300000000, -0.0000983100000000, -0.0129140800000000 ] - [ 0.0007759200000000, 0.0002998200000000, -0.0138683300000000 ] - [ -0.0007327200000000, -0.0021417900000000, -0.0210306200000000 ] - [ 0.0004048400000000, -0.0019442900000000, -0.0118666800000000 ] - [ -0.0001537800000000, 0.0045317900000000, -0.0231310700000000 ] - [ 0.0004245200000000, -0.0020221800000000, -0.0118415000000000 ] - [ -0.0090244000000000, 0.0116820100000000, 0.0252516900000000 ] - [ 0.0019030700000000, 0.0132896000000000, 0.0274921500000000 ] - [ -0.0130625200000000, 0.0165559600000000, 0.0253957800000000 ] - [ 0.0025210200000000, 0.0132097000000000, 0.0272954600000000 ] - [ 0.0082946400000000, 0.0089936900000000, 0.0257991200000000 ] - [ -0.0029280900000000, 0.0116594900000000, 0.0267082300000000 ] - [ 0.0092501400000000, 0.0169006200000000, 0.0243604300000000 ] - [ -0.0028356200000000, 0.0115280800000000, 0.0265993500000000 ] - [ -0.0315699600000000, -0.0302759500000000, 0.0970453200000000 ] - [ -0.0014310900000000, -0.0022308900000000, 0.0002669600000000 ] - [ -0.0003382300000000, -0.0085000100000000, 0.0026320000000000 ] - [ -0.0016070500000000, -0.0016610800000000, -0.0002725200000000 ] - [ 0.0048212300000000, -0.0034365600000000, 0.0040696300000000 ] - [ 0.0006075300000000, -0.0040430900000000, 0.0018743000000000 ] - [ 0.0019201500000000, -0.0028307400000000, 0.0007380000000000 ] - [ 0.0001572200000000, -0.0021856400000000, -0.0007345400000000 ] - [ 0.0000666300000000, 0.0011984900000000, 0.0018981200000000 ] - [ 0.0008080700000000, 0.0016614000000000, 0.0032175000000000 ] - [ 0.0007231100000000, -0.0005047700000000, 0.0019550900000000 ] - [ 0.0015186900000000, 0.0004535700000000, 0.0022046600000000 ] - [ 0.0086436900000000, 0.0137574000000000, -0.0458269000000000 ] - [ -0.0024985100000000, 0.0210953000000000, -0.0594221900000000 ] - [ 0.0007593600000000, 0.0196937900000000, -0.0571131600000000 ] - [ -0.0021543100000000, 0.0213515600000000, -0.0603481700000000 ] - [ 0.0069103000000000, 0.0173284100000000, 0.0398109100000000 ] - [ 0.0010057900000000, -0.0038149300000000, 0.0050485900000000 ] - [ 0.0030725800000000, 0.0004734200000000, 0.0104212800000000 ] - [ 0.0012498600000000, -0.0033931500000000, 0.0051010100000000 ] - [ -0.0052973100000000, -0.0014387800000000, 0.0053759100000000 ] - [ -0.0000758000000000, -0.0015880200000000, 0.0055924900000000 ] - [ -0.0030969000000000, 0.0006086100000000, 0.0054180800000000 ] - [ -0.0011459200000000, -0.0010900700000000, 0.0046330500000000 ] - [ 0.0014761500000000, 0.0012716100000000, -0.0105297500000000 ] - [ -0.0032426100000000, 0.0006865800000000, -0.0097730600000000 ] - [ 0.0001990600000000, -0.0010299700000000, -0.0112704700000000 ] - [ -0.0021531000000000, -0.0008633700000000, -0.0107317600000000 ] - [ -0.0005521500000000, 0.0007835200000000, -0.0104016700000000 ] - [ 0.0003609000000000, 0.0022178100000000, -0.0109259000000000 ] - [ 0.0013945200000000, -0.0016396200000000, -0.0093723000000000 ] - [ 0.0002448500000000, 0.0017506200000000, -0.0112352800000000 ] - [ 0.0126994300000000, -0.0160807500000000, 0.0243672600000000 ] - [ -0.0037675000000000, -0.0147610300000000, 0.0277044400000000 ] - [ 0.0007307500000000, -0.0136055100000000, 0.0277272400000000 ] - [ -0.0011872000000000, -0.0139329900000000, 0.0276101500000000 ] - [ -0.0138439200000000, -0.0124334100000000, 0.0217483200000000 ] - [ 0.0019696000000000, -0.0109174600000000, 0.0267173800000000 ] - [ -0.0012301600000000, -0.0130603200000000, 0.0259964900000000 ] - [ -0.0007598800000000, -0.0113257800000000, 0.0267398300000000 ] - [ -0.0005734400000000, 0.0039791600000000, -0.0041864700000000 ] - [ -0.0013588200000000, 0.0015587200000000, -0.0007876100000000 ] - [ -0.0017082000000000, -0.0091703200000000, -0.0109388600000000 ] - [ -0.0013260000000000, 0.0008110800000000, -0.0012454000000000 ] - [ -0.0004008000000000, 0.0016723700000000, -0.0036066300000000 ] - [ 0.0008371500000000, 0.0016448400000000, -0.0016022100000000 ] - [ -0.0010880700000000, -0.0007035000000000, -0.0050854000000000 ] - [ 0.0015374800000000, -0.0007453400000000, -0.0032843300000000 ] - [ 0.0010869400000000, 0.0023157700000000, -0.0029461400000000 ] - [ -0.0006508700000000, 0.0027100800000000, -0.0037201600000000 ] - [ 0.0003630100000000, 0.0009018600000000, -0.0010715500000000 ] - [ 0.0004406500000000, 0.0014123600000000, -0.0015188300000000 ] - [ -0.0026790000000000, -0.0237464800000000, -0.0659878100000000 ] - [ -0.0011331200000000, -0.0215527300000000, -0.0616837900000000 ] - [ -0.0010373200000000, -0.0225205900000000, -0.0636147700000000 ] - [ -0.0015464100000000, -0.0218210200000000, -0.0615610500000000 ] - [ 0.0010179500000000, 0.0041937900000000, -0.0027884700000000 ] - [ 0.0011477800000000, 0.0042290500000000, 0.0042391300000000 ] - [ -0.0007909200000000, 0.0082565700000000, -0.0058816100000000 ] - [ 0.0012276400000000, 0.0038926300000000, 0.0043790500000000 ] - [ 0.0000129100000000, 0.0027183800000000, 0.0016679300000000 ] - [ -0.0017048600000000, 0.0025895700000000, 0.0018910700000000 ] - [ 0.0011179900000000, 0.0040524000000000, 0.0012991800000000 ] - [ -0.0019512500000000, 0.0019849600000000, 0.0024778100000000 ]- atom: 29 displacement: [ -0.0000055737063633, 0.0000000000000000, -0.0099999984466897 ] forces: - [ 0.0158884600000000, -0.0004309100000000, -0.0162108700000000 ] - [ 0.0011920300000000, 0.0063800400000000, 0.0043663500000000 ] - [ 0.0039877100000000, 0.0072528500000000, 0.0021723600000000 ] - [ 0.0010926200000000, 0.0064191300000000, 0.0043729200000000 ] - [ 0.0064605300000000, 0.0135534300000000, 0.0095091500000000 ] - [ -0.0024785000000000, -0.0014058100000000, -0.0038193100000000 ] - [ 0.0129270600000000, -0.0163042500000000, 0.0033892000000000 ] - [ -0.0026127300000000, -0.0033921900000000, -0.0034493800000000 ] - [ -0.0158714600000000, 0.0139542400000000, 0.0029660400000000 ] - [ 0.0023931700000000, -0.0052413200000000, 0.0055864600000000 ] - [ -0.0098034900000000, -0.0235844400000000, 0.0031675500000000 ] - [ 0.0022249600000000, -0.0072587800000000, 0.0053855000000000 ] - [ -0.0052122300000000, 0.0002893000000000, -0.0163651000000000 ] - [ -0.0006816700000000, 0.0016055100000000, -0.0065078600000000 ] - [ -0.0034312300000000, 0.0027792000000000, -0.0084419400000000 ] - [ -0.0008476700000000, 0.0021816400000000, -0.0058602400000000 ] - [ -0.0171286600000000, -0.0160255900000000, -0.0252121900000000 ] - [ -0.0005293400000000, -0.0199606400000000, -0.0237540800000000 ] - [ -0.0188438700000000, -0.0164217300000000, -0.0242111600000000 ] - [ 0.0006916800000000, -0.0181106600000000, -0.0252844800000000 ] - [ 0.0137884500000000, -0.0368864200000000, -0.0512629300000000 ] - [ 0.0092655400000000, -0.0147325900000000, -0.0229633600000000 ] - [ -0.0060768600000000, 0.0444717000000000, -0.0471396600000000 ] - [ 0.0099413200000000, -0.0153125700000000, -0.0230264600000000 ] - [ 0.0229552900000000, -0.0243350600000000, 0.0737652100000000 ] - [ 0.0111682700000000, -0.0295534200000000, 0.0796855000000000 ] - [ 0.0176463700000000, -0.0270167400000000, 0.0695108900000000 ] - [ 0.0206197300000000, -0.0250834300000000, 0.0718174700000000 ] - [ -0.0271722500000000, -0.0260921900000000, 0.3343318800000000 ] - [ -0.0239332300000000, -0.0227811500000000, 0.0701954500000000 ] - [ -0.0209489400000000, -0.0198482400000000, 0.0813532400000000 ] - [ -0.0227335700000000, -0.0226817400000000, 0.0691822000000000 ] - [ 0.0018916600000000, 0.0189130700000000, -0.0282406300000000 ] - [ -0.0220306000000000, 0.0150493300000000, -0.0289795500000000 ] - [ -0.0088404300000000, 0.0179200800000000, -0.0258351600000000 ] - [ -0.0116245300000000, 0.0176194600000000, -0.0268947800000000 ] - [ 0.0103078000000000, -0.0063860600000000, -0.0968416600000000 ] - [ 0.0089959800000000, 0.0152847100000000, -0.0242950100000000 ] - [ 0.0110028500000000, 0.0167670200000000, -0.0249609400000000 ] - [ 0.0089434100000000, 0.0154186300000000, -0.0238719000000000 ] - [ -0.0242025900000000, 0.0326106400000000, 0.0520068200000000 ] - [ -0.0221876900000000, 0.0239249300000000, 0.0671690200000000 ] - [ -0.0210733100000000, 0.0213327300000000, 0.0527131900000000 ] - [ -0.0222367200000000, 0.0228428100000000, 0.0670595300000000 ] - [ 0.0212949500000000, 0.0275361600000000, 0.0635844800000000 ] - [ 0.0206206600000000, 0.0276327900000000, 0.0615176400000000 ] - [ 0.0193411800000000, 0.0254107100000000, 0.0634040900000000 ] - [ 0.0202239400000000, 0.0259223700000000, 0.0605534600000000 ] - [ -0.0018783300000000, -0.0138177000000000, -0.0223276400000000 ] - [ 0.0029920900000000, -0.0036119800000000, -0.0030828000000000 ] - [ 0.0058337400000000, -0.0116491800000000, -0.0168629300000000 ] - [ 0.0029228500000000, -0.0028777300000000, -0.0028585000000000 ] - [ 0.0023025700000000, 0.0304801800000000, -0.0758116400000000 ] - [ 0.0054323500000000, 0.0361202000000000, -0.0626818000000000 ] - [ 0.0056436300000000, 0.0342195300000000, -0.0631403600000000 ] - [ 0.0025308300000000, 0.0347195700000000, -0.0615936300000000 ] - [ -0.0001783800000000, -0.0087076200000000, 0.0191378400000000 ] - [ 0.0025193900000000, 0.0020732700000000, -0.0008914600000000 ] - [ 0.0021901600000000, 0.0015823300000000, 0.0011822800000000 ] - [ 0.0025821400000000, 0.0025828500000000, -0.0015544500000000 ] - [ 0.0009213200000000, -0.0368020000000000, -0.0587114400000000 ] - [ 0.0022926400000000, -0.0355299500000000, -0.0601505100000000 ] - [ 0.0027794900000000, -0.0352715300000000, -0.0586452200000000 ] - [ 0.0022927200000000, -0.0351301600000000, -0.0600979200000000 ] - [ 0.0002293800000000, -0.0007995900000000, -0.0100233300000000 ] - [ -0.0027194400000000, 0.0002664500000000, -0.0100903300000000 ] - [ 0.0003372500000000, -0.0008673700000000, -0.0103101200000000 ] - [ -0.0020982800000000, -0.0012536700000000, -0.0093718300000000 ] - [ 0.0015412300000000, -0.0019747600000000, -0.0018231400000000 ] - [ 0.0004023400000000, -0.0020867800000000, -0.0110579800000000 ] - [ 0.0009536000000000, -0.0085725100000000, 0.0002547300000000 ] - [ 0.0003814700000000, -0.0020086300000000, -0.0110819600000000 ] - [ 0.0085910700000000, 0.0159372300000000, 0.0300573400000000 ] - [ -0.0024101400000000, 0.0143152000000000, 0.0277993700000000 ] - [ 0.0125733700000000, 0.0110441900000000, 0.0299333900000000 ] - [ -0.0030220700000000, 0.0143953200000000, 0.0279967200000000 ] - [ -0.0102091200000000, 0.0135121900000000, 0.0277460100000000 ] - [ 0.0011238600000000, 0.0108797100000000, 0.0268260200000000 ] - [ -0.0111299900000000, 0.0056456100000000, 0.0291637300000000 ] - [ 0.0010228600000000, 0.0110005700000000, 0.0269392000000000 ] - [ 0.0267527500000000, 0.0233248200000000, -0.0919440700000000 ] - [ -0.0014309500000000, -0.0008253000000000, -0.0013980400000000 ] - [ -0.0025484700000000, 0.0054990000000000, -0.0037832900000000 ] - [ -0.0012617900000000, -0.0013935700000000, -0.0008572700000000 ] - [ -0.0032155100000000, 0.0003060600000000, -0.0064535000000000 ] - [ 0.0010345800000000, 0.0008538900000000, -0.0041580700000000 ] - [ -0.0003369400000000, -0.0002979900000000, -0.0031281900000000 ] - [ 0.0014341700000000, -0.0009369800000000, -0.0016529800000000 ] - [ 0.0011929000000000, -0.0026216800000000, -0.0022953200000000 ] - [ 0.0004089200000000, -0.0031294400000000, -0.0036597100000000 ] - [ 0.0005005800000000, -0.0009825600000000, -0.0023949200000000 ] - [ -0.0002909900000000, -0.0019236100000000, -0.0026362500000000 ] - [ -0.0105526900000000, 0.0293157100000000, -0.0757293600000000 ] - [ -0.0001971000000000, 0.0222465900000000, -0.0624876400000000 ] - [ -0.0034782100000000, 0.0236620900000000, -0.0648775900000000 ] - [ -0.0005448700000000, 0.0219884900000000, -0.0616252300000000 ] - [ -0.0048515100000000, -0.0269125900000000, -0.0313928200000000 ] - [ 0.0014436600000000, -0.0038381100000000, 0.0044238300000000 ] - [ -0.0006485400000000, -0.0081545600000000, -0.0009789100000000 ] - [ 0.0011995200000000, -0.0042604900000000, 0.0043774600000000 ] - [ 0.0028317000000000, -0.0025816000000000, 0.0019296800000000 ] - [ -0.0024199100000000, -0.0024390900000000, 0.0017130800000000 ] - [ 0.0006338000000000, -0.0046461000000000, 0.0019059500000000 ] - [ -0.0013350200000000, -0.0029233200000000, 0.0026947000000000 ] - [ -0.0027714300000000, -0.0003163700000000, -0.0128068500000000 ] - [ 0.0019842900000000, 0.0002734900000000, -0.0134519400000000 ] - [ -0.0015185700000000, 0.0019875900000000, -0.0119905700000000 ] - [ 0.0008383400000000, 0.0018174100000000, -0.0125264200000000 ] - [ 0.0015956000000000, 0.0040625600000000, -0.0141525900000000 ] - [ 0.0004457500000000, 0.0018081900000000, -0.0120001200000000 ] - [ -0.0006052300000000, 0.0056764100000000, -0.0135770600000000 ] - [ 0.0005591300000000, 0.0022783700000000, -0.0116985800000000 ] - [ -0.0133371400000000, -0.0114871700000000, 0.0309111400000000 ] - [ 0.0033031000000000, -0.0128294800000000, 0.0275785500000000 ] - [ -0.0012491800000000, -0.0139927400000000, 0.0275530700000000 ] - [ 0.0006940800000000, -0.0136702300000000, 0.0276783200000000 ] - [ 0.0121288700000000, -0.0100910800000000, 0.0318157300000000 ] - [ -0.0038104100000000, -0.0116325900000000, 0.0268049100000000 ] - [ -0.0006057500000000, -0.0094733700000000, 0.0275361300000000 ] - [ -0.0010740500000000, -0.0112169800000000, 0.0267881600000000 ] - [ -0.0023039400000000, -0.0009479100000000, 0.0030801600000000 ] - [ -0.0015104200000000, 0.0015000200000000, -0.0003413400000000 ] - [ -0.0011620100000000, 0.0123500800000000, 0.0099364900000000 ] - [ -0.0015436700000000, 0.0022509500000000, 0.0001194700000000 ] - [ 0.0019956900000000, 0.0014555500000000, 0.0012371000000000 ] - [ 0.0007475100000000, 0.0014893600000000, -0.0007829800000000 ] - [ 0.0026921500000000, 0.0038639200000000, 0.0027266900000000 ] - [ 0.0000419400000000, 0.0038824400000000, 0.0009041900000000 ] - [ 0.0001261600000000, -0.0008555500000000, 0.0025212800000000 ] - [ 0.0018900000000000, -0.0012537300000000, 0.0033159000000000 ] - [ 0.0008628100000000, 0.0005716500000000, 0.0006441300000000 ] - [ 0.0007898900000000, 0.0000584400000000, 0.0010952200000000 ] - [ -0.0000121300000000, -0.0196114700000000, -0.0559666900000000 ] - [ -0.0015758100000000, -0.0217852100000000, -0.0602769000000000 ] - [ -0.0016618600000000, -0.0208065500000000, -0.0583384200000000 ] - [ -0.0011629300000000, -0.0215144800000000, -0.0604023900000000 ] - [ 0.0014167300000000, 0.0034878900000000, 0.0124327500000000 ] - [ 0.0013008200000000, 0.0034221300000000, 0.0052496500000000 ] - [ 0.0032359900000000, -0.0005828400000000, 0.0153950600000000 ] - [ 0.0012223600000000, 0.0037577600000000, 0.0051081200000000 ] - [ -0.0024953800000000, 0.0012903800000000, 0.0056858600000000 ] - [ -0.0007722800000000, 0.0014225200000000, 0.0054728800000000 ] - [ -0.0035950500000000, -0.0000351500000000, 0.0060449100000000 ] - [ -0.0005347100000000, 0.0020263500000000, 0.0048808400000000 ]- atom: 49 displacement: [ 0.0099999993466229, 0.0000000000000000, -0.0000036149054082 ] forces: - [ 0.0013870400000000, 0.0038268100000000, 0.0076032100000000 ] - [ 0.0005882500000000, 0.0066038600000000, 0.0043558200000000 ] - [ 0.0014568500000000, 0.0082258500000000, 0.0054620100000000 ] - [ 0.0007199400000000, 0.0059319400000000, 0.0046194100000000 ] - [ 0.0093494100000000, -0.0030190400000000, -0.0118825000000000 ] - [ -0.0027393500000000, -0.0016342700000000, -0.0053597800000000 ] - [ 0.0009954000000000, -0.0015547000000000, -0.0042631400000000 ] - [ -0.0023476200000000, -0.0026030500000000, -0.0050212500000000 ] - [ 0.0012405100000000, -0.0038419300000000, -0.0004979200000000 ] - [ -0.0003661800000000, -0.0064450800000000, 0.0055153600000000 ] - [ 0.0018638000000000, -0.0077134800000000, 0.0046005300000000 ] - [ 0.0003715500000000, -0.0061515600000000, 0.0050897900000000 ] - [ 0.0002256900000000, 0.0021567900000000, -0.0054386600000000 ] - [ -0.0024783800000000, 0.0017345300000000, -0.0046674900000000 ] - [ 0.0006225500000000, 0.0018250600000000, -0.0054285600000000 ] - [ -0.0024320500000000, 0.0026164400000000, -0.0045313900000000 ] - [ -0.0143193600000000, -0.0183250100000000, -0.0292277200000000 ] - [ -0.0190951600000000, -0.0148024500000000, -0.0247948400000000 ] - [ -0.0094989700000000, -0.0170113700000000, -0.0270970100000000 ] - [ -0.0103191300000000, -0.0185071200000000, -0.0250639200000000 ] - [ 0.0351909600000000, -0.0356424200000000, -0.0581972300000000 ] - [ 0.0060475100000000, -0.0156570300000000, -0.0235461000000000 ] - [ 0.0116685800000000, -0.0171307400000000, -0.0231073700000000 ] - [ 0.0080088700000000, -0.0154066200000000, -0.0235682200000000 ] - [ 0.0144288200000000, -0.0251684900000000, 0.0675710100000000 ] - [ 0.0121331700000000, -0.0296079700000000, 0.0664802400000000 ] - [ 0.0183584400000000, -0.0280857800000000, 0.0665021100000000 ] - [ 0.0192956700000000, -0.0253965800000000, 0.0658592400000000 ] - [ 0.0006788500000000, 0.0057641400000000, 0.0729087300000000 ] - [ -0.0266788300000000, -0.0221103900000000, 0.0679853200000000 ] - [ -0.0166312000000000, -0.0236376800000000, 0.0651117700000000 ] - [ -0.0244780100000000, -0.0227864700000000, 0.0680516200000000 ] - [ -0.0095697300000000, 0.0192265800000000, -0.0225885100000000 ] - [ -0.0103273400000000, 0.0172610700000000, -0.0265476600000000 ] - [ -0.0118618700000000, 0.0163874900000000, -0.0233656600000000 ] - [ -0.0096805400000000, 0.0181666600000000, -0.0256182400000000 ] - [ 0.0116957100000000, 0.0158190600000000, -0.0239558100000000 ] - [ 0.0076100100000000, 0.0154024400000000, -0.0233803300000000 ] - [ 0.0126867200000000, 0.0145771100000000, -0.0224805400000000 ] - [ 0.0078030200000000, 0.0153884600000000, -0.0233220300000000 ] - [ -0.0199080300000000, 0.0221376600000000, 0.0711803500000000 ] - [ -0.0241311100000000, 0.0227413100000000, 0.0684557300000000 ] - [ -0.0208266400000000, 0.0224451800000000, 0.0687763200000000 ] - [ -0.0234735400000000, 0.0228004000000000, 0.0683921100000000 ] - [ 0.0207915200000000, 0.0262592900000000, 0.0667070300000000 ] - [ 0.0188408100000000, 0.0260709500000000, 0.0685375300000000 ] - [ 0.0204183300000000, 0.0257726700000000, 0.0674843000000000 ] - [ 0.0195523900000000, 0.0260186800000000, 0.0671793900000000 ] - [ -0.0731834700000000, -0.0162585700000000, 0.0374108300000000 ] - [ 0.0036342400000000, -0.0027834500000000, -0.0022283800000000 ] - [ 0.0015802200000000, -0.0022151200000000, -0.0010594700000000 ] - [ 0.0031201400000000, -0.0025923200000000, -0.0021281300000000 ] - [ 0.0046489300000000, 0.0246059300000000, -0.0633671400000000 ] - [ 0.0064887200000000, 0.0356698400000000, -0.0605784600000000 ] - [ 0.0010234500000000, 0.0397710000000000, -0.0600097400000000 ] - [ 0.0038661500000000, 0.0349702900000000, -0.0608143900000000 ] - [ 0.0020652300000000, 0.0030729100000000, -0.0021335300000000 ] - [ 0.0031166500000000, 0.0028526400000000, -0.0023428000000000 ] - [ 0.0020477200000000, 0.0033085700000000, -0.0027340000000000 ] - [ 0.0030911200000000, 0.0027973300000000, -0.0024157800000000 ] - [ 0.0003129400000000, -0.0353219800000000, -0.0611485600000000 ] - [ 0.0040981700000000, -0.0351045300000000, -0.0610811500000000 ] - [ 0.0013976800000000, -0.0349706700000000, -0.0609899200000000 ] - [ 0.0034158800000000, -0.0349950900000000, -0.0609522700000000 ] - [ -0.0005394500000000, -0.0011100300000000, -0.0104026400000000 ] - [ 0.0003203800000000, 0.0002487300000000, -0.0127978500000000 ] - [ -0.0007029500000000, -0.0005671100000000, -0.0113335700000000 ] - [ -0.0004708400000000, -0.0005201800000000, -0.0118856000000000 ] - [ -0.0022902000000000, 0.0007791200000000, -0.0129895300000000 ] - [ 0.0010158300000000, -0.0019688600000000, -0.0114116100000000 ] - [ -0.0001721400000000, -0.0018694300000000, -0.0121150400000000 ] - [ 0.0008242400000000, -0.0020562300000000, -0.0114100200000000 ] - [ -0.0012209600000000, 0.0183682700000000, 0.0350417400000000 ] - [ 0.0027173800000000, 0.0131735700000000, 0.0273016600000000 ] - [ -0.0015572900000000, 0.0137433300000000, 0.0279365100000000 ] - [ 0.0006137200000000, 0.0139310600000000, 0.0276146100000000 ] - [ 0.0129724200000000, 0.0075952300000000, 0.0177261500000000 ] - [ 0.0019967600000000, 0.0108957600000000, 0.0268849700000000 ] - [ -0.0012744000000000, 0.0113339500000000, 0.0267698400000000 ] - [ -0.0000515000000000, 0.0112113300000000, 0.0268582000000000 ] - [ -0.0024908900000000, 0.0035211700000000, -0.0030332200000000 ] - [ -0.0008809000000000, -0.0015947800000000, -0.0007511500000000 ] - [ -0.0027213300000000, -0.0070101500000000, 0.0013434300000000 ] - [ -0.0008924900000000, -0.0016336400000000, -0.0006043600000000 ] - [ 0.0013124300000000, -0.0004928400000000, -0.0017144500000000 ] - [ 0.0012015900000000, -0.0025955200000000, 0.0002100400000000 ] - [ 0.0013395700000000, -0.0030890800000000, -0.0001164100000000 ] - [ 0.0012188000000000, -0.0010617700000000, -0.0009115800000000 ] - [ 0.0052625000000000, -0.0019353900000000, 0.0022471200000000 ] - [ 0.0024523900000000, -0.0004042700000000, 0.0010016100000000 ] - [ 0.0007604600000000, -0.0001660800000000, 0.0004224900000000 ] - [ 0.0007304200000000, -0.0006613100000000, -0.0000933100000000 ] - [ 0.0123908700000000, 0.0299805900000000, -0.0550600500000000 ] - [ 0.0022558800000000, 0.0217800700000000, -0.0611384000000000 ] - [ -0.0024059300000000, 0.0219345900000000, -0.0608732300000000 ] - [ 0.0002950100000000, 0.0219431300000000, -0.0609624300000000 ] - [ 0.0030387200000000, -0.0001246200000000, 0.0100691100000000 ] - [ 0.0021389400000000, -0.0036960200000000, 0.0049018100000000 ] - [ -0.0028109300000000, -0.0041288000000000, 0.0055665600000000 ] - [ 0.0019526600000000, -0.0036446700000000, 0.0048766800000000 ] - [ -0.0004565700000000, -0.0010329800000000, 0.0045928300000000 ] - [ -0.0003927800000000, -0.0034617300000000, 0.0015508300000000 ] - [ -0.0009191800000000, -0.0024638800000000, 0.0039010200000000 ] - [ 0.0007523400000000, -0.0001757400000000, 0.0034712600000000 ] - [ 0.0013965300000000, -0.0022106000000000, -0.0133682600000000 ] - [ 0.0000140600000000, 0.0005449300000000, -0.0108363900000000 ] - [ -0.0003119600000000, 0.0008615700000000, -0.0119068500000000 ] - [ -0.0005594600000000, 0.0005261000000000, -0.0114695200000000 ] - [ -0.0048126300000000, 0.0008662000000000, -0.0092544800000000 ] - [ 0.0011507100000000, 0.0019412300000000, -0.0113562300000000 ] - [ -0.0006517300000000, 0.0021143900000000, -0.0114529700000000 ] - [ 0.0009840000000000, 0.0020533700000000, -0.0113666500000000 ] - [ -0.0019316300000000, -0.0136882200000000, 0.0273276700000000 ] - [ 0.0007683700000000, -0.0137849600000000, 0.0277952500000000 ] - [ -0.0013191900000000, -0.0094405100000000, 0.0241976900000000 ] - [ 0.0003923600000000, -0.0139632900000000, 0.0277379100000000 ] - [ -0.0015116200000000, -0.0110939500000000, 0.0271904500000000 ] - [ 0.0004120300000000, -0.0114002900000000, 0.0264264300000000 ] - [ -0.0019214600000000, -0.0111141700000000, 0.0267959300000000 ] - [ 0.0006092900000000, -0.0110934100000000, 0.0265494400000000 ] - [ -0.0020830000000000, 0.0007794700000000, -0.0011509100000000 ] - [ -0.0009750800000000, 0.0014749000000000, -0.0009550400000000 ] - [ -0.0018242300000000, 0.0018701000000000, 0.0000226200000000 ] - [ -0.0010639800000000, 0.0015492100000000, -0.0007888500000000 ] - [ 0.0009307500000000, 0.0011588400000000, -0.0013189700000000 ] - [ 0.0009367400000000, 0.0013037800000000, -0.0018818000000000 ] - [ 0.0008347200000000, 0.0018388200000000, -0.0008923800000000 ] - [ 0.0008463200000000, 0.0009717700000000, -0.0018134700000000 ] - [ 0.0004106800000000, 0.0008966800000000, -0.0008419700000000 ] - [ 0.0008333800000000, 0.0008506300000000, -0.0001811900000000 ] - [ 0.0006210400000000, 0.0014279200000000, -0.0011177400000000 ] - [ 0.0006618400000000, 0.0006829700000000, -0.0002780300000000 ] - [ -0.0018494300000000, -0.0218894500000000, -0.0617877100000000 ] - [ -0.0005457300000000, -0.0215205200000000, -0.0608036800000000 ] - [ -0.0017986900000000, -0.0219089000000000, -0.0613366200000000 ] - [ -0.0008069200000000, -0.0214827000000000, -0.0609526100000000 ] - [ 0.0024967900000000, 0.0018429500000000, -0.0008592800000000 ] - [ 0.0019081800000000, 0.0037373800000000, 0.0048367500000000 ] - [ 0.0004384800000000, 0.0045433600000000, 0.0042108000000000 ] - [ 0.0016979100000000, 0.0037345600000000, 0.0048172600000000 ] - [ -0.0003002800000000, 0.0015174800000000, 0.0021705100000000 ] - [ -0.0007797400000000, 0.0023401500000000, 0.0050270600000000 ] - [ -0.0008736700000000, 0.0024759500000000, 0.0033644900000000 ] - [ -0.0013274400000000, 0.0019834700000000, 0.0039131700000000 ]- atom: 49 displacement: [ -0.0099999993466229, 0.0000000000000000, 0.0000036149054082 ] forces: - [ 0.0020399100000000, 0.0086761400000000, 0.0021208700000000 ] - [ 0.0028640200000000, 0.0059048500000000, 0.0053588200000000 ] - [ 0.0019689300000000, 0.0043029000000000, 0.0042594900000000 ] - [ 0.0027314800000000, 0.0065753400000000, 0.0051029800000000 ] - [ -0.0122001700000000, -0.0010066100000000, 0.0017588200000000 ] - [ -0.0003167700000000, -0.0025383800000000, -0.0044484500000000 ] - [ -0.0040121500000000, -0.0026274900000000, -0.0055426800000000 ] - [ -0.0007081900000000, -0.0015623400000000, -0.0047887500000000 ] - [ 0.0022162600000000, -0.0086600200000000, 0.0102609800000000 ] - [ 0.0038074200000000, -0.0060652600000000, 0.0042147700000000 ] - [ 0.0015627000000000, -0.0048104800000000, 0.0051192900000000 ] - [ 0.0030767100000000, -0.0063539700000000, 0.0046352200000000 ] - [ -0.0032540900000000, 0.0020012400000000, -0.0043673200000000 ] - [ -0.0005800000000000, 0.0024373700000000, -0.0051429000000000 ] - [ -0.0036429400000000, 0.0023622600000000, -0.0043748800000000 ] - [ -0.0006244100000000, 0.0015534500000000, -0.0052812400000000 ] - [ -0.0049509000000000, -0.0172015800000000, -0.0217816900000000 ] - [ -0.0001966600000000, -0.0207178800000000, -0.0261943500000000 ] - [ -0.0097830000000000, -0.0185052500000000, -0.0239021300000000 ] - [ -0.0089907400000000, -0.0170072900000000, -0.0259276800000000 ] - [ -0.0159692800000000, 0.0050224000000000, 0.0106032700000000 ] - [ 0.0126246800000000, -0.0146908600000000, -0.0235562500000000 ] - [ 0.0070276300000000, -0.0132485100000000, -0.0239822400000000 ] - [ 0.0106680600000000, -0.0149357300000000, -0.0235325500000000 ] - [ 0.0256142600000000, -0.0271595200000000, 0.0663998500000000 ] - [ 0.0279352400000000, -0.0227057700000000, 0.0674929600000000 ] - [ 0.0216767100000000, -0.0242677400000000, 0.0674576900000000 ] - [ 0.0207326800000000, -0.0269485300000000, 0.0681066200000000 ] - [ -0.0448366600000000, -0.0515195800000000, 0.0636790100000000 ] - [ -0.0179292400000000, -0.0238965200000000, 0.0685834400000000 ] - [ -0.0279498400000000, -0.0224001900000000, 0.0714198800000000 ] - [ -0.0201311200000000, -0.0232259600000000, 0.0685152200000000 ] - [ -0.0097098100000000, 0.0163115300000000, -0.0283694400000000 ] - [ -0.0089807700000000, 0.0182575900000000, -0.0244266000000000 ] - [ -0.0074506200000000, 0.0191187100000000, -0.0276004900000000 ] - [ -0.0096209500000000, 0.0173508100000000, -0.0253635400000000 ] - [ 0.0069854700000000, 0.0145297800000000, -0.0231608900000000 ] - [ 0.0110657200000000, 0.0149436200000000, -0.0237104100000000 ] - [ 0.0060171400000000, 0.0157565400000000, -0.0245917500000000 ] - [ 0.0108699100000000, 0.0149572100000000, -0.0237712700000000 ] - [ -0.0246818300000000, 0.0238464300000000, 0.0654542700000000 ] - [ -0.0204743300000000, 0.0232686200000000, 0.0681128000000000 ] - [ -0.0237691300000000, 0.0235570600000000, 0.0677891400000000 ] - [ -0.0211344300000000, 0.0232094800000000, 0.0681776400000000 ] - [ 0.0192666900000000, 0.0260794700000000, 0.0672668300000000 ] - [ 0.0211741500000000, 0.0262734300000000, 0.0654335300000000 ] - [ 0.0196284400000000, 0.0265632500000000, 0.0664904800000000 ] - [ 0.0204707500000000, 0.0263225300000000, 0.0667927400000000 ] - [ 0.0774776500000000, 0.0106866200000000, -0.0408374200000000 ] - [ 0.0017421000000000, -0.0027460400000000, -0.0019007500000000 ] - [ 0.0037874400000000, -0.0033037200000000, -0.0030633300000000 ] - [ 0.0022550400000000, -0.0029437000000000, -0.0020021000000000 ] - [ 0.0004326900000000, 0.0455400300000000, -0.0584253600000000 ] - [ -0.0014308900000000, 0.0345356900000000, -0.0612081700000000 ] - [ 0.0040277800000000, 0.0304746700000000, -0.0617565600000000 ] - [ 0.0012075500000000, 0.0352478100000000, -0.0609648700000000 ] - [ 0.0033027300000000, 0.0024700400000000, -0.0019991800000000 ] - [ 0.0022591000000000, 0.0026857700000000, -0.0017919600000000 ] - [ 0.0033244000000000, 0.0022315300000000, -0.0014156100000000 ] - [ 0.0022841500000000, 0.0027409700000000, -0.0017186700000000 ] - [ 0.0047265800000000, -0.0348917200000000, -0.0606383100000000 ] - [ 0.0009783200000000, -0.0351132200000000, -0.0606976200000000 ] - [ 0.0036572600000000, -0.0352411400000000, -0.0607917200000000 ] - [ 0.0016593500000000, -0.0352212200000000, -0.0608273300000000 ] - [ -0.0007854700000000, 0.0001529000000000, -0.0128426000000000 ] - [ -0.0016363000000000, -0.0012075800000000, -0.0104516500000000 ] - [ -0.0006205000000000, -0.0003899200000000, -0.0119158000000000 ] - [ -0.0008431600000000, -0.0004356400000000, -0.0113672200000000 ] - [ 0.0030835600000000, -0.0047675200000000, -0.0099949600000000 ] - [ -0.0002126500000000, -0.0020592000000000, -0.0115198900000000 ] - [ 0.0009735100000000, -0.0021595000000000, -0.0108210600000000 ] - [ -0.0000217500000000, -0.0019711300000000, -0.0115224700000000 ] - [ 0.0006909800000000, 0.0092505100000000, 0.0202650300000000 ] - [ -0.0032186600000000, 0.0144295000000000, 0.0279882400000000 ] - [ 0.0010379000000000, 0.0138624700000000, 0.0273561800000000 ] - [ -0.0011122900000000, 0.0136697000000000, 0.0276761000000000 ] - [ -0.0148978300000000, 0.0149926000000000, 0.0359451900000000 ] - [ -0.0038211400000000, 0.0116439800000000, 0.0266454000000000 ] - [ -0.0005493300000000, 0.0112090000000000, 0.0267611200000000 ] - [ -0.0017874800000000, 0.0113312400000000, 0.0266737800000000 ] - [ -0.0003699700000000, -0.0065510000000000, 0.0018519400000000 ] - [ -0.0019902100000000, -0.0014675300000000, -0.0003708400000000 ] - [ -0.0001321500000000, 0.0039131700000000, -0.0024152000000000 ] - [ -0.0019784300000000, -0.0014241300000000, -0.0005218700000000 ] - [ 0.0002785800000000, -0.0026465500000000, -0.0006601700000000 ] - [ 0.0003842300000000, -0.0005455400000000, -0.0025828400000000 ] - [ 0.0002515900000000, -0.0000430600000000, -0.0022635800000000 ] - [ 0.0003648900000000, -0.0020718900000000, -0.0014689300000000 ] - [ -0.0039341800000000, 0.0004468600000000, -0.0026477500000000 ] - [ -0.0012223500000000, -0.0010637700000000, -0.0014287400000000 ] - [ 0.0004668000000000, -0.0012987300000000, -0.0008453500000000 ] - [ 0.0005000900000000, -0.0008072700000000, -0.0003303900000000 ] - [ -0.0153276000000000, 0.0131870400000000, -0.0670058800000000 ] - [ -0.0049453400000000, 0.0215541900000000, -0.0608342700000000 ] - [ -0.0003006700000000, 0.0214078800000000, -0.0610953100000000 ] - [ -0.0029984400000000, 0.0213950200000000, -0.0610060900000000 ] - [ -0.0006288000000000, -0.0074371600000000, -0.0004586300000000 ] - [ 0.0003080600000000, -0.0039604100000000, 0.0045714000000000 ] - [ 0.0052410000000000, -0.0034933900000000, 0.0039070200000000 ] - [ 0.0004959500000000, -0.0040055300000000, 0.0046028400000000 ] - [ -0.0020241600000000, -0.0029936600000000, 0.0027320300000000 ] - [ -0.0020873100000000, -0.0005650900000000, 0.0057656900000000 ] - [ -0.0015618900000000, -0.0015467100000000, 0.0034338100000000 ] - [ -0.0032237400000000, -0.0038245700000000, 0.0038641300000000 ] - [ -0.0026983400000000, 0.0031362200000000, -0.0099006900000000 ] - [ -0.0013326800000000, 0.0004081400000000, -0.0124199500000000 ] - [ -0.0010079500000000, 0.0000973000000000, -0.0113440100000000 ] - [ -0.0007561300000000, 0.0004284000000000, -0.0117837600000000 ] - [ 0.0056224200000000, 0.0031633500000000, -0.0135829700000000 ] - [ -0.0003464600000000, 0.0020856300000000, -0.0115800500000000 ] - [ 0.0014494200000000, 0.0019223000000000, -0.0114791800000000 ] - [ -0.0001806800000000, 0.0019724800000000, -0.0115672000000000 ] - [ 0.0014049700000000, -0.0139160100000000, 0.0279630100000000 ] - [ -0.0012679400000000, -0.0138168300000000, 0.0274915600000000 ] - [ 0.0008070600000000, -0.0181091400000000, 0.0310492200000000 ] - [ -0.0008923200000000, -0.0136385900000000, 0.0275507900000000 ] - [ -0.0003100100000000, -0.0114521100000000, 0.0263375800000000 ] - [ -0.0022464700000000, -0.0111443000000000, 0.0271004300000000 ] - [ 0.0000863500000000, -0.0114256100000000, 0.0267339300000000 ] - [ -0.0024374000000000, -0.0114473300000000, 0.0269798400000000 ] - [ -0.0007861800000000, 0.0022689400000000, 0.0000034200000000 ] - [ -0.0018949800000000, 0.0015843000000000, -0.0001732200000000 ] - [ -0.0010434300000000, 0.0012006400000000, -0.0011336300000000 ] - [ -0.0018061500000000, 0.0015090900000000, -0.0003401400000000 ] - [ 0.0006569400000000, 0.0019762300000000, -0.0010674400000000 ] - [ 0.0006488700000000, 0.0018267900000000, -0.0005128300000000 ] - [ 0.0007550000000000, 0.0012942200000000, -0.0014914500000000 ] - [ 0.0007383100000000, 0.0021575000000000, -0.0005768800000000 ] - [ 0.0008127800000000, 0.0005759300000000, 0.0004064600000000 ] - [ 0.0003971900000000, 0.0006208500000000, -0.0002480800000000 ] - [ 0.0006047500000000, 0.0000490800000000, 0.0006770400000000 ] - [ 0.0005681700000000, 0.0007884600000000, -0.0001498900000000 ] - [ -0.0008409800000000, -0.0214483700000000, -0.0601880600000000 ] - [ -0.0021663000000000, -0.0218160800000000, -0.0611643400000000 ] - [ -0.0009032400000000, -0.0214326500000000, -0.0606365900000000 ] - [ -0.0019030300000000, -0.0218539500000000, -0.0610174400000000 ] - [ -0.0000520400000000, 0.0057499700000000, 0.0101844100000000 ] - [ 0.0005384900000000, 0.0039154600000000, 0.0046449300000000 ] - [ 0.0020055800000000, 0.0031163500000000, 0.0052638500000000 ] - [ 0.0007489200000000, 0.0039170200000000, 0.0046636000000000 ] - [ -0.0021745800000000, 0.0025019000000000, 0.0051711400000000 ] - [ -0.0017024100000000, 0.0016761900000000, 0.0023216000000000 ] - [ -0.0016019000000000, 0.0015403500000000, 0.0039711800000000 ] - [ -0.0011571800000000, 0.0020294300000000, 0.0034252400000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005251100000000, 0.0125288900000000, 0.0088169000000000 ] - [ 0.0016590300000000, 0.0079262100000000, 0.0058369100000000 ] - [ 0.0059328700000000, -0.0000460500000000, 0.0029455900000000 ] - [ 0.0007546700000000, 0.0048979700000000, 0.0045782900000000 ] - [ 0.0014508300000000, 0.0066285100000000, -0.0080605700000000 ] - [ -0.0015058600000000, -0.0009835100000000, -0.0046733600000000 ] - [ 0.0011952200000000, -0.0116844100000000, -0.0058738400000000 ] - [ -0.0019730200000000, -0.0036392100000000, -0.0049550100000000 ] - [ 0.0035873400000000, 0.0013491500000000, 0.0038678000000000 ] - [ 0.0011247800000000, -0.0037151400000000, 0.0038874100000000 ] - [ -0.0028779500000000, -0.0138919500000000, 0.0036167100000000 ] - [ 0.0025947200000000, -0.0087547200000000, 0.0046144500000000 ] - [ -0.0023138200000000, 0.0054395800000000, -0.0043764200000000 ] - [ -0.0013346100000000, 0.0026806900000000, -0.0049902300000000 ] - [ -0.0038614200000000, -0.0032303800000000, -0.0084610200000000 ] - [ -0.0010489700000000, 0.0012753800000000, -0.0052044000000000 ] - [ -0.0237611000000000, -0.0099630700000000, -0.0216087600000000 ] - [ 0.0016777800000000, -0.0184880200000000, -0.0236398100000000 ] - [ -0.0083519400000000, -0.0226217800000000, -0.0230002100000000 ] - [ -0.0110404400000000, -0.0196855700000000, -0.0240921400000000 ] - [ -0.0066909600000000, 0.0465520000000000, 0.0414793600000000 ] - [ 0.0084251700000000, -0.0141688200000000, -0.0219287000000000 ] - [ 0.0119463300000000, -0.0301652400000000, -0.0171402800000000 ] - [ 0.0096592000000000, -0.0161543400000000, -0.0230865500000000 ] - [ 0.0408999900000000, -0.0142000800000000, 0.0681889200000000 ] - [ 0.0082319600000000, -0.0269470100000000, 0.0693398600000000 ] - [ 0.0148327100000000, -0.0306686100000000, 0.0677419600000000 ] - [ 0.0220579700000000, -0.0275888600000000, 0.0687848800000000 ] - [ 0.0018933200000000, 0.0696563900000000, 0.0784699500000000 ] - [ -0.0207902700000000, -0.0222737700000000, 0.0691263000000000 ] - [ -0.0236624300000000, -0.0401239900000000, 0.0771613900000000 ] - [ -0.0230526800000000, -0.0235238500000000, 0.0683946600000000 ] - [ -0.0078540100000000, 0.0199634300000000, -0.0304085900000000 ] - [ -0.0117615200000000, 0.0177734000000000, -0.0284627700000000 ] - [ -0.0116435600000000, 0.0158166600000000, -0.0249006900000000 ] - [ -0.0089928000000000, 0.0171937200000000, -0.0259450500000000 ] - [ 0.0105601900000000, 0.0201798100000000, -0.0382275300000000 ] - [ 0.0096099900000000, 0.0152907600000000, -0.0250829500000000 ] - [ 0.0105979500000000, 0.0118349400000000, -0.0217169400000000 ] - [ 0.0088156400000000, 0.0150999300000000, -0.0237577900000000 ] - [ -0.0231230000000000, 0.0319594100000000, 0.0569264200000000 ] - [ -0.0225300900000000, 0.0238622300000000, 0.0675981500000000 ] - [ -0.0216491900000000, 0.0190374900000000, 0.0670947300000000 ] - [ -0.0224006100000000, 0.0224428100000000, 0.0681026000000000 ] - [ 0.0176844900000000, 0.0285907400000000, 0.0647360000000000 ] - [ 0.0219877300000000, 0.0274007700000000, 0.0644897400000000 ] - [ 0.0195862600000000, 0.0247183700000000, 0.0667090100000000 ] - [ 0.0202605100000000, 0.0251287600000000, 0.0661033000000000 ] - [ -0.0097733400000000, -0.2309973100000000, -0.1384791100000000 ] - [ 0.0026673000000000, -0.0050059000000000, -0.0040614300000000 ] - [ 0.0032297600000000, 0.0054331000000000, -0.0003604400000000 ] - [ 0.0028619200000000, -0.0019738200000000, -0.0018552200000000 ] - [ -0.0334918300000000, 0.0476620500000000, -0.0562418500000000 ] - [ 0.0056487100000000, 0.0357954200000000, -0.0604985200000000 ] - [ 0.0068857500000000, 0.0410285700000000, -0.0620561000000000 ] - [ 0.0019341200000000, 0.0350654400000000, -0.0611713900000000 ] - [ 0.0023888600000000, -0.0033903600000000, 0.0049488700000000 ] - [ 0.0026041600000000, 0.0018282200000000, -0.0010378400000000 ] - [ 0.0021496900000000, 0.0058547800000000, -0.0025184400000000 ] - [ 0.0026585200000000, 0.0030648600000000, -0.0020983100000000 ] - [ 0.0042761300000000, -0.0365440400000000, -0.0592291400000000 ] - [ 0.0016402100000000, -0.0352572100000000, -0.0605769300000000 ] - [ 0.0026539800000000, -0.0349110600000000, -0.0607107400000000 ] - [ 0.0025835300000000, -0.0350023100000000, -0.0608008700000000 ] - [ 0.0002998200000000, -0.0024241000000000, -0.0106633300000000 ] - [ -0.0017387700000000, -0.0017643800000000, -0.0105447400000000 ] - [ -0.0002317700000000, 0.0013773200000000, -0.0126343900000000 ] - [ -0.0009794300000000, 0.0007356500000000, -0.0121283200000000 ] - [ 0.0020275600000000, -0.0176314900000000, -0.0047299200000000 ] - [ 0.0005388500000000, -0.0022797800000000, -0.0113972600000000 ] - [ 0.0005645300000000, 0.0020183700000000, -0.0136312600000000 ] - [ 0.0004014400000000, -0.0015367300000000, -0.0117435100000000 ] - [ 0.0219191100000000, 0.0179548200000000, 0.0359304100000000 ] - [ -0.0026714700000000, 0.0140414100000000, 0.0277199400000000 ] - [ -0.0018095000000000, 0.0151189000000000, 0.0262180500000000 ] - [ 0.0000524600000000, 0.0140156000000000, 0.0273254200000000 ] - [ -0.0184021500000000, 0.0055232100000000, 0.0288418500000000 ] - [ 0.0030751900000000, 0.0101674900000000, 0.0265048100000000 ] - [ 0.0005810300000000, 0.0137309900000000, 0.0257372700000000 ] - [ -0.0016062800000000, 0.0120451900000000, 0.0264154200000000 ] - [ 0.0029762900000000, 0.0176550100000000, -0.0199480800000000 ] - [ -0.0015516500000000, -0.0009591400000000, -0.0014567000000000 ] - [ -0.0053318600000000, 0.0200565600000000, -0.0041513700000000 ] - [ -0.0011226800000000, -0.0015255900000000, -0.0007077000000000 ] - [ 0.0016778600000000, -0.0004760000000000, -0.0029083600000000 ] - [ -0.0008586200000000, 0.0006513000000000, -0.0052652400000000 ] - [ -0.0006197600000000, -0.0004926800000000, -0.0025287300000000 ] - [ 0.0024678100000000, -0.0008409500000000, -0.0012029200000000 ] - [ 0.0021412700000000, -0.0077938100000000, -0.0036003700000000 ] - [ 0.0003938000000000, -0.0040702700000000, -0.0039478600000000 ] - [ 0.0002778700000000, 0.0024159800000000, 0.0002818200000000 ] - [ 0.0005365600000000, 0.0001813000000000, 0.0000216900000000 ] - [ 0.0208696900000000, 0.0202372400000000, -0.0545504500000000 ] - [ -0.0071829000000000, 0.0188056100000000, -0.0600308100000000 ] - [ -0.0033445100000000, 0.0244088400000000, -0.0627722900000000 ] - [ 0.0005002100000000, 0.0228696700000000, -0.0615685800000000 ] - [ 0.0050473900000000, 0.0215007900000000, 0.0372498500000000 ] - [ 0.0011038700000000, -0.0033774400000000, 0.0053290800000000 ] - [ -0.0011969100000000, 0.0010866700000000, -0.0010344900000000 ] - [ 0.0012342100000000, -0.0041350300000000, 0.0046959100000000 ] - [ 0.0005841400000000, -0.0014568500000000, 0.0046779100000000 ] - [ -0.0042742100000000, 0.0000322500000000, 0.0081205800000000 ] - [ -0.0012949600000000, -0.0024032300000000, 0.0032728100000000 ] - [ 0.0007922500000000, -0.0012147900000000, 0.0031876600000000 ] - [ -0.0001920000000000, -0.0028365200000000, -0.0098182200000000 ] - [ 0.0004732700000000, -0.0001055300000000, -0.0106686100000000 ] - [ -0.0010684900000000, 0.0030501500000000, -0.0119131600000000 ] - [ -0.0003607400000000, 0.0016336800000000, -0.0118021600000000 ] - [ -0.0009263800000000, -0.0032524100000000, -0.0013241700000000 ] - [ 0.0002026700000000, 0.0017336500000000, -0.0109742100000000 ] - [ 0.0006971800000000, 0.0062751900000000, -0.0122249300000000 ] - [ 0.0005519100000000, 0.0025474900000000, -0.0114574600000000 ] - [ -0.0017971100000000, -0.0148892000000000, 0.0300265800000000 ] - [ 0.0005466500000000, -0.0137116300000000, 0.0280329900000000 ] - [ -0.0000512800000000, -0.0114349300000000, 0.0261441500000000 ] - [ -0.0002978400000000, -0.0138071700000000, 0.0277580200000000 ] - [ 0.0006012900000000, -0.0118121500000000, 0.0282167300000000 ] - [ -0.0019467700000000, -0.0116634300000000, 0.0273133900000000 ] - [ -0.0020359700000000, -0.0100968700000000, 0.0270088600000000 ] - [ 0.0001124700000000, -0.0107591400000000, 0.0268426000000000 ] - [ -0.0021103900000000, 0.0016476100000000, 0.0011557300000000 ] - [ -0.0014521200000000, 0.0015003500000000, -0.0002592200000000 ] - [ -0.0014720000000000, 0.0036259500000000, 0.0039011600000000 ] - [ -0.0014923100000000, 0.0018851100000000, -0.0001478000000000 ] - [ 0.0008181900000000, 0.0017094400000000, -0.0004169800000000 ] - [ 0.0013754500000000, 0.0016342600000000, -0.0005703300000000 ] - [ 0.0011931400000000, 0.0021780800000000, 0.0000117500000000 ] - [ 0.0006818900000000, 0.0024543500000000, -0.0000341300000000 ] - [ 0.0008311300000000, -0.0012633500000000, 0.0019676000000000 ] - [ 0.0007504300000000, -0.0005955500000000, 0.0014187700000000 ] - [ 0.0011202500000000, 0.0018379600000000, -0.0003313300000000 ] - [ 0.0005401300000000, 0.0010911900000000, -0.0002198900000000 ] - [ -0.0029992900000000, -0.0231657000000000, -0.0598696700000000 ] - [ -0.0001804100000000, -0.0224103900000000, -0.0608089100000000 ] - [ -0.0014563500000000, -0.0202311900000000, -0.0601457600000000 ] - [ -0.0012323000000000, -0.0212991600000000, -0.0608814800000000 ] - [ -0.0004447800000000, 0.0114014500000000, 0.0248206300000000 ] - [ 0.0013481600000000, 0.0036545100000000, 0.0047893500000000 ] - [ 0.0010873700000000, 0.0045338500000000, 0.0029223700000000 ] - [ 0.0012654500000000, 0.0038047200000000, 0.0046024600000000 ] - [ -0.0026279300000000, 0.0017116000000000, 0.0048760700000000 ] - [ 0.0004269200000000, 0.0019203100000000, 0.0049816200000000 ] - [ -0.0014127500000000, 0.0018616500000000, 0.0034799700000000 ] - [ -0.0011615700000000, 0.0020338300000000, 0.0029436700000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0029063100000000, -0.0001305200000000, 0.0008883600000000 ] - [ 0.0017873400000000, 0.0045602200000000, 0.0038690800000000 ] - [ -0.0025047900000000, 0.0126082500000000, 0.0067760500000000 ] - [ 0.0026951600000000, 0.0076187200000000, 0.0051370400000000 ] - [ -0.0043284400000000, -0.0107730100000000, -0.0019971900000000 ] - [ -0.0015467300000000, -0.0031916400000000, -0.0051362800000000 ] - [ -0.0042817400000000, 0.0075821300000000, -0.0039157700000000 ] - [ -0.0010722800000000, -0.0005235600000000, -0.0048483700000000 ] - [ -0.0001784500000000, -0.0138892100000000, 0.0058171000000000 ] - [ 0.0023173300000000, -0.0088047600000000, 0.0058345000000000 ] - [ 0.0063846000000000, 0.0014630900000000, 0.0061143900000000 ] - [ 0.0008380800000000, -0.0037328600000000, 0.0051043400000000 ] - [ -0.0007092800000000, -0.0013240800000000, -0.0054076400000000 ] - [ -0.0017201600000000, 0.0014823400000000, -0.0048100200000000 ] - [ 0.0008303700000000, 0.0074452400000000, -0.0013191200000000 ] - [ -0.0020070700000000, 0.0029093700000000, -0.0045936200000000 ] - [ 0.0045748200000000, -0.0255763500000000, -0.0293867700000000 ] - [ -0.0211459300000000, -0.0169984000000000, -0.0273576300000000 ] - [ -0.0109585900000000, -0.0128677000000000, -0.0280112600000000 ] - [ -0.0082366400000000, -0.0158293700000000, -0.0269034600000000 ] - [ 0.0246680200000000, -0.0762533200000000, -0.0858191500000000 ] - [ 0.0102509900000000, -0.0161845000000000, -0.0251876600000000 ] - [ 0.0067037000000000, -0.0000345400000000, -0.0300351100000000 ] - [ 0.0090171900000000, -0.0141877000000000, -0.0240239900000000 ] - [ -0.0010141400000000, -0.0382601600000000, 0.0657466400000000 ] - [ 0.0318815100000000, -0.0254026000000000, 0.0645972700000000 ] - [ 0.0252118800000000, -0.0216466900000000, 0.0662175300000000 ] - [ 0.0179646000000000, -0.0247274100000000, 0.0651603700000000 ] - [ -0.0483423100000000, -0.1217732400000000, 0.0555290600000000 ] - [ -0.0238362900000000, -0.0237408900000000, 0.0674368200000000 ] - [ -0.0209230900000000, -0.0058041100000000, 0.0593849000000000 ] - [ -0.0215560300000000, -0.0224731300000000, 0.0681765100000000 ] - [ -0.0114564500000000, 0.0155414700000000, -0.0205247900000000 ] - [ -0.0075192300000000, 0.0177406000000000, -0.0224977400000000 ] - [ -0.0076440300000000, 0.0197187600000000, -0.0260720000000000 ] - [ -0.0103044700000000, 0.0183420800000000, -0.0250334000000000 ] - [ 0.0081024200000000, 0.0100595400000000, -0.0087284700000000 ] - [ 0.0090651100000000, 0.0150551000000000, -0.0220098900000000 ] - [ 0.0080850300000000, 0.0185470200000000, -0.0253885100000000 ] - [ 0.0098644200000000, 0.0152516000000000, -0.0233444800000000 ] - [ -0.0214745100000000, 0.0140212500000000, 0.0797754300000000 ] - [ -0.0220795400000000, 0.0221348000000000, 0.0689843100000000 ] - [ -0.0229584300000000, 0.0269916800000000, 0.0694872400000000 ] - [ -0.0222048100000000, 0.0235656300000000, 0.0684747900000000 ] - [ 0.0223731300000000, 0.0237334100000000, 0.0692586800000000 ] - [ 0.0180189800000000, 0.0249273600000000, 0.0695125100000000 ] - [ 0.0204504100000000, 0.0276287000000000, 0.0672629200000000 ] - [ 0.0197742600000000, 0.0272155800000000, 0.0678746000000000 ] - [ 0.0173032500000000, 0.2314990900000000, 0.1348051500000000 ] - [ 0.0027080700000000, -0.0005130000000000, -0.0000504800000000 ] - [ 0.0021405300000000, -0.0110281000000000, -0.0037841900000000 ] - [ 0.0025115500000000, -0.0035693900000000, -0.0022765000000000 ] - [ 0.0390409300000000, 0.0224871800000000, -0.0655756800000000 ] - [ -0.0005933400000000, 0.0344229100000000, -0.0612781500000000 ] - [ -0.0018186800000000, 0.0291888500000000, -0.0597176500000000 ] - [ 0.0031426700000000, 0.0351524400000000, -0.0606030700000000 ] - [ 0.0029878500000000, 0.0089820100000000, -0.0091484000000000 ] - [ 0.0027713000000000, 0.0037191800000000, -0.0031019100000000 ] - [ 0.0032280400000000, -0.0003372300000000, -0.0016117100000000 ] - [ 0.0027164800000000, 0.0024708600000000, -0.0020331900000000 ] - [ 0.0007675800000000, -0.0336712000000000, -0.0625631700000000 ] - [ 0.0034448900000000, -0.0349618800000000, -0.0612038900000000 ] - [ 0.0024136600000000, -0.0353053600000000, -0.0610688300000000 ] - [ 0.0024851500000000, -0.0352164700000000, -0.0609766000000000 ] - [ -0.0016312700000000, 0.0014800700000000, -0.0125982600000000 ] - [ 0.0004355500000000, 0.0008282100000000, -0.0127240900000000 ] - [ -0.0010893000000000, -0.0023417100000000, -0.0106092800000000 ] - [ -0.0003389000000000, -0.0016952700000000, -0.0111214000000000 ] - [ -0.0011945100000000, 0.0136235800000000, -0.0184042400000000 ] - [ 0.0002636300000000, -0.0017429700000000, -0.0115371400000000 ] - [ 0.0002360900000000, -0.0060796400000000, -0.0092763700000000 ] - [ 0.0004016300000000, -0.0024936800000000, -0.0111863800000000 ] - [ -0.0225010800000000, 0.0095856700000000, 0.0193625400000000 ] - [ 0.0022047900000000, 0.0135460400000000, 0.0275590100000000 ] - [ 0.0013265200000000, 0.0124754400000000, 0.0290827400000000 ] - [ -0.0005580200000000, 0.0135827300000000, 0.0279636700000000 ] - [ 0.0167993600000000, 0.0169753200000000, 0.0245782600000000 ] - [ -0.0049372100000000, 0.0123829500000000, 0.0270231700000000 ] - [ -0.0024404500000000, 0.0087927300000000, 0.0278029500000000 ] - [ -0.0002211400000000, 0.0104922400000000, 0.0271185700000000 ] - [ -0.0059346200000000, -0.0209661500000000, 0.0191135600000000 ] - [ -0.0013171900000000, -0.0021022800000000, 0.0003344700000000 ] - [ 0.0024183600000000, -0.0231233200000000, 0.0032134700000000 ] - [ -0.0017479400000000, -0.0015371100000000, -0.0004173100000000 ] - [ -0.0000979800000000, -0.0026592400000000, 0.0005354900000000 ] - [ 0.0024567700000000, -0.0038025900000000, 0.0029149700000000 ] - [ 0.0022190400000000, -0.0026675900000000, 0.0001640500000000 ] - [ -0.0008868300000000, -0.0023052700000000, -0.0011699500000000 ] - [ -0.0009553400000000, 0.0063831000000000, 0.0032124800000000 ] - [ 0.0008473700000000, 0.0026347500000000, 0.0035727900000000 ] - [ 0.0009565700000000, -0.0039042400000000, -0.0007026900000000 ] - [ 0.0006916500000000, -0.0016600000000000, -0.0004475000000000 ] - [ -0.0237570700000000, 0.0232377600000000, -0.0674436700000000 ] - [ 0.0045322100000000, 0.0245629700000000, -0.0619411000000000 ] - [ 0.0006406000000000, 0.0189052800000000, -0.0591809000000000 ] - [ -0.0032081100000000, 0.0204637100000000, -0.0603972600000000 ] - [ -0.0026480500000000, -0.0296376200000000, -0.0282598500000000 ] - [ 0.0013433600000000, -0.0042755000000000, 0.0041479800000000 ] - [ 0.0036293100000000, -0.0087529800000000, 0.0105054800000000 ] - [ 0.0012122700000000, -0.0035152700000000, 0.0047850700000000 ] - [ -0.0030806300000000, -0.0025483400000000, 0.0026543100000000 ] - [ 0.0018235500000000, -0.0040621000000000, -0.0008263600000000 ] - [ -0.0011824100000000, -0.0016080000000000, 0.0040680200000000 ] - [ -0.0032746400000000, -0.0027920100000000, 0.0041493700000000 ] - [ -0.0011247100000000, 0.0037978400000000, -0.0134454100000000 ] - [ -0.0017991800000000, 0.0010630600000000, -0.0125889900000000 ] - [ -0.0002442500000000, -0.0021172000000000, -0.0113444500000000 ] - [ -0.0009646700000000, -0.0006965600000000, -0.0114495300000000 ] - [ 0.0017466600000000, 0.0074025000000000, -0.0215744800000000 ] - [ 0.0006033000000000, 0.0022947500000000, -0.0119617500000000 ] - [ 0.0001058300000000, -0.0022850100000000, -0.0107086400000000 ] - [ 0.0002508600000000, 0.0014742800000000, -0.0114753200000000 ] - [ 0.0013033500000000, -0.0126925200000000, 0.0252349200000000 ] - [ -0.0010537900000000, -0.0138856500000000, 0.0272492200000000 ] - [ -0.0004581900000000, -0.0161759500000000, 0.0291538800000000 ] - [ -0.0002043200000000, -0.0137932200000000, 0.0275274700000000 ] - [ -0.0024491500000000, -0.0107186500000000, 0.0253018200000000 ] - [ 0.0001235900000000, -0.0108756200000000, 0.0262108800000000 ] - [ 0.0002016100000000, -0.0124594200000000, 0.0265164400000000 ] - [ -0.0019497300000000, -0.0117873600000000, 0.0266857800000000 ] - [ -0.0007538100000000, 0.0013942700000000, -0.0023118500000000 ] - [ -0.0014165900000000, 0.0015577900000000, -0.0008742600000000 ] - [ -0.0013960500000000, -0.0005673600000000, -0.0050700200000000 ] - [ -0.0013761700000000, 0.0011728700000000, -0.0009847000000000 ] - [ 0.0007679700000000, 0.0014192500000000, -0.0019774600000000 ] - [ 0.0002059400000000, 0.0014961100000000, -0.0018276200000000 ] - [ 0.0003874500000000, 0.0009563100000000, -0.0024075600000000 ] - [ 0.0009048500000000, 0.0006732000000000, -0.0023617200000000 ] - [ 0.0003945600000000, 0.0027526000000000, -0.0024150000000000 ] - [ 0.0004784900000000, 0.0020809100000000, -0.0018588700000000 ] - [ 0.0001039500000000, -0.0003725400000000, -0.0000974000000000 ] - [ 0.0006889200000000, 0.0003766900000000, -0.0002048000000000 ] - [ 0.0003114200000000, -0.0201658000000000, -0.0621174600000000 ] - [ -0.0025346600000000, -0.0209234800000000, -0.0611621600000000 ] - [ -0.0012515800000000, -0.0231168500000000, -0.0618280600000000 ] - [ -0.0014735800000000, -0.0220424900000000, -0.0610886600000000 ] - [ 0.0029235200000000, -0.0037323000000000, -0.0154380400000000 ] - [ 0.0010974000000000, 0.0039976100000000, 0.0046907700000000 ] - [ 0.0013548400000000, 0.0031224000000000, 0.0065790000000000 ] - [ 0.0011782600000000, 0.0038488700000000, 0.0048800300000000 ] - [ 0.0001668300000000, 0.0022909200000000, 0.0024382200000000 ] - [ -0.0029161500000000, 0.0020883100000000, 0.0023489800000000 ] - [ -0.0010628700000000, 0.0021549900000000, 0.0038579500000000 ] - [ -0.0013182100000000, 0.0019787100000000, 0.0044003200000000 ]- atom: 49 displacement: [ 0.0000055737063633, 0.0000000000000000, 0.0099999984466897 ] forces: - [ 0.0053998600000000, 0.0150404700000000, 0.0046666500000000 ] - [ 0.0015855600000000, 0.0078875700000000, 0.0056325600000000 ] - [ 0.0063307900000000, -0.0014059900000000, 0.0038766500000000 ] - [ 0.0011715800000000, 0.0050684100000000, 0.0048729500000000 ] - [ -0.0032442200000000, 0.0041407500000000, 0.0082048600000000 ] - [ -0.0013507100000000, -0.0016750400000000, -0.0041649100000000 ] - [ -0.0011445400000000, -0.0064850800000000, -0.0053865000000000 ] - [ -0.0016109700000000, -0.0031608500000000, -0.0048527300000000 ] - [ -0.0072386600000000, -0.0013982400000000, -0.0033193300000000 ] - [ 0.0036459800000000, -0.0051794600000000, 0.0039390700000000 ] - [ -0.0005385800000000, -0.0096312600000000, 0.0042252400000000 ] - [ 0.0029157200000000, -0.0071809900000000, 0.0045207000000000 ] - [ -0.0052307000000000, 0.0077795200000000, -0.0074080800000000 ] - [ -0.0007648600000000, 0.0029230100000000, -0.0052563800000000 ] - [ -0.0054623100000000, -0.0045118800000000, -0.0094637300000000 ] - [ -0.0005501300000000, 0.0008331000000000, -0.0055760000000000 ] - [ -0.0261566200000000, -0.0111800700000000, -0.0177542700000000 ] - [ 0.0075793300000000, -0.0211286500000000, -0.0229725900000000 ] - [ -0.0094604900000000, -0.0202380200000000, -0.0221370900000000 ] - [ -0.0095187400000000, -0.0189056900000000, -0.0240238700000000 ] - [ -0.0224950900000000, 0.0669853800000000, 0.1425617700000000 ] - [ 0.0097259700000000, -0.0144731100000000, -0.0218559100000000 ] - [ 0.0093691300000000, -0.0204342800000000, -0.0189310800000000 ] - [ 0.0099955100000000, -0.0155863600000000, -0.0227958700000000 ] - [ 0.0323558900000000, -0.0216958300000000, 0.0697923500000000 ] - [ 0.0103607300000000, -0.0263997800000000, 0.0703379200000000 ] - [ 0.0210310000000000, -0.0259445700000000, 0.0705203300000000 ] - [ 0.0208427000000000, -0.0271659800000000, 0.0703597900000000 ] - [ -0.0190960100000000, -0.0173799500000000, 0.0887376200000000 ] - [ -0.0209008800000000, -0.0221379700000000, 0.0692956100000000 ] - [ -0.0277888200000000, -0.0249627100000000, 0.0830421000000000 ] - [ -0.0211029700000000, -0.0235775900000000, 0.0690711100000000 ] - [ -0.0074387400000000, 0.0166633000000000, -0.0316462300000000 ] - [ -0.0120470900000000, 0.0173455000000000, -0.0283958400000000 ] - [ -0.0072253100000000, 0.0187111100000000, -0.0294515000000000 ] - [ -0.0101267900000000, 0.0173489000000000, -0.0267032400000000 ] - [ 0.0081185600000000, 0.0097900900000000, -0.0380365500000000 ] - [ 0.0101947500000000, 0.0152904800000000, -0.0251086400000000 ] - [ 0.0073111500000000, 0.0167182200000000, -0.0303146000000000 ] - [ 0.0101792700000000, 0.0148281500000000, -0.0242829000000000 ] - [ -0.0241064600000000, 0.0310347800000000, 0.0471085400000000 ] - [ -0.0217348000000000, 0.0238047300000000, 0.0671113400000000 ] - [ -0.0224263900000000, 0.0215783100000000, 0.0650471800000000 ] - [ -0.0218405400000000, 0.0229273700000000, 0.0677721000000000 ] - [ 0.0162521800000000, 0.0281044700000000, 0.0626739400000000 ] - [ 0.0234200600000000, 0.0270121700000000, 0.0625346500000000 ] - [ 0.0192498600000000, 0.0258413000000000, 0.0655250000000000 ] - [ 0.0205642200000000, 0.0257148200000000, 0.0653350700000000 ] - [ 0.0425689600000000, -0.1420012200000000, -0.2658428500000000 ] - [ 0.0025250000000000, -0.0047806900000000, -0.0040450100000000 ] - [ 0.0036896400000000, -0.0010389300000000, -0.0034244000000000 ] - [ 0.0026267800000000, -0.0025576600000000, -0.0022956500000000 ] - [ -0.0151438400000000, 0.0424101900000000, -0.0616895100000000 ] - [ 0.0050343400000000, 0.0357574400000000, -0.0606393100000000 ] - [ 0.0043910700000000, 0.0307000500000000, -0.0640648000000000 ] - [ 0.0016023600000000, 0.0351020500000000, -0.0612820800000000 ] - [ 0.0026264500000000, -0.0042943800000000, 0.0071240000000000 ] - [ 0.0024147600000000, 0.0017362800000000, -0.0008187500000000 ] - [ 0.0020302100000000, 0.0032312700000000, 0.0018546500000000 ] - [ 0.0023409500000000, 0.0028032000000000, -0.0015139100000000 ] - [ 0.0066049000000000, -0.0362162800000000, -0.0581568200000000 ] - [ 0.0006741600000000, -0.0351555800000000, -0.0603835600000000 ] - [ 0.0031525700000000, -0.0357810000000000, -0.0602584000000000 ] - [ 0.0020702400000000, -0.0351876800000000, -0.0606517500000000 ] - [ 0.0009715100000000, -0.0016032400000000, -0.0108069200000000 ] - [ -0.0025409300000000, -0.0016261200000000, -0.0099044500000000 ] - [ 0.0000151500000000, 0.0011696300000000, -0.0124337900000000 ] - [ -0.0012047200000000, 0.0005636800000000, -0.0117586900000000 ] - [ 0.0004133900000000, -0.0172061300000000, 0.0112934700000000 ] - [ 0.0003670400000000, -0.0022493100000000, -0.0113388300000000 ] - [ 0.0005685100000000, 0.0009356200000000, -0.0121066900000000 ] - [ 0.0002227000000000, -0.0015569100000000, -0.0116836100000000 ] - [ 0.0283010000000000, 0.0221350900000000, 0.0337574500000000 ] - [ -0.0043393200000000, 0.0146694500000000, 0.0279403700000000 ] - [ -0.0002136200000000, 0.0138366000000000, 0.0262763900000000 ] - [ -0.0006289800000000, 0.0139070600000000, 0.0273420000000000 ] - [ -0.0298494900000000, 0.0100157300000000, 0.0294713600000000 ] - [ 0.0028007400000000, 0.0102820400000000, 0.0262979900000000 ] - [ -0.0003474200000000, 0.0127772400000000, 0.0259763400000000 ] - [ -0.0014959800000000, 0.0117540900000000, 0.0263817500000000 ] - [ 0.0008310200000000, 0.0008074400000000, -0.0137995600000000 ] - [ -0.0015503400000000, -0.0011864400000000, -0.0012883900000000 ] - [ -0.0037908100000000, 0.0197090000000000, -0.0168559000000000 ] - [ -0.0014343200000000, -0.0010503400000000, -0.0011058200000000 ] - [ 0.0008546700000000, -0.0010110400000000, -0.0032821700000000 ] - [ -0.0004042300000000, 0.0000180200000000, -0.0046420900000000 ] - [ -0.0008297600000000, 0.0008802400000000, -0.0039219100000000 ] - [ 0.0018302000000000, 0.0006287900000000, -0.0037133700000000 ] - [ -0.0010295800000000, -0.0041819300000000, -0.0077003700000000 ] - [ -0.0006127000000000, -0.0042247900000000, -0.0052285100000000 ] - [ 0.0001247700000000, -0.0004705900000000, -0.0011985500000000 ] - [ 0.0004879600000000, -0.0004452200000000, -0.0005888900000000 ] - [ 0.0181368300000000, 0.0273633600000000, -0.0592300900000000 ] - [ -0.0054856700000000, 0.0204167000000000, -0.0607578600000000 ] - [ -0.0010891700000000, 0.0224740800000000, -0.0626773400000000 ] - [ -0.0022619900000000, 0.0216976600000000, -0.0614035500000000 ] - [ 0.0028686000000000, 0.0038929800000000, 0.0165001300000000 ] - [ 0.0009297400000000, -0.0037235100000000, 0.0050697300000000 ] - [ 0.0039631300000000, -0.0141028100000000, 0.0083727900000000 ] - [ 0.0006885100000000, -0.0041505900000000, 0.0046204000000000 ] - [ 0.0001274200000000, -0.0013992600000000, 0.0043351000000000 ] - [ -0.0028338200000000, -0.0005046500000000, 0.0060073000000000 ] - [ -0.0003097800000000, -0.0030999100000000, 0.0030750800000000 ] - [ -0.0043685700000000, -0.0051254300000000, 0.0035454900000000 ] - [ -0.0039975000000000, 0.0034611200000000, -0.0092039500000000 ] - [ 0.0007064900000000, 0.0005299500000000, -0.0112242700000000 ] - [ -0.0012392300000000, 0.0010796900000000, -0.0114871700000000 ] - [ -0.0004457600000000, 0.0010842600000000, -0.0118738800000000 ] - [ 0.0036344200000000, 0.0165917200000000, 0.0164227200000000 ] - [ -0.0000451000000000, 0.0019534100000000, -0.0112255000000000 ] - [ 0.0008649900000000, 0.0029455600000000, -0.0122049900000000 ] - [ 0.0001537800000000, 0.0023895400000000, -0.0114699200000000 ] - [ -0.0013792200000000, -0.0136178500000000, 0.0292401800000000 ] - [ 0.0003769000000000, -0.0136293500000000, 0.0279606600000000 ] - [ 0.0002567100000000, -0.0184133500000000, 0.0318326800000000 ] - [ -0.0003502900000000, -0.0136610400000000, 0.0277654200000000 ] - [ 0.0014987800000000, -0.0104410400000000, 0.0284329800000000 ] - [ -0.0025616200000000, -0.0112483400000000, 0.0274094600000000 ] - [ -0.0001843600000000, -0.0110011000000000, 0.0274356000000000 ] - [ -0.0020173000000000, -0.0112956400000000, 0.0271902200000000 ] - [ -0.0024163300000000, 0.0037801000000000, 0.0057676400000000 ] - [ -0.0017677600000000, 0.0017993400000000, 0.0002586200000000 ] - [ -0.0009421900000000, 0.0052476400000000, 0.0024927100000000 ] - [ -0.0016975800000000, 0.0017991300000000, -0.0000151100000000 ] - [ 0.0012323900000000, 0.0019799700000000, 0.0008104500000000 ] - [ 0.0011709600000000, 0.0026843500000000, 0.0013640900000000 ] - [ 0.0011584500000000, 0.0023405000000000, -0.0000251800000000 ] - [ 0.0006195500000000, 0.0028923500000000, 0.0002472900000000 ] - [ 0.0011134800000000, -0.0012452300000000, 0.0027421100000000 ] - [ 0.0006280500000000, -0.0008054500000000, 0.0017290600000000 ] - [ 0.0012158200000000, 0.0004666900000000, 0.0017922400000000 ] - [ 0.0006762200000000, 0.0007382900000000, 0.0003721500000000 ] - [ -0.0040163900000000, -0.0225970000000000, -0.0583415500000000 ] - [ -0.0002469700000000, -0.0223730500000000, -0.0606476000000000 ] - [ -0.0011899400000000, -0.0204081100000000, -0.0596536400000000 ] - [ -0.0014354200000000, -0.0215618400000000, -0.0607413100000000 ] - [ -0.0016125400000000, 0.0148011500000000, 0.0353432100000000 ] - [ 0.0010414500000000, 0.0037897400000000, 0.0048354000000000 ] - [ 0.0016942300000000, 0.0023894200000000, 0.0046186200000000 ] - [ 0.0011572200000000, 0.0036086600000000, 0.0046701600000000 ] - [ -0.0034403000000000, 0.0020767100000000, 0.0058579400000000 ] - [ 0.0006693500000000, 0.0020015300000000, 0.0047098500000000 ] - [ -0.0020461000000000, 0.0010376100000000, 0.0039156700000000 ] - [ -0.0009259800000000, 0.0015540800000000, 0.0032221000000000 ]- atom: 49 displacement: [ -0.0000055737063633, 0.0000000000000000, -0.0099999984466897 ] forces: - [ -0.0019484000000000, -0.0024985700000000, 0.0050992600000000 ] - [ 0.0018594200000000, 0.0046254900000000, 0.0040921900000000 ] - [ -0.0028564400000000, 0.0138754000000000, 0.0058542200000000 ] - [ 0.0022705800000000, 0.0074380700000000, 0.0048489100000000 ] - [ 0.0007008700000000, -0.0080370100000000, -0.0185755900000000 ] - [ -0.0016983500000000, -0.0024937100000000, -0.0056521200000000 ] - [ -0.0018901700000000, 0.0022807400000000, -0.0044355100000000 ] - [ -0.0014371100000000, -0.0010214400000000, -0.0049625000000000 ] - [ 0.0107256500000000, -0.0110881300000000, 0.0129999300000000 ] - [ -0.0002117900000000, -0.0073181900000000, 0.0057711000000000 ] - [ 0.0039707500000000, -0.0029051100000000, 0.0054803100000000 ] - [ 0.0005323600000000, -0.0053359000000000, 0.0051936800000000 ] - [ 0.0021692400000000, -0.0035761600000000, -0.0023887300000000 ] - [ -0.0022817500000000, 0.0012553600000000, -0.0045540600000000 ] - [ 0.0023909100000000, 0.0086568400000000, -0.0003532200000000 ] - [ -0.0024948300000000, 0.0033390300000000, -0.0042363200000000 ] - [ 0.0068356600000000, -0.0243090000000000, -0.0331883900000000 ] - [ -0.0268439100000000, -0.0143899900000000, -0.0279865100000000 ] - [ -0.0098240000000000, -0.0153003400000000, -0.0288324300000000 ] - [ -0.0097903500000000, -0.0166246400000000, -0.0269486200000000 ] - [ 0.0390590400000000, -0.0918695000000000, -0.1817443400000000 ] - [ 0.0089478400000000, -0.0158618700000000, -0.0252281200000000 ] - [ 0.0093305700000000, -0.0100024600000000, -0.0281078300000000 ] - [ 0.0086807700000000, -0.0147599600000000, -0.0242988200000000 ] - [ 0.0077722000000000, -0.0306176200000000, 0.0641556100000000 ] - [ 0.0295814100000000, -0.0259505500000000, 0.0636386700000000 ] - [ 0.0190198900000000, -0.0264092500000000, 0.0634348400000000 ] - [ 0.0191961400000000, -0.0251745400000000, 0.0636097600000000 ] - [ -0.0256521600000000, -0.0295632000000000, 0.0476460700000000 ] - [ -0.0236972700000000, -0.0238697300000000, 0.0672766000000000 ] - [ -0.0168287400000000, -0.0210677600000000, 0.0535375600000000 ] - [ -0.0235017800000000, -0.0224352800000000, 0.0674991100000000 ] - [ -0.0118647400000000, 0.0188776400000000, -0.0193520300000000 ] - [ -0.0072466800000000, 0.0181765000000000, -0.0226086600000000 ] - [ -0.0120870000000000, 0.0167844300000000, -0.0215286000000000 ] - [ -0.0091612900000000, 0.0181700800000000, -0.0242870500000000 ] - [ 0.0105830300000000, 0.0206176700000000, -0.0091198900000000 ] - [ 0.0084779700000000, 0.0150522900000000, -0.0219974300000000 ] - [ 0.0113791300000000, 0.0135963400000000, -0.0167895800000000 ] - [ 0.0084911700000000, 0.0155129900000000, -0.0228180200000000 ] - [ -0.0204999000000000, 0.0150260600000000, 0.0893759900000000 ] - [ -0.0228708000000000, 0.0222078400000000, 0.0694608600000000 ] - [ -0.0221732300000000, 0.0244211800000000, 0.0715398500000000 ] - [ -0.0227640700000000, 0.0230802000000000, 0.0688015400000000 ] - [ 0.0237549300000000, 0.0242445500000000, 0.0712960900000000 ] - [ 0.0166327500000000, 0.0253264700000000, 0.0714273100000000 ] - [ 0.0207775700000000, 0.0264918000000000, 0.0684468800000000 ] - [ 0.0194736700000000, 0.0266187600000000, 0.0686329500000000 ] - [ -0.0354496700000000, 0.1313226600000000, 0.2544674300000000 ] - [ 0.0028495700000000, -0.0007678700000000, -0.0000964400000000 ] - [ 0.0016837700000000, -0.0044612700000000, -0.0006984900000000 ] - [ 0.0027482300000000, -0.0029784400000000, -0.0018378700000000 ] - [ 0.0200923200000000, 0.0278401100000000, -0.0600270400000000 ] - [ 0.0000514900000000, 0.0344607600000000, -0.0611374700000000 ] - [ 0.0006632600000000, 0.0395146000000000, -0.0576945500000000 ] - [ 0.0034643100000000, 0.0351162900000000, -0.0604972300000000 ] - [ 0.0027504400000000, 0.0098010600000000, -0.0112339400000000 ] - [ 0.0029598100000000, 0.0037987700000000, -0.0033119500000000 ] - [ 0.0033422000000000, 0.0023231700000000, -0.0059913000000000 ] - [ 0.0030337000000000, 0.0027370300000000, -0.0026208600000000 ] - [ -0.0015071000000000, -0.0340064400000000, -0.0636184700000000 ] - [ 0.0043884500000000, -0.0350629500000000, -0.0613960200000000 ] - [ 0.0019178300000000, -0.0344392400000000, -0.0615218000000000 ] - [ 0.0029981400000000, -0.0350304900000000, -0.0611277300000000 ] - [ -0.0022865400000000, 0.0006497500000000, -0.0124516600000000 ] - [ 0.0012201200000000, 0.0006757700000000, -0.0133469000000000 ] - [ -0.0013305300000000, -0.0021093100000000, -0.0108269300000000 ] - [ -0.0001138200000000, -0.0015058200000000, -0.0114999000000000 ] - [ 0.0003922300000000, 0.0130603700000000, -0.0340179100000000 ] - [ 0.0004345300000000, -0.0017760100000000, -0.0115927400000000 ] - [ 0.0002326800000000, -0.0049392000000000, -0.0108475900000000 ] - [ 0.0005780800000000, -0.0024660400000000, -0.0112484800000000 ] - [ -0.0286146400000000, 0.0054958100000000, 0.0214846700000000 ] - [ 0.0038262700000000, 0.0129265300000000, 0.0273420500000000 ] - [ -0.0003035900000000, 0.0137657500000000, 0.0290007000000000 ] - [ 0.0001312700000000, 0.0136907900000000, 0.0279415000000000 ] - [ 0.0278744500000000, 0.0124683600000000, 0.0239737900000000 ] - [ -0.0046216100000000, 0.0122557500000000, 0.0272285600000000 ] - [ -0.0014766400000000, 0.0097811600000000, 0.0275466700000000 ] - [ -0.0003453500000000, 0.0107914400000000, 0.0271470200000000 ] - [ -0.0036715100000000, -0.0037033000000000, 0.0126080100000000 ] - [ -0.0013188900000000, -0.0018694800000000, 0.0001561600000000 ] - [ 0.0009050700000000, -0.0226773500000000, 0.0155065900000000 ] - [ -0.0014347600000000, -0.0020083400000000, -0.0000233000000000 ] - [ 0.0007365200000000, -0.0021172400000000, 0.0008887900000000 ] - [ 0.0019852300000000, -0.0031443500000000, 0.0022502100000000 ] - [ 0.0024103400000000, -0.0040130600000000, 0.0015300200000000 ] - [ -0.0002445600000000, -0.0037594600000000, 0.0013200900000000 ] - [ 0.0022355000000000, 0.0026909300000000, 0.0072759600000000 ] - [ 0.0018502600000000, 0.0027371500000000, 0.0047869600000000 ] - [ 0.0011006600000000, -0.0009929300000000, 0.0007730000000000 ] - [ 0.0007406600000000, -0.0010217000000000, 0.0001660100000000 ] - [ -0.0207496300000000, 0.0159940300000000, -0.0626546700000000 ] - [ 0.0027556500000000, 0.0229102100000000, -0.0612039500000000 ] - [ -0.0016254000000000, 0.0208758000000000, -0.0592968600000000 ] - [ -0.0004430700000000, 0.0216449400000000, -0.0605642400000000 ] - [ -0.0003863100000000, -0.0113959700000000, -0.0068840400000000 ] - [ 0.0015147700000000, -0.0039248500000000, 0.0044142800000000 ] - [ -0.0015501700000000, 0.0065201600000000, 0.0010982700000000 ] - [ 0.0017583000000000, -0.0035003600000000, 0.0048618400000000 ] - [ -0.0025963400000000, -0.0026035100000000, 0.0030092000000000 ] - [ 0.0003369500000000, -0.0034945900000000, 0.0013518400000000 ] - [ -0.0021702500000000, -0.0009110800000000, 0.0042629000000000 ] - [ 0.0019237800000000, 0.0011483100000000, 0.0037978400000000 ] - [ 0.0026953400000000, -0.0025434200000000, -0.0140459800000000 ] - [ -0.0020189900000000, 0.0004176900000000, -0.0120157700000000 ] - [ -0.0000851500000000, -0.0001177400000000, -0.0117551000000000 ] - [ -0.0008717500000000, -0.0001303900000000, -0.0113772100000000 ] - [ -0.0028935000000000, -0.0127603600000000, -0.0396937500000000 ] - [ 0.0008469900000000, 0.0020713400000000, -0.0116990600000000 ] - [ -0.0000629900000000, 0.0011035600000000, -0.0107223300000000 ] - [ 0.0006478300000000, 0.0016384400000000, -0.0114573000000000 ] - [ 0.0008837900000000, -0.0139884700000000, 0.0260600600000000 ] - [ -0.0008755300000000, -0.0139687300000000, 0.0273286900000000 ] - [ -0.0007601900000000, -0.0091633200000000, 0.0234377300000000 ] - [ -0.0001514800000000, -0.0139373200000000, 0.0275222600000000 ] - [ -0.0033493900000000, -0.0121045600000000, 0.0251087800000000 ] - [ 0.0007287000000000, -0.0112951500000000, 0.0261247100000000 ] - [ -0.0016644900000000, -0.0115352600000000, 0.0260989600000000 ] - [ 0.0001897800000000, -0.0112418800000000, 0.0263416100000000 ] - [ -0.0004631300000000, -0.0007075800000000, -0.0068637900000000 ] - [ -0.0011007900000000, 0.0012600200000000, -0.0013855300000000 ] - [ -0.0019375200000000, -0.0022107400000000, -0.0036120000000000 ] - [ -0.0011713600000000, 0.0012605900000000, -0.0011116200000000 ] - [ 0.0003506200000000, 0.0011586300000000, -0.0031893000000000 ] - [ 0.0004186200000000, 0.0004549300000000, -0.0037455900000000 ] - [ 0.0004261300000000, 0.0007983300000000, -0.0023538600000000 ] - [ 0.0009668400000000, 0.0002424600000000, -0.0026282900000000 ] - [ 0.0001182400000000, 0.0027083200000000, -0.0031602500000000 ] - [ 0.0005991800000000, 0.0022701800000000, -0.0021469700000000 ] - [ 0.0000154500000000, 0.0010117500000000, -0.0022204600000000 ] - [ 0.0005514500000000, 0.0007337300000000, -0.0007964900000000 ] - [ 0.0012836100000000, -0.0207533700000000, -0.0636281100000000 ] - [ -0.0024489500000000, -0.0209730200000000, -0.0613244600000000 ] - [ -0.0015205000000000, -0.0229287400000000, -0.0623154400000000 ] - [ -0.0012674800000000, -0.0217790600000000, -0.0612296500000000 ] - [ 0.0040219000000000, -0.0070349300000000, -0.0255042200000000 ] - [ 0.0014034200000000, 0.0038608900000000, 0.0046431600000000 ] - [ 0.0007476000000000, 0.0052641700000000, 0.0048432600000000 ] - [ 0.0012879900000000, 0.0040423100000000, 0.0048087400000000 ] - [ 0.0009549700000000, 0.0019296500000000, 0.0014763900000000 ] - [ -0.0031430900000000, 0.0020085900000000, 0.0026206100000000 ] - [ -0.0004350500000000, 0.0029712500000000, 0.0034159500000000 ] - [ -0.0015523700000000, 0.0024546000000000, 0.0041066100000000 ]- atom: 53 displacement: [ 0.0099999993466229, 0.0000000000000000, -0.0000036149054082 ] forces: - [ -0.0023373400000000, 0.0073863100000000, 0.0107858800000000 ] - [ -0.0023312400000000, 0.0040312400000000, -0.0012883000000000 ] - [ 0.0001475500000000, 0.0071202000000000, 0.0059588700000000 ] - [ 0.0008477700000000, 0.0066248900000000, 0.0041126200000000 ] - [ 0.0133953500000000, -0.0005727800000000, -0.0070743300000000 ] - [ -0.0062233400000000, -0.0025816000000000, -0.0047099600000000 ] - [ 0.0248326100000000, -0.0011318700000000, -0.0053829300000000 ] - [ -0.0052201800000000, -0.0020932000000000, -0.0048286800000000 ] - [ -0.0013001500000000, 0.0012323400000000, -0.0016793600000000 ] - [ -0.0013261500000000, -0.0160620700000000, 0.0120408300000000 ] - [ -0.0034167800000000, -0.0125982400000000, 0.0027068300000000 ] - [ -0.0038808100000000, 0.0015053600000000, 0.0069729400000000 ] - [ 0.0059064400000000, 0.0009631100000000, -0.0047372100000000 ] - [ -0.0048052000000000, 0.0022813900000000, -0.0048412500000000 ] - [ 0.0029041600000000, 0.0027081700000000, -0.0044775600000000 ] - [ -0.0040027900000000, 0.0022874400000000, -0.0048552400000000 ] - [ -0.0039316800000000, -0.0297829900000000, -0.0415337700000000 ] - [ -0.0184315500000000, -0.0143738200000000, -0.0235693300000000 ] - [ 0.0009570800000000, 0.0023697000000000, -0.0381362800000000 ] - [ -0.0162541300000000, -0.0190388300000000, -0.0241054900000000 ] - [ 0.0102960900000000, -0.0031099700000000, -0.0031895300000000 ] - [ 0.0042146500000000, -0.0183599800000000, -0.0262779300000000 ] - [ 0.0183865100000000, -0.0308246200000000, -0.0142037900000000 ] - [ 0.0027275800000000, -0.0131533700000000, -0.0247902400000000 ] - [ 0.1448563900000000, -0.0096105100000000, 0.0690055100000000 ] - [ -0.0099465700000000, -0.0331790000000000, 0.0685943600000000 ] - [ 0.0259421300000000, -0.0238427100000000, 0.0688988500000000 ] - [ 0.0148471900000000, -0.0264838800000000, 0.0668521000000000 ] - [ 0.0428826300000000, -0.0245412300000000, 0.0681207100000000 ] - [ -0.0560859200000000, -0.0158011000000000, 0.0654123100000000 ] - [ -0.0177661000000000, -0.0236352800000000, 0.0651737700000000 ] - [ -0.0263146900000000, -0.0226776200000000, 0.0682955900000000 ] - [ -0.0009256800000000, 0.0203912100000000, -0.0035855000000000 ] - [ -0.0169942100000000, 0.0152433700000000, -0.0283920600000000 ] - [ -0.0058326500000000, 0.0177024800000000, -0.0249282100000000 ] - [ -0.0133171200000000, 0.0176977700000000, -0.0261757700000000 ] - [ 0.0165420900000000, 0.0110805200000000, -0.0400184900000000 ] - [ 0.0017616800000000, 0.0174970400000000, -0.0198089500000000 ] - [ 0.0120220400000000, 0.0158262900000000, -0.0252518400000000 ] - [ 0.0065862700000000, 0.0149439000000000, -0.0227085500000000 ] - [ -0.0181125800000000, 0.0253411100000000, 0.0698691900000000 ] - [ -0.0263793400000000, 0.0214531400000000, 0.0685312000000000 ] - [ -0.0178254500000000, 0.0221779400000000, 0.0680117500000000 ] - [ -0.0259212000000000, 0.0235046900000000, 0.0685333400000000 ] - [ 0.0250284000000000, 0.0229656600000000, 0.0671781700000000 ] - [ 0.0150989200000000, 0.0272952600000000, 0.0671678400000000 ] - [ 0.0248727500000000, 0.0277903200000000, 0.0673043700000000 ] - [ 0.0162370100000000, 0.0260158200000000, 0.0668167900000000 ] - [ 0.0048873100000000, -0.0389362100000000, -0.0196553300000000 ] - [ 0.0066469600000000, 0.0003711600000000, 0.0004345800000000 ] - [ 0.0012175600000000, 0.0015947500000000, -0.0002392100000000 ] - [ 0.0040127000000000, -0.0033764000000000, -0.0030007400000000 ] - [ -0.3638091000000000, 0.0254391600000000, -0.0582235600000000 ] - [ 0.0222597700000000, 0.0349469900000000, -0.0609732800000000 ] - [ -0.0051964500000000, 0.0343964000000000, -0.0609224300000000 ] - [ 0.0072240400000000, 0.0353500500000000, -0.0607834200000000 ] - [ 0.0004887400000000, 0.0010109500000000, 0.0019842700000000 ] - [ 0.0042445100000000, 0.0036736400000000, -0.0039298000000000 ] - [ 0.0015603000000000, 0.0026442600000000, -0.0014456800000000 ] - [ 0.0035621900000000, 0.0027185800000000, -0.0025313600000000 ] - [ -0.0042086100000000, -0.0347902900000000, -0.0611721700000000 ] - [ 0.0072747700000000, -0.0351910400000000, -0.0608804000000000 ] - [ -0.0036107900000000, -0.0348637400000000, -0.0610007200000000 ] - [ 0.0064579700000000, -0.0352621100000000, -0.0608365200000000 ] - [ -0.0023823500000000, -0.0002298000000000, -0.0090929400000000 ] - [ 0.0010958400000000, -0.0003901900000000, -0.0124818900000000 ] - [ -0.0022657000000000, -0.0035440100000000, -0.0077587000000000 ] - [ 0.0005901200000000, 0.0000274100000000, -0.0125056000000000 ] - [ -0.0009630800000000, -0.0005114200000000, -0.0155260400000000 ] - [ 0.0019527300000000, -0.0018675300000000, -0.0107202800000000 ] - [ -0.0008637000000000, -0.0003165800000000, -0.0144287600000000 ] - [ 0.0016679400000000, -0.0026123900000000, -0.0105152400000000 ] - [ -0.0129362900000000, 0.0131155500000000, 0.0268640700000000 ] - [ 0.0052756700000000, 0.0136885300000000, 0.0276637100000000 ] - [ -0.0114241900000000, 0.0139421700000000, 0.0277345300000000 ] - [ 0.0044711100000000, 0.0136220100000000, 0.0276576200000000 ] - [ 0.0057847100000000, 0.0103046300000000, 0.0248120500000000 ] - [ 0.0012225500000000, 0.0127477300000000, 0.0283135800000000 ] - [ 0.0020770500000000, 0.0127306500000000, 0.0260091200000000 ] - [ 0.0022586800000000, 0.0087859700000000, 0.0278397600000000 ] - [ 0.0106278900000000, 0.0161820800000000, -0.0273123000000000 ] - [ 0.0025836200000000, -0.0044200400000000, 0.0013270900000000 ] - [ -0.0014825000000000, -0.0058379800000000, 0.0010124300000000 ] - [ -0.0006853500000000, -0.0007303500000000, -0.0011835700000000 ] - [ 0.0043679300000000, 0.0007701600000000, -0.0022778500000000 ] - [ 0.0132834900000000, -0.0226405400000000, 0.0317100400000000 ] - [ 0.0019111700000000, -0.0023996000000000, -0.0003723200000000 ] - [ 0.0000057200000000, 0.0007700000000000, -0.0023873900000000 ] - [ 0.0015486600000000, 0.0277566100000000, 0.0152765700000000 ] - [ 0.0038463400000000, -0.0020593900000000, -0.0011038900000000 ] - [ -0.0009153000000000, -0.0052180600000000, -0.0023359100000000 ] - [ 0.0017107400000000, -0.0004866600000000, 0.0003966300000000 ] - [ 0.0497608100000000, 0.0089276100000000, -0.0521905900000000 ] - [ 0.0595164600000000, 0.0389253400000000, -0.0716855300000000 ] - [ 0.0000755500000000, 0.0228297900000000, -0.0615742900000000 ] - [ -0.0014332800000000, 0.0200208400000000, -0.0601720500000000 ] - [ 0.0162035600000000, 0.0130772100000000, 0.0264422700000000 ] - [ 0.0057180200000000, -0.0051857000000000, 0.0035664700000000 ] - [ -0.0006324600000000, -0.0056955100000000, 0.0060625700000000 ] - [ 0.0035034900000000, -0.0020073500000000, 0.0051867800000000 ] - [ 0.0023455800000000, -0.0013828000000000, 0.0043548300000000 ] - [ 0.0139822900000000, -0.0219421400000000, -0.0253263300000000 ] - [ 0.0008721400000000, -0.0034992800000000, 0.0033184800000000 ] - [ -0.0035203100000000, -0.0001614300000000, 0.0034539400000000 ] - [ 0.0003376700000000, 0.0073650000000000, -0.0294331200000000 ] - [ 0.0034833700000000, 0.0008044500000000, -0.0095803700000000 ] - [ -0.0026837400000000, -0.0004010600000000, -0.0116717200000000 ] - [ 0.0009004700000000, 0.0007333300000000, -0.0117360200000000 ] - [ 0.0029853500000000, -0.0032693400000000, 0.0049992100000000 ] - [ 0.0049881100000000, 0.0017536800000000, -0.0136467600000000 ] - [ -0.0008085500000000, 0.0028135300000000, -0.0108215500000000 ] - [ 0.0020333600000000, 0.0014325300000000, -0.0114048300000000 ] - [ -0.0124010800000000, -0.0142148800000000, 0.0279122000000000 ] - [ 0.0051968500000000, -0.0136247000000000, 0.0275850600000000 ] - [ -0.0038411400000000, -0.0142319300000000, 0.0279478400000000 ] - [ 0.0025845900000000, -0.0136076600000000, 0.0275554400000000 ] - [ 0.0025914100000000, -0.0102203400000000, 0.0292939000000000 ] - [ 0.0031504200000000, -0.0116264000000000, 0.0234581300000000 ] - [ 0.0000898900000000, -0.0104738000000000, 0.0273325500000000 ] - [ -0.0010308000000000, -0.0121303600000000, 0.0262932700000000 ] - [ -0.0023651500000000, 0.0002175500000000, 0.0003775900000000 ] - [ -0.0000225000000000, 0.0022993100000000, -0.0019093500000000 ] - [ -0.0021235500000000, 0.0038199700000000, 0.0027060900000000 ] - [ -0.0001671300000000, 0.0006864700000000, -0.0021721700000000 ] - [ 0.0021383200000000, 0.0010396300000000, -0.0000183200000000 ] - [ -0.0004483000000000, 0.0027764600000000, -0.0025063500000000 ] - [ 0.0019487200000000, 0.0023333600000000, 0.0003114900000000 ] - [ 0.0000854500000000, -0.0018468500000000, -0.0057495800000000 ] - [ -0.0013012100000000, 0.0034614300000000, -0.0053740200000000 ] - [ 0.0018708900000000, 0.0003104800000000, 0.0009930400000000 ] - [ -0.0003488500000000, 0.0000602300000000, -0.0002506200000000 ] - [ 0.0013464400000000, 0.0006788500000000, 0.0002185800000000 ] - [ -0.0001996000000000, -0.0231688100000000, -0.0621684300000000 ] - [ -0.0013111200000000, -0.0199352400000000, -0.0600309800000000 ] - [ -0.0007324800000000, -0.0221332000000000, -0.0614322500000000 ] - [ -0.0009575100000000, -0.0214624300000000, -0.0606077000000000 ] - [ 0.0005283400000000, 0.0020801100000000, 0.0012445600000000 ] - [ 0.0025153000000000, 0.0041213500000000, 0.0055560700000000 ] - [ -0.0005399300000000, 0.0055372300000000, 0.0019890200000000 ] - [ 0.0029773800000000, 0.0027926800000000, 0.0056146900000000 ] - [ 0.0002571800000000, 0.0018702200000000, 0.0026121000000000 ] - [ -0.0024164900000000, 0.0031141100000000, 0.0059338700000000 ] - [ 0.0003853600000000, 0.0029686600000000, 0.0028103400000000 ] - [ -0.0028734500000000, 0.0004827200000000, 0.0071004400000000 ]- atom: 53 displacement: [ -0.0099999993466229, 0.0000000000000000, 0.0000036149054082 ] forces: - [ 0.0057807500000000, 0.0051029900000000, -0.0010974800000000 ] - [ 0.0057996500000000, 0.0084659300000000, 0.0109914200000000 ] - [ 0.0032876100000000, 0.0053851500000000, 0.0037684900000000 ] - [ 0.0026210700000000, 0.0058835700000000, 0.0056152500000000 ] - [ -0.0164855500000000, -0.0034293300000000, -0.0027767800000000 ] - [ 0.0031756500000000, -0.0016154500000000, -0.0050989000000000 ] - [ -0.0279969400000000, -0.0032110800000000, -0.0044539200000000 ] - [ 0.0021764100000000, -0.0020580600000000, -0.0049806000000000 ] - [ 0.0047094200000000, -0.0137861200000000, 0.0114546400000000 ] - [ 0.0048299500000000, 0.0035281000000000, -0.0022745500000000 ] - [ 0.0068571000000000, 0.0001490300000000, 0.0070267000000000 ] - [ 0.0073578700000000, -0.0139835300000000, 0.0027569100000000 ] - [ -0.0089722700000000, 0.0032152200000000, -0.0050425500000000 ] - [ 0.0017563100000000, 0.0018964900000000, -0.0049770300000000 ] - [ -0.0059594600000000, 0.0014660500000000, -0.0053346200000000 ] - [ 0.0009577500000000, 0.0018842700000000, -0.0049643900000000 ] - [ -0.0153336400000000, -0.0056992300000000, -0.0093938200000000 ] - [ -0.0008735700000000, -0.0211638700000000, -0.0274403100000000 ] - [ -0.0201294500000000, -0.0378514000000000, -0.0128118700000000 ] - [ -0.0030409900000000, -0.0164464300000000, -0.0269021300000000 ] - [ 0.0083535900000000, -0.0272423300000000, -0.0439233600000000 ] - [ 0.0144962700000000, -0.0119973600000000, -0.0208449400000000 ] - [ 0.0001613600000000, 0.0005831900000000, -0.0328808200000000 ] - [ 0.0159663500000000, -0.0171608500000000, -0.0223234300000000 ] - [ -0.0947012300000000, -0.0399162300000000, 0.0649916800000000 ] - [ 0.0501541900000000, -0.0191188900000000, 0.0653850800000000 ] - [ 0.0141239400000000, -0.0285243400000000, 0.0650777200000000 ] - [ 0.0251655400000000, -0.0258602900000000, 0.0671202200000000 ] - [ -0.0947482100000000, -0.0194114100000000, 0.0685060400000000 ] - [ 0.0113902600000000, -0.0301883200000000, 0.0711627600000000 ] - [ -0.0268763900000000, -0.0223993700000000, 0.0714099300000000 ] - [ -0.0182544000000000, -0.0233277600000000, 0.0682808100000000 ] - [ -0.0182302700000000, 0.0150699300000000, -0.0474154200000000 ] - [ -0.0023105100000000, 0.0202871400000000, -0.0225522600000000 ] - [ -0.0134355300000000, 0.0177923900000000, -0.0260895400000000 ] - [ -0.0059934200000000, 0.0178163300000000, -0.0248060200000000 ] - [ 0.0019955900000000, 0.0192418200000000, -0.0070494600000000 ] - [ 0.0169509200000000, 0.0128559100000000, -0.0272570800000000 ] - [ 0.0066245700000000, 0.0144931700000000, -0.0218800100000000 ] - [ 0.0121142000000000, 0.0153955400000000, -0.0243897100000000 ] - [ -0.0265076300000000, 0.0206644500000000, 0.0666895800000000 ] - [ -0.0181946700000000, 0.0245463800000000, 0.0680354200000000 ] - [ -0.0267966700000000, 0.0238314900000000, 0.0685493400000000 ] - [ -0.0186555100000000, 0.0225055000000000, 0.0680368100000000 ] - [ 0.0150123700000000, 0.0293816000000000, 0.0667850000000000 ] - [ 0.0249215900000000, 0.0250394700000000, 0.0667992500000000 ] - [ 0.0151718200000000, 0.0245500200000000, 0.0666534100000000 ] - [ 0.0237824200000000, 0.0263321400000000, 0.0671529800000000 ] - [ 0.0006818900000000, 0.0335973700000000, 0.0155869700000000 ] - [ -0.0012739000000000, -0.0058711600000000, -0.0045406200000000 ] - [ 0.0042209300000000, -0.0071105800000000, -0.0039684100000000 ] - [ 0.0013549800000000, -0.0021687800000000, -0.0011349500000000 ] - [ 0.3662108000000000, 0.0399566200000000, -0.0633360400000000 ] - [ -0.0172256200000000, 0.0352647600000000, -0.0608450800000000 ] - [ 0.0102704700000000, 0.0358243400000000, -0.0608642900000000 ] - [ -0.0021598100000000, 0.0348731700000000, -0.0609946500000000 ] - [ 0.0048999200000000, 0.0045186400000000, -0.0061257800000000 ] - [ 0.0011250900000000, 0.0018692200000000, -0.0002109200000000 ] - [ 0.0038193900000000, 0.0028854900000000, -0.0026790000000000 ] - [ 0.0018067100000000, 0.0028176500000000, -0.0016000500000000 ] - [ 0.0092846300000000, -0.0354284400000000, -0.0606057400000000 ] - [ -0.0022125000000000, -0.0350270800000000, -0.0608968500000000 ] - [ 0.0086845400000000, -0.0353480500000000, -0.0607751300000000 ] - [ -0.0013960700000000, -0.0349590000000000, -0.0609403800000000 ] - [ 0.0010507300000000, -0.0007277300000000, -0.0141679100000000 ] - [ -0.0024157200000000, -0.0005657600000000, -0.0107632800000000 ] - [ 0.0009346600000000, 0.0025852600000000, -0.0154861100000000 ] - [ -0.0019089300000000, -0.0009919400000000, -0.0107368300000000 ] - [ 0.0017822800000000, -0.0035217300000000, -0.0073980700000000 ] - [ -0.0011565800000000, -0.0021628800000000, -0.0122055300000000 ] - [ 0.0016778500000000, -0.0037171600000000, -0.0084916200000000 ] - [ -0.0008723700000000, -0.0014226300000000, -0.0124090900000000 ] - [ 0.0124574300000000, 0.0144736300000000, 0.0284096600000000 ] - [ -0.0057820100000000, 0.0139180100000000, 0.0276260400000000 ] - [ 0.0109243000000000, 0.0137049900000000, 0.0274828000000000 ] - [ -0.0049804400000000, 0.0139742400000000, 0.0276335200000000 ] - [ -0.0076082600000000, 0.0122399300000000, 0.0287143000000000 ] - [ -0.0030966100000000, 0.0097961000000000, 0.0252091400000000 ] - [ -0.0038938500000000, 0.0097972700000000, 0.0275214000000000 ] - [ -0.0041251500000000, 0.0137504900000000, 0.0256879900000000 ] - [ -0.0135613100000000, -0.0194281500000000, 0.0265081800000000 ] - [ -0.0054592600000000, 0.0013321600000000, -0.0024113400000000 ] - [ -0.0013816500000000, 0.0027983500000000, -0.0021516300000000 ] - [ -0.0021930800000000, -0.0023185500000000, 0.0000571200000000 ] - [ -0.0027903400000000, -0.0039389100000000, -0.0000655800000000 ] - [ -0.0116874700000000, 0.0193564000000000, -0.0338366000000000 ] - [ -0.0003230200000000, -0.0007271800000000, -0.0020127500000000 ] - [ 0.0015719100000000, -0.0039057100000000, -0.0000044500000000 ] - [ -0.0004942400000000, -0.0292303500000000, -0.0157156000000000 ] - [ -0.0026292500000000, 0.0006169300000000, 0.0007010900000000 ] - [ 0.0021027800000000, 0.0037779500000000, 0.0018638700000000 ] - [ -0.0004820000000000, -0.0009892100000000, -0.0008258700000000 ] - [ -0.0531175700000000, 0.0345762000000000, -0.0699453300000000 ] - [ -0.0615562000000000, 0.0046029800000000, -0.0504656800000000 ] - [ -0.0027510900000000, 0.0205087400000000, -0.0603921000000000 ] - [ -0.0013013100000000, 0.0233213700000000, -0.0617975300000000 ] - [ -0.0138892300000000, -0.0209946100000000, -0.0172990800000000 ] - [ -0.0032780300000000, -0.0024925500000000, 0.0058928300000000 ] - [ 0.0030990200000000, -0.0019450300000000, 0.0034245700000000 ] - [ -0.0010659100000000, -0.0056459800000000, 0.0042915300000000 ] - [ -0.0048365900000000, -0.0026562400000000, 0.0029561100000000 ] - [ -0.0163978600000000, 0.0177240700000000, 0.0323676200000000 ] - [ -0.0033524200000000, -0.0005101800000000, 0.0040159800000000 ] - [ 0.0010267000000000, -0.0038493900000000, 0.0038888300000000 ] - [ -0.0018229800000000, -0.0063950600000000, 0.0062135300000000 ] - [ -0.0048214200000000, 0.0001527100000000, -0.0137096000000000 ] - [ 0.0013045900000000, 0.0014008200000000, -0.0115612400000000 ] - [ -0.0022175100000000, 0.0002153900000000, -0.0115190400000000 ] - [ -0.0020580000000000, 0.0073244700000000, -0.0279634600000000 ] - [ -0.0041777300000000, 0.0022781600000000, -0.0093232900000000 ] - [ 0.0016906400000000, 0.0012686400000000, -0.0120855700000000 ] - [ -0.0012401500000000, 0.0025929700000000, -0.0115295800000000 ] - [ 0.0119080100000000, -0.0134127800000000, 0.0275045700000000 ] - [ -0.0057084700000000, -0.0139774200000000, 0.0276932800000000 ] - [ 0.0033422000000000, -0.0133748900000000, 0.0273513400000000 ] - [ -0.0030898800000000, -0.0139895800000000, 0.0277278900000000 ] - [ -0.0043953300000000, -0.0123182600000000, 0.0242234300000000 ] - [ -0.0050409900000000, -0.0109119000000000, 0.0300669700000000 ] - [ -0.0019015800000000, -0.0120688300000000, 0.0261978500000000 ] - [ -0.0008357700000000, -0.0104113400000000, 0.0272393400000000 ] - [ -0.0004954600000000, 0.0028506700000000, -0.0015017200000000 ] - [ -0.0028538600000000, 0.0007616600000000, 0.0007884200000000 ] - [ -0.0007329300000000, -0.0007640300000000, -0.0038435000000000 ] - [ -0.0027113000000000, 0.0023646500000000, 0.0010440500000000 ] - [ -0.0005530600000000, 0.0021010900000000, -0.0023644800000000 ] - [ 0.0020265800000000, 0.0003660800000000, 0.0001294900000000 ] - [ -0.0003612100000000, 0.0007926500000000, -0.0027020500000000 ] - [ 0.0014871000000000, 0.0049919400000000, 0.0033637000000000 ] - [ 0.0025210700000000, -0.0020007100000000, 0.0049498300000000 ] - [ -0.0006455600000000, 0.0011648500000000, -0.0014321900000000 ] - [ 0.0015729800000000, 0.0014045700000000, -0.0001711500000000 ] - [ -0.0001174900000000, 0.0007890100000000, -0.0006439400000000 ] - [ -0.0024880000000000, -0.0201697800000000, -0.0597953300000000 ] - [ -0.0014124500000000, -0.0234076300000000, -0.0619367200000000 ] - [ -0.0019549400000000, -0.0212121200000000, -0.0605353900000000 ] - [ -0.0017642300000000, -0.0218827400000000, -0.0613613600000000 ] - [ 0.0019250100000000, 0.0055790500000000, 0.0082487400000000 ] - [ -0.0000782500000000, 0.0035384000000000, 0.0039308100000000 ] - [ 0.0030034100000000, 0.0021029900000000, 0.0075040200000000 ] - [ -0.0005370000000000, 0.0048595500000000, 0.0038712500000000 ] - [ -0.0027366000000000, 0.0021507300000000, 0.0047303900000000 ] - [ -0.0000709300000000, 0.0008982700000000, 0.0013996600000000 ] - [ -0.0028675700000000, 0.0010432100000000, 0.0045322900000000 ] - [ 0.0003794800000000, 0.0035255300000000, 0.0002406800000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0015586400000000, 0.0076004900000000, 0.0043947100000000 ] - [ 0.0017215700000000, 0.0074515400000000, 0.0042824400000000 ] - [ 0.0013502100000000, 0.0050614400000000, 0.0048961100000000 ] - [ 0.0019679700000000, 0.0051727600000000, 0.0047978500000000 ] - [ -0.0006451600000000, -0.0135349300000000, -0.0004621700000000 ] - [ -0.0016459200000000, -0.0028392700000000, -0.0045682200000000 ] - [ -0.0026549100000000, 0.0039998100000000, -0.0014760600000000 ] - [ -0.0016265100000000, -0.0017417400000000, -0.0049057600000000 ] - [ 0.0022707900000000, -0.0085043600000000, 0.0066287300000000 ] - [ 0.0007876000000000, -0.0083955700000000, 0.0066342800000000 ] - [ -0.0017616900000000, -0.0072596100000000, 0.0040150800000000 ] - [ 0.0043126400000000, -0.0065194000000000, 0.0043912500000000 ] - [ -0.0014439000000000, 0.0042073400000000, -0.0049704400000000 ] - [ -0.0016052700000000, 0.0025136900000000, -0.0050731400000000 ] - [ -0.0012676300000000, 0.0002801300000000, -0.0056791700000000 ] - [ -0.0015632400000000, 0.0016440400000000, -0.0051557400000000 ] - [ -0.0123907300000000, -0.0229514400000000, -0.0328003200000000 ] - [ -0.0085379100000000, -0.0187230900000000, -0.0260842100000000 ] - [ -0.0038883700000000, -0.0164597700000000, -0.0212347000000000 ] - [ -0.0107939100000000, -0.0167040900000000, -0.0257938000000000 ] - [ 0.0120160700000000, -0.0195365900000000, -0.0295680000000000 ] - [ 0.0083816900000000, -0.0161251500000000, -0.0242822200000000 ] - [ 0.0044539800000000, -0.0139111700000000, -0.0181969000000000 ] - [ 0.0099184900000000, -0.0142311900000000, -0.0238273700000000 ] - [ 0.0622526100000000, -0.0002314500000000, 0.0700702900000000 ] - [ 0.0245110700000000, -0.0245125200000000, 0.0662052800000000 ] - [ 0.0221075000000000, -0.0312709100000000, 0.0684299900000000 ] - [ 0.0188497300000000, -0.0271787200000000, 0.0674186300000000 ] - [ -0.0552120000000000, 0.0029008600000000, 0.0729566900000000 ] - [ -0.0269769800000000, -0.0216982100000000, 0.0672417500000000 ] - [ -0.0237861700000000, -0.0297760100000000, 0.0691710700000000 ] - [ -0.0216718700000000, -0.0238757100000000, 0.0686690800000000 ] - [ -0.0071495700000000, 0.0265603600000000, -0.0251944300000000 ] - [ -0.0102471000000000, 0.0188706500000000, -0.0249301800000000 ] - [ -0.0087160800000000, 0.0138902300000000, -0.0276769000000000 ] - [ -0.0105573100000000, 0.0168815900000000, -0.0255859400000000 ] - [ 0.0075293700000000, 0.0231590800000000, -0.0247765200000000 ] - [ 0.0095745900000000, 0.0160481900000000, -0.0230098800000000 ] - [ 0.0087512300000000, 0.0115526400000000, -0.0260473000000000 ] - [ 0.0098626000000000, 0.0144983500000000, -0.0235655500000000 ] - [ -0.0221608100000000, 0.0237118600000000, 0.0666039900000000 ] - [ -0.0223693700000000, 0.0230694200000000, 0.0678626600000000 ] - [ -0.0228525700000000, 0.0229119500000000, 0.0681165600000000 ] - [ -0.0219656100000000, 0.0231224000000000, 0.0682624700000000 ] - [ 0.0201347900000000, 0.0264677300000000, 0.0653902000000000 ] - [ 0.0198384200000000, 0.0262695000000000, 0.0665006300000000 ] - [ 0.0209083500000000, 0.0260906300000000, 0.0668993000000000 ] - [ 0.0194229200000000, 0.0263075500000000, 0.0669066700000000 ] - [ -0.0078606900000000, 0.0098693600000000, 0.0052571200000000 ] - [ 0.0032505900000000, -0.0020916400000000, -0.0014302600000000 ] - [ 0.0072991100000000, 0.0031248100000000, -0.0064373000000000 ] - [ 0.0025507400000000, -0.0028059400000000, -0.0020724400000000 ] - [ -0.0046393800000000, -0.0461543900000000, -0.0766039000000000 ] - [ 0.0023766400000000, 0.0355847400000000, -0.0607962700000000 ] - [ 0.0018259000000000, 0.0376448900000000, -0.0608609300000000 ] - [ 0.0027734600000000, 0.0354999900000000, -0.0608547000000000 ] - [ 0.0029011500000000, 0.0013309300000000, -0.0009613100000000 ] - [ 0.0026839700000000, 0.0026157300000000, -0.0020159700000000 ] - [ 0.0025522300000000, 0.0029670100000000, -0.0014017500000000 ] - [ 0.0025754200000000, 0.0028739800000000, -0.0019879800000000 ] - [ 0.0022189700000000, -0.0351392100000000, -0.0605640900000000 ] - [ 0.0026174400000000, -0.0351080100000000, -0.0607903600000000 ] - [ 0.0022968600000000, -0.0351097800000000, -0.0608155500000000 ] - [ 0.0026871100000000, -0.0352376900000000, -0.0608306400000000 ] - [ -0.0006574200000000, -0.0014120600000000, -0.0100993200000000 ] - [ -0.0007237500000000, -0.0007395700000000, -0.0112680800000000 ] - [ -0.0009236400000000, 0.0001935100000000, -0.0121281300000000 ] - [ -0.0004954300000000, -0.0004342700000000, -0.0115393100000000 ] - [ 0.0003246900000000, -0.0032274900000000, -0.0100300400000000 ] - [ 0.0004997300000000, -0.0022919200000000, -0.0110822700000000 ] - [ 0.0005999600000000, -0.0011506900000000, -0.0122301000000000 ] - [ 0.0002990200000000, -0.0019809500000000, -0.0113584700000000 ] - [ 0.0001569900000000, 0.0160078900000000, 0.0292170100000000 ] - [ -0.0001773900000000, 0.0141080000000000, 0.0277924500000000 ] - [ -0.0012283600000000, 0.0147696200000000, 0.0233353500000000 ] - [ -0.0000879700000000, 0.0134978400000000, 0.0276597300000000 ] - [ -0.0029229500000000, 0.0112021900000000, 0.0274710200000000 ] - [ 0.0009331100000000, 0.0112621100000000, 0.0274995000000000 ] - [ 0.0009373000000000, 0.0110861100000000, 0.0264704800000000 ] - [ -0.0025115200000000, 0.0111820000000000, 0.0265886800000000 ] - [ 0.0028335200000000, -0.0080333100000000, 0.0008074400000000 ] - [ -0.0011864700000000, -0.0026147500000000, 0.0004661400000000 ] - [ -0.0013237400000000, 0.0018430400000000, -0.0025704300000000 ] - [ -0.0014298600000000, -0.0008160300000000, -0.0009595800000000 ] - [ 0.0006269600000000, -0.0026784900000000, -0.0001356400000000 ] - [ -0.0039900000000000, -0.0087341800000000, 0.0006813700000000 ] - [ 0.0008337400000000, -0.0008504500000000, -0.0016102700000000 ] - [ 0.0006820800000000, 0.0012198500000000, -0.0028539600000000 ] - [ 0.0089461600000000, 0.0130212300000000, 0.0082998200000000 ] - [ 0.0002172800000000, -0.0003633200000000, 0.0001688300000000 ] - [ -0.0024443000000000, 0.0029428800000000, -0.0034222400000000 ] - [ 0.0008471000000000, -0.0007381500000000, -0.0001610700000000 ] - [ -0.0125753500000000, 0.0277212700000000, -0.0640580000000000 ] - [ 0.0082157200000000, 0.0284047900000000, -0.0636476700000000 ] - [ 0.0000801900000000, 0.0224914300000000, -0.0613389500000000 ] - [ -0.0025307900000000, 0.0222458800000000, -0.0612862900000000 ] - [ 0.0136415300000000, -0.0078568300000000, 0.0107594500000000 ] - [ 0.0010355600000000, -0.0046354700000000, 0.0043062000000000 ] - [ 0.0013437600000000, -0.0011066400000000, 0.0052900600000000 ] - [ 0.0014249900000000, -0.0031320600000000, 0.0048015400000000 ] - [ -0.0007799700000000, -0.0028617500000000, 0.0032660000000000 ] - [ -0.0127194500000000, -0.0075238800000000, 0.0080566900000000 ] - [ -0.0013097300000000, -0.0013720900000000, 0.0036737800000000 ] - [ -0.0015689500000000, 0.0002055800000000, 0.0037752600000000 ] - [ 0.0050425500000000, 0.0000948600000000, -0.0213080300000000 ] - [ -0.0012584300000000, 0.0000581700000000, -0.0126343000000000 ] - [ -0.0051653200000000, 0.0057694300000000, -0.0100290400000000 ] - [ -0.0001874300000000, 0.0007638300000000, -0.0116932400000000 ] - [ -0.0045017500000000, 0.0017550000000000, -0.0194602400000000 ] - [ 0.0009189500000000, 0.0017182400000000, -0.0122281600000000 ] - [ 0.0055326300000000, 0.0078407500000000, -0.0094359600000000 ] - [ 0.0000472800000000, 0.0022220300000000, -0.0115379300000000 ] - [ -0.0009884500000000, -0.0190356400000000, 0.0327665200000000 ] - [ -0.0001361400000000, -0.0139915000000000, 0.0275851200000000 ] - [ -0.0003398700000000, -0.0123854300000000, 0.0271929300000000 ] - [ -0.0000866700000000, -0.0134837000000000, 0.0275315600000000 ] - [ -0.0002791800000000, -0.0124384400000000, 0.0265879500000000 ] - [ -0.0014465000000000, -0.0126180600000000, 0.0265617900000000 ] - [ 0.0002602500000000, -0.0105613600000000, 0.0271683800000000 ] - [ -0.0019490300000000, -0.0107828700000000, 0.0270869700000000 ] - [ -0.0011137600000000, 0.0028751600000000, -0.0002832800000000 ] - [ -0.0013227700000000, 0.0019664700000000, -0.0006098200000000 ] - [ -0.0014038000000000, 0.0006815400000000, 0.0001031300000000 ] - [ -0.0016522100000000, 0.0010825800000000, -0.0005748300000000 ] - [ 0.0007689000000000, 0.0020387200000000, -0.0010937600000000 ] - [ 0.0005009400000000, 0.0029941300000000, -0.0007601100000000 ] - [ 0.0011032400000000, 0.0010670000000000, -0.0011262200000000 ] - [ 0.0006869800000000, 0.0005858000000000, -0.0010288900000000 ] - [ 0.0003501900000000, -0.0003613800000000, 0.0004146000000000 ] - [ 0.0006767500000000, 0.0005927400000000, -0.0001318100000000 ] - [ 0.0005853900000000, 0.0009348600000000, 0.0002023500000000 ] - [ 0.0007551500000000, 0.0007925000000000, -0.0001059900000000 ] - [ -0.0012288400000000, -0.0218891000000000, -0.0607680100000000 ] - [ -0.0013397400000000, -0.0217956900000000, -0.0607533000000000 ] - [ -0.0007215300000000, -0.0215639800000000, -0.0609061800000000 ] - [ -0.0019438900000000, -0.0215219700000000, -0.0609110200000000 ] - [ 0.0008662600000000, 0.0046245400000000, 0.0062095000000000 ] - [ 0.0012564600000000, 0.0041047700000000, 0.0051133800000000 ] - [ 0.0016553800000000, 0.0031007200000000, 0.0042641400000000 ] - [ 0.0011671500000000, 0.0035879000000000, 0.0048317100000000 ] - [ -0.0012189200000000, 0.0022885000000000, 0.0040799100000000 ] - [ -0.0010425000000000, 0.0027664200000000, 0.0052395900000000 ] - [ -0.0011095300000000, 0.0018021400000000, 0.0037041900000000 ] - [ -0.0017322700000000, 0.0013413400000000, 0.0034149800000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0019005300000000, 0.0049026900000000, 0.0053563100000000 ] - [ 0.0017320900000000, 0.0050612400000000, 0.0054677800000000 ] - [ 0.0021212700000000, 0.0074448700000000, 0.0048367700000000 ] - [ 0.0014742100000000, 0.0073343200000000, 0.0049342500000000 ] - [ -0.0024076100000000, 0.0093630600000000, -0.0093382900000000 ] - [ -0.0014072100000000, -0.0013117100000000, -0.0052438000000000 ] - [ -0.0003766000000000, -0.0090752300000000, -0.0088692500000000 ] - [ -0.0014292100000000, -0.0024540600000000, -0.0049093600000000 ] - [ 0.0012037400000000, -0.0039523000000000, 0.0030712800000000 ] - [ 0.0026569000000000, -0.0040543700000000, 0.0030562500000000 ] - [ 0.0052461600000000, -0.0052744800000000, 0.0057157600000000 ] - [ -0.0008866700000000, -0.0060136200000000, 0.0053400800000000 ] - [ -0.0016117300000000, -0.0000445800000000, -0.0048252500000000 ] - [ -0.0014536000000000, 0.0016566500000000, -0.0047335900000000 ] - [ -0.0017882100000000, 0.0038997700000000, -0.0041315200000000 ] - [ -0.0014923100000000, 0.0025298200000000, -0.0046550800000000 ] - [ -0.0069221400000000, -0.0125470700000000, -0.0182120200000000 ] - [ -0.0107446200000000, -0.0167828400000000, -0.0248973200000000 ] - [ -0.0154706300000000, -0.0191315100000000, -0.0297979900000000 ] - [ -0.0084915300000000, -0.0188322600000000, -0.0251946800000000 ] - [ 0.0066867100000000, -0.0107938200000000, -0.0175426800000000 ] - [ 0.0102957600000000, -0.0142293300000000, -0.0228225400000000 ] - [ 0.0142845200000000, -0.0165267500000000, -0.0289837000000000 ] - [ 0.0087718300000000, -0.0161578900000000, -0.0232932900000000 ] - [ -0.0221934900000000, -0.0525816500000000, 0.0638160300000000 ] - [ 0.0154235400000000, -0.0278426400000000, 0.0677348500000000 ] - [ 0.0178620300000000, -0.0210316500000000, 0.0655381700000000 ] - [ 0.0211832800000000, -0.0251609400000000, 0.0665548100000000 ] - [ 0.0104477400000000, -0.0493362300000000, 0.0635118200000000 ] - [ -0.0174949100000000, -0.0243043600000000, 0.0693032700000000 ] - [ -0.0207615800000000, -0.0161540400000000, 0.0673954400000000 ] - [ -0.0229249400000000, -0.0221034400000000, 0.0679026400000000 ] - [ -0.0121897800000000, 0.0089111600000000, -0.0258366500000000 ] - [ -0.0090435800000000, 0.0166365900000000, -0.0260898000000000 ] - [ -0.0106132200000000, 0.0216722900000000, -0.0232824000000000 ] - [ -0.0087289600000000, 0.0186442500000000, -0.0254112100000000 ] - [ 0.0111939800000000, 0.0071808400000000, -0.0223735800000000 ] - [ 0.0091121300000000, 0.0143074800000000, -0.0241455500000000 ] - [ 0.0099643300000000, 0.0188534100000000, -0.0210414100000000 ] - [ 0.0088198500000000, 0.0158790400000000, -0.0235651800000000 ] - [ -0.0224172800000000, 0.0222797000000000, 0.0699768500000000 ] - [ -0.0222171100000000, 0.0229222000000000, 0.0687075300000000 ] - [ -0.0217178500000000, 0.0230641900000000, 0.0684619500000000 ] - [ -0.0226246700000000, 0.0228538300000000, 0.0683121200000000 ] - [ 0.0198676500000000, 0.0258855000000000, 0.0685865200000000 ] - [ 0.0201804900000000, 0.0260788600000000, 0.0674768000000000 ] - [ 0.0190864100000000, 0.0262475500000000, 0.0670867400000000 ] - [ 0.0205955900000000, 0.0260300100000000, 0.0670688000000000 ] - [ 0.0130634700000000, -0.0153121900000000, -0.0093150900000000 ] - [ 0.0021091100000000, -0.0034668900000000, -0.0027131900000000 ] - [ -0.0020013400000000, -0.0087185600000000, 0.0023931500000000 ] - [ 0.0028209900000000, -0.0027223600000000, -0.0020469700000000 ] - [ 0.0098803100000000, 0.1178922800000000, -0.0446744000000000 ] - [ 0.0026980900000000, 0.0346418900000000, -0.0609354500000000 ] - [ 0.0032558300000000, 0.0325652300000000, -0.0609152300000000 ] - [ 0.0022975500000000, 0.0347196400000000, -0.0609289600000000 ] - [ 0.0024636300000000, 0.0042071700000000, -0.0031612900000000 ] - [ 0.0026845700000000, 0.0029153600000000, -0.0020973000000000 ] - [ 0.0028151300000000, 0.0025762000000000, -0.0027323400000000 ] - [ 0.0027941800000000, 0.0026623800000000, -0.0021333300000000 ] - [ 0.0028593100000000, -0.0350881500000000, -0.0612177200000000 ] - [ 0.0024553500000000, -0.0351180900000000, -0.0609912200000000 ] - [ 0.0027832400000000, -0.0351146800000000, -0.0609700500000000 ] - [ 0.0023880800000000, -0.0349855100000000, -0.0609516100000000 ] - [ -0.0006641500000000, 0.0004287000000000, -0.0131548000000000 ] - [ -0.0006035400000000, -0.0002369200000000, -0.0119863400000000 ] - [ -0.0003963400000000, -0.0011637000000000, -0.0111303300000000 ] - [ -0.0008321800000000, -0.0005388300000000, -0.0117159700000000 ] - [ 0.0004772400000000, -0.0008180500000000, -0.0129066000000000 ] - [ 0.0003063600000000, -0.0017448600000000, -0.0118539900000000 ] - [ 0.0002027300000000, -0.0028846000000000, -0.0107025500000000 ] - [ 0.0005079500000000, -0.0020538200000000, -0.0115782200000000 ] - [ -0.0006547600000000, 0.0115856200000000, 0.0260522400000000 ] - [ -0.0003301000000000, 0.0134967800000000, 0.0274911200000000 ] - [ 0.0007426200000000, 0.0128432800000000, 0.0320009700000000 ] - [ -0.0004175400000000, 0.0141171500000000, 0.0276271100000000 ] - [ 0.0010637000000000, 0.0113306200000000, 0.0260475200000000 ] - [ -0.0027414400000000, 0.0112697400000000, 0.0260226700000000 ] - [ -0.0027951800000000, 0.0114620500000000, 0.0270571600000000 ] - [ 0.0006854900000000, 0.0113684800000000, 0.0269373900000000 ] - [ -0.0056715100000000, 0.0050506100000000, -0.0019696800000000 ] - [ -0.0016941400000000, -0.0004183300000000, -0.0016009000000000 ] - [ -0.0015562300000000, -0.0049103500000000, 0.0014700500000000 ] - [ -0.0014417300000000, -0.0022429300000000, -0.0001545900000000 ] - [ 0.0009591900000000, -0.0004381400000000, -0.0022610300000000 ] - [ 0.0055320800000000, 0.0056884600000000, -0.0031265100000000 ] - [ 0.0007491300000000, -0.0022868000000000, -0.0007668900000000 ] - [ 0.0009087900000000, -0.0043600800000000, 0.0004862900000000 ] - [ -0.0075490000000000, -0.0143352500000000, -0.0086367500000000 ] - [ 0.0010071600000000, -0.0011159500000000, -0.0006145500000000 ] - [ 0.0037143500000000, -0.0044436000000000, 0.0030551700000000 ] - [ 0.0003706200000000, -0.0007213100000000, -0.0002690400000000 ] - [ 0.0101239200000000, 0.0156217800000000, -0.0578122300000000 ] - [ -0.0112499200000000, 0.0148645600000000, -0.0582188200000000 ] - [ -0.0028109000000000, 0.0208509400000000, -0.0606315800000000 ] - [ -0.0001471800000000, 0.0210985400000000, -0.0606841900000000 ] - [ -0.0112203900000000, 0.0003171000000000, -0.0012551600000000 ] - [ 0.0014109900000000, -0.0030161500000000, 0.0051889100000000 ] - [ 0.0010884400000000, -0.0065920000000000, 0.0041831300000000 ] - [ 0.0010186900000000, -0.0045484500000000, 0.0046785300000000 ] - [ -0.0017024200000000, -0.0011532100000000, 0.0040873600000000 ] - [ 0.0102783400000000, 0.0035969700000000, -0.0007103700000000 ] - [ -0.0011714100000000, -0.0026650600000000, 0.0036667000000000 ] - [ -0.0008979800000000, -0.0042635900000000, 0.0035559300000000 ] - [ -0.0063323200000000, 0.0008638200000000, -0.0019382800000000 ] - [ -0.0000553700000000, 0.0009131200000000, -0.0105945100000000 ] - [ 0.0039160400000000, -0.0048669400000000, -0.0132484100000000 ] - [ -0.0011422100000000, 0.0002119100000000, -0.0115603300000000 ] - [ 0.0052707100000000, 0.0022686300000000, -0.0034840400000000 ] - [ -0.0001286700000000, 0.0023176400000000, -0.0106777200000000 ] - [ -0.0048149900000000, -0.0038769400000000, -0.0135250500000000 ] - [ 0.0007620800000000, 0.0018184200000000, -0.0113938700000000 ] - [ 0.0004963600000000, -0.0084968900000000, 0.0224886500000000 ] - [ -0.0003649200000000, -0.0136145300000000, 0.0277074800000000 ] - [ -0.0001598600000000, -0.0152315400000000, 0.0280910100000000 ] - [ -0.0004159800000000, -0.0141295200000000, 0.0277590000000000 ] - [ -0.0015777200000000, -0.0100965900000000, 0.0269468300000000 ] - [ -0.0003743000000000, -0.0099125000000000, 0.0269736200000000 ] - [ -0.0021222100000000, -0.0119820800000000, 0.0263541500000000 ] - [ 0.0001371500000000, -0.0117573000000000, 0.0264365100000000 ] - [ -0.0017676300000000, 0.0001615700000000, -0.0008369900000000 ] - [ -0.0015540100000000, 0.0010800300000000, -0.0005033700000000 ] - [ -0.0014761400000000, 0.0023783100000000, -0.0012201000000000 ] - [ -0.0012192100000000, 0.0019772400000000, -0.0005383300000000 ] - [ 0.0008158300000000, 0.0010893700000000, -0.0012850200000000 ] - [ 0.0010940600000000, 0.0001212800000000, -0.0016200800000000 ] - [ 0.0004799800000000, 0.0020729700000000, -0.0012463800000000 ] - [ 0.0009052400000000, 0.0025571100000000, -0.0013477400000000 ] - [ 0.0008765500000000, 0.0018268100000000, -0.0008438200000000 ] - [ 0.0005436000000000, 0.0008675000000000, -0.0002929100000000 ] - [ 0.0006391400000000, 0.0005342900000000, -0.0006426400000000 ] - [ 0.0004650100000000, 0.0006734000000000, -0.0003244100000000 ] - [ -0.0014845300000000, -0.0214579700000000, -0.0612041000000000 ] - [ -0.0013549100000000, -0.0215526600000000, -0.0612191200000000 ] - [ -0.0019939500000000, -0.0217794800000000, -0.0610646700000000 ] - [ -0.0007502000000000, -0.0218211200000000, -0.0610599600000000 ] - [ 0.0015728000000000, 0.0030435400000000, 0.0032723000000000 ] - [ 0.0011911400000000, 0.0035602900000000, 0.0043663600000000 ] - [ 0.0007838200000000, 0.0045777300000000, 0.0052181000000000 ] - [ 0.0012780300000000, 0.0040874400000000, 0.0046457800000000 ] - [ -0.0012637200000000, 0.0017416800000000, 0.0032590600000000 ] - [ -0.0014304900000000, 0.0012657200000000, 0.0021064800000000 ] - [ -0.0013718900000000, 0.0022333000000000, 0.0036327700000000 ] - [ -0.0007408600000000, 0.0026972900000000, 0.0039209200000000 ]- atom: 53 displacement: [ 0.0000055737063633, 0.0000000000000000, 0.0099999984466897 ] forces: - [ 0.0025821900000000, 0.0057298200000000, 0.0032187400000000 ] - [ 0.0006866600000000, 0.0057565100000000, 0.0032788000000000 ] - [ 0.0018060700000000, 0.0062696300000000, 0.0045303800000000 ] - [ 0.0015053700000000, 0.0064119200000000, 0.0044893200000000 ] - [ -0.0016588400000000, 0.0016047600000000, -0.0027444400000000 ] - [ -0.0015722200000000, -0.0023189500000000, -0.0044822000000000 ] - [ -0.0019124600000000, -0.0004012500000000, 0.0048321600000000 ] - [ -0.0015422500000000, -0.0017908900000000, -0.0044042400000000 ] - [ 0.0004363200000000, -0.0057595400000000, 0.0060676700000000 ] - [ 0.0029335600000000, -0.0058765700000000, 0.0062785000000000 ] - [ -0.0002911000000000, -0.0080323100000000, 0.0048236700000000 ] - [ 0.0034765300000000, -0.0076192700000000, 0.0049817500000000 ] - [ -0.0012155400000000, 0.0018035000000000, -0.0089791000000000 ] - [ -0.0015462300000000, 0.0020551200000000, -0.0053324600000000 ] - [ -0.0013541200000000, 0.0020766800000000, -0.0057478800000000 ] - [ -0.0015511300000000, 0.0020268500000000, -0.0051839200000000 ] - [ -0.0109930800000000, -0.0204053800000000, -0.0284214200000000 ] - [ -0.0091732300000000, -0.0181981400000000, -0.0258163200000000 ] - [ -0.0112877400000000, -0.0112554600000000, -0.0277388300000000 ] - [ -0.0090748800000000, -0.0175403900000000, -0.0256265900000000 ] - [ 0.0103545300000000, -0.0168320500000000, -0.0257721700000000 ] - [ 0.0088229200000000, -0.0156191500000000, -0.0239511900000000 ] - [ 0.0109265000000000, -0.0092510300000000, -0.0247262100000000 ] - [ 0.0082975500000000, -0.0150161600000000, -0.0235923700000000 ] - [ 0.0144656900000000, -0.0277352100000000, 0.0853130700000000 ] - [ 0.0207518600000000, -0.0264809400000000, 0.0688760700000000 ] - [ 0.0204372100000000, -0.0263907300000000, 0.0693078700000000 ] - [ 0.0197467500000000, -0.0262379900000000, 0.0676528600000000 ] - [ -0.0186561500000000, -0.0231293500000000, 0.0832809800000000 ] - [ -0.0233705100000000, -0.0231606400000000, 0.0700965400000000 ] - [ -0.0225601500000000, -0.0233186800000000, 0.0705308900000000 ] - [ -0.0221556500000000, -0.0229307000000000, 0.0689899000000000 ] - [ -0.0047493500000000, 0.0175224300000000, -0.0315775400000000 ] - [ -0.0111821500000000, 0.0176607000000000, -0.0254300600000000 ] - [ -0.0092349300000000, 0.0168130600000000, -0.0263536400000000 ] - [ -0.0101869500000000, 0.0175062200000000, -0.0256053300000000 ] - [ 0.0051922500000000, 0.0154826800000000, -0.0300880300000000 ] - [ 0.0109480400000000, 0.0150463400000000, -0.0235581500000000 ] - [ 0.0090628900000000, 0.0143212200000000, -0.0244883800000000 ] - [ 0.0097363900000000, 0.0150348300000000, -0.0236940300000000 ] - [ -0.0225790300000000, 0.0242229600000000, 0.0661217700000000 ] - [ -0.0223305100000000, 0.0233222600000000, 0.0675537900000000 ] - [ -0.0221882600000000, 0.0228054100000000, 0.0660502100000000 ] - [ -0.0222511700000000, 0.0230246800000000, 0.0674978200000000 ] - [ 0.0204246400000000, 0.0269119100000000, 0.0646751400000000 ] - [ 0.0199060600000000, 0.0263785200000000, 0.0662777500000000 ] - [ 0.0199984200000000, 0.0258706100000000, 0.0642576200000000 ] - [ 0.0198171100000000, 0.0262060400000000, 0.0662098400000000 ] - [ 0.0002105600000000, 0.0018503000000000, -0.0029255400000000 ] - [ 0.0029972900000000, -0.0023877000000000, -0.0018229500000000 ] - [ 0.0035536800000000, -0.0039446500000000, -0.0052517400000000 ] - [ 0.0027612400000000, -0.0030550400000000, -0.0024584400000000 ] - [ 0.0049545800000000, 0.0195435900000000, -0.1223650700000000 ] - [ 0.0024796200000000, 0.0351764000000000, -0.0619249500000000 ] - [ 0.0025026200000000, 0.0351327300000000, -0.0614411100000000 ] - [ 0.0026417400000000, 0.0351443200000000, -0.0610205300000000 ] - [ 0.0024284000000000, 0.0011074100000000, 0.0006670900000000 ] - [ 0.0024942600000000, 0.0024563100000000, -0.0015557800000000 ] - [ 0.0025846500000000, 0.0025903800000000, -0.0014310600000000 ] - [ 0.0026228300000000, 0.0026828500000000, -0.0018255400000000 ] - [ 0.0022497100000000, -0.0354355400000000, -0.0604043000000000 ] - [ 0.0025442300000000, -0.0352097700000000, -0.0607178100000000 ] - [ 0.0024192200000000, -0.0351881300000000, -0.0601050400000000 ] - [ 0.0025877900000000, -0.0351686600000000, -0.0607086500000000 ] - [ -0.0004937800000000, -0.0002435700000000, -0.0103633500000000 ] - [ -0.0007963600000000, -0.0004662300000000, -0.0113359300000000 ] - [ -0.0006004000000000, -0.0013169700000000, -0.0102200100000000 ] - [ -0.0007253600000000, -0.0005607500000000, -0.0113352100000000 ] - [ 0.0001973400000000, -0.0019506900000000, -0.0103629700000000 ] - [ 0.0005909300000000, -0.0020154500000000, -0.0111468000000000 ] - [ 0.0002692600000000, -0.0025490800000000, -0.0104435100000000 ] - [ 0.0005553000000000, -0.0020912800000000, -0.0111415600000000 ] - [ -0.0002553300000000, 0.0146923600000000, 0.0282693100000000 ] - [ -0.0001788300000000, 0.0139449200000000, 0.0277252600000000 ] - [ -0.0002850200000000, 0.0111703200000000, 0.0307188700000000 ] - [ -0.0001838200000000, 0.0138697200000000, 0.0278122700000000 ] - [ -0.0016586500000000, 0.0113647000000000, 0.0269752500000000 ] - [ -0.0001545100000000, 0.0114090500000000, 0.0270152200000000 ] - [ -0.0018096500000000, 0.0106964500000000, 0.0270041500000000 ] - [ 0.0006506200000000, 0.0103851200000000, 0.0270994100000000 ] - [ -0.0106065700000000, -0.0034080800000000, 0.0029050300000000 ] - [ -0.0011057100000000, -0.0014817100000000, -0.0008559900000000 ] - [ -0.0014245300000000, -0.0004699100000000, -0.0012167500000000 ] - [ -0.0013516400000000, -0.0012509600000000, -0.0008322000000000 ] - [ 0.0005400900000000, -0.0015596400000000, -0.0014717600000000 ] - [ 0.0107804900000000, -0.0038507400000000, 0.0020657100000000 ] - [ 0.0007410100000000, -0.0012930900000000, -0.0014518200000000 ] - [ 0.0007573700000000, -0.0005814600000000, -0.0019131700000000 ] - [ 0.0031744400000000, 0.0048118200000000, -0.0003201400000000 ] - [ 0.0004435800000000, -0.0005116600000000, -0.0000497000000000 ] - [ 0.0000905400000000, -0.0018686300000000, -0.0024598900000000 ] - [ 0.0006058100000000, -0.0009319400000000, -0.0004605600000000 ] - [ -0.0057737500000000, 0.0235072500000000, -0.0598989800000000 ] - [ 0.0029818500000000, 0.0237371200000000, -0.0598865000000000 ] - [ -0.0013039800000000, 0.0220106900000000, -0.0615965000000000 ] - [ -0.0015022100000000, 0.0219283700000000, -0.0615413200000000 ] - [ 0.0142428200000000, 0.0002907500000000, 0.0082154900000000 ] - [ 0.0006495700000000, -0.0042720000000000, 0.0041439000000000 ] - [ 0.0012531600000000, -0.0038435800000000, 0.0039734100000000 ] - [ 0.0010112600000000, -0.0039952500000000, 0.0044634300000000 ] - [ -0.0006328600000000, -0.0024479100000000, 0.0030765900000000 ] - [ -0.0145619400000000, 0.0013847600000000, 0.0061610100000000 ] - [ -0.0010405900000000, -0.0021378100000000, 0.0034058100000000 ] - [ -0.0012839200000000, -0.0020140300000000, 0.0030062600000000 ] - [ -0.0072597900000000, -0.0031506600000000, -0.0067884100000000 ] - [ -0.0004369300000000, 0.0003681300000000, -0.0122270600000000 ] - [ -0.0023262500000000, 0.0025455400000000, -0.0112911800000000 ] - [ -0.0003140600000000, 0.0006516900000000, -0.0118071800000000 ] - [ 0.0063849200000000, -0.0014978100000000, -0.0069249500000000 ] - [ 0.0001275300000000, 0.0019501200000000, -0.0120355600000000 ] - [ 0.0022608700000000, 0.0043117500000000, -0.0109307700000000 ] - [ 0.0000490300000000, 0.0021811100000000, -0.0116521700000000 ] - [ -0.0003473300000000, -0.0143034400000000, 0.0342445500000000 ] - [ -0.0001481700000000, -0.0135936300000000, 0.0275058300000000 ] - [ -0.0002649700000000, -0.0136755600000000, 0.0277046300000000 ] - [ -0.0001695200000000, -0.0136531500000000, 0.0275837800000000 ] - [ 0.0014075600000000, -0.0113350400000000, 0.0272403800000000 ] - [ -0.0038608500000000, -0.0115266100000000, 0.0272971600000000 ] - [ -0.0003880000000000, -0.0108374900000000, 0.0269841400000000 ] - [ -0.0014110800000000, -0.0109570400000000, 0.0269496600000000 ] - [ -0.0013859300000000, 0.0016036200000000, -0.0001998200000000 ] - [ -0.0015557800000000, 0.0016171800000000, -0.0003510600000000 ] - [ -0.0011639000000000, 0.0027264900000000, 0.0008995400000000 ] - [ -0.0017577500000000, 0.0017260100000000, -0.0001702500000000 ] - [ 0.0009170200000000, 0.0017051900000000, -0.0009520600000000 ] - [ 0.0007636200000000, 0.0017259500000000, -0.0006454900000000 ] - [ 0.0011039300000000, 0.0017240700000000, -0.0007718700000000 ] - [ 0.0004817400000000, 0.0030513700000000, 0.0004381300000000 ] - [ 0.0007161700000000, -0.0006021600000000, 0.0019142300000000 ] - [ 0.0007756800000000, 0.0005032600000000, 0.0001629200000000 ] - [ 0.0006480600000000, 0.0005633700000000, 0.0003328800000000 ] - [ 0.0006880000000000, 0.0006599900000000, -0.0000162200000000 ] - [ -0.0010097700000000, -0.0215251700000000, -0.0603694000000000 ] - [ -0.0015183400000000, -0.0214853000000000, -0.0603711600000000 ] - [ -0.0011829800000000, -0.0215707100000000, -0.0606164900000000 ] - [ -0.0014380300000000, -0.0215232700000000, -0.0605477200000000 ] - [ 0.0012625000000000, 0.0037086100000000, 0.0055514600000000 ] - [ 0.0013541900000000, 0.0037357000000000, 0.0051186900000000 ] - [ 0.0011796800000000, 0.0033384100000000, 0.0057641900000000 ] - [ 0.0014746700000000, 0.0035782000000000, 0.0050881500000000 ] - [ -0.0012936800000000, 0.0019648400000000, 0.0040232300000000 ] - [ -0.0012887100000000, 0.0019848400000000, 0.0045843500000000 ] - [ -0.0013984500000000, 0.0017794900000000, 0.0039909300000000 ] - [ -0.0012112600000000, 0.0015824600000000, 0.0049710500000000 ]- atom: 53 displacement: [ -0.0000055737063633, 0.0000000000000000, -0.0099999984466897 ] forces: - [ 0.0008794700000000, 0.0067564300000000, 0.0065017500000000 ] - [ 0.0027483700000000, 0.0067367900000000, 0.0064458400000000 ] - [ 0.0016477000000000, 0.0062378200000000, 0.0051954400000000 ] - [ 0.0019345200000000, 0.0060985300000000, 0.0052351000000000 ] - [ -0.0013871600000000, -0.0057986900000000, -0.0070760700000000 ] - [ -0.0014707500000000, -0.0018478400000000, -0.0053301300000000 ] - [ -0.0011301900000000, -0.0040312700000000, -0.0146595800000000 ] - [ -0.0015014400000000, -0.0024020700000000, -0.0054077300000000 ] - [ 0.0030362100000000, -0.0067138800000000, 0.0036234600000000 ] - [ 0.0004954300000000, -0.0065893400000000, 0.0034043600000000 ] - [ 0.0037481500000000, -0.0044757900000000, 0.0048968900000000 ] - [ -0.0000370900000000, -0.0048950900000000, 0.0047408000000000 ] - [ -0.0018285600000000, 0.0023752900000000, -0.0008469400000000 ] - [ -0.0014996600000000, 0.0021214300000000, -0.0044774300000000 ] - [ -0.0016894100000000, 0.0021125100000000, -0.0040614700000000 ] - [ -0.0014940800000000, 0.0021573800000000, -0.0046268900000000 ] - [ -0.0083032800000000, -0.0151036000000000, -0.0225389200000000 ] - [ -0.0101165100000000, -0.0173150100000000, -0.0251554900000000 ] - [ -0.0080128500000000, -0.0242362200000000, -0.0232682800000000 ] - [ -0.0102033200000000, -0.0179917500000000, -0.0253514900000000 ] - [ 0.0083172000000000, -0.0134910100000000, -0.0212974600000000 ] - [ 0.0098502000000000, -0.0147116400000000, -0.0231383100000000 ] - [ 0.0077401400000000, -0.0210419400000000, -0.0224035600000000 ] - [ 0.0103684500000000, -0.0153394900000000, -0.0235076800000000 ] - [ 0.0245190500000000, -0.0247535700000000, 0.0485627900000000 ] - [ 0.0191987400000000, -0.0258857400000000, 0.0650766900000000 ] - [ 0.0195790100000000, -0.0259374500000000, 0.0646600900000000 ] - [ 0.0202924400000000, -0.0260974400000000, 0.0663166300000000 ] - [ -0.0250650900000000, -0.0230233600000000, 0.0531436900000000 ] - [ -0.0211293400000000, -0.0228755100000000, 0.0664681000000000 ] - [ -0.0220347300000000, -0.0226720000000000, 0.0660434400000000 ] - [ -0.0224563900000000, -0.0230723300000000, 0.0675858800000000 ] - [ -0.0145883000000000, 0.0180050700000000, -0.0194358000000000 ] - [ -0.0080989900000000, 0.0178485800000000, -0.0255775600000000 ] - [ -0.0100689900000000, 0.0187146300000000, -0.0246307100000000 ] - [ -0.0091000500000000, 0.0180188300000000, -0.0253840700000000 ] - [ 0.0135208400000000, 0.0148718000000000, -0.0170193800000000 ] - [ 0.0077220300000000, 0.0152846100000000, -0.0235728900000000 ] - [ 0.0096219700000000, 0.0160277600000000, -0.0226175200000000 ] - [ 0.0089371700000000, 0.0153110700000000, -0.0234175700000000 ] - [ -0.0220233200000000, 0.0217762200000000, 0.0704583100000000 ] - [ -0.0222805400000000, 0.0226895300000000, 0.0690222100000000 ] - [ -0.0224115900000000, 0.0232087800000000, 0.0705245400000000 ] - [ -0.0223603300000000, 0.0229822400000000, 0.0690741300000000 ] - [ 0.0195979900000000, 0.0254249100000000, 0.0692951800000000 ] - [ 0.0201321800000000, 0.0259622600000000, 0.0676903800000000 ] - [ 0.0200237200000000, 0.0264729600000000, 0.0697058300000000 ] - [ 0.0202203900000000, 0.0261334400000000, 0.0677555100000000 ] - [ 0.0051541700000000, -0.0074408900000000, -0.0012490600000000 ] - [ 0.0023660900000000, -0.0031685200000000, -0.0023262500000000 ] - [ 0.0018142500000000, -0.0016084200000000, 0.0011144800000000 ] - [ 0.0026130500000000, -0.0024834700000000, -0.0016755400000000 ] - [ 0.0002938400000000, 0.0514722600000000, 0.0007943100000000 ] - [ 0.0025864600000000, 0.0350410600000000, -0.0598178100000000 ] - [ 0.0025692200000000, 0.0350833600000000, -0.0603355500000000 ] - [ 0.0024245700000000, 0.0350731100000000, -0.0607593100000000 ] - [ 0.0029420200000000, 0.0044410200000000, -0.0048023900000000 ] - [ 0.0028783400000000, 0.0030800600000000, -0.0025692800000000 ] - [ 0.0027868600000000, 0.0029458400000000, -0.0026980600000000 ] - [ 0.0027497300000000, 0.0028554500000000, -0.0023039100000000 ] - [ 0.0028222500000000, -0.0347847500000000, -0.0613754400000000 ] - [ 0.0025223000000000, -0.0350120800000000, -0.0610611100000000 ] - [ 0.0026504500000000, -0.0350368300000000, -0.0616728000000000 ] - [ 0.0024790700000000, -0.0350514000000000, -0.0610698600000000 ] - [ -0.0008190300000000, -0.0006988500000000, -0.0128928500000000 ] - [ -0.0005233000000000, -0.0004799200000000, -0.0119199000000000 ] - [ -0.0007156300000000, 0.0003597300000000, -0.0130236800000000 ] - [ -0.0005947300000000, -0.0003877600000000, -0.0119180300000000 ] - [ 0.0005998400000000, -0.0020626400000000, -0.0125711600000000 ] - [ 0.0002111900000000, -0.0020037100000000, -0.0117862300000000 ] - [ 0.0005314800000000, -0.0014810700000000, -0.0124759700000000 ] - [ 0.0002478100000000, -0.0019296400000000, -0.0117885700000000 ] - [ -0.0002496500000000, 0.0128945800000000, 0.0270053900000000 ] - [ -0.0003266100000000, 0.0136486400000000, 0.0275568000000000 ] - [ -0.0002092500000000, 0.0164006300000000, 0.0246126300000000 ] - [ -0.0003206600000000, 0.0137313000000000, 0.0274739200000000 ] - [ -0.0001797700000000, 0.0111802900000000, 0.0265487200000000 ] - [ -0.0016752600000000, 0.0111331000000000, 0.0265098500000000 ] - [ -0.0000497700000000, 0.0118416500000000, 0.0265297000000000 ] - [ -0.0024628600000000, 0.0121518900000000, 0.0264344100000000 ] - [ 0.0075961000000000, 0.0002977000000000, -0.0039655500000000 ] - [ -0.0017652200000000, -0.0015608000000000, -0.0002930600000000 ] - [ -0.0014470500000000, -0.0025960100000000, 0.0000915000000000 ] - [ -0.0015169300000000, -0.0018137600000000, -0.0002957400000000 ] - [ 0.0010427800000000, -0.0015639000000000, -0.0009315100000000 ] - [ -0.0090624800000000, 0.0006850800000000, -0.0044082900000000 ] - [ 0.0008433200000000, -0.0018479700000000, -0.0009323300000000 ] - [ 0.0008305000000000, -0.0025602700000000, -0.0004682100000000 ] - [ -0.0019204400000000, -0.0063079100000000, -0.0001384000000000 ] - [ 0.0007904600000000, -0.0009687900000000, -0.0003868900000000 ] - [ 0.0011451700000000, 0.0003857800000000, 0.0020336100000000 ] - [ 0.0006221200000000, -0.0005390000000000, 0.0000327500000000 ] - [ 0.0033185500000000, 0.0197590200000000, -0.0619505900000000 ] - [ -0.0059906300000000, 0.0194971200000000, -0.0619658400000000 ] - [ -0.0014102300000000, 0.0213231400000000, -0.0603721200000000 ] - [ -0.0011951600000000, 0.0214071300000000, -0.0604281000000000 ] - [ -0.0118899000000000, -0.0079658400000000, 0.0013072800000000 ] - [ 0.0017929600000000, -0.0033612700000000, 0.0053481400000000 ] - [ 0.0011850000000000, -0.0038109400000000, 0.0055061900000000 ] - [ 0.0014321000000000, -0.0036585900000000, 0.0050175800000000 ] - [ -0.0018479300000000, -0.0015468900000000, 0.0042687000000000 ] - [ 0.0121728300000000, -0.0054061500000000, 0.0012265300000000 ] - [ -0.0014399800000000, -0.0018737300000000, 0.0039299600000000 ] - [ -0.0011887600000000, -0.0019994600000000, 0.0043271900000000 ] - [ 0.0060474600000000, 0.0041533200000000, -0.0165138500000000 ] - [ -0.0008686300000000, 0.0005826500000000, -0.0110010200000000 ] - [ 0.0010212800000000, -0.0016036600000000, -0.0119692800000000 ] - [ -0.0010065500000000, 0.0002983900000000, -0.0114446200000000 ] - [ -0.0056845000000000, 0.0055729200000000, -0.0160684000000000 ] - [ 0.0006606600000000, 0.0020731300000000, -0.0108684900000000 ] - [ -0.0014733400000000, -0.0002977800000000, -0.0120066600000000 ] - [ 0.0007536000000000, 0.0018419500000000, -0.0112756200000000 ] - [ -0.0001458100000000, -0.0132969300000000, 0.0209179500000000 ] - [ -0.0003551500000000, -0.0140035500000000, 0.0277840800000000 ] - [ -0.0002352200000000, -0.0139226500000000, 0.0275802300000000 ] - [ -0.0003340300000000, -0.0139480400000000, 0.0277047200000000 ] - [ -0.0032684000000000, -0.0112092800000000, 0.0262940700000000 ] - [ 0.0020487400000000, -0.0110145000000000, 0.0262405000000000 ] - [ -0.0014578300000000, -0.0117085400000000, 0.0265467600000000 ] - [ -0.0004183300000000, -0.0115875800000000, 0.0265817900000000 ] - [ -0.0014881200000000, 0.0014548900000000, -0.0009272600000000 ] - [ -0.0013153000000000, 0.0014398300000000, -0.0007761500000000 ] - [ -0.0017108600000000, 0.0003291200000000, -0.0020269700000000 ] - [ -0.0011103100000000, 0.0013385100000000, -0.0009546600000000 ] - [ 0.0006685100000000, 0.0014301600000000, -0.0014314500000000 ] - [ 0.0008267900000000, 0.0014095100000000, -0.0017365700000000 ] - [ 0.0004792900000000, 0.0014189900000000, -0.0016088000000000 ] - [ 0.0011089500000000, 0.0000849200000000, -0.0028170800000000 ] - [ 0.0005173800000000, 0.0020776600000000, -0.0023384300000000 ] - [ 0.0004539700000000, 0.0009658300000000, -0.0005832400000000 ] - [ 0.0005841300000000, 0.0009051900000000, -0.0007557400000000 ] - [ 0.0005418300000000, 0.0008102200000000, -0.0004076700000000 ] - [ -0.0017031400000000, -0.0218094500000000, -0.0615987400000000 ] - [ -0.0011807600000000, -0.0218509900000000, -0.0615973500000000 ] - [ -0.0015303900000000, -0.0217676200000000, -0.0613515400000000 ] - [ -0.0012596600000000, -0.0218151600000000, -0.0614202000000000 ] - [ 0.0011807400000000, 0.0039390500000000, 0.0039245600000000 ] - [ 0.0010911700000000, 0.0039093700000000, 0.0043587600000000 ] - [ 0.0012606300000000, 0.0043090300000000, 0.0037219400000000 ] - [ 0.0009713200000000, 0.0040708000000000, 0.0043916300000000 ] - [ -0.0011876400000000, 0.0020402600000000, 0.0033093800000000 ] - [ -0.0011883200000000, 0.0020218800000000, 0.0027464300000000 ] - [ -0.0010840800000000, 0.0022274800000000, 0.0033441600000000 ] - [ -0.0012632100000000, 0.0024261100000000, 0.0023684900000000 ]- atom: 65 displacement: [ 0.0099999993466229, 0.0000000000000000, -0.0000036149054082 ] forces: - [ -0.0009704800000000, 0.0059563500000000, 0.0044826800000000 ] - [ 0.0130448600000000, 0.0102468800000000, 0.0039474400000000 ] - [ 0.0002273200000000, 0.0064734800000000, 0.0047898400000000 ] - [ 0.0023616000000000, 0.0043675300000000, 0.0045046600000000 ] - [ -0.0006092500000000, -0.0018483300000000, -0.0050379900000000 ] - [ -0.0024025400000000, -0.0024151400000000, -0.0045643400000000 ] - [ -0.0009217000000000, -0.0021377300000000, -0.0048303600000000 ] - [ -0.0021276600000000, -0.0020263400000000, -0.0047957500000000 ] - [ 0.0004817000000000, -0.0062861000000000, 0.0051364800000000 ] - [ 0.0028702500000000, -0.0062758300000000, 0.0047497000000000 ] - [ 0.0007403900000000, -0.0063891800000000, 0.0050091100000000 ] - [ 0.0026900100000000, -0.0061309100000000, 0.0050122200000000 ] - [ 0.0054033300000000, 0.0027945600000000, -0.0060187700000000 ] - [ -0.0036333800000000, 0.0027465400000000, -0.0052266700000000 ] - [ 0.0001200300000000, 0.0041345700000000, -0.0046018000000000 ] - [ -0.0024220700000000, 0.0014313200000000, -0.0050417800000000 ] - [ 0.0143806800000000, -0.0078402300000000, -0.0344588700000000 ] - [ -0.0132230700000000, -0.0170592200000000, -0.0253113000000000 ] - [ -0.0056554800000000, -0.0178147200000000, -0.0261607900000000 ] - [ -0.0116853500000000, -0.0174165400000000, -0.0255817600000000 ] - [ 0.0037217900000000, -0.0142038800000000, -0.0271589800000000 ] - [ 0.0012889000000000, -0.0186495500000000, -0.0220812000000000 ] - [ 0.0081564500000000, -0.0163339100000000, -0.0252197100000000 ] - [ 0.0089070500000000, -0.0131848100000000, -0.0225252000000000 ] - [ 0.0230726000000000, -0.0258483000000000, 0.0678147600000000 ] - [ 0.0177765600000000, -0.0264515700000000, 0.0669930800000000 ] - [ 0.0224836900000000, -0.0265798100000000, 0.0681995300000000 ] - [ 0.0182925700000000, -0.0264647600000000, 0.0669636000000000 ] - [ -0.0225402200000000, -0.0240936600000000, 0.0674001300000000 ] - [ -0.0229024700000000, -0.0220704600000000, 0.0703609200000000 ] - [ -0.0220256100000000, -0.0227777900000000, 0.0672932900000000 ] - [ -0.0227603900000000, -0.0235411700000000, 0.0697301300000000 ] - [ -0.0070581300000000, 0.0179883100000000, -0.0243093000000000 ] - [ -0.0117194600000000, 0.0175375400000000, -0.0255680400000000 ] - [ -0.0075308600000000, 0.0177057100000000, -0.0251984200000000 ] - [ -0.0113421500000000, 0.0173405000000000, -0.0255952300000000 ] - [ 0.0085201000000000, 0.0142100300000000, -0.0211616200000000 ] - [ 0.0097219400000000, 0.0158856500000000, -0.0247569000000000 ] - [ 0.0088835200000000, 0.0160732700000000, -0.0221012900000000 ] - [ 0.0094288300000000, 0.0142834800000000, -0.0241779600000000 ] - [ -0.0276583700000000, 0.0235368400000000, 0.0704086700000000 ] - [ -0.0298695900000000, 0.0204918700000000, 0.0656656400000000 ] - [ -0.0238218600000000, 0.0213723800000000, 0.0691433900000000 ] - [ -0.0224592600000000, 0.0249680800000000, 0.0667822900000000 ] - [ 0.0445403300000000, 0.0279800200000000, 0.0683288300000000 ] - [ 0.0158590300000000, 0.0269053000000000, 0.0669924400000000 ] - [ 0.0244080300000000, 0.0258406500000000, 0.0660942100000000 ] - [ 0.0176235100000000, 0.0265228900000000, 0.0670621400000000 ] - [ 0.0028125100000000, -0.0018028300000000, -0.0004396200000000 ] - [ 0.0036632400000000, -0.0038584200000000, -0.0039494300000000 ] - [ 0.0026459000000000, -0.0023463700000000, -0.0013974400000000 ] - [ 0.0028708100000000, -0.0030950700000000, -0.0026148400000000 ] - [ 0.0008257500000000, 0.0351144600000000, -0.0607282300000000 ] - [ 0.0042934600000000, 0.0350489300000000, -0.0610289900000000 ] - [ 0.0009546000000000, 0.0348429400000000, -0.0608295200000000 ] - [ 0.0037833600000000, 0.0352775100000000, -0.0609566200000000 ] - [ 0.0047224800000000, 0.0023132400000000, -0.0053977100000000 ] - [ 0.0033580300000000, 0.0016318000000000, -0.0006962600000000 ] - [ 0.0030345100000000, 0.0031737400000000, -0.0026385500000000 ] - [ 0.0027821400000000, 0.0024618200000000, -0.0018471400000000 ] - [ 0.0036351000000000, -0.0407699900000000, -0.0675199600000000 ] - [ 0.0066961100000000, -0.0345037600000000, -0.0606750200000000 ] - [ 0.0005461700000000, -0.0305960100000000, -0.0625510600000000 ] - [ 0.0040969900000000, -0.0355894800000000, -0.0605428700000000 ] - [ -0.0871874600000000, -0.0212935000000000, 0.0011186000000000 ] - [ 0.0003078700000000, -0.0005092100000000, -0.0117745000000000 ] - [ -0.0016349700000000, -0.0004836200000000, -0.0112488600000000 ] - [ -0.0000450900000000, -0.0003846700000000, -0.0117007300000000 ] - [ 0.0039275700000000, -0.0042031100000000, -0.0109244200000000 ] - [ 0.0036376200000000, -0.0006585400000000, -0.0107823500000000 ] - [ 0.0007394500000000, -0.0018171600000000, -0.0112597700000000 ] - [ 0.0004429700000000, -0.0023906500000000, -0.0113647800000000 ] - [ 0.0027319200000000, 0.0057333500000000, 0.0320430100000000 ] - [ 0.0028276600000000, 0.0143579000000000, 0.0277364600000000 ] - [ -0.0015228900000000, 0.0160885100000000, 0.0294477200000000 ] - [ 0.0009145700000000, 0.0134597000000000, 0.0274369700000000 ] - [ 0.0018276000000000, 0.0109874100000000, 0.0269797200000000 ] - [ 0.0140476000000000, 0.0213846500000000, 0.0159699400000000 ] - [ 0.0005459000000000, 0.0112726500000000, 0.0269131100000000 ] - [ -0.0024738900000000, 0.0112828800000000, 0.0267375100000000 ] - [ -0.0012117400000000, -0.0014000100000000, -0.0000803500000000 ] - [ -0.0000153000000000, -0.0028231300000000, -0.0030763800000000 ] - [ -0.0006754700000000, -0.0029398500000000, 0.0004281800000000 ] - [ -0.0007371700000000, 0.0005159500000000, -0.0017039700000000 ] - [ 0.0013154900000000, -0.0015674600000000, -0.0008103100000000 ] - [ -0.0014151500000000, -0.0028367600000000, -0.0028411700000000 ] - [ 0.0013657800000000, -0.0015224500000000, -0.0010200200000000 ] - [ 0.0023198500000000, 0.0003419100000000, -0.0020074700000000 ] - [ -0.0018882700000000, -0.0024069300000000, -0.0007373600000000 ] - [ 0.0011018400000000, -0.0008011500000000, -0.0001262100000000 ] - [ 0.0001548700000000, -0.0006544000000000, -0.0002218000000000 ] - [ 0.0009494600000000, -0.0007205100000000, -0.0000510900000000 ] - [ -0.0000596500000000, 0.0219303200000000, -0.0610063200000000 ] - [ -0.0026717500000000, 0.0214061300000000, -0.0614057600000000 ] - [ -0.0003368200000000, 0.0217711700000000, -0.0609536500000000 ] - [ -0.0022288300000000, 0.0217272000000000, -0.0611867900000000 ] - [ 0.0014033600000000, -0.0034790600000000, 0.0045163600000000 ] - [ 0.0011006100000000, -0.0042688800000000, 0.0045308200000000 ] - [ 0.0012977400000000, -0.0038717200000000, 0.0046244000000000 ] - [ 0.0011779200000000, -0.0037338500000000, 0.0046127000000000 ] - [ -0.0007029300000000, -0.0021491600000000, 0.0034790300000000 ] - [ -0.0017925600000000, -0.0020243300000000, 0.0032427200000000 ] - [ -0.0007391900000000, -0.0021076300000000, 0.0035521900000000 ] - [ -0.0017812800000000, -0.0019044500000000, 0.0035066800000000 ] - [ -0.0011889300000000, 0.0003966400000000, -0.0119366300000000 ] - [ -0.0001460700000000, 0.0004194600000000, -0.0117605100000000 ] - [ -0.0011187300000000, 0.0004553300000000, -0.0117328800000000 ] - [ -0.0002313000000000, 0.0004722700000000, -0.0117142300000000 ] - [ 0.0004657300000000, 0.0018022800000000, -0.0118561500000000 ] - [ 0.0003558600000000, 0.0020588600000000, -0.0116083700000000 ] - [ 0.0004816100000000, 0.0017862300000000, -0.0117302700000000 ] - [ 0.0003601200000000, 0.0021989100000000, -0.0114750800000000 ] - [ -0.0013590600000000, -0.0137396400000000, 0.0273837800000000 ] - [ 0.0007698300000000, -0.0138088700000000, 0.0276761800000000 ] - [ -0.0012494600000000, -0.0139840900000000, 0.0273203700000000 ] - [ 0.0005653200000000, -0.0135298700000000, 0.0276393600000000 ] - [ 0.0007943900000000, -0.0111411400000000, 0.0265977000000000 ] - [ -0.0025452300000000, -0.0115726600000000, 0.0268594100000000 ] - [ 0.0004019600000000, -0.0112697300000000, 0.0266587900000000 ] - [ -0.0021088300000000, -0.0112237300000000, 0.0267818700000000 ] - [ -0.0003657700000000, 0.0004400300000000, -0.0024219700000000 ] - [ -0.0010425300000000, 0.0027838900000000, 0.0008020900000000 ] - [ -0.0010807100000000, 0.0017438400000000, -0.0008697900000000 ] - [ -0.0016279000000000, 0.0012933600000000, -0.0003667400000000 ] - [ 0.0014207600000000, 0.0016376400000000, -0.0007720700000000 ] - [ 0.0002726200000000, 0.0019124300000000, -0.0011387000000000 ] - [ 0.0012161300000000, 0.0015500300000000, -0.0010394500000000 ] - [ 0.0002503000000000, 0.0014524200000000, -0.0015787600000000 ] - [ -0.0026189800000000, 0.0001768800000000, -0.0026730400000000 ] - [ 0.0012120400000000, 0.0005692300000000, 0.0001567900000000 ] - [ -0.0001293800000000, 0.0011441700000000, -0.0006519000000000 ] - [ 0.0010318800000000, 0.0008142800000000, -0.0000332600000000 ] - [ 0.0017209000000000, -0.0218688400000000, -0.0612529100000000 ] - [ 0.0116052800000000, -0.0155654500000000, -0.0478947800000000 ] - [ 0.0003946300000000, -0.0215584700000000, -0.0610419000000000 ] - [ -0.0030608900000000, -0.0213131300000000, -0.0605472000000000 ] - [ 0.0020300700000000, 0.0027838300000000, 0.0048994900000000 ] - [ 0.0019625600000000, 0.0048726400000000, 0.0049465700000000 ] - [ 0.0041453000000000, 0.0061309600000000, 0.0051760000000000 ] - [ 0.0047854600000000, -0.0012740000000000, 0.0068192300000000 ] - [ -0.0003320600000000, 0.0022261300000000, 0.0034633200000000 ] - [ -0.0055144400000000, 0.0090307900000000, 0.0061622000000000 ] - [ -0.0004078200000000, 0.0022200500000000, 0.0035010400000000 ] - [ -0.0055187900000000, -0.0000868200000000, 0.0050923800000000 ]- atom: 65 displacement: [ -0.0099999993466229, 0.0000000000000000, 0.0000036149054082 ] forces: - [ 0.0044287900000000, 0.0065413500000000, 0.0052525300000000 ] - [ -0.0088598400000000, 0.0018107300000000, 0.0057263600000000 ] - [ 0.0032165600000000, 0.0060285700000000, 0.0049432500000000 ] - [ 0.0011320400000000, 0.0081649400000000, 0.0052365800000000 ] - [ -0.0024645800000000, -0.0023328400000000, -0.0047850600000000 ] - [ -0.0006434700000000, -0.0017678900000000, -0.0052502900000000 ] - [ -0.0021321600000000, -0.0020353700000000, -0.0049814100000000 ] - [ -0.0009178400000000, -0.0021516900000000, -0.0050183000000000 ] - [ 0.0029633700000000, -0.0062138100000000, 0.0045890000000000 ] - [ 0.0006103900000000, -0.0062381200000000, 0.0049815100000000 ] - [ 0.0027047400000000, -0.0061066100000000, 0.0047141200000000 ] - [ 0.0007724400000000, -0.0063604600000000, 0.0047119800000000 ] - [ -0.0086985100000000, 0.0010628400000000, -0.0036756900000000 ] - [ 0.0005687400000000, 0.0014345800000000, -0.0045929200000000 ] - [ -0.0031989600000000, 0.0000850400000000, -0.0051964700000000 ] - [ -0.0006232400000000, 0.0027450600000000, -0.0047718800000000 ] - [ -0.0338312900000000, -0.0277601200000000, -0.0163325200000000 ] - [ -0.0060772100000000, -0.0184652200000000, -0.0256685300000000 ] - [ -0.0136463300000000, -0.0176683200000000, -0.0247951200000000 ] - [ -0.0076142900000000, -0.0180999200000000, -0.0253993600000000 ] - [ 0.0149279800000000, -0.0161761600000000, -0.0199198700000000 ] - [ 0.0173723000000000, -0.0117235900000000, -0.0250158800000000 ] - [ 0.0105250100000000, -0.0139920400000000, -0.0218694000000000 ] - [ 0.0097667500000000, -0.0171245600000000, -0.0245659900000000 ] - [ 0.0169784700000000, -0.0265558700000000, 0.0661471700000000 ] - [ 0.0222516000000000, -0.0258924200000000, 0.0669778500000000 ] - [ 0.0175144600000000, -0.0257013300000000, 0.0656778100000000 ] - [ 0.0217390100000000, -0.0258781100000000, 0.0670083100000000 ] - [ -0.0220821200000000, -0.0219125500000000, 0.0691840700000000 ] - [ -0.0216961200000000, -0.0239422800000000, 0.0662437600000000 ] - [ -0.0226162600000000, -0.0232142100000000, 0.0692933800000000 ] - [ -0.0218212400000000, -0.0224614900000000, 0.0668572700000000 ] - [ -0.0122278800000000, 0.0175013200000000, -0.0266606100000000 ] - [ -0.0075765100000000, 0.0179822300000000, -0.0254222700000000 ] - [ -0.0117819700000000, 0.0178801000000000, -0.0257797800000000 ] - [ -0.0079556200000000, 0.0181765500000000, -0.0253960600000000 ] - [ 0.0101474700000000, 0.0161376000000000, -0.0259672300000000 ] - [ 0.0089661800000000, 0.0144560800000000, -0.0223651800000000 ] - [ 0.0097748000000000, 0.0142713900000000, -0.0250222300000000 ] - [ 0.0092659800000000, 0.0160514700000000, -0.0229422800000000 ] - [ -0.0169745400000000, 0.0224305300000000, 0.0661587900000000 ] - [ -0.0147714000000000, 0.0254837400000000, 0.0708903600000000 ] - [ -0.0207767800000000, 0.0246541000000000, 0.0674277600000000 ] - [ -0.0221434900000000, 0.0210686900000000, 0.0697774900000000 ] - [ -0.0045169200000000, 0.0243166500000000, 0.0657751000000000 ] - [ 0.0241652300000000, 0.0254347800000000, 0.0669730300000000 ] - [ 0.0156075800000000, 0.0265333800000000, 0.0678584400000000 ] - [ 0.0224082700000000, 0.0258227500000000, 0.0669047700000000 ] - [ 0.0025674100000000, -0.0037339000000000, -0.0037009600000000 ] - [ 0.0017082700000000, -0.0016839600000000, -0.0001901600000000 ] - [ 0.0027289300000000, -0.0032052300000000, -0.0027477100000000 ] - [ 0.0024995600000000, -0.0024561900000000, -0.0015280500000000 ] - [ 0.0042575900000000, 0.0351110700000000, -0.0610530600000000 ] - [ 0.0007775600000000, 0.0351715100000000, -0.0607524500000000 ] - [ 0.0041541700000000, 0.0353723500000000, -0.0609444700000000 ] - [ 0.0012797500000000, 0.0349432800000000, -0.0608233300000000 ] - [ 0.0006302000000000, 0.0032449800000000, 0.0012953700000000 ] - [ 0.0020120600000000, 0.0039044100000000, -0.0034248700000000 ] - [ 0.0023398000000000, 0.0023506900000000, -0.0014883200000000 ] - [ 0.0025870500000000, 0.0030669400000000, -0.0022773800000000 ] - [ 0.0014617900000000, -0.0293905800000000, -0.0542072900000000 ] - [ -0.0016111400000000, -0.0357078100000000, -0.0611012000000000 ] - [ 0.0045328300000000, -0.0396807800000000, -0.0592041700000000 ] - [ 0.0009749200000000, -0.0346362400000000, -0.0612328700000000 ] - [ 0.0853713700000000, 0.0213029900000000, -0.0246850200000000 ] - [ -0.0016214800000000, -0.0004378800000000, -0.0114800100000000 ] - [ 0.0003208100000000, -0.0004883900000000, -0.0120080600000000 ] - [ -0.0012698800000000, -0.0005656800000000, -0.0115535700000000 ] - [ -0.0031786300000000, 0.0002277300000000, -0.0120109300000000 ] - [ -0.0028124000000000, -0.0033434500000000, -0.0121421600000000 ] - [ 0.0000616300000000, -0.0022138500000000, -0.0116710300000000 ] - [ 0.0003480000000000, -0.0016451800000000, -0.0115658600000000 ] - [ -0.0032090700000000, 0.0219277900000000, 0.0231902400000000 ] - [ -0.0033228600000000, 0.0132456600000000, 0.0275492400000000 ] - [ 0.0010260100000000, 0.0114845600000000, 0.0258161700000000 ] - [ -0.0014134200000000, 0.0141341000000000, 0.0278468100000000 ] - [ -0.0036615900000000, 0.0115607000000000, 0.0265479300000000 ] - [ -0.0157164600000000, 0.0013421800000000, 0.0373606000000000 ] - [ -0.0023808000000000, 0.0112680000000000, 0.0266173200000000 ] - [ 0.0006302400000000, 0.0112463300000000, 0.0267931200000000 ] - [ -0.0016589500000000, -0.0016587700000000, -0.0010564300000000 ] - [ -0.0028372000000000, -0.0002495100000000, 0.0019095900000000 ] - [ -0.0021924600000000, -0.0001084000000000, -0.0015654600000000 ] - [ -0.0021421700000000, -0.0035591000000000, 0.0005734700000000 ] - [ 0.0002716000000000, -0.0015700400000000, -0.0015765200000000 ] - [ 0.0029832300000000, -0.0003037700000000, 0.0004285700000000 ] - [ 0.0002214500000000, -0.0016115800000000, -0.0013686900000000 ] - [ -0.0007664300000000, -0.0037418500000000, -0.0002762600000000 ] - [ 0.0031300200000000, 0.0009888900000000, 0.0004013500000000 ] - [ 0.0001310300000000, -0.0006706900000000, -0.0002991100000000 ] - [ 0.0010799400000000, -0.0008456100000000, -0.0002192600000000 ] - [ 0.0002827600000000, -0.0007533800000000, -0.0003754800000000 ] - [ -0.0026395500000000, 0.0214077100000000, -0.0609651000000000 ] - [ -0.0000526800000000, 0.0219401200000000, -0.0605706300000000 ] - [ -0.0023607500000000, 0.0215639500000000, -0.0610174800000000 ] - [ -0.0005022800000000, 0.0216031200000000, -0.0607770700000000 ] - [ 0.0010430600000000, -0.0041727000000000, 0.0049667000000000 ] - [ 0.0013366500000000, -0.0033862900000000, 0.0049454900000000 ] - [ 0.0011520300000000, -0.0037783000000000, 0.0048570900000000 ] - [ 0.0012569900000000, -0.0039190900000000, 0.0048651100000000 ] - [ -0.0017728300000000, -0.0018608000000000, 0.0038576100000000 ] - [ -0.0006871900000000, -0.0019756600000000, 0.0040932800000000 ] - [ -0.0017371000000000, -0.0019012900000000, 0.0037846900000000 ] - [ -0.0006961800000000, -0.0021071400000000, 0.0038338500000000 ] - [ -0.0001288200000000, 0.0005615200000000, -0.0113143700000000 ] - [ -0.0011691000000000, 0.0005309400000000, -0.0114923100000000 ] - [ -0.0001971100000000, 0.0004796800000000, -0.0115175100000000 ] - [ -0.0010837500000000, 0.0004775400000000, -0.0115379600000000 ] - [ 0.0003376500000000, 0.0022251000000000, -0.0110688300000000 ] - [ 0.0004370500000000, 0.0019671700000000, -0.0113218000000000 ] - [ 0.0003218900000000, 0.0022349400000000, -0.0111948000000000 ] - [ 0.0004323400000000, 0.0018238200000000, -0.0114533400000000 ] - [ 0.0008707800000000, -0.0138573000000000, 0.0279051200000000 ] - [ -0.0012729300000000, -0.0137899800000000, 0.0276117800000000 ] - [ 0.0007670500000000, -0.0136198100000000, 0.0279693900000000 ] - [ -0.0010694400000000, -0.0140671500000000, 0.0276485400000000 ] - [ -0.0026311100000000, -0.0114021400000000, 0.0269369100000000 ] - [ 0.0006919400000000, -0.0109686300000000, 0.0266752800000000 ] - [ -0.0022328000000000, -0.0112731000000000, 0.0268745200000000 ] - [ 0.0002492000000000, -0.0113276500000000, 0.0267508100000000 ] - [ -0.0025054100000000, 0.0026260800000000, 0.0013049200000000 ] - [ -0.0018327000000000, 0.0002866600000000, -0.0019145200000000 ] - [ -0.0017913800000000, 0.0013151500000000, -0.0002549900000000 ] - [ -0.0012477700000000, 0.0017652300000000, -0.0007547200000000 ] - [ 0.0001676600000000, 0.0015024200000000, -0.0016081700000000 ] - [ 0.0012776600000000, 0.0011335600000000, -0.0013881800000000 ] - [ 0.0003712200000000, 0.0015874400000000, -0.0013435100000000 ] - [ 0.0013364000000000, 0.0016938700000000, -0.0007942100000000 ] - [ 0.0038696000000000, 0.0013570000000000, 0.0021691200000000 ] - [ 0.0000213800000000, 0.0009008000000000, -0.0005781000000000 ] - [ 0.0013655300000000, 0.0003007800000000, 0.0002422900000000 ] - [ 0.0002013600000000, 0.0006545400000000, -0.0003875000000000 ] - [ -0.0044228800000000, -0.0214661700000000, -0.0607151600000000 ] - [ -0.0141254200000000, -0.0276747300000000, -0.0738443400000000 ] - [ -0.0031020700000000, -0.0217860200000000, -0.0609296200000000 ] - [ 0.0003511500000000, -0.0220407900000000, -0.0614292400000000 ] - [ 0.0004236000000000, 0.0048733200000000, 0.0045759700000000 ] - [ 0.0004711700000000, 0.0027924000000000, 0.0045291100000000 ] - [ -0.0017261900000000, 0.0014998900000000, 0.0042989500000000 ] - [ -0.0022876000000000, 0.0088493000000000, 0.0026913700000000 ] - [ -0.0021434100000000, 0.0017836000000000, 0.0038710000000000 ] - [ 0.0029654000000000, -0.0051528400000000, 0.0011233200000000 ] - [ -0.0020692000000000, 0.0017867000000000, 0.0038343500000000 ] - [ 0.0030342000000000, 0.0040714000000000, 0.0022408900000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004185600000000, 0.0073750900000000, 0.0043990400000000 ] - [ 0.0097058800000000, 0.0123430000000000, 0.0034304400000000 ] - [ 0.0021138600000000, 0.0051535500000000, 0.0043437900000000 ] - [ -0.0030299900000000, 0.0003900200000000, 0.0037394700000000 ] - [ 0.0001297100000000, -0.0012670200000000, -0.0030287700000000 ] - [ -0.0017589600000000, -0.0019260100000000, -0.0045475800000000 ] - [ -0.0014086400000000, -0.0031776200000000, -0.0047698200000000 ] - [ -0.0015314900000000, -0.0022784200000000, -0.0048867100000000 ] - [ 0.0018290600000000, -0.0057806600000000, 0.0051845200000000 ] - [ 0.0006323000000000, -0.0046907000000000, 0.0054298100000000 ] - [ 0.0016443300000000, -0.0067337400000000, 0.0052718500000000 ] - [ 0.0016825000000000, -0.0075900300000000, 0.0054408900000000 ] - [ -0.0075838900000000, 0.0041573200000000, -0.0045079300000000 ] - [ -0.0007046600000000, 0.0026664300000000, -0.0047871900000000 ] - [ 0.0026469000000000, -0.0034478300000000, -0.0079939800000000 ] - [ -0.0018318900000000, 0.0016503300000000, -0.0052762000000000 ] - [ -0.0038209900000000, 0.0440339200000000, -0.0718046000000000 ] - [ -0.0096618300000000, -0.0174699000000000, -0.0258496100000000 ] - [ -0.0087989100000000, -0.0272390600000000, -0.0301974200000000 ] - [ -0.0098856100000000, -0.0179417400000000, -0.0259860400000000 ] - [ 0.0181738000000000, -0.0093857300000000, -0.0237206500000000 ] - [ 0.0020436100000000, -0.0145508300000000, -0.0249866400000000 ] - [ 0.0071954000000000, -0.0176316300000000, -0.0264470900000000 ] - [ 0.0106028000000000, -0.0174083700000000, -0.0249266400000000 ] - [ 0.0178269500000000, -0.0176842400000000, 0.0652304200000000 ] - [ 0.0200000500000000, -0.0257870900000000, 0.0670457100000000 ] - [ 0.0230612600000000, -0.0326279500000000, 0.0756388700000000 ] - [ 0.0200093500000000, -0.0264800600000000, 0.0670253600000000 ] - [ -0.0222258000000000, -0.0211641000000000, 0.0686098700000000 ] - [ -0.0220613700000000, -0.0207186000000000, 0.0675447200000000 ] - [ -0.0200082300000000, -0.0253511900000000, 0.0686755300000000 ] - [ -0.0241792600000000, -0.0243174000000000, 0.0690677400000000 ] - [ -0.0084847000000000, 0.0169950600000000, -0.0198712800000000 ] - [ -0.0100664700000000, 0.0178737500000000, -0.0251667400000000 ] - [ -0.0086894300000000, 0.0143775900000000, -0.0251674200000000 ] - [ -0.0096795900000000, 0.0176412600000000, -0.0250641600000000 ] - [ 0.0083280800000000, 0.0150665300000000, -0.0213635900000000 ] - [ 0.0100826300000000, 0.0153086000000000, -0.0230240600000000 ] - [ 0.0101718400000000, 0.0143567100000000, -0.0223194000000000 ] - [ 0.0083097100000000, 0.0151062100000000, -0.0227619400000000 ] - [ -0.0191667000000000, 0.0280093200000000, 0.0675013900000000 ] - [ -0.0218615500000000, 0.0251055900000000, 0.0680842300000000 ] - [ -0.0247767900000000, 0.0191073000000000, 0.0697924500000000 ] - [ -0.0214173300000000, 0.0204862500000000, 0.0696265000000000 ] - [ 0.0206404000000000, 0.0581835400000000, 0.0734473400000000 ] - [ 0.0202423700000000, 0.0265332600000000, 0.0667903100000000 ] - [ 0.0215842500000000, 0.0181426700000000, 0.0708608300000000 ] - [ 0.0195646300000000, 0.0259020100000000, 0.0671723700000000 ] - [ 0.0020504900000000, -0.0047257100000000, -0.0031886000000000 ] - [ 0.0034107900000000, -0.0040666800000000, -0.0032118400000000 ] - [ 0.0025945900000000, -0.0009147400000000, -0.0004256100000000 ] - [ 0.0026424500000000, -0.0015575600000000, -0.0010294300000000 ] - [ 0.0027838400000000, 0.0341884900000000, -0.0606629500000000 ] - [ 0.0026269200000000, 0.0348586900000000, -0.0608815300000000 ] - [ -0.0005256500000000, 0.0357877600000000, -0.0617273200000000 ] - [ 0.0030499100000000, 0.0351626700000000, -0.0609753400000000 ] - [ 0.0053485800000000, -0.0005265800000000, -0.0050595400000000 ] - [ 0.0026108600000000, 0.0021949400000000, -0.0021223400000000 ] - [ 0.0023004100000000, 0.0053458700000000, -0.0026551300000000 ] - [ 0.0026347400000000, 0.0039341100000000, -0.0026672500000000 ] - [ -0.0042954100000000, -0.0355287900000000, -0.0572479700000000 ] - [ 0.0021992200000000, -0.0355440000000000, -0.0607785200000000 ] - [ 0.0034285100000000, -0.0298020800000000, -0.0629599700000000 ] - [ 0.0022809700000000, -0.0348348400000000, -0.0610642600000000 ] - [ -0.0222421500000000, -0.1555988100000000, 0.0345555500000000 ] - [ -0.0006950500000000, -0.0008838600000000, -0.0113305600000000 ] - [ -0.0006590100000000, 0.0040511300000000, -0.0115897800000000 ] - [ -0.0005699000000000, -0.0002486600000000, -0.0115344300000000 ] - [ 0.0027559900000000, -0.0070337700000000, -0.0097116400000000 ] - [ -0.0009310800000000, -0.0054763400000000, -0.0102810500000000 ] - [ 0.0001750200000000, -0.0004225800000000, -0.0113310500000000 ] - [ 0.0009516700000000, -0.0005699400000000, -0.0113522600000000 ] - [ -0.0172783400000000, 0.0208534000000000, 0.0251870800000000 ] - [ 0.0009008400000000, 0.0139822300000000, 0.0280508700000000 ] - [ 0.0007451300000000, 0.0173687000000000, 0.0303166300000000 ] - [ -0.0004842400000000, 0.0139803800000000, 0.0278117200000000 ] - [ -0.0021509300000000, 0.0107163100000000, 0.0272337900000000 ] - [ 0.0165124900000000, 0.0069080100000000, 0.0243482100000000 ] - [ -0.0002980700000000, 0.0116306400000000, 0.0269428200000000 ] - [ -0.0022635800000000, 0.0132134300000000, 0.0268756500000000 ] - [ -0.0012112100000000, -0.0018401200000000, 0.0002171000000000 ] - [ -0.0030154100000000, -0.0007789200000000, 0.0021739000000000 ] - [ -0.0024198500000000, -0.0008752200000000, -0.0010393600000000 ] - [ 0.0000566400000000, -0.0009045600000000, -0.0014919800000000 ] - [ 0.0008605200000000, -0.0016959100000000, -0.0009803100000000 ] - [ 0.0010406800000000, 0.0018342800000000, 0.0060406000000000 ] - [ 0.0007331000000000, -0.0015030300000000, -0.0011573000000000 ] - [ 0.0045560500000000, 0.0211351500000000, -0.0093789400000000 ] - [ -0.0012882300000000, -0.0115131300000000, -0.0118148200000000 ] - [ 0.0006278700000000, -0.0009576000000000, -0.0003642100000000 ] - [ 0.0005515100000000, 0.0030449400000000, 0.0023941700000000 ] - [ 0.0006632200000000, -0.0003885700000000, 0.0001398200000000 ] - [ -0.0015512000000000, 0.0214095900000000, -0.0611208100000000 ] - [ -0.0010399200000000, 0.0204704800000000, -0.0610011500000000 ] - [ -0.0019058900000000, 0.0221277000000000, -0.0611466700000000 ] - [ 0.0001402000000000, 0.0227178200000000, -0.0618408700000000 ] - [ 0.0012309500000000, -0.0039027700000000, 0.0040448000000000 ] - [ 0.0012243200000000, -0.0038571000000000, 0.0045365200000000 ] - [ 0.0007498200000000, -0.0037815300000000, 0.0043858200000000 ] - [ 0.0015300700000000, -0.0037390700000000, 0.0045004600000000 ] - [ -0.0012055100000000, -0.0020409600000000, 0.0034524500000000 ] - [ -0.0011747700000000, -0.0020844400000000, 0.0022340600000000 ] - [ -0.0012011900000000, -0.0020136700000000, 0.0035154200000000 ] - [ -0.0011269500000000, -0.0020118200000000, 0.0023766900000000 ] - [ -0.0005761700000000, -0.0013070700000000, -0.0132047800000000 ] - [ -0.0006041400000000, 0.0002673300000000, -0.0118060800000000 ] - [ -0.0006466200000000, 0.0017390700000000, -0.0123417100000000 ] - [ -0.0006569400000000, 0.0005398600000000, -0.0118037500000000 ] - [ 0.0002539900000000, 0.0011595000000000, -0.0122550400000000 ] - [ 0.0004321600000000, 0.0015821700000000, -0.0117046800000000 ] - [ 0.0001248300000000, 0.0023244600000000, -0.0119581200000000 ] - [ 0.0006396400000000, 0.0021898800000000, -0.0117207800000000 ] - [ 0.0001871000000000, -0.0134703800000000, 0.0270278400000000 ] - [ -0.0002864800000000, -0.0137520300000000, 0.0274924000000000 ] - [ -0.0013223100000000, -0.0133320800000000, 0.0273497100000000 ] - [ -0.0001013500000000, -0.0137550700000000, 0.0275238000000000 ] - [ -0.0002145000000000, -0.0113665900000000, 0.0265159700000000 ] - [ -0.0020601800000000, -0.0116570700000000, 0.0262231200000000 ] - [ -0.0010523000000000, -0.0112080100000000, 0.0266497700000000 ] - [ 0.0001494600000000, -0.0106845300000000, 0.0267052100000000 ] - [ -0.0018727100000000, 0.0014066700000000, -0.0004101700000000 ] - [ -0.0011729300000000, 0.0012494700000000, -0.0009612800000000 ] - [ -0.0010713800000000, 0.0016106200000000, -0.0010984600000000 ] - [ -0.0015032600000000, 0.0015665300000000, -0.0009355100000000 ] - [ 0.0007495800000000, 0.0015113300000000, -0.0012770100000000 ] - [ 0.0029360300000000, 0.0068253500000000, 0.0057748300000000 ] - [ 0.0008459700000000, 0.0014900800000000, -0.0013875500000000 ] - [ 0.0004047700000000, 0.0018995900000000, -0.0024171700000000 ] - [ -0.0001962400000000, -0.0022572500000000, -0.0116660800000000 ] - [ 0.0006161100000000, 0.0005503200000000, -0.0001461900000000 ] - [ 0.0004862800000000, 0.0042296300000000, -0.0011487000000000 ] - [ 0.0006526600000000, 0.0010846800000000, -0.0004727900000000 ] - [ -0.0016906200000000, -0.0223543500000000, -0.0610848200000000 ] - [ -0.0001021400000000, -0.0281317200000000, -0.0627152100000000 ] - [ -0.0002974300000000, -0.0208574800000000, -0.0608510100000000 ] - [ -0.0026488400000000, -0.0193782300000000, -0.0603717300000000 ] - [ -0.0001610900000000, 0.0032628200000000, 0.0056190400000000 ] - [ 0.0024780100000000, 0.0028941000000000, 0.0056763300000000 ] - [ 0.0055983500000000, 0.0070221000000000, 0.0055012700000000 ] - [ -0.0020542900000000, 0.0081902300000000, 0.0031649000000000 ] - [ -0.0012200300000000, 0.0019713800000000, 0.0039537800000000 ] - [ 0.0056110500000000, 0.0326676800000000, 0.0155387300000000 ] - [ -0.0011571300000000, 0.0020492600000000, 0.0037810900000000 ] - [ -0.0019379100000000, 0.0136189900000000, 0.0021335100000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0030378300000000, 0.0051075000000000, 0.0053222000000000 ] - [ -0.0060160500000000, -0.0000830400000000, 0.0062639800000000 ] - [ 0.0013407200000000, 0.0073528300000000, 0.0053829000000000 ] - [ 0.0064421900000000, 0.0121044200000000, 0.0059921000000000 ] - [ -0.0031805900000000, -0.0029119800000000, -0.0067580700000000 ] - [ -0.0012937100000000, -0.0022526300000000, -0.0052535300000000 ] - [ -0.0016425200000000, -0.0010017600000000, -0.0050236300000000 ] - [ -0.0015205400000000, -0.0019021100000000, -0.0049134300000000 ] - [ 0.0016227100000000, -0.0067199700000000, 0.0045455400000000 ] - [ 0.0028222800000000, -0.0078165800000000, 0.0043158800000000 ] - [ 0.0018080100000000, -0.0057666700000000, 0.0044519300000000 ] - [ 0.0017618400000000, -0.0049118000000000, 0.0042859400000000 ] - [ 0.0042035700000000, -0.0003466100000000, -0.0051286500000000 ] - [ -0.0023487400000000, 0.0015035400000000, -0.0050209300000000 ] - [ -0.0056697000000000, 0.0076685200000000, -0.0018355600000000 ] - [ -0.0012212500000000, 0.0025387600000000, -0.0045306600000000 ] - [ -0.0148421200000000, -0.0766741200000000, 0.0173949800000000 ] - [ -0.0096291200000000, -0.0180536900000000, -0.0251444200000000 ] - [ -0.0105115600000000, -0.0082550300000000, -0.0207435900000000 ] - [ -0.0094085400000000, -0.0175828600000000, -0.0250016600000000 ] - [ 0.0005427300000000, -0.0209421400000000, -0.0234083200000000 ] - [ 0.0166530000000000, -0.0157978500000000, -0.0221378000000000 ] - [ 0.0115127200000000, -0.0127154500000000, -0.0206559200000000 ] - [ 0.0080675900000000, -0.0129523400000000, -0.0221880200000000 ] - [ 0.0221893700000000, -0.0346456700000000, 0.0687774300000000 ] - [ 0.0200269700000000, -0.0265603200000000, 0.0669265600000000 ] - [ 0.0169590400000000, -0.0197124400000000, 0.0583647500000000 ] - [ 0.0200164900000000, -0.0258623500000000, 0.0669454000000000 ] - [ -0.0223603400000000, -0.0248363600000000, 0.0679773100000000 ] - [ -0.0225404100000000, -0.0252822400000000, 0.0690409800000000 ] - [ -0.0245809600000000, -0.0206391300000000, 0.0679115600000000 ] - [ -0.0204201500000000, -0.0216727300000000, 0.0675150100000000 ] - [ -0.0108090600000000, 0.0184840600000000, -0.0310761900000000 ] - [ -0.0092269800000000, 0.0176444900000000, -0.0258160300000000 ] - [ -0.0106231900000000, 0.0212092900000000, -0.0258059900000000 ] - [ -0.0096186400000000, 0.0178878800000000, -0.0259186300000000 ] - [ 0.0103534500000000, 0.0152840700000000, -0.0257513000000000 ] - [ 0.0086044300000000, 0.0150357200000000, -0.0240798400000000 ] - [ 0.0085103000000000, 0.0160207700000000, -0.0247907900000000 ] - [ 0.0103810200000000, 0.0152622800000000, -0.0243486200000000 ] - [ -0.0255223800000000, 0.0179477600000000, 0.0690923600000000 ] - [ -0.0226493200000000, 0.0209142700000000, 0.0684967400000000 ] - [ -0.0197979700000000, 0.0269080400000000, 0.0667723000000000 ] - [ -0.0231937900000000, 0.0255036400000000, 0.0669463600000000 ] - [ 0.0195315600000000, -0.0054530100000000, 0.0617058200000000 ] - [ 0.0197888200000000, 0.0258108600000000, 0.0671783100000000 ] - [ 0.0184435500000000, 0.0342364000000000, 0.0630563000000000 ] - [ 0.0204637400000000, 0.0264415700000000, 0.0667948700000000 ] - [ 0.0033186700000000, -0.0008202100000000, -0.0009417600000000 ] - [ 0.0019598400000000, -0.0014728000000000, -0.0009133900000000 ] - [ 0.0027744500000000, -0.0046332300000000, -0.0037101300000000 ] - [ 0.0027304100000000, -0.0039881000000000, -0.0031038400000000 ] - [ 0.0022761600000000, 0.0360311200000000, -0.0611179300000000 ] - [ 0.0024415800000000, 0.0353631000000000, -0.0608954800000000 ] - [ 0.0055926000000000, 0.0344319500000000, -0.0600540200000000 ] - [ 0.0020191000000000, 0.0350577100000000, -0.0608018300000000 ] - [ 0.0000087900000000, 0.0061063900000000, 0.0009429300000000 ] - [ 0.0027518400000000, 0.0033616100000000, -0.0020150400000000 ] - [ 0.0030690400000000, 0.0001771900000000, -0.0014639200000000 ] - [ 0.0027373300000000, 0.0016022300000000, -0.0014572500000000 ] - [ 0.0094500700000000, -0.0347611100000000, -0.0645591400000000 ] - [ 0.0028414900000000, -0.0346887100000000, -0.0609939400000000 ] - [ 0.0016201200000000, -0.0404391900000000, -0.0588096300000000 ] - [ 0.0027885500000000, -0.0353863500000000, -0.0607118200000000 ] - [ 0.0203405500000000, 0.1517280500000000, -0.0556464700000000 ] - [ -0.0006224900000000, -0.0000630500000000, -0.0119202200000000 ] - [ -0.0006623000000000, -0.0050103500000000, -0.0116640100000000 ] - [ -0.0007489500000000, -0.0007022600000000, -0.0117190700000000 ] - [ -0.0019584400000000, 0.0030193100000000, -0.0132155500000000 ] - [ 0.0017317400000000, 0.0014662300000000, -0.0126439600000000 ] - [ 0.0006215200000000, -0.0036057300000000, -0.0116004400000000 ] - [ -0.0001440000000000, -0.0034497000000000, -0.0115769800000000 ] - [ 0.0166038700000000, 0.0067870100000000, 0.0300696800000000 ] - [ -0.0014080300000000, 0.0136119100000000, 0.0272339100000000 ] - [ -0.0012560700000000, 0.0102078800000000, 0.0249491500000000 ] - [ -0.0000157900000000, 0.0136180600000000, 0.0274733500000000 ] - [ 0.0003063200000000, 0.0118267100000000, 0.0262985300000000 ] - [ -0.0183339300000000, 0.0155409800000000, 0.0292243100000000 ] - [ -0.0015464200000000, 0.0109107800000000, 0.0265863300000000 ] - [ 0.0004459800000000, 0.0093301700000000, 0.0266507300000000 ] - [ -0.0016623500000000, -0.0012140800000000, -0.0013489400000000 ] - [ 0.0001474100000000, -0.0022789200000000, -0.0033065300000000 ] - [ -0.0004547800000000, -0.0021811200000000, -0.0000892400000000 ] - [ -0.0029236500000000, -0.0021637800000000, 0.0003626500000000 ] - [ 0.0007223900000000, -0.0014394000000000, -0.0014084200000000 ] - [ 0.0005600200000000, -0.0049890100000000, -0.0084745100000000 ] - [ 0.0008493200000000, -0.0016365900000000, -0.0012285300000000 ] - [ -0.0029611200000000, -0.0241909900000000, 0.0070107300000000 ] - [ 0.0024890300000000, 0.0099193800000000, 0.0113225000000000 ] - [ 0.0006022600000000, -0.0005130500000000, -0.0000560600000000 ] - [ 0.0006777300000000, -0.0045268500000000, -0.0028317100000000 ] - [ 0.0005664100000000, -0.0010845800000000, -0.0005628600000000 ] - [ -0.0011590600000000, 0.0219317700000000, -0.0608515400000000 ] - [ -0.0016547800000000, 0.0228720800000000, -0.0609755600000000 ] - [ -0.0008048300000000, 0.0212114100000000, -0.0608254800000000 ] - [ -0.0028407300000000, 0.0206206900000000, -0.0601309700000000 ] - [ 0.0012106100000000, -0.0037491900000000, 0.0054316000000000 ] - [ 0.0012196600000000, -0.0037923600000000, 0.0049400000000000 ] - [ 0.0016917200000000, -0.0038738100000000, 0.0050893600000000 ] - [ 0.0009118500000000, -0.0039155400000000, 0.0049767600000000 ] - [ -0.0012741800000000, -0.0019664800000000, 0.0038831800000000 ] - [ -0.0013026800000000, -0.0019247700000000, 0.0050811100000000 ] - [ -0.0012776400000000, -0.0019965400000000, 0.0038197700000000 ] - [ -0.0013471800000000, -0.0020071600000000, 0.0049380400000000 ] - [ -0.0007382200000000, 0.0022566000000000, -0.0100637000000000 ] - [ -0.0007135900000000, 0.0006807200000000, -0.0114494300000000 ] - [ -0.0006685300000000, -0.0007989300000000, -0.0109260600000000 ] - [ -0.0006603800000000, 0.0004054200000000, -0.0114528700000000 ] - [ 0.0005440600000000, 0.0028635200000000, -0.0106788400000000 ] - [ 0.0003658100000000, 0.0024394000000000, -0.0112314400000000 ] - [ 0.0006730600000000, 0.0016931700000000, -0.0109793500000000 ] - [ 0.0001591500000000, 0.0018285600000000, -0.0112149300000000 ] - [ -0.0006818700000000, -0.0141204600000000, 0.0282518100000000 ] - [ -0.0002198600000000, -0.0138431100000000, 0.0277888200000000 ] - [ 0.0008276100000000, -0.0142735100000000, 0.0279270300000000 ] - [ -0.0004024600000000, -0.0138441900000000, 0.0277575400000000 ] - [ -0.0016237300000000, -0.0111772200000000, 0.0270126400000000 ] - [ 0.0002235200000000, -0.0108826900000000, 0.0273019400000000 ] - [ -0.0007841600000000, -0.0113385900000000, 0.0268791700000000 ] - [ -0.0019877100000000, -0.0118674200000000, 0.0268225600000000 ] - [ -0.0009861600000000, 0.0016404000000000, -0.0007372700000000 ] - [ -0.0017051600000000, 0.0017943100000000, -0.0001782300000000 ] - [ -0.0018012700000000, 0.0014506500000000, -0.0000242700000000 ] - [ -0.0013656900000000, 0.0014970400000000, -0.0001895000000000 ] - [ 0.0008349600000000, 0.0016203500000000, -0.0011149600000000 ] - [ -0.0013732600000000, -0.0037187600000000, -0.0082542300000000 ] - [ 0.0007373100000000, 0.0016484900000000, -0.0009968200000000 ] - [ 0.0011828800000000, 0.0012511200000000, 0.0000491400000000 ] - [ 0.0014347700000000, 0.0038038300000000, 0.0111883700000000 ] - [ 0.0006136900000000, 0.0009252700000000, -0.0002784700000000 ] - [ 0.0007439200000000, -0.0027805000000000, 0.0007467700000000 ] - [ 0.0005772300000000, 0.0003834200000000, 0.0000523400000000 ] - [ -0.0010017400000000, -0.0209805700000000, -0.0608820200000000 ] - [ -0.0027744400000000, -0.0152394700000000, -0.0593439200000000 ] - [ -0.0024164500000000, -0.0224883900000000, -0.0611189700000000 ] - [ -0.0000403200000000, -0.0239636100000000, -0.0615915100000000 ] - [ 0.0026048300000000, 0.0043831300000000, 0.0038725500000000 ] - [ -0.0000318900000000, 0.0047406100000000, 0.0038141400000000 ] - [ -0.0031907000000000, 0.0006067600000000, 0.0039732500000000 ] - [ 0.0044940900000000, -0.0005311000000000, 0.0063128300000000 ] - [ -0.0012613600000000, 0.0020329800000000, 0.0033875500000000 ] - [ -0.0079214000000000, -0.0280769700000000, -0.0080073300000000 ] - [ -0.0013230500000000, 0.0019604800000000, 0.0035566300000000 ] - [ -0.0005188500000000, -0.0097652300000000, 0.0052346400000000 ]- atom: 65 displacement: [ 0.0000055737063633, 0.0000000000000000, 0.0099999984466897 ] forces: - [ 0.0021862700000000, 0.0062150600000000, 0.0061863000000000 ] - [ 0.0003201400000000, 0.0041473600000000, 0.0167558500000000 ] - [ 0.0018920600000000, 0.0063359100000000, 0.0059150400000000 ] - [ 0.0023851800000000, 0.0074395200000000, 0.0092045400000000 ] - [ -0.0036476300000000, -0.0012986200000000, -0.0102346300000000 ] - [ -0.0012405000000000, -0.0019823200000000, -0.0059404300000000 ] - [ -0.0017189100000000, -0.0020669100000000, -0.0065694600000000 ] - [ -0.0013907300000000, -0.0020504300000000, -0.0054146500000000 ] - [ 0.0019164100000000, -0.0060732400000000, 0.0033259900000000 ] - [ 0.0006396000000000, -0.0051967900000000, -0.0001002600000000 ] - [ 0.0018055200000000, -0.0060998900000000, 0.0041162900000000 ] - [ 0.0015959700000000, -0.0059840600000000, 0.0033175600000000 ] - [ 0.0003529400000000, 0.0034119800000000, 0.0021403100000000 ] - [ -0.0013172700000000, 0.0020847800000000, -0.0041278800000000 ] - [ -0.0016620000000000, 0.0004938400000000, 0.0009351200000000 ] - [ -0.0012623300000000, 0.0018408600000000, -0.0039596000000000 ] - [ -0.0111730400000000, -0.0314052500000000, 0.0307384400000000 ] - [ -0.0090505100000000, -0.0180940700000000, -0.0244120900000000 ] - [ -0.0107785900000000, -0.0189728000000000, -0.0204107100000000 ] - [ -0.0093330500000000, -0.0178491400000000, -0.0248288300000000 ] - [ -0.0003163200000000, -0.0186905500000000, -0.0211257700000000 ] - [ 0.0205655400000000, -0.0131940900000000, -0.0216582200000000 ] - [ 0.0089468000000000, -0.0150469200000000, -0.0210809600000000 ] - [ 0.0100987400000000, -0.0150736900000000, -0.0226993500000000 ] - [ 0.0214428400000000, -0.0369995400000000, 0.0565406700000000 ] - [ 0.0202410000000000, -0.0264566000000000, 0.0665417000000000 ] - [ 0.0159505600000000, -0.0201756500000000, 0.0529866900000000 ] - [ 0.0201988900000000, -0.0260536700000000, 0.0665427200000000 ] - [ -0.0251033500000000, -0.0241634000000000, 0.0666887400000000 ] - [ -0.0207618400000000, -0.0250961900000000, 0.0667401200000000 ] - [ -0.0252592300000000, -0.0212478200000000, 0.0669766000000000 ] - [ -0.0199884800000000, -0.0223454900000000, 0.0660302200000000 ] - [ -0.0118512700000000, 0.0229353700000000, -0.0377200300000000 ] - [ -0.0091726800000000, 0.0180186200000000, -0.0263903300000000 ] - [ -0.0074697700000000, 0.0075160900000000, -0.0331157800000000 ] - [ -0.0092294500000000, 0.0172710800000000, -0.0263993200000000 ] - [ 0.0110977700000000, 0.0159485200000000, -0.0272907400000000 ] - [ 0.0079827000000000, 0.0160084600000000, -0.0251422100000000 ] - [ 0.0104319800000000, 0.0126549500000000, -0.0265169400000000 ] - [ 0.0077771100000000, 0.0141985600000000, -0.0248332800000000 ] - [ -0.0097174700000000, 0.0256411600000000, 0.0694236200000000 ] - [ -0.0300759100000000, 0.0208138300000000, 0.0701391700000000 ] - [ -0.0211423400000000, 0.0238671400000000, 0.0686500200000000 ] - [ -0.0226418900000000, 0.0228259100000000, 0.0691933400000000 ] - [ 0.0125398100000000, 0.0147777600000000, 0.0681579600000000 ] - [ 0.0204813900000000, 0.0257658300000000, 0.0676577300000000 ] - [ 0.0188441500000000, 0.0272667000000000, 0.0687931400000000 ] - [ 0.0205694600000000, 0.0260798300000000, 0.0672545500000000 ] - [ 0.0039077300000000, -0.0017990600000000, -0.0012403900000000 ] - [ 0.0015145500000000, -0.0016773000000000, -0.0003450100000000 ] - [ 0.0029781100000000, -0.0037750900000000, -0.0028656800000000 ] - [ 0.0024281000000000, -0.0032656200000000, -0.0021916400000000 ] - [ 0.0050637500000000, 0.0366326300000000, -0.0596192700000000 ] - [ 0.0016726500000000, 0.0354655300000000, -0.0605944800000000 ] - [ 0.0063815500000000, 0.0346087500000000, -0.0594853200000000 ] - [ 0.0016488200000000, 0.0351946600000000, -0.0605951500000000 ] - [ 0.0009615300000000, 0.0009384200000000, 0.0003435000000000 ] - [ 0.0034814000000000, 0.0018068900000000, -0.0016778500000000 ] - [ 0.0024063300000000, 0.0030639400000000, -0.0019413000000000 ] - [ 0.0028451300000000, 0.0029498900000000, -0.0023212300000000 ] - [ -0.0154192300000000, -0.0253655300000000, -0.0560036900000000 ] - [ 0.0046006100000000, -0.0340814500000000, -0.0615032600000000 ] - [ 0.0024800300000000, -0.0366935400000000, -0.0605602700000000 ] - [ 0.0024210500000000, -0.0350383100000000, -0.0610708500000000 ] - [ 0.0117475800000000, 0.0425205900000000, -0.1510987500000000 ] - [ -0.0008083700000000, -0.0001842400000000, -0.0125432100000000 ] - [ -0.0002799100000000, -0.0004347500000000, -0.0137875900000000 ] - [ -0.0007343600000000, -0.0003863500000000, -0.0119489800000000 ] - [ 0.0000006500000000, -0.0003883800000000, -0.0152549200000000 ] - [ -0.0004759100000000, -0.0009328300000000, -0.0142033300000000 ] - [ 0.0001909000000000, -0.0018384800000000, -0.0124471100000000 ] - [ 0.0002175200000000, -0.0019410000000000, -0.0120413000000000 ] - [ 0.0163749600000000, 0.0052306800000000, 0.0257812000000000 ] - [ -0.0026752200000000, 0.0130048100000000, 0.0267787200000000 ] - [ 0.0006104100000000, 0.0130360300000000, 0.0260647100000000 ] - [ -0.0006633000000000, 0.0137119100000000, 0.0274108800000000 ] - [ 0.0005305600000000, 0.0116935500000000, 0.0260103200000000 ] - [ -0.0252432600000000, 0.0073199500000000, 0.0285000900000000 ] - [ -0.0009361800000000, 0.0113128000000000, 0.0264398500000000 ] - [ -0.0013475000000000, 0.0111707700000000, 0.0261636100000000 ] - [ -0.0011194200000000, -0.0011357500000000, -0.0013466900000000 ] - [ -0.0014989300000000, -0.0013252000000000, -0.0011123600000000 ] - [ -0.0003711800000000, -0.0023850300000000, -0.0004085300000000 ] - [ -0.0033209700000000, -0.0034837900000000, 0.0005022000000000 ] - [ 0.0007072900000000, -0.0014589100000000, -0.0014723300000000 ] - [ 0.0004177000000000, 0.0028018000000000, 0.0004802200000000 ] - [ 0.0007977300000000, -0.0016673700000000, -0.0012884800000000 ] - [ -0.0046423000000000, -0.0331143900000000, 0.0131221000000000 ] - [ 0.0014570000000000, 0.0037715400000000, 0.0195831500000000 ] - [ 0.0005238100000000, -0.0006574900000000, -0.0001774700000000 ] - [ 0.0010252000000000, -0.0025290600000000, -0.0007321000000000 ] - [ 0.0005529100000000, -0.0009202500000000, -0.0003946500000000 ] - [ -0.0005458400000000, 0.0215489100000000, -0.0604086300000000 ] - [ -0.0030893300000000, 0.0219982400000000, -0.0591830000000000 ] - [ -0.0006553000000000, 0.0212638800000000, -0.0605958000000000 ] - [ -0.0031121800000000, 0.0205879800000000, -0.0591927700000000 ] - [ 0.0014821600000000, -0.0035457900000000, 0.0063168100000000 ] - [ 0.0012595100000000, -0.0035610600000000, 0.0057899800000000 ] - [ 0.0017642800000000, -0.0037412900000000, 0.0060412600000000 ] - [ 0.0013774800000000, -0.0034529200000000, 0.0057819400000000 ] - [ -0.0013433500000000, -0.0019091000000000, 0.0042520600000000 ] - [ -0.0015084400000000, -0.0011953300000000, 0.0089565800000000 ] - [ -0.0013904500000000, -0.0018749900000000, 0.0041815300000000 ] - [ -0.0018067400000000, -0.0012312000000000, 0.0090112100000000 ] - [ -0.0009695200000000, 0.0020458800000000, -0.0066564300000000 ] - [ -0.0007948100000000, 0.0006556300000000, -0.0110945600000000 ] - [ -0.0007664200000000, 0.0011942700000000, -0.0071603700000000 ] - [ -0.0007487000000000, 0.0006545100000000, -0.0110466600000000 ] - [ 0.0007003900000000, 0.0027872000000000, -0.0097545300000000 ] - [ 0.0006155700000000, 0.0022270400000000, -0.0104540100000000 ] - [ 0.0006669300000000, 0.0024351000000000, -0.0098451300000000 ] - [ 0.0004103700000000, 0.0022403800000000, -0.0103864600000000 ] - [ -0.0013196700000000, -0.0148932100000000, 0.0291364600000000 ] - [ 0.0000495700000000, -0.0141126500000000, 0.0280471700000000 ] - [ -0.0014764800000000, -0.0134299900000000, 0.0296038000000000 ] - [ -0.0000303500000000, -0.0138492000000000, 0.0280760600000000 ] - [ -0.0019238100000000, -0.0112333000000000, 0.0272571000000000 ] - [ 0.0011042200000000, -0.0113980100000000, 0.0278616300000000 ] - [ -0.0015408500000000, -0.0109415200000000, 0.0271755900000000 ] - [ 0.0006781800000000, -0.0098883200000000, 0.0275638800000000 ] - [ -0.0031143900000000, 0.0030737900000000, 0.0022869500000000 ] - [ -0.0003422200000000, 0.0024824100000000, 0.0002361900000000 ] - [ -0.0017190400000000, 0.0011707900000000, -0.0003144300000000 ] - [ -0.0012885000000000, 0.0011631100000000, -0.0006236700000000 ] - [ 0.0006044200000000, 0.0019380000000000, -0.0007396400000000 ] - [ 0.0078284300000000, 0.0170311700000000, 0.0231153100000000 ] - [ 0.0007107500000000, 0.0014859800000000, -0.0011433100000000 ] - [ 0.0011061700000000, 0.0002021700000000, -0.0011749800000000 ] - [ 0.0002518600000000, -0.0091635300000000, 0.0240168100000000 ] - [ 0.0005268000000000, 0.0004070100000000, -0.0000372500000000 ] - [ 0.0006077600000000, 0.0016465200000000, -0.0007470000000000 ] - [ 0.0005440400000000, 0.0007622600000000, -0.0001991000000000 ] - [ -0.0038812100000000, -0.0222479600000000, -0.0618119700000000 ] - [ 0.0183887200000000, -0.0193104900000000, -0.0559153000000000 ] - [ -0.0021333700000000, -0.0219333100000000, -0.0612158000000000 ] - [ -0.0005329500000000, -0.0222367600000000, -0.0617039500000000 ] - [ 0.0007227100000000, 0.0048096300000000, 0.0018916800000000 ] - [ 0.0008527800000000, 0.0044424900000000, 0.0025098400000000 ] - [ -0.0006382000000000, 0.0025552900000000, 0.0037284700000000 ] - [ 0.0009096300000000, 0.0042399100000000, 0.0041218400000000 ] - [ -0.0012921000000000, 0.0022400800000000, 0.0027495700000000 ] - [ 0.0010846700000000, 0.0121793400000000, -0.0089756600000000 ] - [ -0.0013857900000000, 0.0019738800000000, 0.0033772000000000 ] - [ -0.0002651800000000, 0.0000091600000000, 0.0014052000000000 ]- atom: 65 displacement: [ -0.0000055737063633, 0.0000000000000000, -0.0099999984466897 ] forces: - [ 0.0012519800000000, 0.0062924800000000, 0.0035366700000000 ] - [ 0.0032689800000000, 0.0082868500000000, -0.0070129300000000 ] - [ 0.0015607200000000, 0.0061657100000000, 0.0038061800000000 ] - [ 0.0010629600000000, 0.0050685100000000, 0.0004974300000000 ] - [ 0.0006335300000000, -0.0028780400000000, 0.0004225600000000 ] - [ -0.0018082800000000, -0.0021886600000000, -0.0038788200000000 ] - [ -0.0013199400000000, -0.0021067700000000, -0.0032536900000000 ] - [ -0.0016548200000000, -0.0021233300000000, -0.0044033400000000 ] - [ 0.0015377700000000, -0.0064274200000000, 0.0063855900000000 ] - [ 0.0027759800000000, -0.0073022300000000, 0.0098087600000000 ] - [ 0.0016441900000000, -0.0064087200000000, 0.0056006300000000 ] - [ 0.0018383500000000, -0.0065284200000000, 0.0064007300000000 ] - [ -0.0035415000000000, 0.0006117300000000, -0.0118610300000000 ] - [ -0.0017200700000000, 0.0020928900000000, -0.0056810700000000 ] - [ -0.0014033100000000, 0.0036629100000000, -0.0107273000000000 ] - [ -0.0017812900000000, 0.0023287900000000, -0.0058559300000000 ] - [ -0.0077090700000000, -0.0012279600000000, -0.0836379000000000 ] - [ -0.0102429000000000, -0.0174242700000000, -0.0265720800000000 ] - [ -0.0085238200000000, -0.0166098000000000, -0.0306075900000000 ] - [ -0.0099598300000000, -0.0176732800000000, -0.0261603100000000 ] - [ 0.0189704200000000, -0.0116375100000000, -0.0259973800000000 ] - [ -0.0018802700000000, -0.0171372500000000, -0.0254565600000000 ] - [ 0.0097202900000000, -0.0153174200000000, -0.0260343000000000 ] - [ 0.0085979500000000, -0.0152984100000000, -0.0244219300000000 ] - [ 0.0185610000000000, -0.0152337300000000, 0.0773778300000000 ] - [ 0.0197911200000000, -0.0258838500000000, 0.0674202400000000 ] - [ 0.0240981400000000, -0.0322075900000000, 0.0809955300000000 ] - [ 0.0198315000000000, -0.0262884300000000, 0.0674190400000000 ] - [ -0.0194839000000000, -0.0218419300000000, 0.0698689300000000 ] - [ -0.0238364200000000, -0.0208978400000000, 0.0698029000000000 ] - [ -0.0193151800000000, -0.0247651900000000, 0.0695788300000000 ] - [ -0.0246182800000000, -0.0236635800000000, 0.0705283300000000 ] - [ -0.0074657000000000, 0.0126399000000000, -0.0133274400000000 ] - [ -0.0101218400000000, 0.0175057400000000, -0.0245919800000000 ] - [ -0.0118162200000000, 0.0279185700000000, -0.0178714900000000 ] - [ -0.0100607600000000, 0.0182468000000000, -0.0245829600000000 ] - [ 0.0076012000000000, 0.0144026200000000, -0.0198064600000000 ] - [ 0.0106833900000000, 0.0143495400000000, -0.0219518700000000 ] - [ 0.0082641500000000, 0.0176683400000000, -0.0205837800000000 ] - [ 0.0108891200000000, 0.0161480400000000, -0.0222599500000000 ] - [ -0.0347767700000000, 0.0204147500000000, 0.0671587300000000 ] - [ -0.0145193500000000, 0.0251901100000000, 0.0664546700000000 ] - [ -0.0234673600000000, 0.0221140900000000, 0.0679349400000000 ] - [ -0.0219449700000000, 0.0231507500000000, 0.0674028700000000 ] - [ 0.0276931800000000, 0.0387477000000000, 0.0677153400000000 ] - [ 0.0195553500000000, 0.0265697200000000, 0.0663125800000000 ] - [ 0.0211893500000000, 0.0250377200000000, 0.0652281400000000 ] - [ 0.0194624500000000, 0.0262564400000000, 0.0667185000000000 ] - [ 0.0014657300000000, -0.0037366000000000, -0.0028831200000000 ] - [ 0.0038573400000000, -0.0038574800000000, -0.0037850400000000 ] - [ 0.0023953000000000, -0.0017518400000000, -0.0012573100000000 ] - [ 0.0029456000000000, -0.0022602700000000, -0.0019311400000000 ] - [ -0.0000098800000000, 0.0335804800000000, -0.0621489000000000 ] - [ 0.0033900700000000, 0.0347519300000000, -0.0611815000000000 ] - [ -0.0013431200000000, 0.0356128000000000, -0.0622874300000000 ] - [ 0.0034175600000000, 0.0350236000000000, -0.0611813100000000 ] - [ 0.0044240800000000, 0.0045680900000000, -0.0044952400000000 ] - [ 0.0018960400000000, 0.0037300700000000, -0.0024680300000000 ] - [ 0.0029681800000000, 0.0024970000000000, -0.0022071800000000 ] - [ 0.0025298800000000, 0.0025998300000000, -0.0018237500000000 ] - [ 0.0202277400000000, -0.0447349600000000, -0.0657443900000000 ] - [ 0.0004682000000000, -0.0361284000000000, -0.0602774500000000 ] - [ 0.0025919200000000, -0.0334844800000000, -0.0612388000000000 ] - [ 0.0026371200000000, -0.0351754800000000, -0.0607113500000000 ] - [ -0.0138588300000000, -0.0476310300000000, 0.1275327600000000 ] - [ -0.0005129200000000, -0.0007714900000000, -0.0107099800000000 ] - [ -0.0010352300000000, -0.0005056100000000, -0.0094680700000000 ] - [ -0.0005859400000000, -0.0005665500000000, -0.0113023600000000 ] - [ 0.0008392700000000, -0.0036652900000000, -0.0076887300000000 ] - [ 0.0012518500000000, -0.0031217500000000, -0.0087286500000000 ] - [ 0.0006118500000000, -0.0021813900000000, -0.0104868500000000 ] - [ 0.0005808300000000, -0.0020775600000000, -0.0108926500000000 ] - [ -0.0169105100000000, 0.0223511400000000, 0.0295688500000000 ] - [ 0.0021681100000000, 0.0145943700000000, 0.0285095400000000 ] - [ -0.0011003000000000, 0.0145859500000000, 0.0292386100000000 ] - [ 0.0001531700000000, 0.0138897800000000, 0.0278782900000000 ] - [ -0.0023668300000000, 0.0108458900000000, 0.0275213900000000 ] - [ 0.0235272300000000, 0.0152025200000000, 0.0251248000000000 ] - [ -0.0009004300000000, 0.0112317800000000, 0.0270912600000000 ] - [ -0.0004956900000000, 0.0113811500000000, 0.0273701100000000 ] - [ -0.0017515300000000, -0.0019247500000000, 0.0002304400000000 ] - [ -0.0013891200000000, -0.0017264200000000, 0.0000215300000000 ] - [ -0.0024988400000000, -0.0006821100000000, -0.0007077800000000 ] - [ 0.0004535100000000, 0.0004238200000000, -0.0016237100000000 ] - [ 0.0008764900000000, -0.0016786400000000, -0.0009088300000000 ] - [ 0.0011806200000000, -0.0059311300000000, -0.0027997300000000 ] - [ 0.0007867600000000, -0.0014703800000000, -0.0010912800000000 ] - [ 0.0063015200000000, 0.0302289000000000, -0.0156775600000000 ] - [ -0.0002428800000000, -0.0052471700000000, -0.0203116800000000 ] - [ 0.0007020400000000, -0.0008116800000000, -0.0002489300000000 ] - [ 0.0002030900000000, 0.0010849600000000, 0.0003301400000000 ] - [ 0.0006732800000000, -0.0005461400000000, -0.0000286000000000 ] - [ -0.0021617600000000, 0.0217935700000000, -0.0615583600000000 ] - [ 0.0004015100000000, 0.0213349200000000, -0.0627767200000000 ] - [ -0.0020551800000000, 0.0220812900000000, -0.0613718800000000 ] - [ 0.0004246000000000, 0.0227613800000000, -0.0627776000000000 ] - [ 0.0009602300000000, -0.0041080500000000, 0.0031673400000000 ] - [ 0.0011905000000000, -0.0040905100000000, 0.0036962200000000 ] - [ 0.0006749100000000, -0.0039092200000000, 0.0034438500000000 ] - [ 0.0010745700000000, -0.0041965200000000, 0.0037027700000000 ] - [ -0.0011401400000000, -0.0021034600000000, 0.0030863600000000 ] - [ -0.0009709300000000, -0.0028367200000000, -0.0015959000000000 ] - [ -0.0010934900000000, -0.0021366500000000, 0.0031563700000000 ] - [ -0.0006760700000000, -0.0027693000000000, -0.0016650600000000 ] - [ -0.0003491000000000, -0.0010990700000000, -0.0165866100000000 ] - [ -0.0005263000000000, 0.0002967000000000, -0.0121559200000000 ] - [ -0.0005528100000000, -0.0002244800000000, -0.0160882600000000 ] - [ -0.0005721100000000, 0.0003001100000000, -0.0122034500000000 ] - [ 0.0000959700000000, 0.0012355200000000, -0.0131758500000000 ] - [ 0.0001919700000000, 0.0017962100000000, -0.0124755000000000 ] - [ 0.0001309100000000, 0.0015948200000000, -0.0130846000000000 ] - [ 0.0003949500000000, 0.0017867200000000, -0.0125439300000000 ] - [ 0.0007974700000000, -0.0127163000000000, 0.0261549300000000 ] - [ -0.0005506100000000, -0.0134894800000000, 0.0272401700000000 ] - [ 0.0009579100000000, -0.0141609700000000, 0.0256886200000000 ] - [ -0.0004727600000000, -0.0137528100000000, 0.0272116900000000 ] - [ 0.0000792400000000, -0.0113110100000000, 0.0262731700000000 ] - [ -0.0029158800000000, -0.0111455500000000, 0.0256688700000000 ] - [ -0.0003049700000000, -0.0115999800000000, 0.0263549600000000 ] - [ -0.0024961300000000, -0.0126466400000000, 0.0259660300000000 ] - [ 0.0002286600000000, -0.0000059300000000, -0.0033888200000000 ] - [ -0.0025236900000000, 0.0005761500000000, -0.0013653400000000 ] - [ -0.0011522000000000, 0.0018834200000000, -0.0008160900000000 ] - [ -0.0015799600000000, 0.0018915100000000, -0.0005099400000000 ] - [ 0.0009771900000000, 0.0011989500000000, -0.0016412300000000 ] - [ -0.0061508500000000, -0.0137567400000000, -0.0251792800000000 ] - [ 0.0008730200000000, 0.0016477700000000, -0.0012402600000000 ] - [ 0.0004805600000000, 0.0029073400000000, -0.0012295600000000 ] - [ 0.0009457600000000, 0.0104192900000000, -0.0240222800000000 ] - [ 0.0006976400000000, 0.0010608900000000, -0.0003908700000000 ] - [ 0.0006164000000000, -0.0001446000000000, 0.0002898200000000 ] - [ 0.0006814500000000, 0.0007108800000000, -0.0002310800000000 ] - [ 0.0011576700000000, -0.0211016300000000, -0.0601622500000000 ] - [ -0.0209035500000000, -0.0240440700000000, -0.0660790800000000 ] - [ -0.0005694200000000, -0.0214067300000000, -0.0607542300000000 ] - [ -0.0021743900000000, -0.0211005800000000, -0.0602706200000000 ] - [ 0.0017171800000000, 0.0028446400000000, 0.0075790000000000 ] - [ 0.0015884700000000, 0.0032103900000000, 0.0069686800000000 ] - [ 0.0030987200000000, 0.0051119400000000, 0.0057554000000000 ] - [ 0.0014907300000000, 0.0034715000000000, 0.0053354900000000 ] - [ -0.0011913500000000, 0.0017739500000000, 0.0045842000000000 ] - [ -0.0035724500000000, -0.0082602500000000, 0.0161928700000000 ] - [ -0.0010978700000000, 0.0020396700000000, 0.0039589700000000 ] - [ -0.0022078000000000, 0.0040732300000000, 0.0059065800000000 ]- atom: 69 displacement: [ 0.0099999993466229, 0.0000000000000000, -0.0000036149054082 ] forces: - [ 0.0187249800000000, 0.0044954500000000, 0.0057466300000000 ] - [ -0.0010159200000000, 0.0068181700000000, 0.0051353400000000 ] - [ 0.0028166400000000, 0.0079146400000000, 0.0051357500000000 ] - [ 0.0000412100000000, 0.0061282300000000, 0.0049040500000000 ] - [ -0.0007683500000000, -0.0021058200000000, -0.0046827900000000 ] - [ -0.0023907000000000, -0.0019256200000000, -0.0052102700000000 ] - [ -0.0008850000000000, -0.0020298700000000, -0.0049902100000000 ] - [ -0.0021468700000000, -0.0021991200000000, -0.0050051800000000 ] - [ 0.0030002900000000, -0.0062325500000000, 0.0051244500000000 ] - [ 0.0004950900000000, -0.0061910600000000, 0.0045687000000000 ] - [ 0.0027220300000000, -0.0063025700000000, 0.0047390400000000 ] - [ 0.0007205600000000, -0.0062527900000000, 0.0046958300000000 ] - [ 0.0088870700000000, 0.0021687400000000, -0.0033397800000000 ] - [ -0.0037700400000000, 0.0015197900000000, -0.0045149800000000 ] - [ 0.0007517800000000, -0.0000002300000000, -0.0053273800000000 ] - [ -0.0026308800000000, 0.0029637200000000, -0.0046334200000000 ] - [ -0.0164243100000000, -0.0191707200000000, -0.0217243000000000 ] - [ -0.0189802000000000, -0.0131496700000000, -0.0270847100000000 ] - [ -0.0112825800000000, -0.0165611100000000, -0.0236995400000000 ] - [ -0.0102465000000000, -0.0200336400000000, -0.0267702200000000 ] - [ 0.0298263600000000, -0.0262514500000000, -0.0162176800000000 ] - [ 0.0054015200000000, -0.0159410500000000, -0.0237888700000000 ] - [ 0.0133706700000000, -0.0157287400000000, -0.0230702300000000 ] - [ 0.0072960800000000, -0.0154869600000000, -0.0234524600000000 ] - [ 0.0196843600000000, -0.0254337700000000, 0.0681008300000000 ] - [ 0.0194115500000000, -0.0268820300000000, 0.0645373700000000 ] - [ 0.0202077000000000, -0.0265389400000000, 0.0681843100000000 ] - [ 0.0196033300000000, -0.0255657600000000, 0.0652286900000000 ] - [ -0.0193724900000000, -0.0224906500000000, 0.0671473300000000 ] - [ -0.0243787400000000, -0.0228356100000000, 0.0682895800000000 ] - [ -0.0201425600000000, -0.0229005500000000, 0.0676951200000000 ] - [ -0.0240879200000000, -0.0227071400000000, 0.0683103300000000 ] - [ -0.0105753200000000, 0.0183683300000000, -0.0278692100000000 ] - [ -0.0092867900000000, 0.0171518300000000, -0.0242792800000000 ] - [ -0.0101338000000000, 0.0166656500000000, -0.0272301700000000 ] - [ -0.0095153200000000, 0.0187749100000000, -0.0247382000000000 ] - [ 0.0114452700000000, 0.0150503400000000, -0.0246940300000000 ] - [ 0.0076843900000000, 0.0152296900000000, -0.0233165700000000 ] - [ 0.0113930900000000, 0.0156353900000000, -0.0237842900000000 ] - [ 0.0077754300000000, 0.0154993700000000, -0.0233902400000000 ] - [ 0.0009738600000000, 0.0201544200000000, 0.0672598000000000 ] - [ -0.0267722900000000, 0.0221067300000000, 0.0682436800000000 ] - [ -0.0178960000000000, 0.0230132400000000, 0.0692696700000000 ] - [ -0.0248757500000000, 0.0226470800000000, 0.0681285400000000 ] - [ 0.0139168100000000, 0.0258914300000000, 0.0642014300000000 ] - [ 0.0123755100000000, 0.0288381400000000, 0.0699875200000000 ] - [ 0.0177254900000000, 0.0273957600000000, 0.0661247700000000 ] - [ 0.0198637500000000, 0.0242345900000000, 0.0689431900000000 ] - [ -0.0000097500000000, -0.0011173300000000, -0.0020055500000000 ] - [ 0.0033015100000000, -0.0026329800000000, -0.0021039200000000 ] - [ 0.0021127700000000, -0.0026207300000000, -0.0019096800000000 ] - [ 0.0031106000000000, -0.0027711200000000, -0.0022478700000000 ] - [ 0.0011443600000000, 0.0350350600000000, -0.0610910800000000 ] - [ 0.0040855000000000, 0.0352047500000000, -0.0607022600000000 ] - [ 0.0012445800000000, 0.0353025700000000, -0.0610186800000000 ] - [ 0.0038046800000000, 0.0350045500000000, -0.0607374400000000 ] - [ -0.0025525300000000, 0.0041440900000000, 0.0011381500000000 ] - [ 0.0034347600000000, 0.0029687500000000, -0.0025116400000000 ] - [ 0.0016354600000000, 0.0024583500000000, -0.0015943100000000 ] - [ 0.0032689600000000, 0.0026171400000000, -0.0023126400000000 ] - [ 0.0050422300000000, -0.0301977600000000, -0.0548343600000000 ] - [ 0.0071033300000000, -0.0356280900000000, -0.0611565800000000 ] - [ 0.0012775100000000, -0.0403109400000000, -0.0590090500000000 ] - [ 0.0041651200000000, -0.0347531900000000, -0.0612405800000000 ] - [ 0.0029162200000000, 0.0019024400000000, -0.0120482600000000 ] - [ 0.0025496500000000, -0.0017986500000000, -0.0124865300000000 ] - [ -0.0003228200000000, -0.0007046800000000, -0.0118366900000000 ] - [ -0.0006091600000000, 0.0000630200000000, -0.0118080800000000 ] - [ -0.0853321100000000, 0.0147396800000000, -0.0229900600000000 ] - [ 0.0015306200000000, -0.0019240500000000, -0.0113148700000000 ] - [ -0.0007003700000000, -0.0018324100000000, -0.0118530900000000 ] - [ 0.0011312100000000, -0.0020919000000000, -0.0113839600000000 ] - [ 0.0034333200000000, 0.0215963000000000, 0.0235426700000000 ] - [ 0.0035703800000000, 0.0129466900000000, 0.0276643100000000 ] - [ -0.0012327100000000, 0.0113664800000000, 0.0257070000000000 ] - [ 0.0009850900000000, 0.0140660100000000, 0.0278448400000000 ] - [ 0.0149298800000000, 0.0010302800000000, 0.0368614100000000 ] - [ 0.0023775800000000, 0.0112807100000000, 0.0264585200000000 ] - [ -0.0024008000000000, 0.0115198900000000, 0.0268586300000000 ] - [ 0.0007165300000000, 0.0111333600000000, 0.0265713500000000 ] - [ -0.0042589300000000, 0.0001690600000000, 0.0018289200000000 ] - [ -0.0008712100000000, -0.0015502200000000, -0.0009427000000000 ] - [ -0.0001590700000000, -0.0016072500000000, -0.0001533900000000 ] - [ -0.0007593700000000, -0.0015978100000000, -0.0007372900000000 ] - [ 0.0023374300000000, -0.0002505800000000, 0.0015328400000000 ] - [ 0.0010098000000000, -0.0015566600000000, -0.0018519200000000 ] - [ 0.0014212400000000, -0.0040701100000000, 0.0003132000000000 ] - [ 0.0016326500000000, 0.0001451400000000, -0.0024939500000000 ] - [ 0.0007861500000000, -0.0015019500000000, -0.0016471800000000 ] - [ 0.0015498800000000, 0.0002917000000000, 0.0016092600000000 ] - [ 0.0006128100000000, -0.0010678400000000, -0.0008057600000000 ] - [ 0.0007670500000000, -0.0004082900000000, 0.0003321700000000 ] - [ -0.0026803100000000, 0.0217517400000000, -0.0605487700000000 ] - [ -0.0002005400000000, 0.0214981900000000, -0.0609695300000000 ] - [ -0.0022841300000000, 0.0215882900000000, -0.0608026100000000 ] - [ -0.0003211800000000, 0.0216313900000000, -0.0610256500000000 ] - [ 0.0006295800000000, -0.0037324700000000, 0.0054109900000000 ] - [ 0.0017735900000000, -0.0036746400000000, 0.0048576600000000 ] - [ 0.0006405800000000, -0.0039128300000000, 0.0047819700000000 ] - [ 0.0017700100000000, -0.0037295100000000, 0.0048336900000000 ] - [ -0.0013599100000000, -0.0016665200000000, 0.0039220400000000 ] - [ -0.0010644800000000, -0.0022422000000000, 0.0038521500000000 ] - [ -0.0012957200000000, -0.0020464500000000, 0.0038159900000000 ] - [ -0.0011613800000000, -0.0020427800000000, 0.0038003600000000 ] - [ -0.0005990500000000, 0.0006249700000000, -0.0113218100000000 ] - [ -0.0006974000000000, 0.0004460500000000, -0.0114152100000000 ] - [ -0.0005830700000000, 0.0007513700000000, -0.0113558900000000 ] - [ -0.0006929100000000, 0.0002373200000000, -0.0116181700000000 ] - [ -0.0000715600000000, 0.0020937500000000, -0.0111841800000000 ] - [ 0.0009121000000000, 0.0020093900000000, -0.0113718000000000 ] - [ -0.0001013100000000, 0.0020960200000000, -0.0114594600000000 ] - [ 0.0008653400000000, 0.0019895300000000, -0.0113846000000000 ] - [ -0.0009494600000000, -0.0138137800000000, 0.0279038600000000 ] - [ 0.0004679100000000, -0.0137692200000000, 0.0276120100000000 ] - [ -0.0010836500000000, -0.0137395200000000, 0.0279976000000000 ] - [ 0.0004704900000000, -0.0140233000000000, 0.0276186000000000 ] - [ -0.0024094400000000, -0.0111013000000000, 0.0266795500000000 ] - [ 0.0005771300000000, -0.0112786700000000, 0.0268998900000000 ] - [ -0.0020762200000000, -0.0114599700000000, 0.0267610400000000 ] - [ 0.0004120500000000, -0.0111376200000000, 0.0268732000000000 ] - [ -0.0015016900000000, 0.0010318500000000, -0.0011526800000000 ] - [ -0.0007482000000000, 0.0014823600000000, -0.0009366000000000 ] - [ -0.0020240100000000, 0.0015746200000000, -0.0002812500000000 ] - [ -0.0009888100000000, 0.0016090200000000, -0.0006795100000000 ] - [ 0.0011374700000000, 0.0002443500000000, -0.0026975400000000 ] - [ 0.0019393900000000, 0.0027667000000000, 0.0010662900000000 ] - [ 0.0006092300000000, 0.0016305500000000, -0.0015631600000000 ] - [ 0.0011317000000000, 0.0016771800000000, -0.0005943200000000 ] - [ 0.0020398800000000, 0.0006884100000000, 0.0025306800000000 ] - [ 0.0011938500000000, 0.0017341600000000, -0.0015190500000000 ] - [ 0.0009496500000000, 0.0001987700000000, 0.0004464500000000 ] - [ 0.0006400100000000, 0.0010390900000000, -0.0004702600000000 ] - [ 0.0097855700000000, -0.0273107300000000, -0.0737921600000000 ] - [ 0.0020159700000000, -0.0215519700000000, -0.0606063500000000 ] - [ -0.0029891200000000, -0.0218927400000000, -0.0614297800000000 ] - [ 0.0006516100000000, -0.0218707800000000, -0.0609509700000000 ] - [ -0.0033974900000000, -0.0023254400000000, 0.0026832300000000 ] - [ 0.0023329200000000, 0.0036231500000000, 0.0049225500000000 ] - [ -0.0047240700000000, 0.0065189900000000, 0.0029633200000000 ] - [ 0.0022163700000000, 0.0036307700000000, 0.0049155800000000 ] - [ -0.0005461500000000, 0.0008568700000000, 0.0031421500000000 ] - [ -0.0004503500000000, 0.0030496300000000, 0.0036312600000000 ] - [ 0.0026103500000000, 0.0074671100000000, 0.0016487400000000 ] - [ 0.0009123400000000, 0.0000411300000000, 0.0032385300000000 ]- atom: 69 displacement: [ -0.0099999993466229, 0.0000000000000000, 0.0000036149054082 ] forces: - [ -0.0162135400000000, 0.0074113700000000, 0.0039339900000000 ] - [ 0.0044561900000000, 0.0056931200000000, 0.0045826600000000 ] - [ 0.0005848400000000, 0.0046258000000000, 0.0045933700000000 ] - [ 0.0034123400000000, 0.0063844000000000, 0.0048140100000000 ] - [ -0.0022490900000000, -0.0020570800000000, -0.0051372100000000 ] - [ -0.0006615400000000, -0.0022485600000000, -0.0045937000000000 ] - [ -0.0021523600000000, -0.0021408200000000, -0.0048127900000000 ] - [ -0.0009046300000000, -0.0019707400000000, -0.0047987600000000 ] - [ 0.0004103600000000, -0.0062880500000000, 0.0045904900000000 ] - [ 0.0029604100000000, -0.0063193700000000, 0.0051428100000000 ] - [ 0.0007077100000000, -0.0062022900000000, 0.0049709000000000 ] - [ 0.0027328500000000, -0.0062543900000000, 0.0050170200000000 ] - [ -0.0116406600000000, 0.0016456900000000, -0.0063226300000000 ] - [ 0.0007352400000000, 0.0026540000000000, -0.0052946800000000 ] - [ -0.0037644400000000, 0.0042055000000000, -0.0044609100000000 ] - [ -0.0004196300000000, 0.0012032900000000, -0.0051721900000000 ] - [ -0.0028482200000000, -0.0163927200000000, -0.0292275900000000 ] - [ -0.0002823500000000, -0.0224134100000000, -0.0238844800000000 ] - [ -0.0080196900000000, -0.0189459000000000, -0.0272647800000000 ] - [ -0.0090501300000000, -0.0154479500000000, -0.0241939900000000 ] - [ -0.0110339400000000, -0.0041876600000000, -0.0306770800000000 ] - [ 0.0132866300000000, -0.0144102200000000, -0.0233088000000000 ] - [ 0.0053110700000000, -0.0145858500000000, -0.0239977000000000 ] - [ 0.0113891100000000, -0.0148582400000000, -0.0236453400000000 ] - [ 0.0203764100000000, -0.0269022600000000, 0.0658783500000000 ] - [ 0.0206050100000000, -0.0254661500000000, 0.0694633700000000 ] - [ 0.0198587600000000, -0.0257920100000000, 0.0657939700000000 ] - [ 0.0204041400000000, -0.0267764700000000, 0.0687528000000000 ] - [ -0.0252476800000000, -0.0236160100000000, 0.0694176900000000 ] - [ -0.0202108100000000, -0.0231726800000000, 0.0682844300000000 ] - [ -0.0244246400000000, -0.0230360500000000, 0.0687962000000000 ] - [ -0.0205070000000000, -0.0232997800000000, 0.0682650200000000 ] - [ -0.0087049200000000, 0.0171559600000000, -0.0231436900000000 ] - [ -0.0100278300000000, 0.0183678000000000, -0.0267236400000000 ] - [ -0.0091419000000000, 0.0188575400000000, -0.0237735900000000 ] - [ -0.0098049000000000, 0.0167367400000000, -0.0262614400000000 ] - [ 0.0072259600000000, 0.0152686300000000, -0.0223937100000000 ] - [ 0.0109999100000000, 0.0151186200000000, -0.0237944200000000 ] - [ 0.0073058800000000, 0.0147767800000000, -0.0233226200000000 ] - [ 0.0109086900000000, 0.0148462100000000, -0.0237203100000000 ] - [ -0.0455943300000000, 0.0258682500000000, 0.0694279100000000 ] - [ -0.0178119900000000, 0.0239014800000000, 0.0683241000000000 ] - [ -0.0266872800000000, 0.0230351900000000, 0.0672755000000000 ] - [ -0.0197204100000000, 0.0233642600000000, 0.0684397400000000 ] - [ 0.0261366100000000, 0.0264196600000000, 0.0697498200000000 ] - [ 0.0277033100000000, 0.0234687800000000, 0.0639523000000000 ] - [ 0.0222979900000000, 0.0249589000000000, 0.0678354600000000 ] - [ 0.0201619500000000, 0.0281390500000000, 0.0650001500000000 ] - [ 0.0053632100000000, -0.0043326400000000, -0.0020111700000000 ] - [ 0.0020731600000000, -0.0029063000000000, -0.0020333900000000 ] - [ 0.0032582300000000, -0.0029490300000000, -0.0022448900000000 ] - [ 0.0022648800000000, -0.0027701500000000, -0.0018903900000000 ] - [ 0.0038892600000000, 0.0351873300000000, -0.0606895100000000 ] - [ 0.0009785900000000, 0.0350110000000000, -0.0610799300000000 ] - [ 0.0037864500000000, 0.0349037100000000, -0.0607571900000000 ] - [ 0.0012667800000000, 0.0352118100000000, -0.0610432700000000 ] - [ 0.0078814900000000, 0.0014621700000000, -0.0053730100000000 ] - [ 0.0019378600000000, 0.0025660600000000, -0.0016166100000000 ] - [ 0.0037362800000000, 0.0030483700000000, -0.0025218300000000 ] - [ 0.0021047200000000, 0.0029167600000000, -0.0018162200000000 ] - [ 0.0000081900000000, -0.0399630200000000, -0.0668970200000000 ] - [ -0.0020619700000000, -0.0345790600000000, -0.0606188500000000 ] - [ 0.0037790500000000, -0.0299643700000000, -0.0627443500000000 ] - [ 0.0008940000000000, -0.0354668200000000, -0.0605343700000000 ] - [ -0.0041886300000000, -0.0028097400000000, -0.0112077600000000 ] - [ -0.0038986500000000, 0.0008657200000000, -0.0107572200000000 ] - [ -0.0009997800000000, -0.0002571200000000, -0.0114158400000000 ] - [ -0.0007032200000000, -0.0010316800000000, -0.0114440300000000 ] - [ 0.0868647200000000, -0.0176678200000000, -0.0002956900000000 ] - [ -0.0007311800000000, -0.0021042400000000, -0.0116181600000000 ] - [ 0.0015008600000000, -0.0022180500000000, -0.0110825100000000 ] - [ -0.0003306700000000, -0.0019380200000000, -0.0115494100000000 ] - [ -0.0039545700000000, 0.0060694500000000, 0.0316978800000000 ] - [ -0.0040888100000000, 0.0146639900000000, 0.0276230000000000 ] - [ 0.0007229400000000, 0.0162118600000000, 0.0295582800000000 ] - [ -0.0014941400000000, 0.0135326500000000, 0.0274417200000000 ] - [ -0.0169540000000000, 0.0216929700000000, 0.0164791800000000 ] - [ -0.0042147400000000, 0.0112652900000000, 0.0270678200000000 ] - [ 0.0005806600000000, 0.0110063100000000, 0.0266700000000000 ] - [ -0.0025543300000000, 0.0114061300000000, 0.0269576200000000 ] - [ 0.0014159300000000, -0.0032337100000000, -0.0029980600000000 ] - [ -0.0020016700000000, -0.0015079700000000, -0.0001842800000000 ] - [ -0.0026594800000000, -0.0017012700000000, -0.0008956300000000 ] - [ -0.0021134700000000, -0.0014569100000000, -0.0003910100000000 ] - [ -0.0007711000000000, -0.0028988500000000, -0.0039579200000000 ] - [ 0.0005748400000000, -0.0015751300000000, -0.0005422900000000 ] - [ 0.0001717200000000, 0.0009586500000000, -0.0027035200000000 ] - [ -0.0000489300000000, -0.0032665600000000, 0.0000987800000000 ] - [ 0.0004327800000000, 0.0000326300000000, 0.0012110300000000 ] - [ -0.0003241700000000, -0.0017675500000000, -0.0020469600000000 ] - [ 0.0006111600000000, -0.0004101700000000, 0.0003686600000000 ] - [ 0.0004615500000000, -0.0010706200000000, -0.0007681800000000 ] - [ 0.0000045200000000, 0.0216000700000000, -0.0614263100000000 ] - [ -0.0025166500000000, 0.0218427600000000, -0.0610003700000000 ] - [ -0.0003964800000000, 0.0217475700000000, -0.0611606400000000 ] - [ -0.0023946000000000, 0.0217083900000000, -0.0609441100000000 ] - [ 0.0018188500000000, -0.0038997800000000, 0.0040732600000000 ] - [ 0.0006693000000000, -0.0039808900000000, 0.0046247700000000 ] - [ 0.0018047000000000, -0.0037517400000000, 0.0047051000000000 ] - [ 0.0006734300000000, -0.0039247600000000, 0.0046486700000000 ] - [ -0.0011138400000000, -0.0023516300000000, 0.0034124300000000 ] - [ -0.0014223500000000, -0.0017703100000000, 0.0034909100000000 ] - [ -0.0011774100000000, -0.0019701900000000, 0.0035196100000000 ] - [ -0.0013270700000000, -0.0019712100000000, 0.0035395300000000 ] - [ -0.0007268900000000, 0.0003342900000000, -0.0119245000000000 ] - [ -0.0006159800000000, 0.0005112200000000, -0.0118376400000000 ] - [ -0.0007421600000000, 0.0002026500000000, -0.0118904600000000 ] - [ -0.0006200500000000, 0.0007170800000000, -0.0116327600000000 ] - [ 0.0008769700000000, 0.0019439500000000, -0.0117429900000000 ] - [ -0.0001112800000000, 0.0020220800000000, -0.0115592200000000 ] - [ 0.0009048600000000, 0.0019241500000000, -0.0114698300000000 ] - [ -0.0000643000000000, 0.0020417400000000, -0.0115460300000000 ] - [ 0.0004279600000000, -0.0137876700000000, 0.0273887300000000 ] - [ -0.0009693900000000, -0.0138332800000000, 0.0276794300000000 ] - [ 0.0005621300000000, -0.0138712100000000, 0.0272975400000000 ] - [ -0.0009695100000000, -0.0135774700000000, 0.0276721600000000 ] - [ 0.0005964600000000, -0.0114378900000000, 0.0268548800000000 ] - [ -0.0024191400000000, -0.0112622600000000, 0.0266337900000000 ] - [ 0.0002628900000000, -0.0110853800000000, 0.0267711800000000 ] - [ -0.0022562200000000, -0.0114029400000000, 0.0266598400000000 ] - [ -0.0013275100000000, 0.0019184800000000, -0.0001068600000000 ] - [ -0.0021265300000000, 0.0015792700000000, -0.0001827700000000 ] - [ -0.0008454000000000, 0.0014982000000000, -0.0008301100000000 ] - [ -0.0018847100000000, 0.0014504500000000, -0.0004424000000000 ] - [ 0.0004525700000000, 0.0029053200000000, 0.0003355000000000 ] - [ -0.0003527900000000, 0.0003755200000000, -0.0034360300000000 ] - [ 0.0009825600000000, 0.0015064900000000, -0.0008087400000000 ] - [ 0.0004544700000000, 0.0014616800000000, -0.0017811000000000 ] - [ -0.0008003300000000, 0.0007892100000000, -0.0029317700000000 ] - [ 0.0000332800000000, -0.0002713000000000, 0.0011066000000000 ] - [ 0.0002766000000000, 0.0012586500000000, -0.0008664700000000 ] - [ 0.0005904400000000, 0.0004210200000000, 0.0000521400000000 ] - [ -0.0126634400000000, -0.0159290800000000, -0.0479462800000000 ] - [ -0.0047259300000000, -0.0217874500000000, -0.0613592600000000 ] - [ 0.0002933100000000, -0.0214659400000000, -0.0605439500000000 ] - [ -0.0033545900000000, -0.0214766300000000, -0.0610191400000000 ] - [ 0.0059019500000000, 0.0098425600000000, 0.0067535100000000 ] - [ 0.0001088900000000, 0.0040323700000000, 0.0045568300000000 ] - [ 0.0071877900000000, 0.0010965900000000, 0.0065206000000000 ] - [ 0.0002267600000000, 0.0040218600000000, 0.0045652600000000 ] - [ -0.0019286100000000, 0.0031751500000000, 0.0041932300000000 ] - [ -0.0020403700000000, 0.0009688600000000, 0.0037031900000000 ] - [ -0.0051521800000000, -0.0035337000000000, 0.0057180300000000 ] - [ -0.0033783100000000, 0.0039567100000000, 0.0040935400000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0015751900000000, 0.0146922900000000, 0.0040167400000000 ] - [ 0.0027680200000000, 0.0074059800000000, 0.0044394700000000 ] - [ 0.0058594800000000, 0.0006267600000000, 0.0039518700000000 ] - [ 0.0013840600000000, 0.0050333300000000, 0.0043287900000000 ] - [ -0.0035117600000000, -0.0022549500000000, -0.0024178700000000 ] - [ -0.0013818100000000, -0.0018849800000000, -0.0046094100000000 ] - [ -0.0016449700000000, -0.0026642600000000, -0.0046695000000000 ] - [ -0.0015721700000000, -0.0022674400000000, -0.0048991500000000 ] - [ 0.0029087000000000, -0.0050072100000000, 0.0058421200000000 ] - [ 0.0014738400000000, -0.0058672400000000, 0.0051113400000000 ] - [ 0.0018857300000000, -0.0071898900000000, 0.0054803800000000 ] - [ 0.0017246400000000, -0.0066601500000000, 0.0052779500000000 ] - [ 0.0002611700000000, 0.0055334700000000, -0.0055157700000000 ] - [ -0.0024069700000000, 0.0026956400000000, -0.0047881900000000 ] - [ -0.0050937100000000, -0.0030604000000000, -0.0077546100000000 ] - [ -0.0012985800000000, 0.0015940600000000, -0.0052404200000000 ] - [ -0.0186232500000000, -0.0121838600000000, -0.0263317700000000 ] - [ -0.0035269000000000, -0.0169456900000000, -0.0270215700000000 ] - [ -0.0072671700000000, -0.0199983200000000, -0.0283319700000000 ] - [ -0.0106501400000000, -0.0202118800000000, -0.0269308500000000 ] - [ 0.0038025300000000, 0.0455851400000000, -0.0630407800000000 ] - [ 0.0090383400000000, -0.0150153900000000, -0.0237535800000000 ] - [ 0.0089172900000000, -0.0232133500000000, -0.0283902700000000 ] - [ 0.0095643500000000, -0.0152856700000000, -0.0241113100000000 ] - [ 0.0188061400000000, -0.0251319900000000, 0.0670263800000000 ] - [ 0.0203222000000000, -0.0242902800000000, 0.0659326200000000 ] - [ 0.0184882900000000, -0.0279109500000000, 0.0675009700000000 ] - [ 0.0215140300000000, -0.0270914100000000, 0.0676849000000000 ] - [ -0.0194592000000000, -0.0105145700000000, 0.0682258700000000 ] - [ -0.0225994500000000, -0.0224447200000000, 0.0683563600000000 ] - [ -0.0245999600000000, -0.0299281800000000, 0.0748426800000000 ] - [ -0.0223755000000000, -0.0234879600000000, 0.0682776500000000 ] - [ -0.0084544000000000, 0.0181852400000000, -0.0230373300000000 ] - [ -0.0105295300000000, 0.0179505900000000, -0.0247915700000000 ] - [ -0.0102997000000000, 0.0166389500000000, -0.0244042500000000 ] - [ -0.0088513800000000, 0.0176198200000000, -0.0248185500000000 ] - [ 0.0085397800000000, 0.0140720700000000, -0.0173314700000000 ] - [ 0.0095384300000000, 0.0153749100000000, -0.0232896400000000 ] - [ 0.0086100000000000, 0.0123726900000000, -0.0224532400000000 ] - [ 0.0092050100000000, 0.0149933200000000, -0.0230396400000000 ] - [ -0.0222493000000000, 0.0502323300000000, 0.0704135400000000 ] - [ -0.0226977000000000, 0.0233100300000000, 0.0680787100000000 ] - [ -0.0237528100000000, 0.0139224100000000, 0.0719156200000000 ] - [ -0.0219090100000000, 0.0226500000000000, 0.0685454100000000 ] - [ 0.0172921200000000, 0.0300190900000000, 0.0664343000000000 ] - [ 0.0194841500000000, 0.0280826400000000, 0.0669097300000000 ] - [ 0.0227844900000000, 0.0233049700000000, 0.0682814400000000 ] - [ 0.0192083500000000, 0.0239722800000000, 0.0684637900000000 ] - [ 0.0054854500000000, -0.0184952600000000, -0.0172678500000000 ] - [ 0.0027351100000000, -0.0030358700000000, -0.0023016100000000 ] - [ 0.0028365800000000, 0.0012720400000000, 0.0008612400000000 ] - [ 0.0026480800000000, -0.0022917700000000, -0.0016133300000000 ] - [ 0.0040524600000000, 0.0339043900000000, -0.0608382100000000 ] - [ 0.0026840300000000, 0.0348376600000000, -0.0608964900000000 ] - [ 0.0042371900000000, 0.0359776400000000, -0.0614261400000000 ] - [ 0.0019434400000000, 0.0351472200000000, -0.0609709700000000 ] - [ 0.0038226600000000, -0.0025088500000000, -0.0167745200000000 ] - [ 0.0027625200000000, 0.0024921400000000, -0.0020099000000000 ] - [ 0.0025946500000000, 0.0070361100000000, -0.0029756300000000 ] - [ 0.0026497100000000, 0.0033028200000000, -0.0024410400000000 ] - [ 0.0077894900000000, -0.0353998900000000, -0.0573718700000000 ] - [ 0.0028153000000000, -0.0354164700000000, -0.0608270400000000 ] - [ 0.0017701600000000, -0.0292627600000000, -0.0631899700000000 ] - [ 0.0031164400000000, -0.0349092400000000, -0.0610599800000000 ] - [ -0.0028729600000000, -0.0054991800000000, -0.0099821600000000 ] - [ 0.0006825500000000, -0.0039404300000000, -0.0105280200000000 ] - [ -0.0004607400000000, 0.0011115800000000, -0.0114535700000000 ] - [ -0.0010366000000000, 0.0009646000000000, -0.0115558300000000 ] - [ 0.0168600700000000, -0.1480896900000000, 0.0382568000000000 ] - [ 0.0004912500000000, -0.0024153200000000, -0.0111620400000000 ] - [ 0.0005949500000000, 0.0018096500000000, -0.0112389700000000 ] - [ 0.0003243500000000, -0.0018079600000000, -0.0113551100000000 ] - [ 0.0151491300000000, 0.0205305800000000, 0.0252181400000000 ] - [ -0.0014180700000000, 0.0140291200000000, 0.0279512200000000 ] - [ -0.0011975700000000, 0.0173226700000000, 0.0304143600000000 ] - [ 0.0002064100000000, 0.0139447500000000, 0.0278074500000000 ] - [ -0.0158163700000000, 0.0082527100000000, 0.0246267100000000 ] - [ 0.0008182400000000, 0.0106410400000000, 0.0271310900000000 ] - [ -0.0003988500000000, 0.0129663800000000, 0.0268426300000000 ] - [ -0.0018312000000000, 0.0116802900000000, 0.0269931500000000 ] - [ -0.0021001800000000, 0.0013746700000000, 0.0080940600000000 ] - [ -0.0014663100000000, -0.0017067700000000, -0.0003509000000000 ] - [ -0.0051397200000000, 0.0174013700000000, -0.0062882600000000 ] - [ -0.0013465500000000, -0.0013747200000000, -0.0005745400000000 ] - [ 0.0023058000000000, -0.0007820400000000, 0.0015002100000000 ] - [ 0.0006248900000000, -0.0021431500000000, -0.0002209900000000 ] - [ -0.0003450300000000, -0.0011414300000000, -0.0019414800000000 ] - [ 0.0017528100000000, -0.0008310600000000, -0.0017378800000000 ] - [ 0.0012545100000000, -0.0020318000000000, -0.0008159300000000 ] - [ 0.0000347600000000, -0.0015808800000000, -0.0009308300000000 ] - [ 0.0006946000000000, 0.0005992700000000, 0.0011294600000000 ] - [ 0.0006764300000000, 0.0001854000000000, 0.0006155600000000 ] - [ -0.0028092500000000, 0.0204131600000000, -0.0611434500000000 ] - [ -0.0009257900000000, 0.0215244400000000, -0.0611205500000000 ] - [ -0.0023932000000000, 0.0225793400000000, -0.0616683800000000 ] - [ -0.0007135900000000, 0.0220985400000000, -0.0611193200000000 ] - [ 0.0010279400000000, -0.0048457700000000, 0.0021458800000000 ] - [ 0.0012383400000000, -0.0039014700000000, 0.0045505800000000 ] - [ 0.0010461900000000, -0.0031046300000000, 0.0034931700000000 ] - [ 0.0012361700000000, -0.0037875200000000, 0.0046123600000000 ] - [ -0.0013191900000000, -0.0020169600000000, 0.0034644400000000 ] - [ -0.0011114300000000, -0.0022014600000000, 0.0027904400000000 ] - [ -0.0014655400000000, -0.0019188000000000, 0.0034316800000000 ] - [ -0.0008392700000000, -0.0018907800000000, 0.0033090900000000 ] - [ -0.0004488400000000, -0.0003757000000000, -0.0124028200000000 ] - [ -0.0007061700000000, 0.0000476000000000, -0.0118424500000000 ] - [ -0.0004358800000000, 0.0007893000000000, -0.0120484900000000 ] - [ -0.0008482400000000, 0.0006548000000000, -0.0118540100000000 ] - [ 0.0003230800000000, -0.0001237900000000, -0.0139603400000000 ] - [ 0.0004069400000000, 0.0018156100000000, -0.0116370100000000 ] - [ 0.0003134700000000, 0.0028786600000000, -0.0120181600000000 ] - [ 0.0004264800000000, 0.0020708100000000, -0.0116244400000000 ] - [ -0.0010485500000000, -0.0133906700000000, 0.0269168300000000 ] - [ -0.0000526400000000, -0.0137715100000000, 0.0274892700000000 ] - [ 0.0002352200000000, -0.0131877200000000, 0.0272287900000000 ] - [ -0.0004726500000000, -0.0137647500000000, 0.0275354700000000 ] - [ 0.0002409900000000, -0.0116007400000000, 0.0261713700000000 ] - [ -0.0014791300000000, -0.0114522300000000, 0.0265095600000000 ] - [ -0.0015749600000000, -0.0108965200000000, 0.0266659000000000 ] - [ -0.0005653600000000, -0.0111311600000000, 0.0266364100000000 ] - [ -0.0031032200000000, 0.0065122900000000, 0.0052097000000000 ] - [ -0.0013442100000000, 0.0015299000000000, -0.0006378200000000 ] - [ -0.0010905700000000, 0.0024672600000000, -0.0013136900000000 ] - [ -0.0014689700000000, 0.0014144000000000, -0.0007974500000000 ] - [ 0.0005880000000000, 0.0013212000000000, -0.0015366400000000 ] - [ 0.0012432600000000, 0.0017080100000000, -0.0007529600000000 ] - [ 0.0008356600000000, 0.0015047800000000, -0.0016690600000000 ] - [ 0.0004449000000000, 0.0012336600000000, -0.0021149400000000 ] - [ -0.0010477400000000, -0.0013540800000000, -0.0022642300000000 ] - [ 0.0007174900000000, 0.0002971300000000, -0.0002236500000000 ] - [ 0.0006910200000000, 0.0027726200000000, -0.0009668900000000 ] - [ 0.0006323300000000, 0.0016337200000000, -0.0007159700000000 ] - [ -0.0032593300000000, -0.0276108200000000, -0.0629022900000000 ] - [ -0.0008059200000000, -0.0223034400000000, -0.0610930900000000 ] - [ -0.0003699500000000, -0.0194785900000000, -0.0604001200000000 ] - [ -0.0027003900000000, -0.0208208000000000, -0.0608029100000000 ] - [ -0.0049817500000000, 0.0330748700000000, 0.0147743800000000 ] - [ 0.0012601200000000, 0.0038401400000000, 0.0049787200000000 ] - [ 0.0020334200000000, 0.0155943800000000, 0.0024177700000000 ] - [ 0.0011854600000000, 0.0037809400000000, 0.0048697100000000 ] - [ -0.0021872000000000, 0.0011855600000000, 0.0045226900000000 ] - [ -0.0001314800000000, 0.0017060200000000, 0.0044805700000000 ] - [ 0.0020225600000000, 0.0064346000000000, 0.0022684400000000 ] - [ -0.0044830600000000, 0.0045693400000000, 0.0044509600000000 ]- atom: 69 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0047157900000000, -0.0024772300000000, 0.0056819900000000 ] - [ 0.0006707500000000, 0.0050810100000000, 0.0052808700000000 ] - [ -0.0023806700000000, 0.0118684300000000, 0.0057873800000000 ] - [ 0.0020597700000000, 0.0074815500000000, 0.0053973500000000 ] - [ 0.0004577000000000, -0.0019313700000000, -0.0073729700000000 ] - [ -0.0016673800000000, -0.0022938200000000, -0.0052000400000000 ] - [ -0.0014010400000000, -0.0015125200000000, -0.0051305900000000 ] - [ -0.0014757200000000, -0.0019113900000000, -0.0049099100000000 ] - [ 0.0005394000000000, -0.0075044500000000, 0.0039112000000000 ] - [ 0.0019748200000000, -0.0066399900000000, 0.0046232900000000 ] - [ 0.0015691000000000, -0.0053094600000000, 0.0042472400000000 ] - [ 0.0017194600000000, -0.0058415700000000, 0.0044511800000000 ] - [ -0.0028829800000000, -0.0018116000000000, -0.0040822600000000 ] - [ -0.0006451000000000, 0.0014750400000000, -0.0050262700000000 ] - [ 0.0020167700000000, 0.0072817500000000, -0.0020789000000000 ] - [ -0.0017495200000000, 0.0025962900000000, -0.0045745300000000 ] - [ -0.0007019800000000, -0.0233152700000000, -0.0246764400000000 ] - [ -0.0158020800000000, -0.0185622100000000, -0.0239732200000000 ] - [ -0.0120554000000000, -0.0155094100000000, -0.0226392400000000 ] - [ -0.0086342900000000, -0.0153148900000000, -0.0240550400000000 ] - [ 0.0143093400000000, -0.0732837500000000, 0.0129487300000000 ] - [ 0.0096362100000000, -0.0153420600000000, -0.0233746700000000 ] - [ 0.0097760900000000, -0.0071074800000000, -0.0186887500000000 ] - [ 0.0091134500000000, -0.0150708800000000, -0.0230088700000000 ] - [ 0.0212021600000000, -0.0272206000000000, 0.0669500500000000 ] - [ 0.0197157000000000, -0.0280579700000000, 0.0680422400000000 ] - [ 0.0215346900000000, -0.0244287300000000, 0.0664766600000000 ] - [ 0.0185136600000000, -0.0252464100000000, 0.0662866500000000 ] - [ -0.0251291800000000, -0.0354425700000000, 0.0684066200000000 ] - [ -0.0220037700000000, -0.0235535600000000, 0.0682259400000000 ] - [ -0.0199888000000000, -0.0160567100000000, 0.0617487600000000 ] - [ -0.0222271800000000, -0.0225031700000000, 0.0683048100000000 ] - [ -0.0108397600000000, 0.0173292000000000, -0.0279494900000000 ] - [ -0.0087743800000000, 0.0175589800000000, -0.0261827800000000 ] - [ -0.0089969400000000, 0.0189083400000000, -0.0265713600000000 ] - [ -0.0104519400000000, 0.0179167700000000, -0.0261617800000000 ] - [ 0.0101374500000000, 0.0162425600000000, -0.0297366500000000 ] - [ 0.0091400300000000, 0.0149758900000000, -0.0238250000000000 ] - [ 0.0100910700000000, 0.0180482100000000, -0.0246637600000000 ] - [ 0.0094768700000000, 0.0153676800000000, -0.0240785500000000 ] - [ -0.0224729900000000, -0.0039245200000000, 0.0671636100000000 ] - [ -0.0219070600000000, 0.0226836900000000, 0.0685008600000000 ] - [ -0.0208489700000000, 0.0321182500000000, 0.0646112400000000 ] - [ -0.0226956700000000, 0.0233470300000000, 0.0680310800000000 ] - [ 0.0228289600000000, 0.0222948800000000, 0.0675435400000000 ] - [ 0.0204600100000000, 0.0242843100000000, 0.0670604600000000 ] - [ 0.0172233600000000, 0.0290578100000000, 0.0656716500000000 ] - [ 0.0208322600000000, 0.0283655500000000, 0.0655006700000000 ] - [ -0.0000593300000000, 0.0127586700000000, 0.0130065000000000 ] - [ 0.0026375400000000, -0.0025020900000000, -0.0018239800000000 ] - [ 0.0025354400000000, -0.0068281800000000, -0.0050081700000000 ] - [ 0.0027242100000000, -0.0032513100000000, -0.0025170400000000 ] - [ 0.0010368300000000, 0.0363133200000000, -0.0609435500000000 ] - [ 0.0023829100000000, 0.0353846100000000, -0.0608794400000000 ] - [ 0.0008328600000000, 0.0342440800000000, -0.0603514700000000 ] - [ 0.0031270800000000, 0.0350733500000000, -0.0608045500000000 ] - [ 0.0015285400000000, 0.0081492800000000, 0.0125816500000000 ] - [ 0.0026099800000000, 0.0030559500000000, -0.0021230500000000 ] - [ 0.0027788800000000, -0.0015203400000000, -0.0011286200000000 ] - [ 0.0027226800000000, 0.0022324400000000, -0.0016848900000000 ] - [ -0.0028123500000000, -0.0348866000000000, -0.0644310700000000 ] - [ 0.0022853100000000, -0.0348146100000000, -0.0609448600000000 ] - [ 0.0033109300000000, -0.0409809400000000, -0.0585764300000000 ] - [ 0.0019507800000000, -0.0353128200000000, -0.0607145400000000 ] - [ 0.0015580900000000, 0.0045559900000000, -0.0132656600000000 ] - [ -0.0020010600000000, 0.0030051600000000, -0.0127208900000000 ] - [ -0.0008562700000000, -0.0020699100000000, -0.0117997000000000 ] - [ -0.0002898800000000, -0.0019136200000000, -0.0116967700000000 ] - [ -0.0155918800000000, 0.1416600100000000, -0.0591923100000000 ] - [ 0.0003117000000000, -0.0016086600000000, -0.0117650100000000 ] - [ 0.0002104000000000, -0.0058462900000000, -0.0116912200000000 ] - [ 0.0004793400000000, -0.0022200700000000, -0.0115746000000000 ] - [ -0.0154962800000000, 0.0071113000000000, 0.0300390000000000 ] - [ 0.0009270100000000, 0.0135659200000000, 0.0273351100000000 ] - [ 0.0007042200000000, 0.0102546000000000, 0.0248521700000000 ] - [ -0.0007110400000000, 0.0136561000000000, 0.0274790000000000 ] - [ 0.0139949200000000, 0.0142188100000000, 0.0289375800000000 ] - [ -0.0026461500000000, 0.0119012500000000, 0.0264010100000000 ] - [ -0.0014521500000000, 0.0095770000000000, 0.0266835900000000 ] - [ 0.0000065500000000, 0.0108590900000000, 0.0265350100000000 ] - [ -0.0007961000000000, -0.0044670600000000, -0.0092735600000000 ] - [ -0.0014028300000000, -0.0013491800000000, -0.0007782600000000 ] - [ 0.0022786100000000, -0.0204431800000000, 0.0051841900000000 ] - [ -0.0015222400000000, -0.0016846800000000, -0.0005529300000000 ] - [ -0.0007248700000000, -0.0023542700000000, -0.0038893800000000 ] - [ 0.0009624200000000, -0.0009900200000000, -0.0021663300000000 ] - [ 0.0019270900000000, -0.0020075700000000, -0.0004412500000000 ] - [ -0.0001652300000000, -0.0023028100000000, -0.0006481000000000 ] - [ -0.0000231300000000, 0.0005614600000000, 0.0003963500000000 ] - [ 0.0011954100000000, 0.0001162200000000, 0.0005153400000000 ] - [ 0.0005350200000000, -0.0020764000000000, -0.0015590000000000 ] - [ 0.0005502100000000, -0.0016589900000000, -0.0010411900000000 ] - [ 0.0000851300000000, 0.0229306100000000, -0.0608341200000000 ] - [ -0.0017697700000000, 0.0218193400000000, -0.0608510700000000 ] - [ -0.0003159500000000, 0.0207590700000000, -0.0603008300000000 ] - [ -0.0019858600000000, 0.0212414600000000, -0.0608509800000000 ] - [ 0.0014149200000000, -0.0028148900000000, 0.0073009400000000 ] - [ 0.0012063000000000, -0.0037500200000000, 0.0049297900000000 ] - [ 0.0013905100000000, -0.0045546500000000, 0.0059683200000000 ] - [ 0.0012076100000000, -0.0038673400000000, 0.0048678900000000 ] - [ -0.0011608400000000, -0.0019930800000000, 0.0038677900000000 ] - [ -0.0013657800000000, -0.0018105800000000, 0.0045405800000000 ] - [ -0.0010130100000000, -0.0020948000000000, 0.0039019300000000 ] - [ -0.0016383700000000, -0.0021222100000000, 0.0040214000000000 ] - [ -0.0008692800000000, 0.0013270200000000, -0.0108551900000000 ] - [ -0.0006129300000000, 0.0009036100000000, -0.0114157800000000 ] - [ -0.0008825300000000, 0.0001550600000000, -0.0112124200000000 ] - [ -0.0004709100000000, 0.0002912400000000, -0.0114055800000000 ] - [ 0.0004755000000000, 0.0041464700000000, -0.0089920700000000 ] - [ 0.0003956600000000, 0.0022099800000000, -0.0112956300000000 ] - [ 0.0004866600000000, 0.0011401800000000, -0.0109217200000000 ] - [ 0.0003755500000000, 0.0019524200000000, -0.0113084900000000 ] - [ 0.0005335400000000, -0.0142012400000000, 0.0283627800000000 ] - [ -0.0004466500000000, -0.0138253900000000, 0.0277936800000000 ] - [ -0.0007403000000000, -0.0144184400000000, 0.0280488700000000 ] - [ -0.0000261000000000, -0.0138369400000000, 0.0277479600000000 ] - [ -0.0020712300000000, -0.0109392200000000, 0.0273527100000000 ] - [ -0.0003531800000000, -0.0110899000000000, 0.0270181500000000 ] - [ -0.0002624200000000, -0.0116529900000000, 0.0268620300000000 ] - [ -0.0012718600000000, -0.0114163300000000, 0.0268907500000000 ] - [ 0.0002631900000000, -0.0035131400000000, -0.0064513600000000 ] - [ -0.0015263300000000, 0.0015232400000000, -0.0004958100000000 ] - [ -0.0017822500000000, 0.0006037200000000, 0.0002015300000000 ] - [ -0.0014000500000000, 0.0016454800000000, -0.0003294500000000 ] - [ 0.0010024800000000, 0.0018025900000000, -0.0008588400000000 ] - [ 0.0003285100000000, 0.0014160800000000, -0.0016558200000000 ] - [ 0.0007474500000000, 0.0016365600000000, -0.0007110300000000 ] - [ 0.0011407400000000, 0.0019081100000000, -0.0002620200000000 ] - [ 0.0022847000000000, 0.0028525700000000, 0.0018501400000000 ] - [ 0.0005176100000000, 0.0011845200000000, -0.0002069500000000 ] - [ 0.0005386200000000, -0.0013185000000000, 0.0005520400000000 ] - [ 0.0005949400000000, -0.0001682500000000, 0.0002979200000000 ] - [ 0.0007102400000000, -0.0157515600000000, -0.0591515400000000 ] - [ -0.0019165600000000, -0.0210310000000000, -0.0608721100000000 ] - [ -0.0023489800000000, -0.0238651400000000, -0.0615610000000000 ] - [ 0.0000080200000000, -0.0225266300000000, -0.0611661100000000 ] - [ 0.0072656000000000, -0.0248555300000000, -0.0051278600000000 ] - [ 0.0011863900000000, 0.0038081100000000, 0.0045079000000000 ] - [ 0.0003801400000000, -0.0081009000000000, 0.0071062100000000 ] - [ 0.0012594500000000, 0.0038727600000000, 0.0046136800000000 ] - [ -0.0002944100000000, 0.0028104800000000, 0.0028217200000000 ] - [ -0.0023496300000000, 0.0022978500000000, 0.0028714700000000 ] - [ -0.0044978900000000, -0.0024143700000000, 0.0050651500000000 ] - [ 0.0020374100000000, -0.0005801100000000, 0.0028788200000000 ]- atom: 69 displacement: [ 0.0000055737063633, 0.0000000000000000, 0.0099999984466897 ] forces: - [ 0.0028014200000000, 0.0049923600000000, 0.0163290900000000 ] - [ 0.0012541700000000, 0.0062717600000000, 0.0061368000000000 ] - [ 0.0014663800000000, 0.0070326000000000, 0.0092286900000000 ] - [ 0.0015208800000000, 0.0063917700000000, 0.0058490200000000 ] - [ 0.0012397800000000, -0.0005731400000000, -0.0107549600000000 ] - [ -0.0017341400000000, -0.0020840900000000, -0.0058360500000000 ] - [ -0.0012350700000000, -0.0021890300000000, -0.0067206800000000 ] - [ -0.0015939700000000, -0.0020895500000000, -0.0053881300000000 ] - [ 0.0022940300000000, -0.0052015300000000, -0.0006489000000000 ] - [ 0.0015626200000000, -0.0060280200000000, 0.0034509500000000 ] - [ 0.0017236600000000, -0.0059788900000000, 0.0031552900000000 ] - [ 0.0017009200000000, -0.0062078900000000, 0.0041387800000000 ] - [ -0.0031471500000000, 0.0037776000000000, 0.0034597500000000 ] - [ -0.0017843700000000, 0.0020681500000000, -0.0041868100000000 ] - [ -0.0016881000000000, 0.0007733800000000, 0.0000857900000000 ] - [ -0.0017881800000000, 0.0019070100000000, -0.0039408300000000 ] - [ 0.0000444300000000, -0.0210739700000000, -0.0218811100000000 ] - [ -0.0200401900000000, -0.0152369100000000, -0.0230715100000000 ] - [ -0.0093404200000000, -0.0178289900000000, -0.0228972500000000 ] - [ -0.0105251500000000, -0.0176281700000000, -0.0246279200000000 ] - [ 0.0092607900000000, -0.0293389200000000, 0.0290804400000000 ] - [ 0.0087922500000000, -0.0154868200000000, -0.0227280100000000 ] - [ 0.0105064200000000, -0.0169623000000000, -0.0183807600000000 ] - [ 0.0090202200000000, -0.0152770400000000, -0.0228893500000000 ] - [ 0.0236910700000000, -0.0265150200000000, 0.0656499000000000 ] - [ 0.0179402600000000, -0.0279604400000000, 0.0655598900000000 ] - [ 0.0224835000000000, -0.0248487300000000, 0.0655919600000000 ] - [ 0.0178859100000000, -0.0257439900000000, 0.0647446000000000 ] - [ -0.0235628600000000, -0.0367453900000000, 0.0586421300000000 ] - [ -0.0223233400000000, -0.0233969100000000, 0.0678756800000000 ] - [ -0.0189427500000000, -0.0165208800000000, 0.0566029400000000 ] - [ -0.0224771400000000, -0.0227795600000000, 0.0679006000000000 ] - [ -0.0119079900000000, 0.0180572400000000, -0.0291858900000000 ] - [ -0.0076573400000000, 0.0187015000000000, -0.0270973300000000 ] - [ -0.0105392900000000, 0.0152492100000000, -0.0289755600000000 ] - [ -0.0081518000000000, 0.0169360600000000, -0.0269924000000000 ] - [ 0.0109646100000000, 0.0198960200000000, -0.0367189600000000 ] - [ 0.0091257400000000, 0.0153468700000000, -0.0244238700000000 ] - [ 0.0072753700000000, 0.0064219000000000, -0.0294222900000000 ] - [ 0.0089819600000000, 0.0147162100000000, -0.0243004600000000 ] - [ -0.0160642400000000, 0.0054081900000000, 0.0711230700000000 ] - [ -0.0229091700000000, 0.0227914600000000, 0.0688214500000000 ] - [ -0.0211778800000000, 0.0243362700000000, 0.0704179900000000 ] - [ -0.0228885300000000, 0.0229065600000000, 0.0685176600000000 ] - [ 0.0078799400000000, 0.0280207600000000, 0.0681939600000000 ] - [ 0.0273085200000000, 0.0240652800000000, 0.0690658600000000 ] - [ 0.0183259100000000, 0.0269527200000000, 0.0672594500000000 ] - [ 0.0205374900000000, 0.0260111600000000, 0.0679148100000000 ] - [ 0.0012053200000000, 0.0040626000000000, 0.0204255600000000 ] - [ 0.0027409100000000, -0.0026957400000000, -0.0019368900000000 ] - [ 0.0020382300000000, -0.0049270700000000, -0.0026794100000000 ] - [ 0.0027429300000000, -0.0030434600000000, -0.0022807700000000 ] - [ -0.0015195100000000, 0.0365443000000000, -0.0597777400000000 ] - [ 0.0032798500000000, 0.0354928800000000, -0.0605698600000000 ] - [ -0.0004231600000000, 0.0343481400000000, -0.0598701600000000 ] - [ 0.0034808200000000, 0.0352169800000000, -0.0605661400000000 ] - [ 0.0048967800000000, -0.0074710300000000, 0.0262337600000000 ] - [ 0.0027996800000000, 0.0022726400000000, -0.0018307700000000 ] - [ 0.0027004000000000, 0.0035446600000000, -0.0028259900000000 ] - [ 0.0027877800000000, 0.0027605600000000, -0.0020743000000000 ] - [ 0.0191179400000000, -0.0270686600000000, -0.0563124900000000 ] - [ 0.0003733500000000, -0.0343293700000000, -0.0614743100000000 ] - [ 0.0031639800000000, -0.0371302500000000, -0.0603633300000000 ] - [ 0.0026034600000000, -0.0350338500000000, -0.0610806600000000 ] - [ -0.0001342100000000, 0.0012621500000000, -0.0154116000000000 ] - [ 0.0000341000000000, 0.0006890600000000, -0.0143635200000000 ] - [ -0.0004546700000000, -0.0003399600000000, -0.0126039600000000 ] - [ -0.0005571400000000, -0.0003598400000000, -0.0121997500000000 ] - [ -0.0107243000000000, 0.0448384700000000, -0.1532937900000000 ] - [ 0.0005528500000000, -0.0017128500000000, -0.0123479000000000 ] - [ 0.0000122800000000, -0.0017810200000000, -0.0137379800000000 ] - [ 0.0004836500000000, -0.0019033000000000, -0.0118033300000000 ] - [ -0.0155985300000000, 0.0062584300000000, 0.0258012000000000 ] - [ 0.0024445800000000, 0.0128393100000000, 0.0269146800000000 ] - [ -0.0012276600000000, 0.0129123000000000, 0.0259396000000000 ] - [ 0.0000997400000000, 0.0137197800000000, 0.0274283600000000 ] - [ 0.0205658800000000, 0.0067821500000000, 0.0284670900000000 ] - [ -0.0026028300000000, 0.0117708700000000, 0.0260705500000000 ] - [ -0.0002600500000000, 0.0112819100000000, 0.0261745900000000 ] - [ -0.0008061600000000, 0.0113077700000000, 0.0264292200000000 ] - [ -0.0009588500000000, 0.0026638100000000, 0.0003695800000000 ] - [ -0.0013595200000000, -0.0014244500000000, -0.0008541900000000 ] - [ 0.0049602400000000, -0.0298741800000000, 0.0088952200000000 ] - [ -0.0014385900000000, -0.0017149300000000, -0.0006204700000000 ] - [ 0.0008850300000000, -0.0013711300000000, -0.0017161900000000 ] - [ 0.0004474900000000, -0.0009591700000000, -0.0021806900000000 ] - [ 0.0023051500000000, -0.0033866100000000, -0.0001666500000000 ] - [ -0.0001902700000000, -0.0022748100000000, -0.0010534500000000 ] - [ -0.0004620200000000, -0.0003136000000000, -0.0001977900000000 ] - [ 0.0015982200000000, 0.0000199900000000, 0.0009525400000000 ] - [ 0.0003510100000000, -0.0013885800000000, -0.0009066800000000 ] - [ 0.0008084200000000, -0.0010539900000000, -0.0002994000000000 ] - [ 0.0014004100000000, 0.0220615600000000, -0.0591420700000000 ] - [ -0.0023364200000000, 0.0213913100000000, -0.0604320100000000 ] - [ 0.0002563100000000, 0.0206980500000000, -0.0593901900000000 ] - [ -0.0020811300000000, 0.0212522000000000, -0.0606169000000000 ] - [ 0.0015114200000000, -0.0019958500000000, 0.0114122800000000 ] - [ 0.0012924600000000, -0.0036934100000000, 0.0052706000000000 ] - [ 0.0019819800000000, -0.0038592300000000, 0.0093807500000000 ] - [ 0.0013594100000000, -0.0036940100000000, 0.0051925700000000 ] - [ -0.0012029000000000, -0.0018254500000000, 0.0047485700000000 ] - [ -0.0015808400000000, -0.0016247000000000, 0.0054112100000000 ] - [ -0.0013199500000000, -0.0017148800000000, 0.0047162300000000 ] - [ -0.0017698800000000, -0.0020146600000000, 0.0050729100000000 ] - [ -0.0010488200000000, 0.0012615700000000, -0.0099137500000000 ] - [ -0.0008052200000000, 0.0007119200000000, -0.0106111100000000 ] - [ -0.0009247800000000, 0.0009678900000000, -0.0100034000000000 ] - [ -0.0006717700000000, 0.0007297800000000, -0.0105452600000000 ] - [ 0.0006809200000000, 0.0044960100000000, -0.0053229900000000 ] - [ 0.0004952700000000, 0.0021835100000000, -0.0109439300000000 ] - [ 0.0004061500000000, 0.0025667600000000, -0.0076887800000000 ] - [ 0.0004821800000000, 0.0021717100000000, -0.0109192200000000 ] - [ 0.0019659000000000, -0.0149416300000000, 0.0292350200000000 ] - [ -0.0006161300000000, -0.0140962800000000, 0.0280309300000000 ] - [ 0.0008984300000000, -0.0137077700000000, 0.0295857500000000 ] - [ -0.0005196400000000, -0.0138303600000000, 0.0280454700000000 ] - [ -0.0036233800000000, -0.0113218900000000, 0.0279263400000000 ] - [ -0.0001738800000000, -0.0111865500000000, 0.0272360100000000 ] - [ -0.0023767200000000, -0.0101517200000000, 0.0275309100000000 ] - [ -0.0002892300000000, -0.0108785200000000, 0.0271998200000000 ] - [ -0.0078438100000000, 0.0183684900000000, 0.0209211300000000 ] - [ -0.0012452900000000, 0.0018466400000000, -0.0001481300000000 ] - [ -0.0019709200000000, -0.0007077000000000, -0.0007752600000000 ] - [ -0.0013713200000000, 0.0014456500000000, -0.0004907400000000 ] - [ -0.0001645700000000, 0.0024652400000000, -0.0005037200000000 ] - [ 0.0023631000000000, 0.0033130700000000, 0.0019628000000000 ] - [ 0.0005954200000000, 0.0012241400000000, -0.0012857600000000 ] - [ 0.0010974000000000, 0.0015481600000000, -0.0007225300000000 ] - [ 0.0019251400000000, -0.0005001200000000, 0.0016922900000000 ] - [ -0.0001212100000000, 0.0001544700000000, 0.0000015800000000 ] - [ 0.0008949600000000, 0.0007922700000000, 0.0001502400000000 ] - [ 0.0004874600000000, 0.0008492100000000, -0.0003447400000000 ] - [ -0.0185404700000000, -0.0207148100000000, -0.0564505400000000 ] - [ 0.0014425100000000, -0.0223657100000000, -0.0617561400000000 ] - [ -0.0023240300000000, -0.0222089800000000, -0.0616959300000000 ] - [ -0.0004429900000000, -0.0219879400000000, -0.0612367700000000 ] - [ -0.0008971200000000, 0.0134408200000000, -0.0045277800000000 ] - [ 0.0012945000000000, 0.0040616400000000, 0.0039419600000000 ] - [ -0.0001596800000000, 0.0020673800000000, 0.0023323300000000 ] - [ 0.0013773800000000, 0.0038328200000000, 0.0044537900000000 ] - [ -0.0010702600000000, 0.0024058000000000, 0.0013320200000000 ] - [ -0.0008469200000000, 0.0029281800000000, 0.0005154700000000 ] - [ -0.0009179300000000, 0.0024689500000000, 0.0030744200000000 ] - [ 0.0001767600000000, 0.0009501700000000, 0.0026650100000000 ]- atom: 69 displacement: [ -0.0000055737063633, 0.0000000000000000, -0.0099999984466897 ] forces: - [ 0.0005404100000000, 0.0074668100000000, -0.0065706800000000 ] - [ 0.0022054500000000, 0.0062422000000000, 0.0035819700000000 ] - [ 0.0019839300000000, 0.0054844000000000, 0.0004712900000000 ] - [ 0.0019274700000000, 0.0061147700000000, 0.0038703000000000 ] - [ -0.0043295900000000, -0.0036081400000000, 0.0009502300000000 ] - [ -0.0013161600000000, -0.0020823000000000, -0.0039817600000000 ] - [ -0.0018232500000000, -0.0019740900000000, -0.0030992000000000 ] - [ -0.0014568300000000, -0.0020787800000000, -0.0044307000000000 ] - [ 0.0011908900000000, -0.0073016800000000, 0.0103640900000000 ] - [ 0.0018799600000000, -0.0064824600000000, 0.0062641000000000 ] - [ 0.0017408900000000, -0.0065287500000000, 0.0065630400000000 ] - [ 0.0017455500000000, -0.0063071700000000, 0.0055818900000000 ] - [ 0.0002258700000000, 0.0002137900000000, -0.0131546400000000 ] - [ -0.0012823200000000, 0.0021057000000000, -0.0056216500000000 ] - [ -0.0013385500000000, 0.0033907600000000, -0.0098851300000000 ] - [ -0.0012671200000000, 0.0022583200000000, -0.0058707400000000 ] - [ -0.0193126800000000, -0.0144163500000000, -0.0291333300000000 ] - [ 0.0007242900000000, -0.0202581200000000, -0.0279341600000000 ] - [ -0.0099385100000000, -0.0177024800000000, -0.0281117200000000 ] - [ -0.0087853100000000, -0.0179161900000000, -0.0263831600000000 ] - [ 0.0091099400000000, 0.0016107400000000, -0.0781684200000000 ] - [ 0.0098796900000000, -0.0148549500000000, -0.0243673200000000 ] - [ 0.0081795700000000, -0.0134427600000000, -0.0287579600000000 ] - [ 0.0096537400000000, -0.0150668000000000, -0.0242088100000000 ] - [ 0.0163348600000000, -0.0258283800000000, 0.0683041900000000 ] - [ 0.0221079300000000, -0.0243698600000000, 0.0683779700000000 ] - [ 0.0175353000000000, -0.0274981700000000, 0.0683618700000000 ] - [ 0.0221696900000000, -0.0265967300000000, 0.0692103900000000 ] - [ -0.0210250900000000, -0.0091393700000000, 0.0778500400000000 ] - [ -0.0222893400000000, -0.0226163400000000, 0.0686861400000000 ] - [ -0.0256860300000000, -0.0295521600000000, 0.0799942200000000 ] - [ -0.0221330300000000, -0.0232366900000000, 0.0686609500000000 ] - [ -0.0074105000000000, 0.0174673800000000, -0.0217860300000000 ] - [ -0.0116173400000000, 0.0168289700000000, -0.0238811900000000 ] - [ -0.0087702900000000, 0.0202460000000000, -0.0220088400000000 ] - [ -0.0111297500000000, 0.0185818300000000, -0.0239870600000000 ] - [ 0.0077190900000000, 0.0104808400000000, -0.0104260100000000 ] - [ 0.0095486200000000, 0.0149975200000000, -0.0226648600000000 ] - [ 0.0113892900000000, 0.0238451500000000, -0.0176477600000000 ] - [ 0.0096895400000000, 0.0156232700000000, -0.0227883400000000 ] - [ -0.0287378500000000, 0.0416115200000000, 0.0673853900000000 ] - [ -0.0217040000000000, 0.0232183300000000, 0.0677477000000000 ] - [ -0.0234365600000000, 0.0216298800000000, 0.0662125300000000 ] - [ -0.0217215900000000, 0.0231033800000000, 0.0680545200000000 ] - [ 0.0320848400000000, 0.0243522100000000, 0.0657939300000000 ] - [ 0.0127329300000000, 0.0282781200000000, 0.0649301800000000 ] - [ 0.0217332900000000, 0.0253705400000000, 0.0667258700000000 ] - [ 0.0194938500000000, 0.0263033700000000, 0.0660872600000000 ] - [ 0.0041892500000000, -0.0096130700000000, -0.0248912100000000 ] - [ 0.0026346600000000, -0.0028384000000000, -0.0021934800000000 ] - [ 0.0033359100000000, -0.0005745000000000, -0.0014227000000000 ] - [ 0.0026326800000000, -0.0024883600000000, -0.0018476800000000 ] - [ 0.0066075100000000, 0.0336675500000000, -0.0619904800000000 ] - [ 0.0017893100000000, 0.0347205200000000, -0.0612085100000000 ] - [ 0.0055117000000000, 0.0358745400000000, -0.0619056000000000 ] - [ 0.0015828900000000, 0.0349973700000000, -0.0612128700000000 ] - [ 0.0005545600000000, 0.0127812200000000, -0.0298892600000000 ] - [ 0.0025776100000000, 0.0032624900000000, -0.0023063300000000 ] - [ 0.0026785200000000, 0.0020300600000000, -0.0013457000000000 ] - [ 0.0025889300000000, 0.0027809400000000, -0.0020642200000000 ] - [ -0.0138551100000000, -0.0430493500000000, -0.0654442800000000 ] - [ 0.0046889900000000, -0.0358788900000000, -0.0603088000000000 ] - [ 0.0018984000000000, -0.0330341800000000, -0.0614408600000000 ] - [ 0.0024741800000000, -0.0351775800000000, -0.0607043800000000 ] - [ -0.0012221700000000, -0.0022474900000000, -0.0078476500000000 ] - [ -0.0013277400000000, -0.0016754700000000, -0.0088886100000000 ] - [ -0.0008652100000000, -0.0006114500000000, -0.0106463100000000 ] - [ -0.0007581800000000, -0.0005874300000000, -0.0110532500000000 ] - [ 0.0121653800000000, -0.0526049500000000, 0.1299498000000000 ] - [ 0.0002499100000000, -0.0023173300000000, -0.0105867400000000 ] - [ 0.0007861100000000, -0.0022344700000000, -0.0091961100000000 ] - [ 0.0003182500000000, -0.0021230200000000, -0.0111303900000000 ] - [ 0.0151301100000000, 0.0213241000000000, 0.0295531900000000 ] - [ -0.0029412100000000, 0.0147611100000000, 0.0283774200000000 ] - [ 0.0007123200000000, 0.0147138600000000, 0.0293701300000000 ] - [ -0.0005955600000000, 0.0138841200000000, 0.0278642000000000 ] - [ -0.0224804900000000, 0.0157338900000000, 0.0251571700000000 ] - [ 0.0007656000000000, 0.0107660600000000, 0.0274643900000000 ] - [ -0.0015745400000000, 0.0112669100000000, 0.0273622100000000 ] - [ -0.0010333200000000, 0.0112349200000000, 0.0271047600000000 ] - [ -0.0019304200000000, -0.0057134500000000, -0.0014187100000000 ] - [ -0.0015124100000000, -0.0016360100000000, -0.0002674400000000 ] - [ -0.0079232400000000, 0.0270975100000000, -0.0101515800000000 ] - [ -0.0014338400000000, -0.0013454500000000, -0.0005013900000000 ] - [ 0.0007194800000000, -0.0017557200000000, -0.0006308500000000 ] - [ 0.0011405800000000, -0.0021791100000000, -0.0001895800000000 ] - [ -0.0007206400000000, 0.0002463500000000, -0.0022087100000000 ] - [ 0.0017775400000000, -0.0008696800000000, -0.0013169500000000 ] - [ 0.0016915600000000, -0.0011524400000000, -0.0002172900000000 ] - [ -0.0003673200000000, -0.0014852200000000, -0.0013729100000000 ] - [ 0.0008789800000000, -0.0000710800000000, 0.0004908600000000 ] - [ 0.0004206000000000, -0.0004050200000000, -0.0001177700000000 ] - [ -0.0041311700000000, 0.0212682900000000, -0.0628172400000000 ] - [ -0.0003632000000000, 0.0219492400000000, -0.0615361200000000 ] - [ -0.0029799500000000, 0.0226475200000000, -0.0625822600000000 ] - [ -0.0006184000000000, 0.0220901300000000, -0.0613517000000000 ] - [ 0.0009327500000000, -0.0056929800000000, -0.0019112000000000 ] - [ 0.0011544600000000, -0.0039589200000000, 0.0042086000000000 ] - [ 0.0004629400000000, -0.0037736300000000, 0.0001007700000000 ] - [ 0.0010881900000000, -0.0039576800000000, 0.0042868400000000 ] - [ -0.0012826100000000, -0.0021893600000000, 0.0025926300000000 ] - [ -0.0008959900000000, -0.0023929600000000, 0.0019245300000000 ] - [ -0.0011665100000000, -0.0022961000000000, 0.0026225800000000 ] - [ -0.0007043600000000, -0.0019967800000000, 0.0022654800000000 ] - [ -0.0002629400000000, -0.0003121200000000, -0.0133376700000000 ] - [ -0.0005194300000000, 0.0002418800000000, -0.0126362200000000 ] - [ -0.0003903300000000, -0.0000082500000000, -0.0132452600000000 ] - [ -0.0006510100000000, 0.0002272500000000, -0.0127046000000000 ] - [ 0.0001185600000000, -0.0004715900000000, -0.0176050500000000 ] - [ 0.0003077000000000, 0.0018431800000000, -0.0119889200000000 ] - [ 0.0003944400000000, 0.0014701800000000, -0.0152495600000000 ] - [ 0.0003205500000000, 0.0018566900000000, -0.0120135100000000 ] - [ -0.0024449300000000, -0.0126688900000000, 0.0260563500000000 ] - [ 0.0001081000000000, -0.0135092400000000, 0.0272592900000000 ] - [ -0.0013930800000000, -0.0138821800000000, 0.0257054200000000 ] - [ 0.0000120700000000, -0.0137730100000000, 0.0272446500000000 ] - [ 0.0017580700000000, -0.0112188000000000, 0.0256044900000000 ] - [ -0.0016533300000000, -0.0113543900000000, 0.0262948700000000 ] - [ 0.0005280700000000, -0.0123846000000000, 0.0259988400000000 ] - [ -0.0015352900000000, -0.0116582400000000, 0.0263322900000000 ] - [ 0.0048773500000000, -0.0151519700000000, -0.0217458900000000 ] - [ -0.0016240500000000, 0.0012134100000000, -0.0009762000000000 ] - [ -0.0009054400000000, 0.0037300400000000, -0.0003755400000000 ] - [ -0.0014995500000000, 0.0016108000000000, -0.0006376200000000 ] - [ 0.0017459100000000, 0.0006689400000000, -0.0018849300000000 ] - [ -0.0007652600000000, -0.0001712800000000, -0.0043265000000000 ] - [ 0.0009887400000000, 0.0019037000000000, -0.0011072800000000 ] - [ 0.0004906600000000, 0.0015780800000000, -0.0016694000000000 ] - [ -0.0007031900000000, 0.0019535500000000, -0.0021388200000000 ] - [ 0.0013463400000000, 0.0013150100000000, -0.0004411700000000 ] - [ 0.0003314200000000, 0.0006966200000000, -0.0005929800000000 ] - [ 0.0007404800000000, 0.0006308600000000, -0.0000929500000000 ] - [ 0.0156497800000000, -0.0226466100000000, -0.0655477700000000 ] - [ -0.0041331900000000, -0.0209798800000000, -0.0602194400000000 ] - [ -0.0003825100000000, -0.0211249500000000, -0.0602811300000000 ] - [ -0.0022698100000000, -0.0213480300000000, -0.0607342500000000 ] - [ 0.0033520400000000, -0.0058900900000000, 0.0139278700000000 ] - [ 0.0011510100000000, 0.0035929500000000, 0.0055340600000000 ] - [ 0.0025907400000000, 0.0056742500000000, 0.0071113600000000 ] - [ 0.0010689500000000, 0.0038215100000000, 0.0050250700000000 ] - [ -0.0014058200000000, 0.0016083400000000, 0.0059989200000000 ] - [ -0.0016302300000000, 0.0010887400000000, 0.0068096100000000 ] - [ -0.0015140700000000, 0.0016125100000000, 0.0042369400000000 ] - [ -0.0026689700000000, 0.0030773600000000, 0.0046736300000000 ]- atom: 73 displacement: [ 0.0099999993466229, 0.0000000000000000, -0.0000036149054082 ] forces: - [ -0.0013425800000000, 0.0004355600000000, 0.0070659800000000 ] - [ -0.0016514300000000, 0.0144098400000000, 0.0024289100000000 ] - [ -0.0026791800000000, 0.0121046500000000, 0.0073061200000000 ] - [ -0.0030189300000000, -0.0006334100000000, 0.0022962300000000 ] - [ 0.0073947400000000, -0.0002755900000000, -0.0063857300000000 ] - [ -0.0041247600000000, -0.0024415000000000, -0.0045688400000000 ] - [ 0.0012061600000000, -0.0025584700000000, -0.0051621500000000 ] - [ -0.0031448800000000, -0.0022343800000000, -0.0048403400000000 ] - [ -0.0001813400000000, -0.0056726800000000, 0.0024480300000000 ] - [ 0.0006934500000000, -0.0060668800000000, 0.0064338900000000 ] - [ 0.0007381600000000, -0.0065777100000000, 0.0041885800000000 ] - [ 0.0015082700000000, -0.0065808400000000, 0.0053739200000000 ] - [ 0.0074166900000000, 0.0021368700000000, -0.0048731100000000 ] - [ -0.0047355300000000, 0.0024043800000000, -0.0049622600000000 ] - [ 0.0143674600000000, 0.0020911800000000, -0.0034842200000000 ] - [ -0.0043425300000000, 0.0020777700000000, -0.0049002100000000 ] - [ 0.0437453400000000, -0.0348479000000000, -0.0334213800000000 ] - [ -0.0300156400000000, -0.0128311900000000, -0.0246093400000000 ] - [ -0.0062230500000000, -0.0184664800000000, -0.0259155400000000 ] - [ -0.0129968200000000, -0.0176031900000000, -0.0254879800000000 ] - [ 0.0524184400000000, -0.0044371000000000, -0.0169728400000000 ] - [ -0.0139712500000000, -0.0205911900000000, -0.0233807000000000 ] - [ 0.0118859200000000, -0.0156188100000000, -0.0223470700000000 ] - [ 0.0067803700000000, -0.0150373500000000, -0.0233378400000000 ] - [ 0.0270974500000000, -0.0116173700000000, 0.0746630600000000 ] - [ 0.0129395000000000, -0.0293580100000000, 0.0656031000000000 ] - [ 0.0316050600000000, -0.0332490500000000, 0.0823674200000000 ] - [ 0.0145556300000000, -0.0257290000000000, 0.0645699300000000 ] - [ -0.0190419300000000, -0.0422109300000000, 0.0595034700000000 ] - [ -0.0269005900000000, -0.0188483900000000, 0.0704561400000000 ] - [ -0.0123721600000000, -0.0158402100000000, 0.0555045200000000 ] - [ -0.0274994400000000, -0.0240596400000000, 0.0710714600000000 ] - [ -0.0074112400000000, 0.0194017800000000, -0.0266936200000000 ] - [ -0.0121015200000000, 0.0170659600000000, -0.0256667700000000 ] - [ -0.0068374200000000, 0.0163131700000000, -0.0252908400000000 ] - [ -0.0119367400000000, 0.0177813000000000, -0.0256459800000000 ] - [ 0.0107330000000000, 0.0139371200000000, -0.0244948000000000 ] - [ 0.0078663000000000, 0.0158855600000000, -0.0237799800000000 ] - [ 0.0112390900000000, 0.0159177500000000, -0.0242642500000000 ] - [ 0.0076103600000000, 0.0149127900000000, -0.0234694900000000 ] - [ -0.0144058800000000, 0.0213870400000000, 0.0812922800000000 ] - [ -0.0287990600000000, 0.0225485100000000, 0.0647438400000000 ] - [ -0.0197006200000000, 0.0233619000000000, 0.0692775900000000 ] - [ -0.0248312600000000, 0.0230263500000000, 0.0673475800000000 ] - [ 0.0287520500000000, 0.0290980200000000, 0.0500787400000000 ] - [ 0.0141140400000000, 0.0268378300000000, 0.0697682300000000 ] - [ 0.0231774800000000, 0.0257223300000000, 0.0657142100000000 ] - [ 0.0170705800000000, 0.0263879500000000, 0.0677114300000000 ] - [ 0.0018146600000000, 0.0193282400000000, 0.0262212000000000 ] - [ 0.0056547100000000, -0.0052180000000000, -0.0061614800000000 ] - [ 0.0013903200000000, -0.0043350800000000, -0.0020105200000000 ] - [ 0.0035442300000000, -0.0024624600000000, -0.0024406600000000 ] - [ -0.0101490800000000, 0.0355117500000000, -0.0608860300000000 ] - [ 0.0080641400000000, 0.0351847800000000, -0.0608228300000000 ] - [ -0.0086421300000000, 0.0340873000000000, -0.0608842500000000 ] - [ 0.0072603300000000, 0.0352794700000000, -0.0608257900000000 ] - [ 0.0010189200000000, 0.0043296900000000, -0.0031969200000000 ] - [ 0.0036995400000000, 0.0019682700000000, -0.0014332800000000 ] - [ 0.0016628500000000, 0.0025453300000000, -0.0015953300000000 ] - [ 0.0033227000000000, 0.0028176700000000, -0.0021596000000000 ] - [ -0.0096268700000000, -0.0343156800000000, -0.0610560700000000 ] - [ 0.0079877500000000, -0.0352285800000000, -0.0607864000000000 ] - [ -0.0010587800000000, -0.0350300200000000, -0.0609047800000000 ] - [ 0.0053736000000000, -0.0352807000000000, -0.0608094700000000 ] - [ 0.0022558500000000, -0.0174714100000000, 0.0050719700000000 ] - [ 0.0024118000000000, 0.0006744200000000, -0.0140402600000000 ] - [ -0.0019582200000000, 0.0004933800000000, -0.0107623000000000 ] - [ 0.0005068900000000, -0.0007073000000000, -0.0120357100000000 ] - [ 0.0041388300000000, 0.0132505700000000, -0.0267653300000000 ] - [ 0.0042369600000000, -0.0031890900000000, -0.0087626900000000 ] - [ -0.0005485900000000, -0.0029909900000000, -0.0124235200000000 ] - [ 0.0016378300000000, -0.0015496700000000, -0.0111178800000000 ] - [ -0.2481515900000000, 0.0182229400000000, 0.0236933200000000 ] - [ 0.0122674200000000, 0.0137459800000000, 0.0279619600000000 ] - [ -0.0037644700000000, 0.0139400400000000, 0.0275161900000000 ] - [ 0.0022490500000000, 0.0136768400000000, 0.0275853100000000 ] - [ 0.0389707000000000, 0.0157647500000000, 0.0223317200000000 ] - [ 0.0517000300000000, 0.0036765200000000, 0.0294364400000000 ] - [ 0.0001763100000000, 0.0105551700000000, 0.0268711800000000 ] - [ -0.0008376500000000, 0.0121659000000000, 0.0265698100000000 ] - [ -0.0018829500000000, 0.0010777600000000, -0.0013792700000000 ] - [ -0.0003239100000000, -0.0024932100000000, -0.0013786800000000 ] - [ 0.0096452500000000, -0.0205296700000000, 0.0151176000000000 ] - [ 0.0017769100000000, 0.0013130200000000, -0.0031296900000000 ] - [ 0.0019844800000000, -0.0008299500000000, -0.0004571300000000 ] - [ -0.0002900900000000, -0.0033307800000000, -0.0023038300000000 ] - [ 0.0035037700000000, -0.0039138500000000, 0.0011140100000000 ] - [ 0.0131535700000000, 0.0204816300000000, -0.0208133300000000 ] - [ 0.0003172200000000, -0.0191744100000000, -0.0233716800000000 ] - [ 0.0029353600000000, 0.0003085200000000, 0.0020598200000000 ] - [ -0.0005014700000000, 0.0009050600000000, -0.0003781800000000 ] - [ 0.0013483100000000, -0.0008786000000000, 0.0001141200000000 ] - [ 0.0038645100000000, 0.0242788200000000, -0.0590573100000000 ] - [ -0.0003035000000000, 0.0191546100000000, -0.0623817400000000 ] - [ 0.0006442500000000, 0.0209047200000000, -0.0597975000000000 ] - [ 0.0001038000000000, 0.0226096900000000, -0.0623303700000000 ] - [ 0.0009668600000000, -0.0015620300000000, 0.0073403900000000 ] - [ 0.0019695400000000, -0.0043156900000000, 0.0043374800000000 ] - [ 0.0002172500000000, -0.0045548800000000, 0.0063510400000000 ] - [ 0.0021237500000000, -0.0035164400000000, 0.0043625800000000 ] - [ -0.0001186100000000, -0.0017348800000000, 0.0039422500000000 ] - [ -0.0021774600000000, -0.0028426400000000, 0.0028156300000000 ] - [ -0.0002130000000000, -0.0023037300000000, 0.0039371900000000 ] - [ -0.0025114600000000, -0.0019743300000000, 0.0018352800000000 ] - [ -0.0017755100000000, 0.0000372600000000, -0.0126948100000000 ] - [ 0.0003633200000000, 0.0005061900000000, -0.0113329400000000 ] - [ -0.0016729400000000, 0.0015454200000000, -0.0128480200000000 ] - [ 0.0001600100000000, 0.0003224300000000, -0.0114120000000000 ] - [ -0.0002854000000000, 0.0027970800000000, -0.0092728000000000 ] - [ 0.0011182500000000, 0.0018111300000000, -0.0118330200000000 ] - [ -0.0004161400000000, 0.0015169200000000, -0.0103274500000000 ] - [ 0.0011184900000000, 0.0022316200000000, -0.0117359800000000 ] - [ -0.0029521300000000, -0.0139914400000000, 0.0278881100000000 ] - [ 0.0016947400000000, -0.0137315000000000, 0.0276617900000000 ] - [ -0.0029597200000000, -0.0141571500000000, 0.0279516700000000 ] - [ 0.0015468700000000, -0.0136341700000000, 0.0275851800000000 ] - [ 0.0000448700000000, -0.0108694600000000, 0.0270461400000000 ] - [ -0.0010087500000000, -0.0116897600000000, 0.0267283800000000 ] - [ -0.0002546500000000, -0.0112274600000000, 0.0268986900000000 ] - [ -0.0007998700000000, -0.0111438500000000, 0.0267092700000000 ] - [ -0.0018881800000000, 0.0004177100000000, -0.0019290000000000 ] - [ -0.0007860500000000, 0.0021266800000000, -0.0001798300000000 ] - [ -0.0015727300000000, 0.0020548300000000, -0.0000362000000000 ] - [ -0.0011125300000000, 0.0014707800000000, -0.0006958600000000 ] - [ 0.0014983300000000, 0.0011559600000000, -0.0012799400000000 ] - [ 0.0004948400000000, 0.0030535300000000, 0.0013674400000000 ] - [ 0.0012781400000000, 0.0016326900000000, -0.0009064300000000 ] - [ 0.0004514400000000, 0.0013266800000000, -0.0014286100000000 ] - [ -0.0004831800000000, -0.0016644400000000, 0.0020779000000000 ] - [ 0.0014427400000000, 0.0010955900000000, -0.0003810200000000 ] - [ -0.0005999100000000, 0.0010979800000000, -0.0009184800000000 ] - [ 0.0011696400000000, 0.0006993100000000, -0.0000480200000000 ] - [ 0.0008158000000000, -0.0221372700000000, -0.0635930700000000 ] - [ 0.0013568800000000, -0.0213840500000000, -0.0576410400000000 ] - [ -0.0008717700000000, -0.0228940200000000, -0.0620231300000000 ] - [ -0.0014465300000000, -0.0203154500000000, -0.0598272800000000 ] - [ 0.0119641200000000, 0.0010850700000000, -0.0116110800000000 ] - [ 0.0044774500000000, 0.0039621200000000, 0.0066805000000000 ] - [ -0.0003241100000000, 0.0049989800000000, 0.0036501600000000 ] - [ 0.0032055800000000, 0.0021670000000000, 0.0055596000000000 ] - [ 0.0012872600000000, 0.0020333200000000, 0.0018775800000000 ] - [ 0.0106422600000000, 0.0056608200000000, 0.0255832300000000 ] - [ 0.0003867900000000, 0.0032310100000000, 0.0029808100000000 ] - [ -0.0027978600000000, 0.0004247700000000, 0.0045234900000000 ]- atom: 73 displacement: [ -0.0099999993466229, 0.0000000000000000, 0.0000036149054082 ] forces: - [ 0.0047764500000000, 0.0120896900000000, 0.0026350000000000 ] - [ 0.0051206400000000, -0.0018739900000000, 0.0072631100000000 ] - [ 0.0060998900000000, 0.0003633300000000, 0.0023968500000000 ] - [ 0.0065007200000000, 0.0131062500000000, 0.0074112600000000 ] - [ -0.0104613200000000, -0.0039634800000000, -0.0034571700000000 ] - [ 0.0010745800000000, -0.0017378400000000, -0.0052266000000000 ] - [ -0.0042572800000000, -0.0015779500000000, -0.0046429700000000 ] - [ 0.0000951500000000, -0.0019290000000000, -0.0049662200000000 ] - [ 0.0036221000000000, -0.0068442700000000, 0.0072979900000000 ] - [ 0.0027686900000000, -0.0064479500000000, 0.0033081400000000 ] - [ 0.0026968300000000, -0.0059102500000000, 0.0055440000000000 ] - [ 0.0019542600000000, -0.0059095400000000, 0.0043552100000000 ] - [ -0.0104701500000000, 0.0020274200000000, -0.0049320400000000 ] - [ 0.0016824700000000, 0.0017805800000000, -0.0048541200000000 ] - [ -0.0175197400000000, 0.0023293700000000, -0.0059909400000000 ] - [ 0.0012932100000000, 0.0020801100000000, -0.0049206100000000 ] - [ -0.0563300700000000, -0.0032521700000000, -0.0185755100000000 ] - [ 0.0107946800000000, -0.0227133900000000, -0.0263954000000000 ] - [ -0.0130403400000000, -0.0169979100000000, -0.0251078100000000 ] - [ -0.0063122300000000, -0.0179078200000000, -0.0255048100000000 ] - [ -0.0396339600000000, -0.0279865200000000, -0.0310991700000000 ] - [ 0.0325339800000000, -0.0097840400000000, -0.0237338900000000 ] - [ 0.0067637900000000, -0.0146758200000000, -0.0248040900000000 ] - [ 0.0119115000000000, -0.0152958900000000, -0.0237781300000000 ] - [ 0.0129133500000000, -0.0406705800000000, 0.0593276400000000 ] - [ 0.0271006400000000, -0.0229562800000000, 0.0683778700000000 ] - [ 0.0085552600000000, -0.0191121900000000, 0.0516616600000000 ] - [ 0.0254687400000000, -0.0266257700000000, 0.0694175900000000 ] - [ -0.0255346600000000, -0.0036670000000000, 0.0771212900000000 ] - [ -0.0177018100000000, -0.0271270800000000, 0.0661367200000000 ] - [ -0.0323574200000000, -0.0302021400000000, 0.0811479000000000 ] - [ -0.0170953600000000, -0.0219653900000000, 0.0655220400000000 ] - [ -0.0118704000000000, 0.0161236500000000, -0.0242564700000000 ] - [ -0.0072040600000000, 0.0184565900000000, -0.0253075600000000 ] - [ -0.0124249300000000, 0.0191967900000000, -0.0256494700000000 ] - [ -0.0073828800000000, 0.0177318200000000, -0.0253338900000000 ] - [ 0.0079334200000000, 0.0164158200000000, -0.0225731500000000 ] - [ 0.0108220200000000, 0.0144621600000000, -0.0233214300000000 ] - [ 0.0074100300000000, 0.0144050900000000, -0.0227889400000000 ] - [ 0.0110855900000000, 0.0154258300000000, -0.0236344200000000 ] - [ -0.0303328500000000, 0.0245930600000000, 0.0552626400000000 ] - [ -0.0157844000000000, 0.0234658000000000, 0.0718061400000000 ] - [ -0.0249346400000000, 0.0226989400000000, 0.0672992700000000 ] - [ -0.0197583900000000, 0.0229877300000000, 0.0692254300000000 ] - [ 0.0114387800000000, 0.0232319600000000, 0.0838668900000000 ] - [ 0.0258971200000000, 0.0255103800000000, 0.0641731600000000 ] - [ 0.0168896300000000, 0.0266592000000000, 0.0682671200000000 ] - [ 0.0229402500000000, 0.0259625000000000, 0.0662540100000000 ] - [ 0.0037181200000000, -0.0250858700000000, -0.0307000100000000 ] - [ -0.0002730800000000, -0.0003419500000000, 0.0020005900000000 ] - [ 0.0039912200000000, -0.0012004000000000, -0.0021105800000000 ] - [ 0.0018240200000000, -0.0030729300000000, -0.0016860000000000 ] - [ 0.0152427600000000, 0.0346959500000000, -0.0608911700000000 ] - [ -0.0029957200000000, 0.0350246600000000, -0.0609626300000000 ] - [ 0.0137055800000000, 0.0360487700000000, -0.0608166500000000 ] - [ -0.0021932000000000, 0.0349428200000000, -0.0609550300000000 ] - [ 0.0043616200000000, 0.0012276900000000, -0.0009419100000000 ] - [ 0.0016680700000000, 0.0035682500000000, -0.0026919400000000 ] - [ 0.0037911500000000, 0.0029532600000000, -0.0026167100000000 ] - [ 0.0020435600000000, 0.0027233500000000, -0.0019659000000000 ] - [ 0.0146805200000000, -0.0357952400000000, -0.0608615400000000 ] - [ -0.0029193500000000, -0.0349925100000000, -0.0609857900000000 ] - [ 0.0061225900000000, -0.0352033300000000, -0.0608771800000000 ] - [ -0.0003028300000000, -0.0349438600000000, -0.0609685600000000 ] - [ -0.0036941600000000, 0.0164013000000000, -0.0282086300000000 ] - [ -0.0037378900000000, -0.0016405400000000, -0.0091913400000000 ] - [ 0.0005895600000000, -0.0015107400000000, -0.0124727400000000 ] - [ -0.0018218400000000, -0.0002448800000000, -0.0112153600000000 ] - [ -0.0032396000000000, -0.0174043000000000, 0.0039669200000000 ] - [ -0.0034237000000000, -0.0008524200000000, -0.0141443300000000 ] - [ 0.0014061400000000, -0.0010958500000000, -0.0104856200000000 ] - [ -0.0008413100000000, -0.0024755300000000, -0.0118110700000000 ] - [ 0.2467386500000000, 0.0138420600000000, 0.0333442400000000 ] - [ -0.0127664200000000, 0.0138770800000000, 0.0273466900000000 ] - [ 0.0032611100000000, 0.0136534500000000, 0.0277774900000000 ] - [ -0.0027520900000000, 0.0139205400000000, 0.0277037200000000 ] - [ -0.0412271400000000, 0.0067287000000000, 0.0312633200000000 ] - [ -0.0529117700000000, 0.0188020100000000, 0.0241636300000000 ] - [ -0.0019904500000000, 0.0119854100000000, 0.0266633500000000 ] - [ -0.0010218600000000, 0.0103761000000000, 0.0269650200000000 ] - [ -0.0009831900000000, -0.0041664800000000, 0.0002757500000000 ] - [ -0.0025479900000000, -0.0005773300000000, 0.0002586200000000 ] - [ -0.0126571200000000, 0.0177525000000000, -0.0164150200000000 ] - [ -0.0046401600000000, -0.0043392900000000, 0.0019867300000000 ] - [ -0.0003969200000000, -0.0023155800000000, -0.0019200600000000 ] - [ 0.0018719800000000, 0.0001705100000000, -0.0000615600000000 ] - [ -0.0019250700000000, 0.0008055300000000, -0.0035135700000000 ] - [ -0.0114208200000000, -0.0233359200000000, 0.0182440300000000 ] - [ 0.0007906700000000, 0.0175995600000000, 0.0227555100000000 ] - [ -0.0017140600000000, -0.0017883900000000, -0.0025025900000000 ] - [ 0.0017226900000000, -0.0023781600000000, -0.0000452200000000 ] - [ -0.0001174700000000, -0.0005886500000000, -0.0005384500000000 ] - [ -0.0066033500000000, 0.0190474900000000, -0.0629318600000000 ] - [ -0.0023951300000000, 0.0241774600000000, -0.0596014600000000 ] - [ -0.0033354400000000, 0.0224369100000000, -0.0621781100000000 ] - [ -0.0028356200000000, 0.0207288700000000, -0.0596435700000000 ] - [ 0.0014705200000000, -0.0061117300000000, 0.0021068200000000 ] - [ 0.0004700800000000, -0.0033455900000000, 0.0051301600000000 ] - [ 0.0022368900000000, -0.0030826100000000, 0.0031127600000000 ] - [ 0.0003160200000000, -0.0041303800000000, 0.0051108500000000 ] - [ -0.0023590100000000, -0.0022870200000000, 0.0033829600000000 ] - [ -0.0002983100000000, -0.0011819900000000, 0.0044993900000000 ] - [ -0.0022628200000000, -0.0017061500000000, 0.0033925900000000 ] - [ 0.0000225800000000, -0.0020273100000000, 0.0054923600000000 ] - [ 0.0004541400000000, 0.0009126900000000, -0.0105748100000000 ] - [ -0.0016809800000000, 0.0004450700000000, -0.0119288900000000 ] - [ 0.0003429000000000, -0.0005990000000000, -0.0104110000000000 ] - [ -0.0014761500000000, 0.0006296900000000, -0.0118499500000000 ] - [ 0.0010901500000000, 0.0012234300000000, -0.0136819000000000 ] - [ -0.0003187700000000, 0.0022130100000000, -0.0111071900000000 ] - [ 0.0012288300000000, 0.0025012700000000, -0.0126177500000000 ] - [ -0.0003212500000000, 0.0017937500000000, -0.0112027700000000 ] - [ 0.0024469300000000, -0.0136115600000000, 0.0273942200000000 ] - [ -0.0021985900000000, -0.0138698900000000, 0.0276233000000000 ] - [ 0.0024500700000000, -0.0134342300000000, 0.0273243900000000 ] - [ -0.0020484400000000, -0.0139619100000000, 0.0276989600000000 ] - [ -0.0018682700000000, -0.0116757500000000, 0.0264795600000000 ] - [ -0.0008394300000000, -0.0108552600000000, 0.0267978200000000 ] - [ -0.0015479200000000, -0.0113147000000000, 0.0266256600000000 ] - [ -0.0010639400000000, -0.0114018000000000, 0.0268172000000000 ] - [ -0.0009636600000000, 0.0026455900000000, 0.0007965600000000 ] - [ -0.0020899700000000, 0.0009369000000000, -0.0009424900000000 ] - [ -0.0012919400000000, 0.0009870700000000, -0.0011109200000000 ] - [ -0.0017618700000000, 0.0015845800000000, -0.0004333100000000 ] - [ 0.0000929000000000, 0.0019854700000000, -0.0010973300000000 ] - [ 0.0010733500000000, 0.0000772300000000, -0.0037629300000000 ] - [ 0.0003119400000000, 0.0014987500000000, -0.0014795000000000 ] - [ 0.0011296100000000, 0.0017969800000000, -0.0009707300000000 ] - [ 0.0017044700000000, 0.0031508500000000, -0.0025136200000000 ] - [ -0.0002119700000000, 0.0003723700000000, -0.0000440000000000 ] - [ 0.0017827800000000, 0.0003543400000000, 0.0004381700000000 ] - [ 0.0000638200000000, 0.0007715500000000, -0.0003749700000000 ] - [ -0.0034870400000000, -0.0211937100000000, -0.0583670100000000 ] - [ -0.0041074800000000, -0.0219447300000000, -0.0643166700000000 ] - [ -0.0018086800000000, -0.0204433800000000, -0.0599421000000000 ] - [ -0.0012850300000000, -0.0230216200000000, -0.0621408800000000 ] - [ -0.0096232700000000, 0.0066516800000000, 0.0213332600000000 ] - [ -0.0020299700000000, 0.0036967500000000, 0.0028199600000000 ] - [ 0.0027783100000000, 0.0026289100000000, 0.0058415400000000 ] - [ -0.0007610800000000, 0.0054757100000000, 0.0039247100000000 ] - [ -0.0037681700000000, 0.0019849100000000, 0.0054792400000000 ] - [ -0.0130167200000000, -0.0015689300000000, -0.0179623500000000 ] - [ -0.0028661100000000, 0.0007743000000000, 0.0043613600000000 ] - [ 0.0003084000000000, 0.0035664700000000, 0.0028217100000000 ]- atom: 73 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006503700000000, 0.0039185300000000, 0.0057109400000000 ] - [ 0.0030863800000000, 0.0034347900000000, 0.0058740200000000 ] - [ 0.0046025900000000, 0.0060354100000000, 0.0047724700000000 ] - [ -0.0007216200000000, 0.0065669200000000, 0.0047485600000000 ] - [ -0.0015310400000000, 0.0014269700000000, -0.0067337600000000 ] - [ -0.0014103000000000, -0.0014412100000000, -0.0053392400000000 ] - [ -0.0017711200000000, -0.0041936100000000, -0.0049461500000000 ] - [ -0.0014884100000000, -0.0025721500000000, -0.0049689100000000 ] - [ 0.0017484600000000, -0.0051480700000000, 0.0038710400000000 ] - [ 0.0016164500000000, -0.0052855300000000, 0.0041119500000000 ] - [ 0.0022219200000000, -0.0072618600000000, 0.0047407100000000 ] - [ 0.0013087700000000, -0.0072114600000000, 0.0048527000000000 ] - [ -0.0018553400000000, -0.0019486400000000, -0.0027439600000000 ] - [ -0.0013965200000000, 0.0013638500000000, -0.0046220300000000 ] - [ 0.0011315500000000, 0.0102784100000000, -0.0040408700000000 ] - [ -0.0014729700000000, 0.0027148500000000, -0.0045930800000000 ] - [ -0.0359786500000000, 0.0058468000000000, -0.0193260400000000 ] - [ -0.0127496600000000, -0.0156826600000000, -0.0251076000000000 ] - [ -0.0109056800000000, -0.0221326500000000, -0.0239635500000000 ] - [ -0.0089389000000000, -0.0187709000000000, -0.0253324000000000 ] - [ 0.0344374200000000, 0.0096401200000000, -0.0132194700000000 ] - [ 0.0136883800000000, -0.0127355800000000, -0.0233533300000000 ] - [ 0.0102993800000000, -0.0192013900000000, -0.0221694800000000 ] - [ 0.0089685900000000, -0.0161069200000000, -0.0234991100000000 ] - [ 0.0213093100000000, -0.0302780100000000, 0.0647876200000000 ] - [ 0.0193093500000000, -0.0268936900000000, 0.0666377800000000 ] - [ 0.0185244200000000, -0.0273686900000000, 0.0697735900000000 ] - [ 0.0212392400000000, -0.0255941200000000, 0.0664921800000000 ] - [ -0.0235739300000000, -0.0285645900000000, 0.0661556300000000 ] - [ -0.0215883700000000, -0.0240710600000000, 0.0677780500000000 ] - [ -0.0209459300000000, -0.0246457600000000, 0.0710331000000000 ] - [ -0.0233104500000000, -0.0224056000000000, 0.0676954900000000 ] - [ -0.0097983700000000, 0.0167398500000000, -0.0266352900000000 ] - [ -0.0093894500000000, 0.0173776900000000, -0.0257781900000000 ] - [ -0.0109776300000000, 0.0193245700000000, -0.0271082600000000 ] - [ -0.0085623000000000, 0.0183696500000000, -0.0254186900000000 ] - [ 0.0093074900000000, 0.0141580100000000, -0.0248841200000000 ] - [ 0.0092528700000000, 0.0147765700000000, -0.0237343600000000 ] - [ 0.0103886200000000, 0.0172055000000000, -0.0259423000000000 ] - [ 0.0087310400000000, 0.0156243500000000, -0.0234517700000000 ] - [ -0.0215587800000000, 0.0292138600000000, 0.0705994100000000 ] - [ -0.0222063200000000, 0.0235213000000000, 0.0692623600000000 ] - [ -0.0213055300000000, 0.0194023800000000, 0.0680968800000000 ] - [ -0.0228850300000000, 0.0223572200000000, 0.0684246300000000 ] - [ 0.0187141400000000, 0.0317958700000000, 0.0702768300000000 ] - [ 0.0203694800000000, 0.0265914100000000, 0.0678392800000000 ] - [ 0.0184420100000000, 0.0235073600000000, 0.0663219300000000 ] - [ 0.0210159800000000, 0.0254885300000000, 0.0670897700000000 ] - [ 0.0072338500000000, 0.0014351500000000, 0.0062431600000000 ] - [ 0.0020563500000000, -0.0025186800000000, -0.0011889600000000 ] - [ 0.0026245000000000, -0.0014509700000000, -0.0020359500000000 ] - [ 0.0028166400000000, -0.0025547000000000, -0.0019586200000000 ] - [ 0.0018470900000000, 0.0373220100000000, -0.0599900400000000 ] - [ 0.0024173900000000, 0.0354158200000000, -0.0607391900000000 ] - [ 0.0026489400000000, 0.0360670700000000, -0.0635117700000000 ] - [ 0.0023552600000000, 0.0347982800000000, -0.0608170900000000 ] - [ 0.0025690900000000, 0.0016716500000000, -0.0022489600000000 ] - [ 0.0026694500000000, 0.0028582200000000, -0.0022356200000000 ] - [ -0.0016723500000000, 0.0051537200000000, 0.0025885900000000 ] - [ 0.0028486200000000, 0.0027622900000000, -0.0022038000000000 ] - [ 0.0029324800000000, -0.0404008900000000, -0.0603860500000000 ] - [ 0.0023556500000000, -0.0352971200000000, -0.0610941100000000 ] - [ 0.0029602000000000, -0.0336806900000000, -0.0610108600000000 ] - [ 0.0023402500000000, -0.0347842400000000, -0.0610361900000000 ] - [ -0.0087009900000000, 0.0065210800000000, -0.0201467200000000 ] - [ -0.0001015000000000, -0.0002861900000000, -0.0124275200000000 ] - [ 0.0016591000000000, 0.0031251500000000, -0.0124096400000000 ] - [ -0.0009962300000000, -0.0002936500000000, -0.0117186400000000 ] - [ 0.0081088600000000, 0.0046682700000000, -0.0189735500000000 ] - [ -0.0004603800000000, -0.0017745400000000, -0.0124293500000000 ] - [ -0.0020413400000000, 0.0015432100000000, -0.0123721500000000 ] - [ 0.0006677400000000, -0.0018652300000000, -0.0115488200000000 ] - [ 0.0019369800000000, -0.0621567900000000, 0.0097754000000000 ] - [ -0.0003153600000000, 0.0131112500000000, 0.0269497200000000 ] - [ -0.0001071800000000, 0.0149042300000000, 0.0276828800000000 ] - [ -0.0003709800000000, 0.0140973400000000, 0.0276873400000000 ] - [ 0.0090322300000000, 0.0137641200000000, 0.0248301000000000 ] - [ -0.0142289100000000, 0.0157788700000000, 0.0258111900000000 ] - [ -0.0018940500000000, 0.0118545500000000, 0.0265655400000000 ] - [ -0.0000681400000000, 0.0117526400000000, 0.0265837400000000 ] - [ -0.0015627000000000, 0.0005323400000000, -0.0014309600000000 ] - [ -0.0016365100000000, -0.0007993200000000, -0.0006238700000000 ] - [ -0.0073504300000000, -0.0025933900000000, -0.0047147500000000 ] - [ -0.0011902000000000, -0.0028381000000000, -0.0000901200000000 ] - [ 0.0009146900000000, -0.0008852900000000, -0.0013532600000000 ] - [ 0.0009448100000000, 0.0005469100000000, -0.0019728800000000 ] - [ 0.0004495400000000, -0.0027850700000000, -0.0007774100000000 ] - [ 0.0076114300000000, -0.0031154200000000, -0.0053601500000000 ] - [ -0.0025468300000000, 0.0034367200000000, 0.0080784000000000 ] - [ 0.0009145100000000, -0.0006041500000000, 0.0002288800000000 ] - [ 0.0007813300000000, 0.0003191300000000, -0.0001625600000000 ] - [ 0.0004559400000000, -0.0005957900000000, -0.0001805900000000 ] - [ 0.0002314300000000, 0.0221790500000000, -0.0602362900000000 ] - [ -0.0023165800000000, 0.0220211400000000, -0.0603336100000000 ] - [ -0.0030536800000000, 0.0220245300000000, -0.0613297200000000 ] - [ 0.0004382700000000, 0.0221057200000000, -0.0613177800000000 ] - [ 0.0014527600000000, -0.0027386200000000, 0.0056878000000000 ] - [ 0.0013104500000000, -0.0033542000000000, 0.0050668200000000 ] - [ 0.0009263000000000, -0.0051901700000000, 0.0048299200000000 ] - [ 0.0013403000000000, -0.0041421300000000, 0.0047876000000000 ] - [ -0.0013361700000000, -0.0015845100000000, 0.0040055600000000 ] - [ -0.0014104700000000, -0.0010598800000000, 0.0046378800000000 ] - [ -0.0013959900000000, -0.0022892600000000, 0.0037596800000000 ] - [ -0.0009177700000000, -0.0031952500000000, 0.0034508600000000 ] - [ -0.0007167400000000, 0.0007998600000000, -0.0105392800000000 ] - [ -0.0006489700000000, 0.0005203200000000, -0.0113157000000000 ] - [ -0.0004761100000000, 0.0009461700000000, -0.0119903100000000 ] - [ -0.0009278000000000, 0.0005188700000000, -0.0115793800000000 ] - [ 0.0004132700000000, 0.0024168000000000, -0.0103254100000000 ] - [ 0.0003686600000000, 0.0020374200000000, -0.0111707700000000 ] - [ 0.0003338400000000, 0.0026269200000000, -0.0115474600000000 ] - [ 0.0006237800000000, 0.0020460600000000, -0.0114358900000000 ] - [ -0.0000592100000000, -0.0135641900000000, 0.0279253900000000 ] - [ -0.0003182400000000, -0.0137032600000000, 0.0277031500000000 ] - [ 0.0001139600000000, -0.0146992400000000, 0.0280954600000000 ] - [ -0.0004131500000000, -0.0140591000000000, 0.0277328200000000 ] - [ -0.0011358100000000, -0.0111364400000000, 0.0269414300000000 ] - [ -0.0007801800000000, -0.0111406500000000, 0.0269054700000000 ] - [ -0.0023687600000000, -0.0114668200000000, 0.0269717200000000 ] - [ 0.0001798900000000, -0.0113533200000000, 0.0268826000000000 ] - [ -0.0015241900000000, 0.0002385900000000, -0.0011649000000000 ] - [ -0.0013503400000000, 0.0010928700000000, -0.0008950100000000 ] - [ -0.0016098900000000, 0.0027492700000000, 0.0004504300000000 ] - [ -0.0013041700000000, 0.0018488100000000, -0.0004417400000000 ] - [ 0.0006601300000000, 0.0011198700000000, -0.0015554300000000 ] - [ 0.0008494300000000, 0.0005302700000000, -0.0018333800000000 ] - [ 0.0006265000000000, 0.0018992100000000, -0.0010596600000000 ] - [ 0.0009927600000000, 0.0025563300000000, -0.0003031700000000 ] - [ 0.0008094500000000, 0.0000999200000000, -0.0004980300000000 ] - [ 0.0005751500000000, 0.0008035300000000, -0.0003380500000000 ] - [ 0.0032191500000000, 0.0019917300000000, 0.0029447800000000 ] - [ 0.0003869200000000, 0.0007540300000000, -0.0003739500000000 ] - [ -0.0016447600000000, -0.0226477900000000, -0.0619536300000000 ] - [ -0.0012878600000000, -0.0227663100000000, -0.0622512900000000 ] - [ -0.0024882500000000, -0.0212055800000000, -0.0608906200000000 ] - [ -0.0003924900000000, -0.0213496100000000, -0.0608831300000000 ] - [ -0.0042792400000000, -0.0010561300000000, 0.0068403100000000 ] - [ 0.0013757200000000, 0.0031271800000000, 0.0043419300000000 ] - [ 0.0008803700000000, 0.0057609900000000, 0.0042467100000000 ] - [ 0.0008494200000000, 0.0046959600000000, 0.0044422900000000 ] - [ -0.0015663000000000, 0.0013058100000000, 0.0032640100000000 ] - [ 0.0036579000000000, -0.0029641100000000, 0.0049676800000000 ] - [ -0.0010658600000000, 0.0027172700000000, 0.0034506500000000 ] - [ -0.0007775400000000, 0.0038056200000000, 0.0033209300000000 ]- atom: 73 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0028096400000000, 0.0085666400000000, 0.0040420700000000 ] - [ 0.0003562800000000, 0.0090524900000000, 0.0038741700000000 ] - [ -0.0011354500000000, 0.0064889900000000, 0.0049811600000000 ] - [ 0.0041625600000000, 0.0059578700000000, 0.0049984500000000 ] - [ -0.0015132100000000, -0.0055989400000000, -0.0031032700000000 ] - [ -0.0016443700000000, -0.0027318100000000, -0.0044731400000000 ] - [ -0.0012793000000000, 0.0000101500000000, -0.0048593600000000 ] - [ -0.0015625400000000, -0.0016079100000000, -0.0048401000000000 ] - [ 0.0017075200000000, -0.0073465100000000, 0.0058603400000000 ] - [ 0.0018313200000000, -0.0072144700000000, 0.0056247500000000 ] - [ 0.0012358500000000, -0.0052411300000000, 0.0049914700000000 ] - [ 0.0021392000000000, -0.0052946200000000, 0.0048830000000000 ] - [ -0.0011899900000000, 0.0061277200000000, -0.0070604100000000 ] - [ -0.0016596000000000, 0.0028100300000000, -0.0051817400000000 ] - [ -0.0041621800000000, -0.0057846300000000, -0.0053670400000000 ] - [ -0.0015807200000000, 0.0014732200000000, -0.0052082500000000 ] - [ 0.0171606100000000, -0.0410202900000000, -0.0316562200000000 ] - [ -0.0065702700000000, -0.0198190600000000, -0.0258714500000000 ] - [ -0.0084121000000000, -0.0134157900000000, -0.0270001500000000 ] - [ -0.0103565300000000, -0.0167512600000000, -0.0256554400000000 ] - [ -0.0162457900000000, -0.0397244600000000, -0.0339405100000000 ] - [ 0.0050274300000000, -0.0176123500000000, -0.0237690600000000 ] - [ 0.0084104800000000, -0.0111934500000000, -0.0249331200000000 ] - [ 0.0097187600000000, -0.0142628700000000, -0.0236273100000000 ] - [ 0.0187076700000000, -0.0220721900000000, 0.0691832300000000 ] - [ 0.0206919100000000, -0.0254670100000000, 0.0673290500000000 ] - [ 0.0214830600000000, -0.0249575500000000, 0.0641729400000000 ] - [ 0.0187690100000000, -0.0267479700000000, 0.0674690600000000 ] - [ -0.0210134900000000, -0.0174685700000000, 0.0704040100000000 ] - [ -0.0230012600000000, -0.0219264100000000, 0.0687959400000000 ] - [ -0.0236316000000000, -0.0213107600000000, 0.0655166800000000 ] - [ -0.0212790600000000, -0.0235738900000000, 0.0688736400000000 ] - [ -0.0095046100000000, 0.0187763300000000, -0.0243694100000000 ] - [ -0.0099103300000000, 0.0181420300000000, -0.0252160800000000 ] - [ -0.0083378300000000, 0.0162078800000000, -0.0239155500000000 ] - [ -0.0107322200000000, 0.0171526900000000, -0.0255753100000000 ] - [ 0.0093885200000000, 0.0162006300000000, -0.0222617300000000 ] - [ 0.0094380800000000, 0.0155904400000000, -0.0234012600000000 ] - [ 0.0083180400000000, 0.0131769900000000, -0.0212243000000000 ] - [ 0.0099562800000000, 0.0147443000000000, -0.0236806200000000 ] - [ -0.0230120700000000, 0.0167657600000000, 0.0660007200000000 ] - [ -0.0223858900000000, 0.0224614400000000, 0.0673251700000000 ] - [ -0.0232617700000000, 0.0265543800000000, 0.0684745900000000 ] - [ -0.0217090200000000, 0.0236267300000000, 0.0681541600000000 ] - [ 0.0212798000000000, 0.0205437200000000, 0.0637081000000000 ] - [ 0.0196437300000000, 0.0257529400000000, 0.0661405700000000 ] - [ 0.0215458600000000, 0.0288194000000000, 0.0676378700000000 ] - [ 0.0189992600000000, 0.0268563600000000, 0.0668842800000000 ] - [ -0.0018934100000000, -0.0069343000000000, -0.0103811100000000 ] - [ 0.0033088400000000, -0.0030131200000000, -0.0029210000000000 ] - [ 0.0027409200000000, -0.0040953200000000, -0.0020961300000000 ] - [ 0.0025528700000000, -0.0029861800000000, -0.0021645600000000 ] - [ 0.0032131700000000, 0.0329085100000000, -0.0617950800000000 ] - [ 0.0026578400000000, 0.0348159300000000, -0.0610410600000000 ] - [ 0.0024213300000000, 0.0341485200000000, -0.0582880100000000 ] - [ 0.0027198500000000, 0.0354271300000000, -0.0609614600000000 ] - [ 0.0027948800000000, 0.0038677900000000, -0.0018688200000000 ] - [ 0.0026989300000000, 0.0026837200000000, -0.0018861200000000 ] - [ 0.0069903600000000, 0.0004127500000000, -0.0066565000000000 ] - [ 0.0025211300000000, 0.0027772300000000, -0.0019182900000000 ] - [ 0.0021410300000000, -0.0298716200000000, -0.0613975200000000 ] - [ 0.0027195600000000, -0.0349279400000000, -0.0606903800000000 ] - [ 0.0021147500000000, -0.0365360300000000, -0.0607691400000000 ] - [ 0.0027333500000000, -0.0354405100000000, -0.0607478100000000 ] - [ 0.0074953200000000, -0.0075591100000000, -0.0030317400000000 ] - [ -0.0012189200000000, -0.0006695500000000, -0.0108337100000000 ] - [ -0.0029505500000000, -0.0040487500000000, -0.0108562700000000 ] - [ -0.0003285300000000, -0.0006699000000000, -0.0115380200000000 ] - [ -0.0074097100000000, -0.0087591200000000, -0.0038994700000000 ] - [ 0.0012620700000000, -0.0022443300000000, -0.0105107800000000 ] - [ 0.0028088900000000, -0.0055291300000000, -0.0105755300000000 ] - [ 0.0001387700000000, -0.0021590700000000, -0.0113860400000000 ] - [ -0.0024229100000000, 0.0890708200000000, 0.0452063600000000 ] - [ -0.0001849600000000, 0.0144751600000000, 0.0283210000000000 ] - [ -0.0003947100000000, 0.0127036200000000, 0.0275991100000000 ] - [ -0.0001292200000000, 0.0135074800000000, 0.0275985700000000 ] - [ -0.0107796900000000, 0.0087488400000000, 0.0286843600000000 ] - [ 0.0122624200000000, 0.0067287900000000, 0.0277063300000000 ] - [ 0.0000467300000000, 0.0106899500000000, 0.0269592400000000 ] - [ -0.0017569500000000, 0.0107907100000000, 0.0269415400000000 ] - [ -0.0013110600000000, -0.0035720400000000, 0.0002962200000000 ] - [ -0.0012350700000000, -0.0022519000000000, -0.0005014600000000 ] - [ 0.0044806700000000, -0.0005158700000000, 0.0035983900000000 ] - [ -0.0016829600000000, -0.0002273000000000, -0.0010289800000000 ] - [ 0.0006714000000000, -0.0022463200000000, -0.0010315500000000 ] - [ 0.0006423400000000, -0.0036713700000000, -0.0004170200000000 ] - [ 0.0011396300000000, -0.0003581800000000, -0.0015978500000000 ] - [ -0.0060204100000000, -0.0000682900000000, 0.0029715200000000 ] - [ 0.0038158600000000, -0.0049003200000000, -0.0085855600000000 ] - [ 0.0003133000000000, -0.0008588900000000, -0.0006510800000000 ] - [ 0.0004448300000000, -0.0017906700000000, -0.0002749700000000 ] - [ 0.0007679100000000, -0.0008736400000000, -0.0002498000000000 ] - [ -0.0029265600000000, 0.0211670600000000, -0.0617272800000000 ] - [ -0.0003864400000000, 0.0213196500000000, -0.0616338000000000 ] - [ 0.0003461700000000, 0.0213109300000000, -0.0606355200000000 ] - [ -0.0031396000000000, 0.0212301400000000, -0.0606480500000000 ] - [ 0.0009903900000000, -0.0049133700000000, 0.0038051400000000 ] - [ 0.0011342900000000, -0.0043034900000000, 0.0044179900000000 ] - [ 0.0015152000000000, -0.0024754700000000, 0.0046604500000000 ] - [ 0.0011049800000000, -0.0035181300000000, 0.0046969600000000 ] - [ -0.0011425100000000, -0.0024296500000000, 0.0033377700000000 ] - [ -0.0010684500000000, -0.0029542300000000, 0.0027091900000000 ] - [ -0.0010841500000000, -0.0017288100000000, 0.0035831200000000 ] - [ -0.0015598300000000, -0.0008256300000000, 0.0038954700000000 ] - [ -0.0006060000000000, 0.0001639800000000, -0.0127133700000000 ] - [ -0.0006738100000000, 0.0004409500000000, -0.0119387300000000 ] - [ -0.0008464700000000, 0.0000174700000000, -0.0112570900000000 ] - [ -0.0003965100000000, 0.0004435100000000, -0.0116733600000000 ] - [ 0.0003905700000000, 0.0016126700000000, -0.0125997400000000 ] - [ 0.0004372000000000, 0.0019883800000000, -0.0117596100000000 ] - [ 0.0004699600000000, 0.0014027600000000, -0.0113742800000000 ] - [ 0.0001822400000000, 0.0019787600000000, -0.0114952200000000 ] - [ -0.0004414600000000, -0.0140387600000000, 0.0273641900000000 ] - [ -0.0001802100000000, -0.0138988300000000, 0.0275830900000000 ] - [ -0.0006101700000000, -0.0129106700000000, 0.0271984000000000 ] - [ -0.0000864800000000, -0.0135440500000000, 0.0275539900000000 ] - [ -0.0007044900000000, -0.0114053200000000, 0.0265882500000000 ] - [ -0.0010538500000000, -0.0114016600000000, 0.0266231300000000 ] - [ 0.0005169800000000, -0.0110762100000000, 0.0265592300000000 ] - [ -0.0020067700000000, -0.0111902500000000, 0.0266478800000000 ] - [ -0.0013518600000000, 0.0028112500000000, 0.0000388200000000 ] - [ -0.0015189900000000, 0.0019618700000000, -0.0002320600000000 ] - [ -0.0012669100000000, 0.0003184700000000, -0.0015604600000000 ] - [ -0.0015670500000000, 0.0012085200000000, -0.0006797600000000 ] - [ 0.0009241700000000, 0.0020143200000000, -0.0008281300000000 ] - [ 0.0007400400000000, 0.0026033900000000, -0.0005463800000000 ] - [ 0.0009588400000000, 0.0012385800000000, -0.0013188100000000 ] - [ 0.0005968300000000, 0.0005874100000000, -0.0020679900000000 ] - [ 0.0004180400000000, 0.0013649000000000, 0.0000741700000000 ] - [ 0.0006492400000000, 0.0006659700000000, -0.0000911900000000 ] - [ -0.0019590200000000, -0.0005096900000000, -0.0033307700000000 ] - [ 0.0008361600000000, 0.0007140500000000, -0.0000559700000000 ] - [ -0.0010699800000000, -0.0206914800000000, -0.0600198200000000 ] - [ -0.0014050100000000, -0.0205721800000000, -0.0597219900000000 ] - [ -0.0002303100000000, -0.0221362300000000, -0.0610821800000000 ] - [ -0.0022985200000000, -0.0219909200000000, -0.0610882800000000 ] - [ 0.0067325900000000, 0.0086712200000000, 0.0025864500000000 ] - [ 0.0010671800000000, 0.0045318500000000, 0.0051313800000000 ] - [ 0.0015569800000000, 0.0019107500000000, 0.0052289300000000 ] - [ 0.0015952000000000, 0.0029672100000000, 0.0050378700000000 ] - [ -0.0009114600000000, 0.0027116600000000, 0.0040661100000000 ] - [ -0.0061497500000000, 0.0069383400000000, 0.0023248000000000 ] - [ -0.0014139000000000, 0.0013047300000000, 0.0038870000000000 ] - [ -0.0016962800000000, 0.0002208800000000, 0.0040156600000000 ]- atom: 73 displacement: [ 0.0000055737063633, 0.0000000000000000, 0.0099999984466897 ] forces: - [ 0.0024582600000000, 0.0059666200000000, 0.0063431700000000 ] - [ 0.0010612400000000, 0.0060176000000000, 0.0063300000000000 ] - [ 0.0036510700000000, 0.0054038900000000, 0.0070745500000000 ] - [ 0.0000701800000000, 0.0056939000000000, 0.0068650900000000 ] - [ -0.0017713500000000, -0.0018085200000000, -0.0106372400000000 ] - [ -0.0015069200000000, -0.0019951400000000, -0.0053889600000000 ] - [ -0.0016548200000000, -0.0020671100000000, -0.0057409700000000 ] - [ -0.0015115100000000, -0.0021477400000000, -0.0050970900000000 ] - [ 0.0015313000000000, -0.0058472800000000, 0.0032555400000000 ] - [ 0.0019210500000000, -0.0059847500000000, 0.0034534000000000 ] - [ 0.0016979800000000, -0.0062721900000000, 0.0040127200000000 ] - [ 0.0018574200000000, -0.0061589000000000, 0.0041482500000000 ] - [ -0.0015208700000000, 0.0033174300000000, -0.0041805100000000 ] - [ -0.0015640100000000, 0.0019297600000000, -0.0046230300000000 ] - [ 0.0005581300000000, 0.0076602600000000, 0.0035099700000000 ] - [ -0.0015499400000000, 0.0022660000000000, -0.0044459300000000 ] - [ -0.0152633800000000, -0.0156108900000000, -0.0098268300000000 ] - [ -0.0117218400000000, -0.0169660700000000, -0.0239873000000000 ] - [ -0.0099596500000000, -0.0192807600000000, -0.0221994800000000 ] - [ -0.0094707300000000, -0.0180092100000000, -0.0247957500000000 ] - [ 0.0159477100000000, -0.0085533500000000, -0.0026482800000000 ] - [ 0.0110533600000000, -0.0145474100000000, -0.0220843800000000 ] - [ 0.0095856800000000, -0.0165175000000000, -0.0200823300000000 ] - [ 0.0091584400000000, -0.0153564800000000, -0.0228747200000000 ] - [ 0.0210074400000000, -0.0298557200000000, 0.0649358700000000 ] - [ 0.0191698200000000, -0.0267123300000000, 0.0668297900000000 ] - [ 0.0217425700000000, -0.0241120100000000, 0.0645266100000000 ] - [ 0.0193113400000000, -0.0260215800000000, 0.0665089400000000 ] - [ -0.0232369300000000, -0.0278115300000000, 0.0658765400000000 ] - [ -0.0216291300000000, -0.0236071600000000, 0.0681343800000000 ] - [ -0.0241023500000000, -0.0204189100000000, 0.0659979700000000 ] - [ -0.0214789900000000, -0.0227676700000000, 0.0679369600000000 ] - [ -0.0100542300000000, 0.0178548700000000, -0.0284285400000000 ] - [ -0.0093840700000000, 0.0177464200000000, -0.0262390900000000 ] - [ -0.0102124100000000, 0.0169511000000000, -0.0301639300000000 ] - [ -0.0089629300000000, 0.0177230400000000, -0.0262449800000000 ] - [ 0.0096588300000000, 0.0153121000000000, -0.0267555900000000 ] - [ 0.0092447600000000, 0.0152095400000000, -0.0243096300000000 ] - [ 0.0098014400000000, 0.0150030200000000, -0.0280878900000000 ] - [ 0.0089561900000000, 0.0150386200000000, -0.0242471500000000 ] - [ -0.0180712200000000, 0.0284138800000000, 0.0650414400000000 ] - [ -0.0239050600000000, 0.0229497800000000, 0.0683591600000000 ] - [ -0.0213217800000000, 0.0210667900000000, 0.0683774400000000 ] - [ -0.0227908800000000, 0.0228551200000000, 0.0682567200000000 ] - [ 0.0156437200000000, 0.0306586900000000, 0.0640199300000000 ] - [ 0.0215377500000000, 0.0260604600000000, 0.0672822100000000 ] - [ 0.0185568700000000, 0.0247115700000000, 0.0665570200000000 ] - [ 0.0206934900000000, 0.0259155800000000, 0.0669720600000000 ] - [ 0.0100160200000000, 0.0054875200000000, 0.0040756700000000 ] - [ 0.0023399800000000, -0.0026881000000000, -0.0017625000000000 ] - [ 0.0029735000000000, -0.0042069100000000, -0.0034320100000000 ] - [ 0.0026550800000000, -0.0030906600000000, -0.0023669400000000 ] - [ 0.0017443300000000, 0.0366995200000000, -0.0602533600000000 ] - [ 0.0025550500000000, 0.0352606200000000, -0.0608026500000000 ] - [ 0.0026533800000000, 0.0307975800000000, -0.0578495500000000 ] - [ 0.0025469100000000, 0.0351241700000000, -0.0607180000000000 ] - [ 0.0023655200000000, 0.0003708100000000, -0.0004768900000000 ] - [ 0.0028381800000000, 0.0023786200000000, -0.0017519100000000 ] - [ -0.0007576500000000, 0.0042821900000000, 0.0021530800000000 ] - [ 0.0027805000000000, 0.0026550800000000, -0.0019464700000000 ] - [ 0.0027343800000000, -0.0402891900000000, -0.0541634200000000 ] - [ 0.0024816500000000, -0.0350479400000000, -0.0610290700000000 ] - [ 0.0028301000000000, -0.0346539200000000, -0.0608259700000000 ] - [ 0.0024481700000000, -0.0349937600000000, -0.0609493000000000 ] - [ 0.0037735700000000, -0.0029207400000000, -0.0135393300000000 ] - [ -0.0005597500000000, -0.0000608500000000, -0.0125008900000000 ] - [ 0.0011708900000000, 0.0022259800000000, -0.0132235600000000 ] - [ -0.0008626000000000, -0.0003045400000000, -0.0118628500000000 ] - [ -0.0036815500000000, -0.0044072400000000, -0.0133709500000000 ] - [ 0.0004148200000000, -0.0017012700000000, -0.0122023000000000 ] - [ -0.0015448900000000, 0.0007848000000000, -0.0131893500000000 ] - [ 0.0006001700000000, -0.0018476800000000, -0.0116842700000000 ] - [ -0.0051558200000000, -0.0042643800000000, -0.0421619100000000 ] - [ 0.0000628700000000, 0.0131080700000000, 0.0267485800000000 ] - [ -0.0003832800000000, 0.0138419500000000, 0.0269369100000000 ] - [ -0.0003078200000000, 0.0138447100000000, 0.0275026200000000 ] - [ 0.0070210500000000, 0.0121023200000000, 0.0258748200000000 ] - [ -0.0080342800000000, 0.0129540700000000, 0.0276339100000000 ] - [ -0.0011119200000000, 0.0116330000000000, 0.0263070900000000 ] - [ -0.0006079400000000, 0.0115354700000000, 0.0263357700000000 ] - [ -0.0012932800000000, -0.0004047500000000, -0.0017618000000000 ] - [ -0.0014061800000000, -0.0012590700000000, -0.0009164000000000 ] - [ 0.0020870400000000, -0.0054128400000000, 0.0004644800000000 ] - [ -0.0017030800000000, -0.0019188000000000, -0.0005993600000000 ] - [ 0.0007833600000000, -0.0012489200000000, -0.0015572200000000 ] - [ 0.0006419200000000, -0.0003431100000000, -0.0023743700000000 ] - [ 0.0010155100000000, -0.0020332300000000, -0.0011843700000000 ] - [ -0.0031348800000000, -0.0054386900000000, -0.0003767100000000 ] - [ -0.0040138100000000, 0.0073587500000000, 0.0057632500000000 ] - [ 0.0008308500000000, -0.0006042700000000, 0.0000063700000000 ] - [ 0.0003888900000000, -0.0018154100000000, -0.0013448200000000 ] - [ 0.0006264800000000, -0.0009561400000000, -0.0004455900000000 ] - [ 0.0002551400000000, 0.0219992800000000, -0.0602364400000000 ] - [ -0.0024367900000000, 0.0218752200000000, -0.0604140600000000 ] - [ -0.0001587000000000, 0.0211145700000000, -0.0604317400000000 ] - [ -0.0027487700000000, 0.0210832500000000, -0.0604371600000000 ] - [ 0.0014995300000000, -0.0031035700000000, 0.0063819600000000 ] - [ 0.0011698700000000, -0.0037378300000000, 0.0050575900000000 ] - [ 0.0015435000000000, -0.0040052300000000, 0.0062783300000000 ] - [ 0.0011873600000000, -0.0038308600000000, 0.0050885800000000 ] - [ -0.0011922900000000, -0.0019104900000000, 0.0040159300000000 ] - [ -0.0013726200000000, -0.0014415300000000, 0.0051015200000000 ] - [ -0.0012391200000000, -0.0020256500000000, 0.0040797900000000 ] - [ -0.0015299300000000, -0.0020357900000000, 0.0053697900000000 ] - [ -0.0009180200000000, 0.0010868300000000, -0.0101343900000000 ] - [ -0.0006249500000000, 0.0006221500000000, -0.0112233200000000 ] - [ -0.0009813600000000, 0.0007653500000000, -0.0096675600000000 ] - [ -0.0006618000000000, 0.0005898500000000, -0.0111937400000000 ] - [ 0.0006538900000000, 0.0027376100000000, -0.0098698800000000 ] - [ 0.0003645300000000, 0.0021644900000000, -0.0110782200000000 ] - [ 0.0007470300000000, 0.0024225600000000, -0.0095208400000000 ] - [ 0.0003711800000000, 0.0021181400000000, -0.0110637200000000 ] - [ -0.0000052500000000, -0.0140796100000000, 0.0283858900000000 ] - [ -0.0002299800000000, -0.0138583900000000, 0.0278256900000000 ] - [ 0.0000632700000000, -0.0142515400000000, 0.0288870800000000 ] - [ -0.0003067400000000, -0.0138893200000000, 0.0278831600000000 ] - [ -0.0013509500000000, -0.0111654400000000, 0.0271650200000000 ] - [ -0.0006974600000000, -0.0111876500000000, 0.0271283000000000 ] - [ -0.0018357100000000, -0.0111444500000000, 0.0272858200000000 ] - [ -0.0003252000000000, -0.0110554900000000, 0.0272783400000000 ] - [ -0.0020586600000000, 0.0021616200000000, 0.0011286400000000 ] - [ -0.0012659600000000, 0.0016727900000000, -0.0002662500000000 ] - [ -0.0016804300000000, 0.0020005600000000, 0.0003272400000000 ] - [ -0.0014201800000000, 0.0015843200000000, -0.0003569600000000 ] - [ 0.0006207200000000, 0.0016766000000000, -0.0009456800000000 ] - [ 0.0014230300000000, 0.0027252800000000, 0.0009918000000000 ] - [ 0.0007420200000000, 0.0016832900000000, -0.0009738900000000 ] - [ 0.0010174400000000, 0.0020342600000000, -0.0003402300000000 ] - [ 0.0009620200000000, -0.0011395600000000, 0.0011800100000000 ] - [ 0.0004897800000000, 0.0005027800000000, 0.0000018500000000 ] - [ 0.0026781200000000, 0.0014796600000000, 0.0028757900000000 ] - [ 0.0004915700000000, 0.0006644400000000, -0.0001372800000000 ] - [ -0.0037801300000000, -0.0227544300000000, -0.0611372200000000 ] - [ 0.0013557000000000, -0.0228708200000000, -0.0611373500000000 ] - [ -0.0022395700000000, -0.0215254700000000, -0.0610317700000000 ] - [ -0.0005473600000000, -0.0215954600000000, -0.0610004200000000 ] - [ -0.0094779700000000, 0.0030044400000000, 0.0085377400000000 ] - [ 0.0016405200000000, 0.0036766300000000, 0.0041977400000000 ] - [ 0.0009255400000000, 0.0042241200000000, 0.0038830200000000 ] - [ 0.0013147700000000, 0.0038397400000000, 0.0045470600000000 ] - [ -0.0016243500000000, 0.0017337000000000, 0.0029790700000000 ] - [ 0.0094348400000000, 0.0011930800000000, 0.0075766000000000 ] - [ -0.0013439700000000, 0.0020331300000000, 0.0034611500000000 ] - [ -0.0009496200000000, 0.0023101900000000, 0.0030030200000000 ]- atom: 73 displacement: [ -0.0000055737063633, 0.0000000000000000, -0.0099999984466897 ] forces: - [ 0.0009948100000000, 0.0065138800000000, 0.0033972200000000 ] - [ 0.0023886000000000, 0.0064616900000000, 0.0034085800000000 ] - [ -0.0001813200000000, 0.0071068400000000, 0.0026696300000000 ] - [ 0.0033630900000000, 0.0068188900000000, 0.0028748400000000 ] - [ -0.0012700900000000, -0.0023497900000000, 0.0008466100000000 ] - [ -0.0015457900000000, -0.0021732700000000, -0.0044290300000000 ] - [ -0.0013959100000000, -0.0021135400000000, -0.0040711700000000 ] - [ -0.0015417700000000, -0.0020280500000000, -0.0047155300000000 ] - [ 0.0019243700000000, -0.0066489000000000, 0.0064609600000000 ] - [ 0.0015255600000000, -0.0065162700000000, 0.0062685000000000 ] - [ 0.0017601300000000, -0.0062340500000000, 0.0057091400000000 ] - [ 0.0015877600000000, -0.0063474500000000, 0.0055763100000000 ] - [ -0.0015296300000000, 0.0008439100000000, -0.0056146600000000 ] - [ -0.0014905800000000, 0.0022362600000000, -0.0051857200000000 ] - [ -0.0036007500000000, -0.0029254300000000, -0.0129040500000000 ] - [ -0.0015032100000000, 0.0019137600000000, -0.0053604000000000 ] - [ -0.0044254200000000, -0.0197348000000000, -0.0409726300000000 ] - [ -0.0076123200000000, -0.0185374400000000, -0.0269863900000000 ] - [ -0.0093476000000000, -0.0162634900000000, -0.0287651900000000 ] - [ -0.0098217800000000, -0.0175178000000000, -0.0261874300000000 ] - [ 0.0030008400000000, -0.0216986800000000, -0.0442399000000000 ] - [ 0.0076822400000000, -0.0157790500000000, -0.0250094300000000 ] - [ 0.0091042100000000, -0.0138551300000000, -0.0270012200000000 ] - [ 0.0095174000000000, -0.0149984600000000, -0.0242288200000000 ] - [ 0.0190374700000000, -0.0224676200000000, 0.0690429200000000 ] - [ 0.0208530900000000, -0.0256392900000000, 0.0671326000000000 ] - [ 0.0182889400000000, -0.0282015500000000, 0.0694031500000000 ] - [ 0.0207186200000000, -0.0263152500000000, 0.0674503800000000 ] - [ -0.0213590100000000, -0.0182376800000000, 0.0706862300000000 ] - [ -0.0229718100000000, -0.0224123500000000, 0.0684329700000000 ] - [ -0.0204934400000000, -0.0255534300000000, 0.0705427100000000 ] - [ -0.0231176900000000, -0.0232316500000000, 0.0686298600000000 ] - [ -0.0092495500000000, 0.0176639800000000, -0.0225702400000000 ] - [ -0.0099097000000000, 0.0177736400000000, -0.0247510400000000 ] - [ -0.0090948200000000, 0.0185742100000000, -0.0208536100000000 ] - [ -0.0103242700000000, 0.0178021200000000, -0.0247452100000000 ] - [ 0.0090267300000000, 0.0150320000000000, -0.0203667400000000 ] - [ 0.0094314800000000, 0.0151384300000000, -0.0227996600000000 ] - [ 0.0088884500000000, 0.0153542100000000, -0.0190490700000000 ] - [ 0.0097163800000000, 0.0153135000000000, -0.0228618700000000 ] - [ -0.0264935500000000, 0.0176224700000000, 0.0715690600000000 ] - [ -0.0206995000000000, 0.0230569600000000, 0.0682295900000000 ] - [ -0.0232593200000000, 0.0249163900000000, 0.0681972300000000 ] - [ -0.0218126100000000, 0.0231461500000000, 0.0683206300000000 ] - [ 0.0243549900000000, 0.0217124400000000, 0.0699902700000000 ] - [ 0.0184991400000000, 0.0262811200000000, 0.0666971000000000 ] - [ 0.0214500500000000, 0.0276102000000000, 0.0674043600000000 ] - [ 0.0193427100000000, 0.0264230700000000, 0.0669977100000000 ] - [ -0.0047630500000000, -0.0111046000000000, -0.0082210800000000 ] - [ 0.0030257900000000, -0.0028435400000000, -0.0023564000000000 ] - [ 0.0023982400000000, -0.0013384600000000, -0.0007065400000000 ] - [ 0.0027186400000000, -0.0024511600000000, -0.0017680800000000 ] - [ 0.0033037700000000, 0.0335346900000000, -0.0615191700000000 ] - [ 0.0025129300000000, 0.0349605700000000, -0.0609737200000000 ] - [ 0.0024113100000000, 0.0394646100000000, -0.0639572800000000 ] - [ 0.0025193300000000, 0.0350919200000000, -0.0610583400000000 ] - [ 0.0030042700000000, 0.0051583700000000, -0.0036560700000000 ] - [ 0.0025360700000000, 0.0031616800000000, -0.0023837400000000 ] - [ 0.0060952700000000, 0.0012708800000000, -0.0062462500000000 ] - [ 0.0025944900000000, 0.0028841600000000, -0.0021887300000000 ] - [ 0.0023371400000000, -0.0300129900000000, -0.0674912200000000 ] - [ 0.0025852900000000, -0.0351705500000000, -0.0607526800000000 ] - [ 0.0022390800000000, -0.0355513900000000, -0.0609519800000000 ] - [ 0.0026179000000000, -0.0352218400000000, -0.0608303100000000 ] - [ -0.0050828700000000, 0.0019799300000000, -0.0097657500000000 ] - [ -0.0007512700000000, -0.0008812700000000, -0.0107644900000000 ] - [ -0.0024599800000000, -0.0031430500000000, -0.0100477600000000 ] - [ -0.0004557700000000, -0.0006425000000000, -0.0113939300000000 ] - [ 0.0044747700000000, 0.0003953200000000, -0.0096064500000000 ] - [ 0.0003746600000000, -0.0023154900000000, -0.0107438400000000 ] - [ 0.0023140900000000, -0.0047761600000000, -0.0097603300000000 ] - [ 0.0002003300000000, -0.0021758300000000, -0.0112482900000000 ] - [ 0.0048262200000000, 0.0311679200000000, 0.0966723200000000 ] - [ -0.0005693500000000, 0.0144800900000000, 0.0285209700000000 ] - [ -0.0001203700000000, 0.0137609200000000, 0.0283461900000000 ] - [ -0.0001946300000000, 0.0137563000000000, 0.0277840100000000 ] - [ -0.0087341300000000, 0.0104565100000000, 0.0276138900000000 ] - [ 0.0059908500000000, 0.0096206300000000, 0.0258626600000000 ] - [ -0.0007324800000000, 0.0109136600000000, 0.0272212900000000 ] - [ -0.0012205700000000, 0.0110090800000000, 0.0271933600000000 ] - [ -0.0015796400000000, -0.0026413100000000, 0.0006271800000000 ] - [ -0.0014637300000000, -0.0017929400000000, -0.0002140900000000 ] - [ -0.0049453300000000, 0.0023262900000000, -0.0015622000000000 ] - [ -0.0011709000000000, -0.0011513800000000, -0.0005253700000000 ] - [ 0.0008030300000000, -0.0018820600000000, -0.0008283500000000 ] - [ 0.0009462700000000, -0.0027846900000000, -0.0000134300000000 ] - [ 0.0005707100000000, -0.0011136200000000, -0.0011972400000000 ] - [ 0.0047185300000000, 0.0022764700000000, -0.0019707400000000 ] - [ 0.0053605900000000, -0.0089702900000000, -0.0062683600000000 ] - [ 0.0004032100000000, -0.0008611100000000, -0.0004238000000000 ] - [ 0.0008423300000000, 0.0003421000000000, 0.0009165100000000 ] - [ 0.0006030200000000, -0.0005152200000000, 0.0000198200000000 ] - [ -0.0029566900000000, 0.0213481000000000, -0.0617296900000000 ] - [ -0.0002597700000000, 0.0214651600000000, -0.0615567800000000 ] - [ -0.0025540900000000, 0.0222226100000000, -0.0615359200000000 ] - [ 0.0000468500000000, 0.0222551500000000, -0.0615307800000000 ] - [ 0.0009412900000000, -0.0045449800000000, 0.0031023800000000 ] - [ 0.0012756700000000, -0.0039119000000000, 0.0044240700000000 ] - [ 0.0008979500000000, -0.0036530100000000, 0.0032111400000000 ] - [ 0.0012579400000000, -0.0038224300000000, 0.0043934500000000 ] - [ -0.0012887000000000, -0.0020951400000000, 0.0033234000000000 ] - [ -0.0011065800000000, -0.0025686200000000, 0.0022347600000000 ] - [ -0.0012418300000000, -0.0019831900000000, 0.0032595000000000 ] - [ -0.0009486900000000, -0.0019746500000000, 0.0019756300000000 ] - [ -0.0003985900000000, -0.0001362600000000, -0.0131148100000000 ] - [ -0.0006922700000000, 0.0003279900000000, -0.0120278200000000 ] - [ -0.0003347800000000, 0.0001866200000000, -0.0135793500000000 ] - [ -0.0006559300000000, 0.0003577700000000, -0.0120571700000000 ] - [ 0.0001428900000000, 0.0012912400000000, -0.0130501900000000 ] - [ 0.0004354700000000, 0.0018604200000000, -0.0118500500000000 ] - [ 0.0000514800000000, 0.0016036600000000, -0.0134025100000000 ] - [ 0.0004284800000000, 0.0019055700000000, -0.0118645400000000 ] - [ -0.0004977700000000, -0.0135187300000000, 0.0269034600000000 ] - [ -0.0002731000000000, -0.0137403700000000, 0.0274613800000000 ] - [ -0.0005643000000000, -0.0133547300000000, 0.0264072600000000 ] - [ -0.0001971400000000, -0.0137124200000000, 0.0274056800000000 ] - [ -0.0004911600000000, -0.0113763300000000, 0.0263684200000000 ] - [ -0.0011315800000000, -0.0113537200000000, 0.0264045700000000 ] - [ -0.0000151300000000, -0.0113991300000000, 0.0262489800000000 ] - [ -0.0014991800000000, -0.0114862700000000, 0.0262558900000000 ] - [ -0.0008167500000000, 0.0008949900000000, -0.0022523600000000 ] - [ -0.0016018200000000, 0.0013837800000000, -0.0008652700000000 ] - [ -0.0011923400000000, 0.0010649800000000, -0.0014488200000000 ] - [ -0.0014488900000000, 0.0014762700000000, -0.0007707100000000 ] - [ 0.0009626500000000, 0.0014576300000000, -0.0014414300000000 ] - [ 0.0001665400000000, 0.0004141400000000, -0.0033688100000000 ] - [ 0.0008419400000000, 0.0014552800000000, -0.0014095200000000 ] - [ 0.0005717400000000, 0.0011060400000000, -0.0020374100000000 ] - [ 0.0002712600000000, 0.0026013100000000, -0.0016053500000000 ] - [ 0.0007396300000000, 0.0009678700000000, -0.0004281900000000 ] - [ -0.0014239200000000, -0.0000031600000000, -0.0032704100000000 ] - [ 0.0007373100000000, 0.0008053000000000, -0.0002879100000000 ] - [ 0.0010567400000000, -0.0205963000000000, -0.0608421300000000 ] - [ -0.0040440500000000, -0.0204834500000000, -0.0608445900000000 ] - [ -0.0004783200000000, -0.0218160600000000, -0.0609406700000000 ] - [ -0.0021485400000000, -0.0217466700000000, -0.0609721000000000 ] - [ 0.0118162100000000, 0.0046316300000000, 0.0009402400000000 ] - [ 0.0008036100000000, 0.0039694100000000, 0.0052712900000000 ] - [ 0.0015130500000000, 0.0034387400000000, 0.0055895800000000 ] - [ 0.0011273700000000, 0.0038188300000000, 0.0049293500000000 ] - [ -0.0008571400000000, 0.0022686600000000, 0.0043464500000000 ] - [ -0.0117962000000000, 0.0028028100000000, -0.0002234000000000 ] - [ -0.0011358800000000, 0.0019808800000000, 0.0038715300000000 ] - [ -0.0015246700000000, 0.0017083400000000, 0.0043284900000000 ]- atom: 77 displacement: [ 0.0099999993466229, 0.0000000000000000, -0.0000036149054082 ] forces: - [ 0.0249231400000000, 0.0081774000000000, 0.0033089800000000 ] - [ -0.0028910500000000, 0.0062733000000000, 0.0047161300000000 ] - [ 0.0138476700000000, 0.0057159400000000, 0.0044592300000000 ] - [ -0.0032655900000000, 0.0066079600000000, 0.0048857300000000 ] - [ -0.0049331000000000, -0.0055505700000000, 0.0006104300000000 ] - [ -0.0045714100000000, -0.0002451000000000, -0.0100326200000000 ] - [ -0.0021659500000000, -0.0012884400000000, -0.0042011000000000 ] - [ -0.0019629800000000, -0.0021497800000000, -0.0054521000000000 ] - [ 0.0088723400000000, -0.0068389700000000, 0.0058272900000000 ] - [ -0.0023401700000000, -0.0064832000000000, 0.0047973100000000 ] - [ 0.0063321800000000, -0.0055002900000000, 0.0050034300000000 ] - [ -0.0016192000000000, -0.0062547600000000, 0.0048443000000000 ] - [ -0.0050978600000000, 0.0076402100000000, -0.0072953600000000 ] - [ -0.0053398000000000, -0.0039044200000000, -0.0025483700000000 ] - [ -0.0029498100000000, -0.0028403000000000, -0.0090323000000000 ] - [ -0.0041701300000000, 0.0088196900000000, 0.0007670500000000 ] - [ -0.0328279500000000, -0.0126960800000000, -0.0246893400000000 ] - [ 0.0510874800000000, -0.0179343600000000, -0.0209347000000000 ] - [ -0.0137589200000000, -0.0167710100000000, -0.0261411400000000 ] - [ -0.0056686000000000, -0.0185196600000000, -0.0241115900000000 ] - [ 0.0390884000000000, -0.0186211700000000, -0.0283626000000000 ] - [ -0.0156177200000000, -0.0219156700000000, -0.0266893900000000 ] - [ 0.0122409200000000, -0.0130970000000000, -0.0255122000000000 ] - [ 0.0060490500000000, -0.0154937100000000, -0.0231254600000000 ] - [ 0.0106355100000000, -0.0260473400000000, 0.0682984200000000 ] - [ 0.0288454200000000, -0.0406012700000000, 0.0582175400000000 ] - [ 0.0141416700000000, -0.0285471200000000, 0.0686104700000000 ] - [ 0.0220647900000000, -0.0183249900000000, 0.0546231600000000 ] - [ -0.0149856300000000, -0.0039389200000000, 0.0775422800000000 ] - [ -0.0294036200000000, -0.0256235400000000, 0.0662692600000000 ] - [ -0.0202311200000000, -0.0306101000000000, 0.0784769700000000 ] - [ -0.0283623800000000, -0.0200239100000000, 0.0663692300000000 ] - [ -0.0135931200000000, 0.0179909800000000, -0.0248928700000000 ] - [ -0.0054339600000000, 0.0166574100000000, -0.0249637100000000 ] - [ -0.0136412500000000, 0.0165133000000000, -0.0253418700000000 ] - [ -0.0060620100000000, 0.0198863800000000, -0.0256194900000000 ] - [ 0.0124882200000000, 0.0163905100000000, -0.0229763000000000 ] - [ 0.0062520600000000, 0.0145871500000000, -0.0229900300000000 ] - [ 0.0126209400000000, 0.0138143000000000, -0.0230480000000000 ] - [ 0.0059363800000000, 0.0161163300000000, -0.0232847400000000 ] - [ -0.0166733900000000, 0.0239147900000000, 0.0552916600000000 ] - [ -0.0302100700000000, 0.0206798000000000, 0.0711645500000000 ] - [ -0.0196373900000000, 0.0231663700000000, 0.0679926300000000 ] - [ -0.0252802100000000, 0.0232139600000000, 0.0684434100000000 ] - [ 0.0128658900000000, 0.0280104500000000, 0.0644332300000000 ] - [ 0.0268999300000000, 0.0238404000000000, 0.0836170800000000 ] - [ 0.0164248000000000, 0.0264640700000000, 0.0667954100000000 ] - [ 0.0233972700000000, 0.0265220100000000, 0.0674517000000000 ] - [ 0.0166816700000000, -0.0205189800000000, -0.0311945800000000 ] - [ 0.0056010300000000, 0.0012207100000000, 0.0016168100000000 ] - [ 0.0023219100000000, -0.0012511700000000, -0.0014938800000000 ] - [ 0.0035594900000000, -0.0034586900000000, -0.0026443800000000 ] - [ 0.0092413400000000, 0.0331044000000000, -0.0616334400000000 ] - [ 0.0047076400000000, 0.0369384300000000, -0.0601312600000000 ] - [ 0.0055080900000000, 0.0369785600000000, -0.0617709600000000 ] - [ 0.0057400500000000, 0.0335107400000000, -0.0593338600000000 ] - [ 0.0020790400000000, 0.0012508600000000, 0.0003517700000000 ] - [ 0.0040219500000000, 0.0038049600000000, -0.0037151000000000 ] - [ 0.0016804300000000, 0.0038953300000000, -0.0013323400000000 ] - [ 0.0042141200000000, 0.0017404700000000, -0.0031758800000000 ] - [ 0.0060049400000000, -0.0357540400000000, -0.0585493700000000 ] - [ 0.0066606000000000, -0.0345680300000000, -0.0638430100000000 ] - [ 0.0035129500000000, -0.0362986100000000, -0.0603578900000000 ] - [ 0.0024515200000000, -0.0340637300000000, -0.0613878100000000 ] - [ 0.0020891500000000, -0.0017160100000000, -0.0101640000000000 ] - [ 0.0141532300000000, 0.0168106100000000, -0.0358430200000000 ] - [ 0.0008028100000000, 0.0001471000000000, -0.0116421000000000 ] - [ -0.0022063600000000, -0.0018297000000000, -0.0120541100000000 ] - [ 0.0164355600000000, -0.0170702800000000, 0.0102440700000000 ] - [ 0.0036952500000000, -0.0002918900000000, -0.0131390200000000 ] - [ -0.0010971400000000, -0.0014843900000000, -0.0108078000000000 ] - [ 0.0020396100000000, -0.0029322600000000, -0.0113510400000000 ] - [ 0.0401153600000000, 0.0237750700000000, 0.0355693400000000 ] - [ 0.0517061100000000, 0.0006381700000000, 0.0206665900000000 ] - [ 0.0008186900000000, 0.0128280900000000, 0.0274563800000000 ] - [ -0.0001453100000000, 0.0146443700000000, 0.0279516900000000 ] - [ -0.2541572100000000, 0.0186952800000000, 0.0316810100000000 ] - [ 0.0122561000000000, 0.0109575600000000, 0.0265063100000000 ] - [ -0.0059395600000000, 0.0112632400000000, 0.0268339000000000 ] - [ 0.0028887600000000, 0.0110276600000000, 0.0267706700000000 ] - [ -0.0027370700000000, -0.0046990600000000, 0.0015306000000000 ] - [ -0.0002180700000000, -0.0010903900000000, -0.0013708500000000 ] - [ 0.0010920600000000, 0.0204640100000000, -0.0103515300000000 ] - [ 0.0015641200000000, -0.0038793600000000, 0.0008885000000000 ] - [ -0.0007402500000000, 0.0006721200000000, -0.0022170000000000 ] - [ 0.0021311000000000, -0.0021901400000000, 0.0000297200000000 ] - [ 0.0023255900000000, -0.0259497700000000, 0.0112095200000000 ] - [ 0.0033951500000000, 0.0004092700000000, -0.0023686600000000 ] - [ 0.0032649300000000, -0.0027156700000000, -0.0015718300000000 ] - [ 0.0139318300000000, 0.0146647000000000, 0.0258341500000000 ] - [ 0.0014621600000000, -0.0004060200000000, 0.0003135300000000 ] - [ 0.0001360000000000, -0.0024938000000000, -0.0009032300000000 ] - [ -0.0120570000000000, 0.0215659100000000, -0.0611920700000000 ] - [ 0.0053004500000000, 0.0222068700000000, -0.0609582900000000 ] - [ -0.0081973600000000, 0.0213813900000000, -0.0608317700000000 ] - [ 0.0036243400000000, 0.0217262500000000, -0.0609318300000000 ] - [ -0.0007758800000000, -0.0068418600000000, 0.0014654200000000 ] - [ 0.0028905600000000, -0.0028468300000000, 0.0057402800000000 ] - [ -0.0005424300000000, -0.0031226300000000, 0.0028995600000000 ] - [ 0.0030419300000000, -0.0038715000000000, 0.0053223400000000 ] - [ -0.0031107000000000, -0.0001895700000000, 0.0058649100000000 ] - [ 0.0006032300000000, -0.0030402900000000, 0.0022291400000000 ] - [ -0.0028820200000000, -0.0018698500000000, 0.0058402600000000 ] - [ 0.0004697900000000, -0.0019245600000000, 0.0030035100000000 ] - [ 0.0010554300000000, -0.0002302900000000, -0.0126339900000000 ] - [ -0.0022728400000000, 0.0016172300000000, -0.0096181800000000 ] - [ 0.0006577900000000, 0.0006130800000000, -0.0122468700000000 ] - [ -0.0018367300000000, -0.0005936900000000, -0.0100377600000000 ] - [ -0.0011115500000000, 0.0008512700000000, -0.0141689300000000 ] - [ 0.0019018300000000, 0.0025752300000000, -0.0107309300000000 ] - [ -0.0007723800000000, 0.0026698800000000, -0.0129208000000000 ] - [ 0.0017380900000000, 0.0016617200000000, -0.0108453500000000 ] - [ 0.0006969600000000, -0.0135846600000000, 0.0272110700000000 ] - [ -0.0003304800000000, -0.0139359300000000, 0.0278597200000000 ] - [ 0.0003872000000000, -0.0123522900000000, 0.0267290300000000 ] - [ -0.0001127800000000, -0.0148922800000000, 0.0282299600000000 ] - [ -0.0057078700000000, -0.0114665200000000, 0.0266902600000000 ] - [ 0.0029421600000000, -0.0110893400000000, 0.0266420500000000 ] - [ -0.0055259600000000, -0.0115946600000000, 0.0267483500000000 ] - [ 0.0029586900000000, -0.0110823200000000, 0.0266919100000000 ] - [ -0.0031499000000000, 0.0027758200000000, 0.0016326100000000 ] - [ 0.0000501300000000, 0.0010188400000000, -0.0019195500000000 ] - [ -0.0024725400000000, 0.0007287300000000, -0.0007289700000000 ] - [ -0.0005717500000000, 0.0017826600000000, -0.0008284000000000 ] - [ -0.0011574900000000, 0.0001442000000000, -0.0046127600000000 ] - [ 0.0021631200000000, 0.0020311200000000, 0.0000689700000000 ] - [ -0.0002254100000000, 0.0020283200000000, -0.0013471600000000 ] - [ 0.0016586400000000, 0.0012493800000000, -0.0010441800000000 ] - [ 0.0016364000000000, 0.0002066100000000, 0.0007258300000000 ] - [ -0.0002172500000000, 0.0030286000000000, -0.0033336300000000 ] - [ 0.0015822500000000, 0.0011913100000000, 0.0003589800000000 ] - [ -0.0003007100000000, -0.0003788800000000, -0.0009165800000000 ] - [ -0.0111540600000000, -0.0210995500000000, -0.0603609700000000 ] - [ 0.0045572000000000, -0.0216894600000000, -0.0609813600000000 ] - [ -0.0048448500000000, -0.0217186300000000, -0.0610183600000000 ] - [ 0.0017957300000000, -0.0218273300000000, -0.0610237800000000 ] - [ 0.0043063800000000, 0.0104761100000000, 0.0164843600000000 ] - [ 0.0052193200000000, 0.0034352900000000, 0.0028992300000000 ] - [ 0.0000733000000000, 0.0030631200000000, 0.0052168900000000 ] - [ 0.0028257600000000, 0.0039903600000000, 0.0048217700000000 ] - [ 0.0006166700000000, -0.0053843600000000, -0.0116535500000000 ] - [ 0.0020547100000000, 0.0025503400000000, 0.0056376100000000 ] - [ -0.0030372000000000, 0.0021571100000000, 0.0035624800000000 ] - [ 0.0001900400000000, 0.0019397800000000, 0.0036312900000000 ]- atom: 77 displacement: [ -0.0099999993466229, 0.0000000000000000, 0.0000036149054082 ] forces: - [ -0.0213594100000000, 0.0039664800000000, 0.0065727700000000 ] - [ 0.0063323200000000, 0.0062507000000000, 0.0049896000000000 ] - [ -0.0103695900000000, 0.0069668100000000, 0.0053143300000000 ] - [ 0.0067070400000000, 0.0058817400000000, 0.0048227100000000 ] - [ 0.0018752700000000, 0.0013367400000000, -0.0103634300000000 ] - [ 0.0015070700000000, -0.0039481500000000, 0.0002550000000000 ] - [ -0.0008727300000000, -0.0028725900000000, -0.0055970600000000 ] - [ -0.0011009100000000, -0.0020213800000000, -0.0043524100000000 ] - [ -0.0054006900000000, -0.0056636800000000, 0.0038604200000000 ] - [ 0.0057796600000000, -0.0060271000000000, 0.0049290700000000 ] - [ -0.0028734200000000, -0.0069974400000000, 0.0047145900000000 ] - [ 0.0050587100000000, -0.0062480200000000, 0.0048768300000000 ] - [ 0.0020619100000000, -0.0034105700000000, -0.0025233400000000 ] - [ 0.0022714200000000, 0.0081203400000000, -0.0072636100000000 ] - [ -0.0000629300000000, 0.0069922800000000, -0.0008053000000000 ] - [ 0.0010768300000000, -0.0046604100000000, -0.0106112800000000 ] - [ 0.0134039900000000, -0.0228072700000000, -0.0263106500000000 ] - [ -0.0783105600000000, -0.0154167000000000, -0.0301245400000000 ] - [ -0.0055257600000000, -0.0187441000000000, -0.0248568500000000 ] - [ -0.0136618500000000, -0.0170388800000000, -0.0268912000000000 ] - [ -0.0150032000000000, -0.0103345800000000, -0.0189659200000000 ] - [ 0.0344096100000000, -0.0083962200000000, -0.0203934800000000 ] - [ 0.0064814600000000, -0.0172718600000000, -0.0216307200000000 ] - [ 0.0126059900000000, -0.0148518700000000, -0.0239854300000000 ] - [ 0.0293716100000000, -0.0262741100000000, 0.0656849900000000 ] - [ 0.0110728300000000, -0.0116909900000000, 0.0757058900000000 ] - [ 0.0258998200000000, -0.0238072800000000, 0.0653768600000000 ] - [ 0.0179444800000000, -0.0339929200000000, 0.0793101500000000 ] - [ -0.0294384800000000, -0.0418906000000000, 0.0590495500000000 ] - [ -0.0152245000000000, -0.0203444800000000, 0.0703178300000000 ] - [ -0.0243382400000000, -0.0154112100000000, 0.0581008600000000 ] - [ -0.0162703100000000, -0.0259949500000000, 0.0702229700000000 ] - [ -0.0056995200000000, 0.0175386600000000, -0.0260758600000000 ] - [ -0.0138751100000000, 0.0188589500000000, -0.0260015500000000 ] - [ -0.0056529800000000, 0.0190013600000000, -0.0256354000000000 ] - [ -0.0132426400000000, 0.0156433000000000, -0.0253573900000000 ] - [ 0.0062129800000000, 0.0139544100000000, -0.0240939000000000 ] - [ 0.0124117900000000, 0.0157646800000000, -0.0241040800000000 ] - [ 0.0060795500000000, 0.0165324800000000, -0.0240401500000000 ] - [ 0.0127265500000000, 0.0142278300000000, -0.0238128200000000 ] - [ -0.0277400600000000, 0.0220595600000000, 0.0812697500000000 ] - [ -0.0144316100000000, 0.0253204800000000, 0.0653788100000000 ] - [ -0.0249272000000000, 0.0228051900000000, 0.0686226400000000 ] - [ -0.0193478700000000, 0.0227878600000000, 0.0681287800000000 ] - [ 0.0271827400000000, 0.0243275300000000, 0.0695048500000000 ] - [ 0.0129560700000000, 0.0284521000000000, 0.0503738900000000 ] - [ 0.0236247300000000, 0.0258714200000000, 0.0671727100000000 ] - [ 0.0166085200000000, 0.0257930700000000, 0.0665558400000000 ] - [ -0.0111759300000000, 0.0146853800000000, 0.0265523400000000 ] - [ -0.0002217400000000, -0.0067914800000000, -0.0058005300000000 ] - [ 0.0030431800000000, -0.0042728000000000, -0.0026216200000000 ] - [ 0.0018218400000000, -0.0020737400000000, -0.0014904600000000 ] - [ -0.0041505900000000, 0.0370950400000000, -0.0601467200000000 ] - [ 0.0003908800000000, 0.0332683700000000, -0.0616479400000000 ] - [ -0.0004610800000000, 0.0332517000000000, -0.0600070900000000 ] - [ -0.0006420800000000, 0.0367125700000000, -0.0624420900000000 ] - [ 0.0032767000000000, 0.0043001600000000, -0.0044930700000000 ] - [ 0.0013610700000000, 0.0017341300000000, -0.0004208600000000 ] - [ 0.0036847600000000, 0.0016570000000000, -0.0028102700000000 ] - [ 0.0011660100000000, 0.0038018900000000, -0.0009644700000000 ] - [ -0.0009804700000000, -0.0344601500000000, -0.0632199200000000 ] - [ -0.0015299100000000, -0.0356459200000000, -0.0579272800000000 ] - [ 0.0015233600000000, -0.0339205900000000, -0.0614250000000000 ] - [ 0.0026486100000000, -0.0361550500000000, -0.0603942500000000 ] - [ -0.0034001400000000, 0.0007454600000000, -0.0130600800000000 ] - [ -0.0155984200000000, -0.0180342900000000, 0.0129464000000000 ] - [ -0.0021233200000000, -0.0010965000000000, -0.0116056000000000 ] - [ 0.0008986200000000, 0.0008849200000000, -0.0112047300000000 ] - [ -0.0154557100000000, 0.0127433400000000, -0.0327841400000000 ] - [ -0.0028969900000000, -0.0037556800000000, -0.0097640800000000 ] - [ 0.0018825500000000, -0.0025370400000000, -0.0121224700000000 ] - [ -0.0012322100000000, -0.0010929600000000, -0.0115757200000000 ] - [ -0.0400898100000000, 0.0039597500000000, 0.0198542700000000 ] - [ -0.0528972100000000, 0.0271301700000000, 0.0347506200000000 ] - [ -0.0013449000000000, 0.0147687400000000, 0.0278346600000000 ] - [ -0.0003269700000000, 0.0129544100000000, 0.0273374100000000 ] - [ 0.2546295100000000, 0.0006819500000000, 0.0218707500000000 ] - [ -0.0140794400000000, 0.0115796300000000, 0.0270414400000000 ] - [ 0.0040934200000000, 0.0112806300000000, 0.0267031300000000 ] - [ -0.0047203000000000, 0.0115151400000000, 0.0267606900000000 ] - [ -0.0001906500000000, 0.0016519500000000, -0.0025822300000000 ] - [ -0.0026478100000000, -0.0019763600000000, 0.0002473000000000 ] - [ -0.0040803500000000, -0.0233885400000000, 0.0091937200000000 ] - [ -0.0044404100000000, 0.0008481300000000, -0.0020376500000000 ] - [ 0.0023736300000000, -0.0037709600000000, -0.0001131400000000 ] - [ -0.0005440600000000, -0.0009571000000000, -0.0024029900000000 ] - [ -0.0005905700000000, 0.0228702400000000, -0.0136023900000000 ] - [ -0.0018005800000000, -0.0035187200000000, -0.0000353700000000 ] - [ -0.0020256500000000, 0.0012232800000000, 0.0011235900000000 ] - [ -0.0127532900000000, -0.0163024700000000, -0.0265583100000000 ] - [ -0.0002344700000000, -0.0010604500000000, -0.0007342800000000 ] - [ 0.0010993800000000, 0.0010295100000000, 0.0004914800000000 ] - [ 0.0093004900000000, 0.0218130900000000, -0.0607057500000000 ] - [ -0.0079887300000000, 0.0211294900000000, -0.0610168000000000 ] - [ 0.0054810700000000, 0.0219576400000000, -0.0611355100000000 ] - [ -0.0063207500000000, 0.0216176700000000, -0.0610401200000000 ] - [ 0.0031939100000000, -0.0008365500000000, 0.0079794400000000 ] - [ -0.0004409700000000, -0.0048131400000000, 0.0037317100000000 ] - [ 0.0029655400000000, -0.0045252900000000, 0.0065774900000000 ] - [ -0.0005923200000000, -0.0037767700000000, 0.0041560600000000 ] - [ 0.0006407600000000, -0.0038271100000000, 0.0014616600000000 ] - [ -0.0030769600000000, -0.0009838100000000, 0.0050885200000000 ] - [ 0.0004137900000000, -0.0021447200000000, 0.0015016400000000 ] - [ -0.0029454900000000, -0.0020814600000000, 0.0043274200000000 ] - [ -0.0023687100000000, 0.0011742700000000, -0.0106294800000000 ] - [ 0.0009633300000000, -0.0006704800000000, -0.0136395200000000 ] - [ -0.0019757900000000, 0.0003397200000000, -0.0110101000000000 ] - [ 0.0005205100000000, 0.0015392900000000, -0.0132121900000000 ] - [ 0.0018951000000000, 0.0031631300000000, -0.0087862100000000 ] - [ -0.0010958100000000, 0.0014480600000000, -0.0122061700000000 ] - [ 0.0015667300000000, 0.0013557400000000, -0.0100153000000000 ] - [ -0.0009313800000000, 0.0023669000000000, -0.0120877200000000 ] - [ -0.0012128700000000, -0.0140145100000000, 0.0280709400000000 ] - [ -0.0001585300000000, -0.0136638000000000, 0.0274256100000000 ] - [ -0.0009033500000000, -0.0152373100000000, 0.0285495400000000 ] - [ -0.0003754800000000, -0.0127058800000000, 0.0270546800000000 ] - [ 0.0038632000000000, -0.0110690300000000, 0.0268368400000000 ] - [ -0.0047704300000000, -0.0114541600000000, 0.0268852700000000 ] - [ 0.0036819800000000, -0.0109491800000000, 0.0267802600000000 ] - [ -0.0047877100000000, -0.0114589700000000, 0.0268370400000000 ] - [ 0.0002629200000000, 0.0002764200000000, -0.0027612200000000 ] - [ -0.0029171700000000, 0.0020431200000000, 0.0007946000000000 ] - [ -0.0004035200000000, 0.0023219400000000, -0.0004102000000000 ] - [ -0.0022952000000000, 0.0012737100000000, -0.0003033300000000 ] - [ 0.0027528800000000, 0.0029818800000000, 0.0022226000000000 ] - [ -0.0005762700000000, 0.0011083800000000, -0.0024485200000000 ] - [ 0.0018126300000000, 0.0011036300000000, -0.0010462800000000 ] - [ -0.0000731100000000, 0.0018809800000000, -0.0013457500000000 ] - [ -0.0004099400000000, 0.0012628200000000, -0.0011501300000000 ] - [ 0.0014606600000000, -0.0015447000000000, 0.0029038900000000 ] - [ -0.0003546900000000, 0.0002848800000000, -0.0007875200000000 ] - [ 0.0015352900000000, 0.0018548700000000, 0.0004872500000000 ] - [ 0.0084341100000000, -0.0222842900000000, -0.0617956800000000 ] - [ -0.0072534300000000, -0.0216481000000000, -0.0609777800000000 ] - [ 0.0021353500000000, -0.0216301900000000, -0.0609673500000000 ] - [ -0.0044964000000000, -0.0215087800000000, -0.0609424500000000 ] - [ -0.0019526500000000, -0.0027799700000000, -0.0069635200000000 ] - [ -0.0027789200000000, 0.0042208400000000, 0.0066098300000000 ] - [ 0.0022654700000000, 0.0046697700000000, 0.0042418500000000 ] - [ -0.0003741100000000, 0.0036557200000000, 0.0046642600000000 ] - [ -0.0029464300000000, 0.0094128800000000, 0.0189754400000000 ] - [ -0.0045245000000000, 0.0014673500000000, 0.0017284400000000 ] - [ 0.0006361400000000, 0.0019194000000000, 0.0037543900000000 ] - [ -0.0026720200000000, 0.0020653200000000, 0.0037095200000000 ]- atom: 77 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0034105600000000, 0.0075070200000000, 0.0046284900000000 ] - [ 0.0019136300000000, 0.0064445700000000, 0.0048190400000000 ] - [ 0.0007762600000000, -0.0029566200000000, 0.0002594800000000 ] - [ 0.0019714300000000, 0.0058664700000000, 0.0045550500000000 ] - [ -0.0014958400000000, -0.0012541600000000, -0.0045120900000000 ] - [ -0.0015374900000000, -0.0010488600000000, -0.0042881400000000 ] - [ -0.0014556700000000, -0.0027215600000000, -0.0048385200000000 ] - [ -0.0016126900000000, -0.0029130500000000, -0.0048410100000000 ] - [ 0.0015015100000000, -0.0046367500000000, 0.0050857500000000 ] - [ 0.0019167600000000, -0.0059834100000000, 0.0050790600000000 ] - [ 0.0015359900000000, -0.0074599700000000, 0.0053413700000000 ] - [ 0.0018719300000000, -0.0065875000000000, 0.0050995700000000 ] - [ 0.0008328400000000, 0.0013074700000000, -0.0041179800000000 ] - [ -0.0035004400000000, 0.0017788000000000, -0.0043356100000000 ] - [ -0.0024436100000000, 0.0012804900000000, -0.0058070400000000 ] - [ -0.0002745000000000, 0.0007362000000000, -0.0062837000000000 ] - [ -0.0114288100000000, -0.0166443400000000, -0.0255577000000000 ] - [ -0.0289666700000000, 0.0041063200000000, -0.0284412600000000 ] - [ -0.0089977100000000, -0.0184416800000000, -0.0258917100000000 ] - [ -0.0110416400000000, -0.0225493200000000, -0.0268796200000000 ] - [ 0.0239341300000000, 0.0068931400000000, -0.0241314500000000 ] - [ 0.0130251100000000, -0.0135468900000000, -0.0231305600000000 ] - [ 0.0105242500000000, -0.0195526800000000, -0.0252926400000000 ] - [ 0.0090163700000000, -0.0158916100000000, -0.0240897900000000 ] - [ 0.0206953500000000, -0.0256739600000000, 0.0671684600000000 ] - [ 0.0161432600000000, -0.0257687300000000, 0.0641030000000000 ] - [ 0.0193585900000000, -0.0265727400000000, 0.0672229700000000 ] - [ 0.0225811700000000, -0.0305517700000000, 0.0745998500000000 ] - [ -0.0189042600000000, -0.0219002100000000, 0.0660434100000000 ] - [ -0.0228300900000000, -0.0219901200000000, 0.0686740300000000 ] - [ -0.0251070000000000, -0.0269907300000000, 0.0739348000000000 ] - [ -0.0206581800000000, -0.0239508500000000, 0.0685435000000000 ] - [ -0.0091906600000000, 0.0177661900000000, -0.0252941100000000 ] - [ -0.0103068000000000, 0.0174872400000000, -0.0251076000000000 ] - [ -0.0094528300000000, 0.0180386900000000, -0.0249754200000000 ] - [ -0.0098181200000000, 0.0181669100000000, -0.0242604900000000 ] - [ 0.0096065100000000, 0.0147522700000000, -0.0230038200000000 ] - [ 0.0091971700000000, 0.0152420200000000, -0.0234983900000000 ] - [ 0.0091534300000000, 0.0158371700000000, -0.0224658100000000 ] - [ 0.0095827500000000, 0.0153488900000000, -0.0230602600000000 ] - [ -0.0201819800000000, 0.0295448700000000, 0.0694647300000000 ] - [ -0.0223329200000000, 0.0236739100000000, 0.0679406300000000 ] - [ -0.0220521900000000, 0.0195203500000000, 0.0700634700000000 ] - [ -0.0227404300000000, 0.0223373900000000, 0.0683431200000000 ] - [ 0.0209268100000000, 0.0265780300000000, 0.0668116900000000 ] - [ 0.0176170200000000, 0.0335943600000000, 0.0667000900000000 ] - [ 0.0207428300000000, 0.0256623500000000, 0.0670245000000000 ] - [ 0.0194867600000000, 0.0232500600000000, 0.0686277600000000 ] - [ -0.0010371000000000, -0.0084595000000000, -0.0032573800000000 ] - [ 0.0023141000000000, -0.0038629600000000, -0.0030337300000000 ] - [ 0.0027528000000000, -0.0003029900000000, -0.0005720700000000 ] - [ 0.0026255600000000, -0.0019937700000000, -0.0015816000000000 ] - [ 0.0015734100000000, 0.0350537300000000, -0.0607995800000000 ] - [ 0.0040093700000000, 0.0351154400000000, -0.0607543900000000 ] - [ 0.0040175300000000, 0.0349220900000000, -0.0614655200000000 ] - [ 0.0000464700000000, 0.0350158100000000, -0.0617738200000000 ] - [ 0.0025100100000000, 0.0022245500000000, -0.0028913400000000 ] - [ 0.0028131000000000, 0.0023778100000000, -0.0020870600000000 ] - [ 0.0025335400000000, 0.0039415100000000, -0.0023276500000000 ] - [ 0.0025106400000000, 0.0032788000000000, -0.0020363000000000 ] - [ 0.0015005300000000, -0.0362817500000000, -0.0608322600000000 ] - [ 0.0028898900000000, -0.0364617000000000, -0.0606414600000000 ] - [ 0.0017524300000000, -0.0344052800000000, -0.0613247400000000 ] - [ 0.0033869000000000, -0.0346269800000000, -0.0612065300000000 ] - [ -0.0009494700000000, -0.0010358100000000, -0.0112101100000000 ] - [ 0.0093307300000000, -0.0047509800000000, -0.0155801100000000 ] - [ -0.0006610800000000, -0.0001327300000000, -0.0115860100000000 ] - [ -0.0006502900000000, 0.0014422900000000, -0.0117284400000000 ] - [ -0.0099080000000000, -0.0049456600000000, -0.0159431000000000 ] - [ 0.0004126800000000, -0.0026419200000000, -0.0109708100000000 ] - [ 0.0006632200000000, -0.0003304900000000, -0.0114565800000000 ] - [ 0.0002669600000000, -0.0016105000000000, -0.0114300100000000 ] - [ 0.0041743700000000, 0.0162915400000000, 0.0284351900000000 ] - [ -0.0076865200000000, 0.0182989500000000, 0.0292888100000000 ] - [ -0.0009567400000000, 0.0143832900000000, 0.0280009400000000 ] - [ 0.0006319600000000, 0.0142861300000000, 0.0279059800000000 ] - [ 0.0080794500000000, -0.0541564600000000, 0.0370458300000000 ] - [ -0.0012282800000000, 0.0113413400000000, 0.0267604500000000 ] - [ -0.0009288700000000, 0.0127789600000000, 0.0267775700000000 ] - [ -0.0011612500000000, 0.0114324000000000, 0.0267986200000000 ] - [ -0.0040394400000000, 0.0011346900000000, 0.0021150200000000 ] - [ -0.0013673300000000, -0.0014498600000000, -0.0005869100000000 ] - [ 0.0077653800000000, 0.0104674100000000, -0.0078079600000000 ] - [ -0.0018280700000000, -0.0013636200000000, -0.0006172200000000 ] - [ 0.0032321800000000, 0.0012559100000000, 0.0012750500000000 ] - [ 0.0006434100000000, -0.0015042500000000, -0.0012638200000000 ] - [ -0.0091822300000000, 0.0137282600000000, -0.0103456200000000 ] - [ 0.0009180100000000, -0.0015707200000000, -0.0011779600000000 ] - [ 0.0008100000000000, -0.0013099800000000, -0.0007335200000000 ] - [ 0.0040902900000000, -0.0060203400000000, -0.0009449500000000 ] - [ 0.0005971500000000, -0.0002835800000000, 0.0000931200000000 ] - [ 0.0006374300000000, 0.0015028000000000, 0.0010447400000000 ] - [ -0.0016755000000000, 0.0221433600000000, -0.0582516900000000 ] - [ -0.0015693800000000, 0.0214240200000000, -0.0610407200000000 ] - [ -0.0008955700000000, 0.0229105800000000, -0.0620492500000000 ] - [ -0.0016082700000000, 0.0219387500000000, -0.0611640300000000 ] - [ 0.0011657300000000, -0.0032521300000000, 0.0049247300000000 ] - [ 0.0012508900000000, -0.0038093800000000, 0.0046035600000000 ] - [ 0.0013590800000000, -0.0043945200000000, 0.0039351000000000 ] - [ 0.0010190700000000, -0.0040526100000000, 0.0044382500000000 ] - [ -0.0011028300000000, -0.0015700700000000, 0.0038775000000000 ] - [ -0.0013442900000000, -0.0019271400000000, 0.0035749300000000 ] - [ -0.0011321200000000, -0.0027328300000000, 0.0024013500000000 ] - [ -0.0012403800000000, -0.0022214000000000, 0.0033954400000000 ] - [ -0.0007940900000000, 0.0003943600000000, -0.0116648200000000 ] - [ -0.0003642300000000, 0.0001029100000000, -0.0114990600000000 ] - [ -0.0006643800000000, 0.0005505800000000, -0.0119575800000000 ] - [ -0.0007189000000000, 0.0010797700000000, -0.0130102500000000 ] - [ 0.0002367700000000, 0.0016904600000000, -0.0114121400000000 ] - [ 0.0004118300000000, 0.0018379300000000, -0.0115482500000000 ] - [ 0.0005925700000000, 0.0023977400000000, -0.0125864200000000 ] - [ 0.0002700300000000, 0.0021582400000000, -0.0118567900000000 ] - [ -0.0006508100000000, -0.0136689200000000, 0.0275368400000000 ] - [ 0.0001619100000000, -0.0136738500000000, 0.0275603100000000 ] - [ -0.0002925900000000, -0.0140004200000000, 0.0275162800000000 ] - [ -0.0003838500000000, -0.0138872800000000, 0.0274281600000000 ] - [ -0.0007226000000000, -0.0112010200000000, 0.0266558700000000 ] - [ -0.0010994400000000, -0.0113155400000000, 0.0267095200000000 ] - [ -0.0005977300000000, -0.0113554700000000, 0.0265674900000000 ] - [ -0.0011051400000000, -0.0113277200000000, 0.0266651500000000 ] - [ -0.0014898600000000, 0.0005076900000000, -0.0013709400000000 ] - [ -0.0014415900000000, 0.0013458700000000, -0.0007308100000000 ] - [ -0.0013697800000000, 0.0018754600000000, -0.0007737800000000 ] - [ -0.0013931000000000, 0.0015711600000000, -0.0006239700000000 ] - [ 0.0009895500000000, 0.0006501400000000, -0.0017654800000000 ] - [ 0.0006612000000000, 0.0013520900000000, -0.0014765500000000 ] - [ 0.0007999100000000, 0.0018042400000000, -0.0014426000000000 ] - [ 0.0006738500000000, 0.0015902300000000, -0.0013208200000000 ] - [ 0.0004125000000000, 0.0005634200000000, -0.0003587900000000 ] - [ 0.0008600200000000, 0.0001080000000000, -0.0005985800000000 ] - [ 0.0005887800000000, 0.0010233000000000, -0.0003127100000000 ] - [ 0.0007263500000000, 0.0017510100000000, -0.0004758300000000 ] - [ -0.0008712900000000, -0.0268034700000000, -0.0666268800000000 ] - [ -0.0016355900000000, -0.0218355500000000, -0.0609586200000000 ] - [ -0.0011968600000000, -0.0202054500000000, -0.0603704200000000 ] - [ -0.0015477500000000, -0.0213922900000000, -0.0608847300000000 ] - [ 0.0068177900000000, 0.0038389100000000, 0.0115068000000000 ] - [ 0.0007478200000000, 0.0035565900000000, 0.0052581900000000 ] - [ -0.0038798500000000, 0.0092807900000000, 0.0034891600000000 ] - [ 0.0014488600000000, 0.0040353500000000, 0.0048545200000000 ] - [ -0.0075214300000000, 0.0027245600000000, 0.0129582400000000 ] - [ -0.0011339100000000, 0.0017370700000000, 0.0041329800000000 ] - [ 0.0028970100000000, 0.0066124900000000, 0.0027300100000000 ] - [ -0.0015451200000000, 0.0021644600000000, 0.0038102400000000 ]- atom: 77 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000347700000000, 0.0043463400000000, 0.0054700000000000 ] - [ 0.0015390400000000, 0.0060479600000000, 0.0049173300000000 ] - [ 0.0026842300000000, 0.0154483100000000, 0.0094530400000000 ] - [ 0.0014788400000000, 0.0066571600000000, 0.0051856700000000 ] - [ -0.0015614200000000, -0.0029087400000000, -0.0053061200000000 ] - [ -0.0015254600000000, -0.0031125700000000, -0.0055380200000000 ] - [ -0.0016062100000000, -0.0014595400000000, -0.0049613000000000 ] - [ -0.0014371700000000, -0.0012674300000000, -0.0049620400000000 ] - [ 0.0019584400000000, -0.0078691300000000, 0.0046338900000000 ] - [ 0.0015364500000000, -0.0065222900000000, 0.0046517700000000 ] - [ 0.0019195600000000, -0.0050463100000000, 0.0043906500000000 ] - [ 0.0015809000000000, -0.0059228200000000, 0.0046349300000000 ] - [ -0.0039129000000000, 0.0028493500000000, -0.0056833800000000 ] - [ 0.0004601900000000, 0.0023753200000000, -0.0054662000000000 ] - [ -0.0006237900000000, 0.0029244200000000, -0.0039768600000000 ] - [ -0.0027791900000000, 0.0034769400000000, -0.0034894000000000 ] - [ -0.0078035800000000, -0.0188950500000000, -0.0254326400000000 ] - [ 0.0095020600000000, -0.0398277300000000, -0.0224762700000000 ] - [ -0.0103185500000000, -0.0170745200000000, -0.0251034600000000 ] - [ -0.0082227100000000, -0.0129346800000000, -0.0241047700000000 ] - [ -0.0050999800000000, -0.0373954500000000, -0.0229053400000000 ] - [ 0.0055736100000000, -0.0168405900000000, -0.0239979200000000 ] - [ 0.0081386300000000, -0.0107723900000000, -0.0218110800000000 ] - [ 0.0096843300000000, -0.0144691200000000, -0.0230301800000000 ] - [ 0.0193155500000000, -0.0266768200000000, 0.0668031700000000 ] - [ 0.0239209600000000, -0.0266413300000000, 0.0698928500000000 ] - [ 0.0206417400000000, -0.0257596500000000, 0.0667400900000000 ] - [ 0.0174522100000000, -0.0217807900000000, 0.0594043800000000 ] - [ -0.0257271200000000, -0.0241515100000000, 0.0705623600000000 ] - [ -0.0217624200000000, -0.0240234600000000, 0.0678910600000000 ] - [ -0.0195009600000000, -0.0189918400000000, 0.0626734300000000 ] - [ -0.0239218800000000, -0.0220243900000000, 0.0680169800000000 ] - [ -0.0101186100000000, 0.0177495700000000, -0.0257077700000000 ] - [ -0.0089803400000000, 0.0180276900000000, -0.0259003600000000 ] - [ -0.0098531700000000, 0.0174864600000000, -0.0260217100000000 ] - [ -0.0094743400000000, 0.0173625000000000, -0.0267384300000000 ] - [ 0.0090784200000000, 0.0156065400000000, -0.0241330200000000 ] - [ 0.0094963200000000, 0.0151147400000000, -0.0236257000000000 ] - [ 0.0095340500000000, 0.0145284700000000, -0.0246610600000000 ] - [ 0.0091091600000000, 0.0150178000000000, -0.0240609900000000 ] - [ -0.0244459700000000, 0.0164167500000000, 0.0671217000000000 ] - [ -0.0222537000000000, 0.0223044900000000, 0.0686528400000000 ] - [ -0.0225576400000000, 0.0265092800000000, 0.0664755500000000 ] - [ -0.0218385000000000, 0.0236574300000000, 0.0682318800000000 ] - [ 0.0190759900000000, 0.0257546000000000, 0.0671787100000000 ] - [ 0.0224375300000000, 0.0187080200000000, 0.0673048700000000 ] - [ 0.0192550100000000, 0.0266852300000000, 0.0669495600000000 ] - [ 0.0205534800000000, 0.0291233700000000, 0.0653135400000000 ] - [ 0.0063601700000000, 0.0029933500000000, -0.0008127900000000 ] - [ 0.0030636100000000, -0.0016497800000000, -0.0010671800000000 ] - [ 0.0026262700000000, -0.0052420800000000, -0.0035726600000000 ] - [ 0.0027452100000000, -0.0035475200000000, -0.0025488500000000 ] - [ 0.0035028700000000, 0.0351794800000000, -0.0609820100000000 ] - [ 0.0010516500000000, 0.0351191500000000, -0.0610261300000000 ] - [ 0.0010777800000000, 0.0352942100000000, -0.0603155600000000 ] - [ 0.0050052400000000, 0.0351976000000000, -0.0600070400000000 ] - [ 0.0028687400000000, 0.0033182800000000, -0.0012317600000000 ] - [ 0.0025571200000000, 0.0031661000000000, -0.0020437900000000 ] - [ 0.0028452700000000, 0.0015801500000000, -0.0017973800000000 ] - [ 0.0028641700000000, 0.0022518700000000, -0.0020942500000000 ] - [ 0.0035924700000000, -0.0339360800000000, -0.0609553000000000 ] - [ 0.0021691100000000, -0.0337523300000000, -0.0611497900000000 ] - [ 0.0033417700000000, -0.0358224600000000, -0.0604519000000000 ] - [ 0.0016628100000000, -0.0355973100000000, -0.0605717700000000 ] - [ -0.0003715200000000, 0.0000878700000000, -0.0120550100000000 ] - [ -0.0107009600000000, 0.0038966300000000, -0.0076846000000000 ] - [ -0.0006599300000000, -0.0008353200000000, -0.0116671600000000 ] - [ -0.0006810200000000, -0.0024243000000000, -0.0115174500000000 ] - [ 0.0107527200000000, 0.0010247900000000, -0.0070002000000000 ] - [ 0.0003937600000000, -0.0013749800000000, -0.0119730100000000 ] - [ 0.0001470800000000, -0.0037141000000000, -0.0114687500000000 ] - [ 0.0005368100000000, -0.0024252100000000, -0.0115010000000000 ] - [ -0.0048584800000000, 0.0112714100000000, 0.0267955400000000 ] - [ 0.0074406700000000, 0.0092434400000000, 0.0259464700000000 ] - [ 0.0004757800000000, 0.0132153400000000, 0.0272812900000000 ] - [ -0.0011550600000000, 0.0133174600000000, 0.0273788800000000 ] - [ -0.0099274000000000, 0.0772874800000000, 0.0161146200000000 ] - [ -0.0006077500000000, 0.0112045500000000, 0.0267501000000000 ] - [ -0.0009118100000000, 0.0097548900000000, 0.0267463500000000 ] - [ -0.0006748500000000, 0.0111095000000000, 0.0267281400000000 ] - [ 0.0012132500000000, -0.0042183500000000, -0.0032935500000000 ] - [ -0.0015063200000000, -0.0015984600000000, -0.0005391600000000 ] - [ -0.0104726400000000, -0.0133460900000000, 0.0065858800000000 ] - [ -0.0010367300000000, -0.0017086900000000, -0.0004888100000000 ] - [ -0.0016909600000000, -0.0044200800000000, -0.0037096100000000 ] - [ 0.0009425200000000, -0.0016263100000000, -0.0011218900000000 ] - [ 0.0105747600000000, -0.0166681700000000, 0.0078503700000000 ] - [ 0.0006630100000000, -0.0015773500000000, -0.0011889300000000 ] - [ 0.0004130800000000, -0.0001473200000000, 0.0003187600000000 ] - [ -0.0027967300000000, 0.0046325200000000, 0.0006089000000000 ] - [ 0.0006297500000000, -0.0011866600000000, -0.0005197300000000 ] - [ 0.0005817400000000, -0.0029769000000000, -0.0014820900000000 ] - [ -0.0010315600000000, 0.0211977200000000, -0.0637570000000000 ] - [ -0.0011281900000000, 0.0219199100000000, -0.0609240800000000 ] - [ -0.0018120600000000, 0.0204261300000000, -0.0599188000000000 ] - [ -0.0010925800000000, 0.0214013500000000, -0.0608029300000000 ] - [ 0.0012824400000000, -0.0044030000000000, 0.0045636100000000 ] - [ 0.0011933000000000, -0.0038482100000000, 0.0048822700000000 ] - [ 0.0010862500000000, -0.0032770000000000, 0.0055462700000000 ] - [ 0.0014263000000000, -0.0036117400000000, 0.0050447600000000 ] - [ -0.0013811100000000, -0.0024454900000000, 0.0034638000000000 ] - [ -0.0011329800000000, -0.0020946200000000, 0.0037636300000000 ] - [ -0.0013484800000000, -0.0012992500000000, 0.0049342100000000 ] - [ -0.0012369300000000, -0.0018048200000000, 0.0039402600000000 ] - [ -0.0005277300000000, 0.0005695700000000, -0.0115851600000000 ] - [ -0.0009629600000000, 0.0008649400000000, -0.0117485600000000 ] - [ -0.0006560900000000, 0.0004078900000000, -0.0112958800000000 ] - [ -0.0006081200000000, -0.0001168800000000, -0.0102503000000000 ] - [ 0.0005699500000000, 0.0023464500000000, -0.0115128800000000 ] - [ 0.0003923000000000, 0.0021947900000000, -0.0113784400000000 ] - [ 0.0002153300000000, 0.0016346000000000, -0.0103513900000000 ] - [ 0.0005329200000000, 0.0018689500000000, -0.0110739900000000 ] - [ 0.0001571300000000, -0.0139317700000000, 0.0277489400000000 ] - [ -0.0006695100000000, -0.0139275500000000, 0.0277261400000000 ] - [ -0.0002025100000000, -0.0136047100000000, 0.0277709600000000 ] - [ -0.0001225300000000, -0.0137184000000000, 0.0278591200000000 ] - [ -0.0011199300000000, -0.0113426400000000, 0.0268733200000000 ] - [ -0.0007359500000000, -0.0112260600000000, 0.0268181000000000 ] - [ -0.0012443200000000, -0.0111894400000000, 0.0269592200000000 ] - [ -0.0007303400000000, -0.0112155800000000, 0.0268618200000000 ] - [ -0.0013798800000000, 0.0025496600000000, 0.0002516300000000 ] - [ -0.0014310800000000, 0.0017061700000000, -0.0003931800000000 ] - [ -0.0015016400000000, 0.0011829000000000, -0.0003411200000000 ] - [ -0.0014805900000000, 0.0014860200000000, -0.0004949100000000 ] - [ 0.0005901600000000, 0.0024863700000000, -0.0006178800000000 ] - [ 0.0009241900000000, 0.0017817700000000, -0.0009067600000000 ] - [ 0.0007821600000000, 0.0013363300000000, -0.0009302500000000 ] - [ 0.0009129600000000, 0.0015478100000000, -0.0010569300000000 ] - [ 0.0008154900000000, 0.0009079200000000, -0.0000665600000000 ] - [ 0.0003591600000000, 0.0013669500000000, 0.0001738800000000 ] - [ 0.0006368700000000, 0.0004402900000000, -0.0001126600000000 ] - [ 0.0004934300000000, -0.0002954700000000, 0.0000506100000000 ] - [ -0.0018381500000000, -0.0164505100000000, -0.0552949400000000 ] - [ -0.0010643800000000, -0.0215040600000000, -0.0610142200000000 ] - [ -0.0015089100000000, -0.0231422000000000, -0.0615925300000000 ] - [ -0.0011527900000000, -0.0219550300000000, -0.0610869200000000 ] - [ -0.0043368600000000, 0.0038123500000000, -0.0020031400000000 ] - [ 0.0017065200000000, 0.0041046000000000, 0.0042048700000000 ] - [ 0.0064127800000000, -0.0016975100000000, 0.0060156500000000 ] - [ 0.0009918200000000, 0.0036294000000000, 0.0046259800000000 ] - [ 0.0050022800000000, 0.0012779500000000, -0.0056206200000000 ] - [ -0.0013507500000000, 0.0022860800000000, 0.0031839000000000 ] - [ -0.0054483300000000, -0.0026539900000000, 0.0046225700000000 ] - [ -0.0009293400000000, 0.0018602500000000, 0.0035241200000000 ]- atom: 77 displacement: [ 0.0000055737063633, 0.0000000000000000, 0.0099999984466897 ] forces: - [ 0.0010581700000000, 0.0062032800000000, 0.0118269500000000 ] - [ 0.0018099000000000, 0.0062456500000000, 0.0054092300000000 ] - [ 0.0015756800000000, 0.0030575100000000, 0.0071425900000000 ] - [ 0.0018289500000000, 0.0063605100000000, 0.0053298400000000 ] - [ -0.0007394000000000, -0.0014841400000000, -0.0063654400000000 ] - [ -0.0025464700000000, -0.0016603300000000, -0.0063315900000000 ] - [ -0.0015091900000000, -0.0022975600000000, -0.0052613500000000 ] - [ -0.0016185600000000, -0.0022169900000000, -0.0052371300000000 ] - [ 0.0018140300000000, -0.0059750500000000, 0.0013781100000000 ] - [ 0.0017977500000000, -0.0061333900000000, 0.0043080800000000 ] - [ 0.0017158200000000, -0.0062097800000000, 0.0042063300000000 ] - [ 0.0017859700000000, -0.0062130500000000, 0.0045449800000000 ] - [ -0.0029230000000000, 0.0031104000000000, -0.0049843600000000 ] - [ -0.0002554900000000, 0.0031510000000000, -0.0049556600000000 ] - [ -0.0027259100000000, 0.0015243600000000, -0.0039246400000000 ] - [ -0.0004208500000000, 0.0011390800000000, -0.0040305200000000 ] - [ -0.0079647900000000, -0.0182521300000000, -0.0241696100000000 ] - [ -0.0144158800000000, -0.0169967800000000, -0.0068700800000000 ] - [ -0.0097909400000000, -0.0178733900000000, -0.0246481900000000 ] - [ -0.0093675600000000, -0.0173115200000000, -0.0233271900000000 ] - [ 0.0123638500000000, -0.0126881100000000, -0.0030070900000000 ] - [ 0.0087797000000000, -0.0153332100000000, -0.0221842600000000 ] - [ 0.0090217100000000, -0.0147441500000000, -0.0214052200000000 ] - [ 0.0094967500000000, -0.0152180600000000, -0.0226953800000000 ] - [ 0.0212885900000000, -0.0259242200000000, 0.0668887700000000 ] - [ 0.0185112600000000, -0.0313884300000000, 0.0653931100000000 ] - [ 0.0205818300000000, -0.0257822200000000, 0.0667225700000000 ] - [ 0.0185638700000000, -0.0239131500000000, 0.0640056600000000 ] - [ -0.0211714700000000, -0.0280262500000000, 0.0673163500000000 ] - [ -0.0231277900000000, -0.0227996700000000, 0.0682169600000000 ] - [ -0.0210385900000000, -0.0206116800000000, 0.0658773700000000 ] - [ -0.0229910900000000, -0.0224888200000000, 0.0681074400000000 ] - [ -0.0097690500000000, 0.0177234500000000, -0.0265840500000000 ] - [ -0.0096289200000000, 0.0180003500000000, -0.0279026800000000 ] - [ -0.0095951500000000, 0.0174840800000000, -0.0264512400000000 ] - [ -0.0094998200000000, 0.0171423800000000, -0.0277276400000000 ] - [ 0.0093865400000000, 0.0155126800000000, -0.0261060800000000 ] - [ 0.0095191500000000, 0.0152768500000000, -0.0246899800000000 ] - [ 0.0091481200000000, 0.0147096200000000, -0.0254269400000000 ] - [ 0.0093773800000000, 0.0148933000000000, -0.0245164600000000 ] - [ -0.0273487800000000, 0.0231908000000000, 0.0632438600000000 ] - [ -0.0203126600000000, 0.0235630500000000, 0.0682437700000000 ] - [ -0.0226875000000000, 0.0240143500000000, 0.0675104400000000 ] - [ -0.0218489700000000, 0.0231543600000000, 0.0682562100000000 ] - [ 0.0185236600000000, 0.0263581100000000, 0.0671070700000000 ] - [ 0.0251597600000000, 0.0266558500000000, 0.0615408000000000 ] - [ 0.0195211200000000, 0.0263215000000000, 0.0669421300000000 ] - [ 0.0203099400000000, 0.0268875700000000, 0.0662369500000000 ] - [ -0.0063480100000000, -0.0006497200000000, 0.0006519800000000 ] - [ 0.0028204000000000, -0.0030058700000000, -0.0025313100000000 ] - [ 0.0027004600000000, -0.0037931900000000, -0.0028653900000000 ] - [ 0.0027891800000000, -0.0031128400000000, -0.0024624600000000 ] - [ 0.0005964000000000, 0.0358024800000000, -0.0606768000000000 ] - [ 0.0040738900000000, 0.0358322800000000, -0.0606388500000000 ] - [ 0.0017781200000000, 0.0348009100000000, -0.0606510700000000 ] - [ 0.0036079300000000, 0.0349171600000000, -0.0605540400000000 ] - [ 0.0031253400000000, 0.0012993500000000, -0.0004164600000000 ] - [ 0.0023599300000000, 0.0022109900000000, -0.0014384800000000 ] - [ 0.0027279600000000, 0.0025130200000000, -0.0014101000000000 ] - [ 0.0024825300000000, 0.0026789100000000, -0.0016553300000000 ] - [ 0.0050783600000000, -0.0349148000000000, -0.0604177900000000 ] - [ -0.0007827000000000, -0.0348862200000000, -0.0603641800000000 ] - [ 0.0031010800000000, -0.0355034800000000, -0.0606704700000000 ] - [ 0.0020546600000000, -0.0354188600000000, -0.0607056300000000 ] - [ -0.0004481000000000, -0.0000273000000000, -0.0123825800000000 ] - [ -0.0113858500000000, -0.0029286700000000, -0.0099625800000000 ] - [ -0.0005159600000000, -0.0003223100000000, -0.0119488000000000 ] - [ -0.0006963700000000, -0.0003932400000000, -0.0122249500000000 ] - [ 0.0106332600000000, -0.0042001200000000, -0.0098234600000000 ] - [ 0.0001021200000000, -0.0016641800000000, -0.0121684500000000 ] - [ 0.0004973400000000, -0.0019566100000000, -0.0120590200000000 ] - [ 0.0002113100000000, -0.0018076100000000, -0.0118041700000000 ] - [ -0.0047686700000000, 0.0118707600000000, 0.0267631600000000 ] - [ 0.0025130400000000, 0.0128253400000000, 0.0285090400000000 ] - [ -0.0001449200000000, 0.0136091800000000, 0.0271879600000000 ] - [ -0.0004528700000000, 0.0136313900000000, 0.0272189000000000 ] - [ 0.0037371200000000, 0.0219664000000000, -0.0342904100000000 ] - [ -0.0011765100000000, 0.0112744100000000, 0.0262764400000000 ] - [ -0.0008566400000000, 0.0112815800000000, 0.0263584500000000 ] - [ -0.0009071800000000, 0.0113006400000000, 0.0266068200000000 ] - [ -0.0008752200000000, -0.0011995800000000, -0.0025137500000000 ] - [ -0.0013816300000000, -0.0013250800000000, -0.0009026500000000 ] - [ -0.0045193300000000, -0.0073072200000000, -0.0004794200000000 ] - [ -0.0012811700000000, -0.0016652400000000, -0.0006099700000000 ] - [ 0.0003722600000000, -0.0010014700000000, -0.0028793400000000 ] - [ 0.0006985900000000, -0.0012802000000000, -0.0016399000000000 ] - [ 0.0042643200000000, -0.0081201700000000, -0.0012510500000000 ] - [ 0.0005723800000000, -0.0017298800000000, -0.0011759600000000 ] - [ 0.0005298300000000, -0.0008290500000000, -0.0005084900000000 ] - [ 0.0104020400000000, 0.0019674000000000, 0.0030805100000000 ] - [ 0.0005351800000000, -0.0009610200000000, -0.0005164700000000 ] - [ 0.0006015800000000, -0.0016223600000000, -0.0008751000000000 ] - [ -0.0016690100000000, 0.0230834300000000, -0.0590872300000000 ] - [ -0.0015167200000000, 0.0213769200000000, -0.0607251000000000 ] - [ -0.0014027000000000, 0.0210372500000000, -0.0604803600000000 ] - [ -0.0013736600000000, 0.0214923800000000, -0.0608534800000000 ] - [ 0.0012365200000000, -0.0032715700000000, 0.0059351200000000 ] - [ 0.0013280400000000, -0.0037770700000000, 0.0051479400000000 ] - [ 0.0010605200000000, -0.0041725000000000, 0.0056555200000000 ] - [ 0.0014064500000000, -0.0038844400000000, 0.0050645300000000 ] - [ -0.0012107400000000, -0.0016418100000000, 0.0046574300000000 ] - [ -0.0014104800000000, -0.0019000000000000, 0.0041717800000000 ] - [ -0.0010676500000000, -0.0023038900000000, 0.0048145900000000 ] - [ -0.0014019900000000, -0.0020685700000000, 0.0040119900000000 ] - [ -0.0008334600000000, 0.0007530100000000, -0.0111287800000000 ] - [ -0.0005768200000000, 0.0010382600000000, -0.0105262900000000 ] - [ -0.0007712300000000, 0.0006136300000000, -0.0112130700000000 ] - [ -0.0006516000000000, 0.0005596600000000, -0.0108190900000000 ] - [ 0.0003168400000000, 0.0026263100000000, -0.0103062800000000 ] - [ 0.0005376900000000, 0.0022923600000000, -0.0109925600000000 ] - [ 0.0003977500000000, 0.0021330500000000, -0.0106982100000000 ] - [ 0.0005113500000000, 0.0021629000000000, -0.0110299000000000 ] - [ 0.0000348100000000, -0.0139870100000000, 0.0280457200000000 ] - [ -0.0002876700000000, -0.0139512700000000, 0.0280089700000000 ] - [ -0.0001127100000000, -0.0140162000000000, 0.0281665900000000 ] - [ -0.0003072300000000, -0.0139275800000000, 0.0281588900000000 ] - [ -0.0009966900000000, -0.0111622500000000, 0.0273765700000000 ] - [ -0.0010384200000000, -0.0112139800000000, 0.0269888600000000 ] - [ -0.0009386100000000, -0.0110715800000000, 0.0271427100000000 ] - [ -0.0009857700000000, -0.0111675300000000, 0.0269503900000000 ] - [ -0.0014354700000000, 0.0024691900000000, 0.0010079800000000 ] - [ -0.0016590300000000, 0.0018443400000000, -0.0000056900000000 ] - [ -0.0014878300000000, 0.0015111500000000, -0.0001496100000000 ] - [ -0.0015189000000000, 0.0015447700000000, -0.0003464500000000 ] - [ 0.0008322100000000, 0.0026285100000000, 0.0005607500000000 ] - [ 0.0009441300000000, 0.0018967600000000, -0.0006566200000000 ] - [ 0.0008268800000000, 0.0016892500000000, -0.0007096100000000 ] - [ 0.0008461300000000, 0.0016826900000000, -0.0009295900000000 ] - [ 0.0008312900000000, 0.0004264100000000, 0.0002519300000000 ] - [ 0.0002577000000000, -0.0005548100000000, 0.0012614800000000 ] - [ 0.0007306300000000, 0.0006013700000000, 0.0001048800000000 ] - [ 0.0006509700000000, 0.0005931700000000, 0.0004524500000000 ] - [ -0.0011806100000000, -0.0215350200000000, -0.0532279200000000 ] - [ -0.0014544700000000, -0.0220063300000000, -0.0611684400000000 ] - [ -0.0013324000000000, -0.0217825100000000, -0.0608820400000000 ] - [ -0.0013405400000000, -0.0218380400000000, -0.0610661600000000 ] - [ 0.0069282000000000, 0.0075143400000000, 0.0085012200000000 ] - [ 0.0008289500000000, 0.0039282800000000, 0.0041781500000000 ] - [ 0.0033827600000000, 0.0015773400000000, 0.0050930200000000 ] - [ 0.0009545200000000, 0.0037303600000000, 0.0044808300000000 ] - [ -0.0078073800000000, 0.0059866500000000, 0.0086044500000000 ] - [ -0.0011656600000000, 0.0020841400000000, 0.0028589600000000 ] - [ -0.0029331200000000, 0.0001163900000000, 0.0038079900000000 ] - [ -0.0010429400000000, 0.0019457700000000, 0.0034096100000000 ]- atom: 77 displacement: [ -0.0000055737063633, 0.0000000000000000, -0.0099999984466897 ] forces: - [ 0.0024036500000000, 0.0061147400000000, -0.0020741200000000 ] - [ 0.0016450000000000, 0.0062544600000000, 0.0043254700000000 ] - [ 0.0018892600000000, 0.0094455900000000, 0.0026055000000000 ] - [ 0.0016258900000000, 0.0061592100000000, 0.0044085000000000 ] - [ -0.0023326100000000, -0.0026895100000000, -0.0034440700000000 ] - [ -0.0005124200000000, -0.0025125400000000, -0.0034856700000000 ] - [ -0.0015532500000000, -0.0018660400000000, -0.0045442600000000 ] - [ -0.0014413000000000, -0.0019487500000000, -0.0045738100000000 ] - [ 0.0016485100000000, -0.0065293600000000, 0.0083701000000000 ] - [ 0.0016563700000000, -0.0063744000000000, 0.0054236400000000 ] - [ 0.0017437300000000, -0.0062882400000000, 0.0055243800000000 ] - [ 0.0016655800000000, -0.0062913200000000, 0.0051872100000000 ] - [ -0.0001453200000000, 0.0010551900000000, -0.0048222600000000 ] - [ -0.0028083900000000, 0.0010121100000000, -0.0048508100000000 ] - [ -0.0003517200000000, 0.0026579500000000, -0.0058695100000000 ] - [ -0.0026339500000000, 0.0030510700000000, -0.0057542600000000 ] - [ -0.0112808400000000, -0.0172854700000000, -0.0268317400000000 ] - [ -0.0043259600000000, -0.0186100600000000, -0.0441881700000000 ] - [ -0.0095186200000000, -0.0176346700000000, -0.0263562700000000 ] - [ -0.0099224700000000, -0.0181955300000000, -0.0276711900000000 ] - [ 0.0058915100000000, -0.0177500100000000, -0.0440861100000000 ] - [ 0.0098373800000000, -0.0150576400000000, -0.0249414900000000 ] - [ 0.0096692800000000, -0.0156086400000000, -0.0257091700000000 ] - [ 0.0091972400000000, -0.0151417300000000, -0.0244228000000000 ] - [ 0.0187199700000000, -0.0264243200000000, 0.0670964300000000 ] - [ 0.0215404900000000, -0.0209336000000000, 0.0685936800000000 ] - [ 0.0194405100000000, -0.0265463100000000, 0.0672572400000000 ] - [ 0.0214716300000000, -0.0284111100000000, 0.0699539700000000 ] - [ -0.0234327300000000, -0.0179336300000000, 0.0692629000000000 ] - [ -0.0214632600000000, -0.0232113600000000, 0.0683426900000000 ] - [ -0.0235618000000000, -0.0253756000000000, 0.0706791500000000 ] - [ -0.0216081700000000, -0.0234923900000000, 0.0684529000000000 ] - [ -0.0095349600000000, 0.0177910800000000, -0.0244214000000000 ] - [ -0.0096635300000000, 0.0175226000000000, -0.0230960900000000 ] - [ -0.0097121400000000, 0.0180354400000000, -0.0245544100000000 ] - [ -0.0097935500000000, 0.0183675800000000, -0.0232792100000000 ] - [ 0.0093023900000000, 0.0148508700000000, -0.0210092300000000 ] - [ 0.0091727700000000, 0.0150821400000000, -0.0224277800000000 ] - [ 0.0095410200000000, 0.0156458200000000, -0.0216935400000000 ] - [ 0.0093153100000000, 0.0154663500000000, -0.0226021000000000 ] - [ -0.0172946900000000, 0.0228011700000000, 0.0733276300000000 ] - [ -0.0242801700000000, 0.0224215500000000, 0.0683367400000000 ] - [ -0.0219128200000000, 0.0219842700000000, 0.0690559600000000 ] - [ -0.0227486600000000, 0.0228404200000000, 0.0683139500000000 ] - [ 0.0214934300000000, 0.0259720600000000, 0.0668830300000000 ] - [ 0.0149235500000000, 0.0256736900000000, 0.0724661400000000 ] - [ 0.0205034500000000, 0.0260155400000000, 0.0670435200000000 ] - [ 0.0197265800000000, 0.0254540500000000, 0.0677417300000000 ] - [ 0.0118418700000000, -0.0049054000000000, -0.0048088100000000 ] - [ 0.0025659600000000, -0.0025020400000000, -0.0015885800000000 ] - [ 0.0026811400000000, -0.0017391600000000, -0.0012789800000000 ] - [ 0.0025919900000000, -0.0024192200000000, -0.0016809100000000 ] - [ 0.0044944500000000, 0.0343979900000000, -0.0611027800000000 ] - [ 0.0009698300000000, 0.0343701800000000, -0.0611405800000000 ] - [ 0.0032908500000000, 0.0354041600000000, -0.0611230300000000 ] - [ 0.0014563300000000, 0.0352855100000000, -0.0612177300000000 ] - [ 0.0022601600000000, 0.0042253100000000, -0.0037264700000000 ] - [ 0.0030205800000000, 0.0033213700000000, -0.0027054800000000 ] - [ 0.0026552400000000, 0.0030145100000000, -0.0027321300000000 ] - [ 0.0028996600000000, 0.0028471900000000, -0.0024879000000000 ] - [ 0.0000064500000000, -0.0352896200000000, -0.0613623300000000 ] - [ 0.0058262600000000, -0.0353166500000000, -0.0614191600000000 ] - [ 0.0019685100000000, -0.0347045900000000, -0.0611065600000000 ] - [ 0.0030038700000000, -0.0347871400000000, -0.0610715300000000 ] - [ -0.0008756900000000, -0.0009388300000000, -0.0108765800000000 ] - [ 0.0099923400000000, 0.0019526700000000, -0.0133272700000000 ] - [ -0.0008067000000000, -0.0006557200000000, -0.0113012300000000 ] - [ -0.0006316800000000, -0.0005898300000000, -0.0110236400000000 ] - [ -0.0097693800000000, 0.0001502700000000, -0.0131472700000000 ] - [ 0.0007051900000000, -0.0023718800000000, -0.0107751800000000 ] - [ 0.0003077600000000, -0.0020913900000000, -0.0108743400000000 ] - [ 0.0005925300000000, -0.0022405200000000, -0.0111298500000000 ] - [ 0.0041177300000000, 0.0157032600000000, 0.0284837500000000 ] - [ -0.0028179900000000, 0.0147261500000000, 0.0267452300000000 ] - [ -0.0003549900000000, 0.0139974900000000, 0.0281007900000000 ] - [ -0.0000570000000000, 0.0139795300000000, 0.0280727300000000 ] - [ -0.0057427700000000, 0.0010326400000000, 0.0876973000000000 ] - [ -0.0006553500000000, 0.0112651700000000, 0.0272388500000000 ] - [ -0.0009808200000000, 0.0112524800000000, 0.0271663800000000 ] - [ -0.0009226800000000, 0.0112334100000000, 0.0269201400000000 ] - [ -0.0020001300000000, -0.0018605200000000, 0.0013954700000000 ] - [ -0.0014973200000000, -0.0017280500000000, -0.0002148800000000 ] - [ 0.0016478800000000, 0.0042474400000000, -0.0006066900000000 ] - [ -0.0015909000000000, -0.0013982100000000, -0.0004996700000000 ] - [ 0.0012069800000000, -0.0021342100000000, 0.0004913400000000 ] - [ 0.0008861000000000, -0.0018545100000000, -0.0007443900000000 ] - [ -0.0026893000000000, 0.0049659400000000, -0.0010897100000000 ] - [ 0.0010087200000000, -0.0014106000000000, -0.0012025600000000 ] - [ 0.0006933300000000, -0.0006246400000000, 0.0000956100000000 ] - [ -0.0092766700000000, -0.0034396200000000, -0.0034897500000000 ] - [ 0.0006908000000000, -0.0005081700000000, 0.0000898500000000 ] - [ 0.0006229300000000, 0.0001519200000000, 0.0004468200000000 ] - [ -0.0010351200000000, 0.0202327500000000, -0.0629128900000000 ] - [ -0.0011747100000000, 0.0219764100000000, -0.0612460600000000 ] - [ -0.0013021700000000, 0.0223075200000000, -0.0614869700000000 ] - [ -0.0013224200000000, 0.0218562300000000, -0.0611169400000000 ] - [ 0.0012057300000000, -0.0044079000000000, 0.0035447200000000 ] - [ 0.0011155100000000, -0.0038952100000000, 0.0043383600000000 ] - [ 0.0013872100000000, -0.0034969000000000, 0.0038306200000000 ] - [ 0.0010377300000000, -0.0037905500000000, 0.0044215500000000 ] - [ -0.0012696300000000, -0.0023961600000000, 0.0026803700000000 ] - [ -0.0010634900000000, -0.0021400300000000, 0.0031615000000000 ] - [ -0.0014154900000000, -0.0017248900000000, 0.0025276600000000 ] - [ -0.0010741300000000, -0.0019701500000000, 0.0033250800000000 ] - [ -0.0004891600000000, 0.0002278300000000, -0.0121190600000000 ] - [ -0.0007525600000000, -0.0000625900000000, -0.0127235200000000 ] - [ -0.0005513800000000, 0.0003602500000000, -0.0120364100000000 ] - [ -0.0006752000000000, 0.0004174300000000, -0.0124239800000000 ] - [ 0.0004891800000000, 0.0014203500000000, -0.0126280000000000 ] - [ 0.0002662900000000, 0.0017566900000000, -0.0119382100000000 ] - [ 0.0004060000000000, 0.0019122200000000, -0.0122311700000000 ] - [ 0.0002926400000000, 0.0018827200000000, -0.0119000500000000 ] - [ -0.0005338700000000, -0.0136249400000000, 0.0272452400000000 ] - [ -0.0002210000000000, -0.0136603700000000, 0.0272818400000000 ] - [ -0.0003877600000000, -0.0135946000000000, 0.0271256700000000 ] - [ -0.0002007900000000, -0.0136835300000000, 0.0271326400000000 ] - [ -0.0008428100000000, -0.0113792400000000, 0.0261489700000000 ] - [ -0.0007962200000000, -0.0113234600000000, 0.0265359000000000 ] - [ -0.0009001400000000, -0.0114647200000000, 0.0263829800000000 ] - [ -0.0008451000000000, -0.0113679600000000, 0.0265755500000000 ] - [ -0.0014400000000000, 0.0005910900000000, -0.0021238300000000 ] - [ -0.0012198600000000, 0.0012094400000000, -0.0011125900000000 ] - [ -0.0013912000000000, 0.0015399900000000, -0.0009698600000000 ] - [ -0.0013598800000000, 0.0015086300000000, -0.0007721500000000 ] - [ 0.0007473800000000, 0.0005100400000000, -0.0029467900000000 ] - [ 0.0006440000000000, 0.0012347300000000, -0.0017260200000000 ] - [ 0.0007595300000000, 0.0014398300000000, -0.0016724200000000 ] - [ 0.0007406700000000, 0.0014489100000000, -0.0014541300000000 ] - [ 0.0003970900000000, 0.0010413300000000, -0.0006760300000000 ] - [ 0.0009611800000000, 0.0020201900000000, -0.0016942600000000 ] - [ 0.0004974900000000, 0.0008634800000000, -0.0005270600000000 ] - [ 0.0005724800000000, 0.0008717300000000, -0.0008797900000000 ] - [ -0.0015259600000000, -0.0218216600000000, -0.0685859500000000 ] - [ -0.0012432000000000, -0.0213432100000000, -0.0608055000000000 ] - [ -0.0013695800000000, -0.0215695700000000, -0.0610898400000000 ] - [ -0.0013579800000000, -0.0215136500000000, -0.0609072000000000 ] - [ -0.0044098000000000, 0.0002088200000000, 0.0010262900000000 ] - [ 0.0016215000000000, 0.0037441500000000, 0.0052937600000000 ] - [ -0.0009241700000000, 0.0060837900000000, 0.0043998200000000 ] - [ 0.0014886900000000, 0.0039430600000000, 0.0050035000000000 ] - [ 0.0052442100000000, -0.0019016900000000, -0.0012372700000000 ] - [ -0.0013154700000000, 0.0019496800000000, 0.0044666800000000 ] - [ 0.0004409300000000, 0.0039082000000000, 0.0035364700000000 ] - [ -0.0014324300000000, 0.0020887200000000, 0.0039275200000000 ]- atom: 81 displacement: [ 0.0099999993466229, 0.0000000000000000, -0.0000036149054082 ] forces: - [ 0.0080982200000000, 0.0097758300000000, 0.0060339200000000 ] - [ 0.0002386500000000, 0.0057883000000000, 0.0042533200000000 ] - [ 0.0043045800000000, 0.0054080500000000, 0.0055255300000000 ] - [ 0.0006157400000000, 0.0066437300000000, 0.0046967700000000 ] - [ -0.0018745600000000, -0.0038616300000000, -0.0045652400000000 ] - [ -0.0021983400000000, -0.0016896200000000, -0.0050848200000000 ] - [ -0.0009767200000000, -0.0002780500000000, -0.0032044300000000 ] - [ -0.0023502800000000, -0.0026093700000000, -0.0054168600000000 ] - [ 0.0040715600000000, -0.0051932700000000, 0.0038122100000000 ] - [ 0.0005224000000000, -0.0067985300000000, 0.0051565200000000 ] - [ 0.0033481500000000, -0.0068112000000000, 0.0041823500000000 ] - [ 0.0004403700000000, -0.0059192300000000, 0.0050415400000000 ] - [ -0.0011932200000000, 0.0008307900000000, -0.0081184700000000 ] - [ -0.0030772500000000, 0.0023567200000000, -0.0042049000000000 ] - [ -0.0016747200000000, 0.0033254000000000, -0.0053628300000000 ] - [ -0.0023635300000000, 0.0019253300000000, -0.0046523800000000 ] - [ -0.0104874100000000, -0.0184073900000000, -0.0266839100000000 ] - [ -0.0106230100000000, -0.0157163700000000, -0.0257594100000000 ] - [ -0.0163820100000000, -0.0146023600000000, -0.0265114400000000 ] - [ -0.0165537200000000, -0.0215655100000000, -0.0237653200000000 ] - [ 0.0127705500000000, -0.0137148300000000, -0.0265422400000000 ] - [ 0.0076844900000000, -0.0153021700000000, -0.0235618100000000 ] - [ 0.0300139600000000, -0.0447672600000000, -0.0187322200000000 ] - [ 0.0059634600000000, -0.0159790500000000, -0.0236574800000000 ] - [ 0.0109783300000000, -0.0288402100000000, 0.0675694900000000 ] - [ 0.0134503900000000, -0.0251804000000000, 0.0624268600000000 ] - [ 0.0190909500000000, -0.0255190300000000, 0.0674296400000000 ] - [ 0.0204285400000000, -0.0270022900000000, 0.0658038700000000 ] - [ 0.0039707400000000, -0.0063943300000000, 0.0391144600000000 ] - [ -0.0266884100000000, -0.0222139400000000, 0.0682879600000000 ] - [ -0.0202544900000000, -0.0215387700000000, 0.0693840900000000 ] - [ -0.0237870400000000, -0.0229255200000000, 0.0681160400000000 ] - [ -0.0107663800000000, 0.0181031700000000, -0.0236045100000000 ] - [ -0.0091456900000000, 0.0176159800000000, -0.0260432800000000 ] - [ -0.0102793000000000, 0.0178959200000000, -0.0251843200000000 ] - [ -0.0091738700000000, 0.0180780100000000, -0.0251382900000000 ] - [ 0.0116372000000000, 0.0166582500000000, -0.0213687900000000 ] - [ 0.0077532900000000, 0.0153368500000000, -0.0234311300000000 ] - [ 0.0104324200000000, 0.0153951200000000, -0.0230924400000000 ] - [ 0.0083770800000000, 0.0152783500000000, -0.0233376700000000 ] - [ -0.0188439900000000, 0.0235199300000000, 0.0691457000000000 ] - [ -0.0239337100000000, 0.0227693700000000, 0.0683622600000000 ] - [ -0.0197755000000000, 0.0213920600000000, 0.0680191800000000 ] - [ -0.0241309300000000, 0.0226941800000000, 0.0683941500000000 ] - [ 0.0198611800000000, 0.0258539200000000, 0.0669402000000000 ] - [ 0.0181659700000000, 0.0273585700000000, 0.0682843200000000 ] - [ 0.0194393800000000, 0.0264935100000000, 0.0661364700000000 ] - [ 0.0200755600000000, 0.0248637300000000, 0.0692861200000000 ] - [ 0.0016206100000000, 0.0016693700000000, 0.0001722500000000 ] - [ 0.0032416100000000, -0.0028852000000000, -0.0021805100000000 ] - [ 0.0013858000000000, -0.0066267800000000, -0.0043934000000000 ] - [ 0.0032297600000000, -0.0024597800000000, -0.0020676900000000 ] - [ 0.0146783600000000, 0.0393849600000000, -0.0700640300000000 ] - [ 0.0065469900000000, 0.0353650400000000, -0.0605640500000000 ] - [ 0.0024760900000000, 0.0352275600000000, -0.0608775000000000 ] - [ 0.0032906600000000, 0.0351172100000000, -0.0608074800000000 ] - [ 0.0020383500000000, 0.0034439200000000, -0.0030333200000000 ] - [ 0.0031464200000000, 0.0027875500000000, -0.0023986800000000 ] - [ 0.0022960200000000, 0.0028110800000000, -0.0015721900000000 ] - [ 0.0030578600000000, 0.0028269600000000, -0.0023276800000000 ] - [ 0.0015985800000000, -0.0354367600000000, -0.0608377300000000 ] - [ 0.0039490300000000, -0.0352261300000000, -0.0610099400000000 ] - [ 0.0018329500000000, -0.0351478600000000, -0.0606148500000000 ] - [ 0.0038062500000000, -0.0348956200000000, -0.0612125200000000 ] - [ -0.0004367100000000, -0.0002471300000000, -0.0113095900000000 ] - [ 0.0007488300000000, -0.0020506600000000, -0.0116803500000000 ] - [ 0.0000998700000000, -0.0014610300000000, -0.0105577000000000 ] - [ 0.0000425300000000, 0.0010112200000000, -0.0135076900000000 ] - [ -0.0024297700000000, -0.0026573800000000, -0.0109798100000000 ] - [ 0.0009656400000000, -0.0020424500000000, -0.0113890200000000 ] - [ 0.0016741600000000, -0.0056986400000000, -0.0050603800000000 ] - [ 0.0010774600000000, -0.0019246100000000, -0.0114664300000000 ] - [ -0.0007040000000000, 0.0136716700000000, 0.0277857900000000 ] - [ 0.0008590400000000, 0.0135956300000000, 0.0276708700000000 ] - [ 0.0109922100000000, 0.0078201100000000, 0.0311981900000000 ] - [ 0.0029478600000000, 0.0140400900000000, 0.0273776700000000 ] - [ -0.0021860900000000, 0.0086558300000000, 0.0273309100000000 ] - [ 0.0002927500000000, 0.0113434100000000, 0.0268256100000000 ] - [ 0.0016737100000000, 0.0203614700000000, 0.0236915300000000 ] - [ 0.0020863100000000, 0.0108750600000000, 0.0269238400000000 ] - [ -0.0720262200000000, 0.0106990800000000, 0.0292625200000000 ] - [ -0.0004154300000000, -0.0015645100000000, -0.0009215300000000 ] - [ -0.0022146600000000, -0.0017435500000000, -0.0000530300000000 ] - [ -0.0010729800000000, -0.0016421000000000, -0.0006462600000000 ] - [ 0.0100994500000000, -0.0002318900000000, 0.0009224400000000 ] - [ 0.0033050600000000, -0.0020449900000000, 0.0007274300000000 ] - [ 0.0007539400000000, -0.0020647800000000, -0.0007446300000000 ] - [ 0.0010129900000000, -0.0015938000000000, -0.0010660900000000 ] - [ 0.0010058200000000, 0.0006063900000000, 0.0008180700000000 ] - [ 0.0010329600000000, -0.0014545100000000, -0.0002565900000000 ] - [ 0.0009584800000000, -0.0019353800000000, -0.0009113300000000 ] - [ 0.0010799800000000, 0.0005289700000000, 0.0011947500000000 ] - [ 0.0001198600000000, 0.0167042200000000, -0.0540105200000000 ] - [ 0.0019518600000000, 0.0222444400000000, -0.0613878800000000 ] - [ -0.0028067100000000, 0.0219299300000000, -0.0608637000000000 ] - [ -0.0002431600000000, 0.0215589100000000, -0.0609824800000000 ] - [ -0.0014184200000000, -0.0054089800000000, 0.0046511000000000 ] - [ 0.0019912500000000, -0.0036815100000000, 0.0049033900000000 ] - [ 0.0004032100000000, -0.0043633600000000, 0.0038714500000000 ] - [ 0.0017193000000000, -0.0036652200000000, 0.0048535800000000 ] - [ -0.0011133300000000, -0.0015119000000000, 0.0047671900000000 ] - [ -0.0002464600000000, -0.0028000600000000, 0.0024989100000000 ] - [ -0.0013432000000000, -0.0020111700000000, 0.0038368900000000 ] - [ -0.0009787700000000, -0.0019804400000000, 0.0034143200000000 ] - [ 0.0004074000000000, 0.0009184200000000, -0.0133006200000000 ] - [ -0.0002638300000000, 0.0002089500000000, -0.0105389200000000 ] - [ -0.0003060400000000, 0.0001086100000000, -0.0119086300000000 ] - [ -0.0008475900000000, 0.0005419600000000, -0.0114803200000000 ] - [ 0.0003228600000000, 0.0036846600000000, -0.0177879100000000 ] - [ 0.0010894700000000, 0.0019205400000000, -0.0112777500000000 ] - [ -0.0001875600000000, 0.0016671600000000, -0.0119953200000000 ] - [ 0.0008483400000000, 0.0020450200000000, -0.0114014600000000 ] - [ -0.0007196300000000, -0.0137108700000000, 0.0270238400000000 ] - [ 0.0004005500000000, -0.0138811500000000, 0.0278097300000000 ] - [ -0.0003948300000000, -0.0136257200000000, 0.0274000000000000 ] - [ 0.0000736400000000, -0.0139274200000000, 0.0276568600000000 ] - [ -0.0026170400000000, -0.0112171300000000, 0.0267725600000000 ] - [ 0.0005618200000000, -0.0112687100000000, 0.0265486400000000 ] - [ -0.0019486000000000, -0.0113385200000000, 0.0267214900000000 ] - [ -0.0000601700000000, -0.0113177200000000, 0.0266890500000000 ] - [ -0.0020693700000000, 0.0011434500000000, -0.0009097300000000 ] - [ -0.0010758300000000, 0.0015070600000000, -0.0008576100000000 ] - [ -0.0020620400000000, 0.0012925800000000, -0.0004638200000000 ] - [ -0.0010284200000000, 0.0015263500000000, -0.0007891100000000 ] - [ 0.0008134700000000, 0.0010916300000000, -0.0016895300000000 ] - [ 0.0008956800000000, 0.0015460000000000, -0.0013391200000000 ] - [ 0.0005339500000000, 0.0016234800000000, -0.0015206000000000 ] - [ 0.0010711300000000, 0.0012877900000000, -0.0013177000000000 ] - [ 0.0006971300000000, 0.0011744300000000, -0.0006006700000000 ] - [ 0.0007292500000000, 0.0007300700000000, -0.0005154500000000 ] - [ 0.0006890600000000, 0.0005889800000000, -0.0000321100000000 ] - [ 0.0005840200000000, 0.0011722100000000, -0.0006499400000000 ] - [ -0.0028101300000000, -0.0260034900000000, -0.0642933400000000 ] - [ -0.0005372800000000, -0.0214530500000000, -0.0608293800000000 ] - [ -0.0028611400000000, -0.0216644700000000, -0.0613702100000000 ] - [ -0.0002096200000000, -0.0216277200000000, -0.0608272100000000 ] - [ 0.0002997300000000, 0.0037471100000000, 0.0051594500000000 ] - [ 0.0017853900000000, 0.0036748400000000, 0.0048466300000000 ] - [ -0.0041847700000000, 0.0058611100000000, 0.0050056400000000 ] - [ 0.0019726300000000, 0.0037346100000000, 0.0048060200000000 ] - [ -0.0010759800000000, 0.0016740600000000, 0.0034561300000000 ] - [ -0.0010542500000000, 0.0019841800000000, 0.0039034400000000 ] - [ 0.0006235700000000, 0.0041687400000000, 0.0019878600000000 ] - [ -0.0007380300000000, 0.0020593300000000, 0.0045882500000000 ]- atom: 81 displacement: [ -0.0099999993466229, 0.0000000000000000, 0.0000036149054082 ] forces: - [ -0.0047678100000000, 0.0027858900000000, 0.0038333100000000 ] - [ 0.0032118800000000, 0.0067121500000000, 0.0054590800000000 ] - [ -0.0008798000000000, 0.0070929100000000, 0.0041902300000000 ] - [ 0.0028330000000000, 0.0058655900000000, 0.0050181100000000 ] - [ -0.0011566500000000, -0.0003030500000000, -0.0052472900000000 ] - [ -0.0008481200000000, -0.0024912300000000, -0.0047261900000000 ] - [ -0.0020463700000000, -0.0039050200000000, -0.0066130400000000 ] - [ -0.0006946900000000, -0.0015655400000000, -0.0043917800000000 ] - [ -0.0006483200000000, -0.0073014500000000, 0.0059006100000000 ] - [ 0.0029296100000000, -0.0057087900000000, 0.0045592000000000 ] - [ 0.0000774700000000, -0.0056975200000000, 0.0055302200000000 ] - [ 0.0030105800000000, -0.0065838800000000, 0.0046747600000000 ] - [ -0.0018466100000000, 0.0033408500000000, -0.0017132500000000 ] - [ 0.0000386900000000, 0.0018181200000000, -0.0056144300000000 ] - [ -0.0013539900000000, 0.0008472700000000, -0.0044489100000000 ] - [ -0.0006804900000000, 0.0022544300000000, -0.0051633200000000 ] - [ -0.0087986200000000, -0.0171185300000000, -0.0242972800000000 ] - [ -0.0086724300000000, -0.0198204800000000, -0.0252200100000000 ] - [ -0.0029525000000000, -0.0209042900000000, -0.0244715800000000 ] - [ -0.0027387000000000, -0.0139087400000000, -0.0272345600000000 ] - [ 0.0058866600000000, -0.0166375600000000, -0.0205301600000000 ] - [ 0.0110016600000000, -0.0150441200000000, -0.0235452500000000 ] - [ -0.0117284000000000, 0.0143418500000000, -0.0282683100000000 ] - [ 0.0127249800000000, -0.0143585700000000, -0.0234483500000000 ] - [ 0.0290701200000000, -0.0235002700000000, 0.0663999700000000 ] - [ 0.0265814800000000, -0.0271837100000000, 0.0715908400000000 ] - [ 0.0209593000000000, -0.0268122400000000, 0.0665430700000000 ] - [ 0.0195899300000000, -0.0253348300000000, 0.0681734000000000 ] - [ -0.0490213600000000, -0.0395890500000000, 0.0974985400000000 ] - [ -0.0178932400000000, -0.0237990000000000, 0.0682898800000000 ] - [ -0.0243528700000000, -0.0244966500000000, 0.0671836000000000 ] - [ -0.0208048900000000, -0.0230803600000000, 0.0684649100000000 ] - [ -0.0085159800000000, 0.0174215900000000, -0.0273824500000000 ] - [ -0.0101646200000000, 0.0179048300000000, -0.0249444400000000 ] - [ -0.0090071000000000, 0.0176274600000000, -0.0258051300000000 ] - [ -0.0101313500000000, 0.0174420700000000, -0.0258510800000000 ] - [ 0.0070349800000000, 0.0136646700000000, -0.0257831600000000 ] - [ 0.0109307900000000, 0.0150079800000000, -0.0236749700000000 ] - [ 0.0082425000000000, 0.0149468000000000, -0.0240156000000000 ] - [ 0.0103060300000000, 0.0150660700000000, -0.0237706800000000 ] - [ -0.0257758900000000, 0.0224869300000000, 0.0674215500000000 ] - [ -0.0206557800000000, 0.0232402500000000, 0.0682140000000000 ] - [ -0.0248203900000000, 0.0246256500000000, 0.0685664200000000 ] - [ -0.0204618700000000, 0.0233165400000000, 0.0681800200000000 ] - [ 0.0201774200000000, 0.0264856200000000, 0.0670261000000000 ] - [ 0.0218750600000000, 0.0249724200000000, 0.0656738900000000 ] - [ 0.0206027500000000, 0.0258461600000000, 0.0678225700000000 ] - [ 0.0199484000000000, 0.0274905400000000, 0.0646641500000000 ] - [ 0.0037344300000000, -0.0072560400000000, -0.0043371900000000 ] - [ 0.0021285000000000, -0.0026526000000000, -0.0019448200000000 ] - [ 0.0039741800000000, 0.0011190100000000, 0.0002932300000000 ] - [ 0.0021405200000000, -0.0030861800000000, -0.0020643900000000 ] - [ -0.0095265800000000, 0.0308813500000000, -0.0518447900000000 ] - [ -0.0014962500000000, 0.0348582900000000, -0.0612190800000000 ] - [ 0.0025768500000000, 0.0349942900000000, -0.0609002100000000 ] - [ 0.0017810100000000, 0.0351049900000000, -0.0609720500000000 ] - [ 0.0033318000000000, 0.0020871500000000, -0.0010729300000000 ] - [ 0.0022231500000000, 0.0027530200000000, -0.0017267800000000 ] - [ 0.0030731200000000, 0.0027331300000000, -0.0025616900000000 ] - [ 0.0023120900000000, 0.0027116300000000, -0.0017964700000000 ] - [ 0.0034688700000000, -0.0347836600000000, -0.0609406800000000 ] - [ 0.0011149500000000, -0.0349955700000000, -0.0607678100000000 ] - [ 0.0032244900000000, -0.0350763000000000, -0.0611618000000000 ] - [ 0.0012598200000000, -0.0353289800000000, -0.0605632800000000 ] - [ -0.0008828900000000, -0.0006993900000000, -0.0119454100000000 ] - [ -0.0020734200000000, 0.0011125000000000, -0.0115733200000000 ] - [ -0.0014164700000000, 0.0005019900000000, -0.0126881800000000 ] - [ -0.0013609200000000, -0.0019713000000000, -0.0097344900000000 ] - [ 0.0032454200000000, -0.0013479100000000, -0.0119546800000000 ] - [ -0.0001663200000000, -0.0019802200000000, -0.0115427300000000 ] - [ -0.0008319100000000, 0.0017140100000000, -0.0179356600000000 ] - [ -0.0002774600000000, -0.0021024200000000, -0.0114617800000000 ] - [ 0.0001967700000000, 0.0139276500000000, 0.0274985800000000 ] - [ -0.0013639200000000, 0.0140031800000000, 0.0276152800000000 ] - [ -0.0113012800000000, 0.0196549600000000, 0.0241782600000000 ] - [ -0.0034696200000000, 0.0135518600000000, 0.0279137600000000 ] - [ 0.0003600200000000, 0.0139078100000000, 0.0261941500000000 ] - [ -0.0021376700000000, 0.0112018300000000, 0.0267049000000000 ] - [ -0.0035050200000000, 0.0021175500000000, 0.0298539500000000 ] - [ -0.0039181300000000, 0.0116634200000000, 0.0266105200000000 ] - [ 0.0700283000000000, -0.0136745000000000, -0.0306018300000000 ] - [ -0.0024584300000000, -0.0014939500000000, -0.0002046000000000 ] - [ -0.0006501500000000, -0.0013111600000000, -0.0010793100000000 ] - [ -0.0017982400000000, -0.0014166100000000, -0.0004828800000000 ] - [ -0.0087271800000000, -0.0029278000000000, -0.0033338300000000 ] - [ -0.0017220200000000, -0.0010881300000000, -0.0031096100000000 ] - [ 0.0008333100000000, -0.0010681100000000, -0.0016418000000000 ] - [ 0.0005695900000000, -0.0015427100000000, -0.0013208100000000 ] - [ 0.0002184300000000, -0.0020746900000000, -0.0012437600000000 ] - [ 0.0001970700000000, -0.0000126600000000, -0.0001684900000000 ] - [ 0.0002674400000000, 0.0004559500000000, 0.0004769700000000 ] - [ 0.0001491800000000, -0.0020085000000000, -0.0016273300000000 ] - [ -0.0028085000000000, 0.0266652500000000, -0.0679985400000000 ] - [ -0.0046656000000000, 0.0210935900000000, -0.0605809900000000 ] - [ 0.0001136500000000, 0.0214091800000000, -0.0611052900000000 ] - [ -0.0024728300000000, 0.0217758500000000, -0.0609861500000000 ] - [ 0.0038637300000000, -0.0022210300000000, 0.0048642300000000 ] - [ 0.0004496800000000, -0.0039710400000000, 0.0045754500000000 ] - [ 0.0020420900000000, -0.0032866200000000, 0.0056125300000000 ] - [ 0.0007227400000000, -0.0039862300000000, 0.0046261000000000 ] - [ -0.0013607400000000, -0.0025001500000000, 0.0025638200000000 ] - [ -0.0022371400000000, -0.0012109900000000, 0.0048384700000000 ] - [ -0.0011315800000000, -0.0019997800000000, 0.0034990900000000 ] - [ -0.0015059100000000, -0.0020282700000000, 0.0039253600000000 ] - [ -0.0017316300000000, 0.0000338200000000, -0.0099573600000000 ] - [ -0.0010531800000000, 0.0007432400000000, -0.0127233400000000 ] - [ -0.0010160900000000, 0.0008408100000000, -0.0113442000000000 ] - [ -0.0004666800000000, 0.0004062100000000, -0.0117758200000000 ] - [ 0.0004995700000000, 0.0003154500000000, -0.0050543900000000 ] - [ -0.0002902000000000, 0.0021049200000000, -0.0116563000000000 ] - [ 0.0009905800000000, 0.0023607500000000, -0.0109315000000000 ] - [ -0.0000486100000000, 0.0019786400000000, -0.0115304900000000 ] - [ 0.0002063500000000, -0.0138873300000000, 0.0282674600000000 ] - [ -0.0009012700000000, -0.0137163100000000, 0.0274754700000000 ] - [ -0.0001114900000000, -0.0139753200000000, 0.0278892900000000 ] - [ -0.0005743700000000, -0.0136699200000000, 0.0276298000000000 ] - [ 0.0007962700000000, -0.0113242200000000, 0.0267611900000000 ] - [ -0.0024070000000000, -0.0112758700000000, 0.0269821600000000 ] - [ 0.0001195800000000, -0.0112035600000000, 0.0268101600000000 ] - [ -0.0017841000000000, -0.0112270400000000, 0.0268420200000000 ] - [ -0.0007976200000000, 0.0019173300000000, -0.0002118300000000 ] - [ -0.0017957600000000, 0.0015528300000000, -0.0002694000000000 ] - [ -0.0008038400000000, 0.0017713300000000, -0.0006618500000000 ] - [ -0.0018429600000000, 0.0015326900000000, -0.0003383000000000 ] - [ 0.0007736600000000, 0.0020489300000000, -0.0006872800000000 ] - [ 0.0006876400000000, 0.0015923200000000, -0.0010439700000000 ] - [ 0.0010548400000000, 0.0015140900000000, -0.0008581200000000 ] - [ 0.0005120500000000, 0.0018506400000000, -0.0010645800000000 ] - [ 0.0005305100000000, 0.0002952800000000, 0.0001788700000000 ] - [ 0.0005001600000000, 0.0007392900000000, 0.0000974900000000 ] - [ 0.0005377800000000, 0.0008789000000000, -0.0003896400000000 ] - [ 0.0006462400000000, 0.0002939200000000, 0.0002313300000000 ] - [ 0.0001132200000000, -0.0172935800000000, -0.0576422900000000 ] - [ -0.0021757400000000, -0.0218842100000000, -0.0611380100000000 ] - [ 0.0001678200000000, -0.0216761700000000, -0.0605979500000000 ] - [ -0.0025034100000000, -0.0217105600000000, -0.0611389200000000 ] - [ 0.0021476900000000, 0.0039055000000000, 0.0043148700000000 ] - [ 0.0006560600000000, 0.0039755200000000, 0.0046346200000000 ] - [ 0.0066332200000000, 0.0017879100000000, 0.0044234900000000 ] - [ 0.0004683700000000, 0.0039162800000000, 0.0046768400000000 ] - [ -0.0014018500000000, 0.0023385400000000, 0.0038815000000000 ] - [ -0.0014278300000000, 0.0020236200000000, 0.0034345800000000 ] - [ -0.0031164900000000, -0.0001796200000000, 0.0053622900000000 ] - [ -0.0017409500000000, 0.0019492000000000, 0.0027556600000000 ]- atom: 81 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005920500000000, 0.0131704400000000, 0.0047044200000000 ] - [ 0.0018350200000000, 0.0071927200000000, 0.0044799800000000 ] - [ -0.0015188400000000, -0.0009653900000000, 0.0060485000000000 ] - [ 0.0022904200000000, 0.0050292000000000, 0.0048899200000000 ] - [ -0.0047282400000000, -0.0079887200000000, -0.0033871000000000 ] - [ -0.0010749900000000, -0.0032670400000000, -0.0047101800000000 ] - [ 0.0021599000000000, 0.0047238600000000, -0.0083245600000000 ] - [ -0.0016595200000000, -0.0006538900000000, -0.0052870800000000 ] - [ 0.0034083600000000, -0.0113102400000000, 0.0075935400000000 ] - [ 0.0014109400000000, -0.0075037700000000, 0.0052732300000000 ] - [ 0.0009548900000000, -0.0035462600000000, 0.0031085800000000 ] - [ 0.0017110600000000, -0.0052077900000000, 0.0048375000000000 ] - [ -0.0028149100000000, 0.0078394600000000, -0.0042158000000000 ] - [ -0.0011865300000000, 0.0034351600000000, -0.0046288600000000 ] - [ 0.0018476300000000, -0.0041820100000000, -0.0037173400000000 ] - [ -0.0019543400000000, 0.0007315500000000, -0.0047825400000000 ] - [ -0.0119257800000000, -0.0195023200000000, -0.0266774700000000 ] - [ -0.0062225400000000, -0.0213756800000000, -0.0259895700000000 ] - [ 0.0012393500000000, -0.0172047000000000, -0.0277769400000000 ] - [ -0.0235006800000000, -0.0105598500000000, -0.0257232600000000 ] - [ 0.0105753800000000, -0.0266908200000000, -0.0321916800000000 ] - [ 0.0097396100000000, -0.0158516700000000, -0.0239298300000000 ] - [ -0.0070980200000000, 0.0483249600000000, -0.0256833300000000 ] - [ 0.0090189900000000, -0.0144425100000000, -0.0241315900000000 ] - [ 0.0086932300000000, -0.0268989400000000, 0.0647591200000000 ] - [ 0.0291978900000000, -0.0216962000000000, 0.0652868700000000 ] - [ 0.0233554300000000, -0.0269061100000000, 0.0663906600000000 ] - [ 0.0176761300000000, -0.0290633900000000, 0.0660704700000000 ] - [ -0.0172522100000000, 0.0099151500000000, 0.0405151300000000 ] - [ -0.0218617200000000, -0.0225629700000000, 0.0675844200000000 ] - [ -0.0246501000000000, -0.0419112600000000, 0.0613314800000000 ] - [ -0.0222215600000000, -0.0237111400000000, 0.0681516200000000 ] - [ -0.0109572900000000, 0.0194559500000000, -0.0228734600000000 ] - [ -0.0082450600000000, 0.0197676400000000, -0.0240733500000000 ] - [ -0.0092118300000000, 0.0165913500000000, -0.0253938200000000 ] - [ -0.0100446900000000, 0.0163720700000000, -0.0254324900000000 ] - [ 0.0099907900000000, 0.0224760600000000, -0.0163467000000000 ] - [ 0.0094006000000000, 0.0157694400000000, -0.0228509700000000 ] - [ 0.0087378200000000, 0.0115619200000000, -0.0228118300000000 ] - [ 0.0094206500000000, 0.0146561800000000, -0.0234258600000000 ] - [ -0.0232480700000000, 0.0195981900000000, 0.0658267100000000 ] - [ -0.0219153300000000, 0.0227631300000000, 0.0682559100000000 ] - [ -0.0229034500000000, 0.0272622800000000, 0.0789975900000000 ] - [ -0.0222770500000000, 0.0231839000000000, 0.0690036000000000 ] - [ 0.0191995300000000, 0.0257723800000000, 0.0668899400000000 ] - [ 0.0217383200000000, 0.0247033400000000, 0.0666037900000000 ] - [ 0.0225208400000000, 0.0262214900000000, 0.0692421000000000 ] - [ 0.0180259100000000, 0.0278087200000000, 0.0691185000000000 ] - [ 0.0077528400000000, 0.0165896200000000, 0.0001289800000000 ] - [ 0.0026241000000000, -0.0021997900000000, -0.0017297900000000 ] - [ -0.0027070000000000, 0.0186385500000000, 0.0189456400000000 ] - [ 0.0025841900000000, -0.0027593000000000, -0.0015905400000000 ] - [ 0.0202583500000000, 0.0285373700000000, -0.0626936900000000 ] - [ -0.0003343600000000, 0.0340109400000000, -0.0608460800000000 ] - [ -0.0017552200000000, 0.0384728700000000, -0.0598295600000000 ] - [ 0.0033196000000000, 0.0358178100000000, -0.0606106100000000 ] - [ 0.0034293900000000, 0.0028866600000000, -0.0043004600000000 ] - [ 0.0027423200000000, 0.0027384400000000, -0.0023372000000000 ] - [ 0.0023522400000000, 0.0048700100000000, -0.0057868700000000 ] - [ 0.0026677100000000, 0.0031237300000000, -0.0023379900000000 ] - [ 0.0038431800000000, -0.0337578900000000, -0.0609630200000000 ] - [ 0.0017647600000000, -0.0346658200000000, -0.0609777300000000 ] - [ 0.0002451800000000, -0.0359469700000000, -0.0620833500000000 ] - [ 0.0033669300000000, -0.0355521400000000, -0.0610833900000000 ] - [ -0.0005306900000000, -0.0007927900000000, -0.0112324300000000 ] - [ -0.0019395000000000, 0.0002659000000000, -0.0114235600000000 ] - [ -0.0020690300000000, 0.0001772500000000, -0.0124742900000000 ] - [ 0.0013683800000000, 0.0001527000000000, -0.0135744900000000 ] - [ 0.0021021400000000, 0.0008926200000000, -0.0072716600000000 ] - [ 0.0003789400000000, -0.0021924000000000, -0.0113604600000000 ] - [ 0.0004314800000000, 0.0167187500000000, -0.0397279500000000 ] - [ 0.0003296300000000, -0.0018584200000000, -0.0116502200000000 ] - [ 0.0023714300000000, 0.0158469100000000, 0.0287581100000000 ] - [ -0.0012088300000000, 0.0145277400000000, 0.0279102000000000 ] - [ -0.0193141700000000, 0.0128232500000000, 0.0237992900000000 ] - [ 0.0025670800000000, 0.0125049500000000, 0.0272573000000000 ] - [ -0.0040930100000000, 0.0139371300000000, 0.0270956000000000 ] - [ -0.0004748800000000, 0.0113412700000000, 0.0269634600000000 ] - [ 0.0208387700000000, 0.0231024700000000, 0.0210173900000000 ] - [ -0.0032751000000000, 0.0114423200000000, 0.0266302200000000 ] - [ 0.0097255000000000, -0.1651818200000000, 0.0863772900000000 ] - [ -0.0014708600000000, -0.0026876200000000, 0.0005227500000000 ] - [ -0.0016570000000000, 0.0057475100000000, -0.0031944800000000 ] - [ -0.0015482400000000, -0.0008986000000000, -0.0008404900000000 ] - [ -0.0003967600000000, -0.0060598400000000, 0.0001937600000000 ] - [ 0.0010523200000000, -0.0054357300000000, 0.0030616100000000 ] - [ 0.0011687100000000, 0.0005605500000000, -0.0015486200000000 ] - [ 0.0007407100000000, -0.0002403600000000, -0.0020708700000000 ] - [ 0.0014644800000000, 0.0005568300000000, 0.0009266500000000 ] - [ -0.0003871700000000, -0.0000806400000000, 0.0000409800000000 ] - [ -0.0001220100000000, -0.0003723100000000, 0.0008235900000000 ] - [ 0.0018999600000000, -0.0000528100000000, 0.0015365500000000 ] - [ -0.0143776900000000, 0.0259320800000000, -0.0700667900000000 ] - [ 0.0007932800000000, 0.0220848300000000, -0.0611210800000000 ] - [ 0.0017431400000000, 0.0230177500000000, -0.0597075000000000 ] - [ -0.0023418800000000, 0.0215745500000000, -0.0606281300000000 ] - [ -0.0000079300000000, -0.0111001400000000, 0.0010690000000000 ] - [ 0.0011084900000000, -0.0043380400000000, 0.0044264500000000 ] - [ 0.0016669300000000, 0.0017617000000000, 0.0071508500000000 ] - [ 0.0013094700000000, -0.0032596400000000, 0.0049632700000000 ] - [ -0.0015746500000000, -0.0033330700000000, 0.0031611000000000 ] - [ -0.0004112500000000, -0.0037501700000000, 0.0024150800000000 ] - [ -0.0015595000000000, -0.0005685500000000, 0.0042237000000000 ] - [ -0.0013765600000000, -0.0005452100000000, 0.0044661000000000 ] - [ 0.0004278800000000, 0.0003554700000000, -0.0131553000000000 ] - [ -0.0019061500000000, 0.0002040800000000, -0.0125752200000000 ] - [ -0.0008713700000000, 0.0005582300000000, -0.0112723500000000 ] - [ -0.0004243300000000, 0.0005133600000000, -0.0112643200000000 ] - [ 0.0008292000000000, 0.0070348300000000, -0.0281738500000000 ] - [ 0.0004479200000000, 0.0020171500000000, -0.0117807600000000 ] - [ 0.0003624000000000, 0.0029427700000000, -0.0092649200000000 ] - [ 0.0003214200000000, 0.0018996400000000, -0.0113836700000000 ] - [ 0.0008568500000000, -0.0150849700000000, 0.0270125400000000 ] - [ -0.0008438600000000, -0.0142364700000000, 0.0274999200000000 ] - [ -0.0007826600000000, -0.0125899700000000, 0.0271750900000000 ] - [ -0.0001945500000000, -0.0134846500000000, 0.0275891900000000 ] - [ -0.0021612900000000, -0.0122879100000000, 0.0258266600000000 ] - [ -0.0004091200000000, -0.0114471200000000, 0.0264466300000000 ] - [ -0.0001261900000000, -0.0109212800000000, 0.0267758400000000 ] - [ -0.0011692600000000, -0.0112247700000000, 0.0267441100000000 ] - [ -0.0010506500000000, 0.0044247600000000, 0.0003073500000000 ] - [ -0.0014131100000000, 0.0019101500000000, -0.0004122000000000 ] - [ -0.0011993800000000, -0.0024767700000000, -0.0041990700000000 ] - [ -0.0014328900000000, 0.0009205200000000, -0.0011320500000000 ] - [ 0.0003853700000000, 0.0025216000000000, -0.0011151900000000 ] - [ 0.0008143900000000, 0.0022634900000000, -0.0008250400000000 ] - [ 0.0008596100000000, 0.0002077600000000, -0.0022850600000000 ] - [ 0.0005737600000000, 0.0001165400000000, -0.0028148100000000 ] - [ 0.0005549900000000, 0.0007791900000000, -0.0008716300000000 ] - [ 0.0002662800000000, 0.0007596300000000, -0.0004995400000000 ] - [ 0.0002969500000000, 0.0012878200000000, -0.0009733100000000 ] - [ 0.0008321800000000, 0.0011475100000000, -0.0007014000000000 ] - [ -0.0016138100000000, -0.0193527100000000, -0.0594856200000000 ] - [ -0.0012582400000000, -0.0216770300000000, -0.0610394200000000 ] - [ 0.0006449300000000, -0.0223943400000000, -0.0628818300000000 ] - [ -0.0022445400000000, -0.0215397700000000, -0.0612271500000000 ] - [ 0.0006112300000000, 0.0077080000000000, 0.0064744700000000 ] - [ 0.0010251300000000, 0.0043443600000000, 0.0047550200000000 ] - [ 0.0021676800000000, -0.0003382500000000, -0.0049316600000000 ] - [ 0.0012850400000000, 0.0034448500000000, 0.0046563800000000 ] - [ -0.0006746300000000, 0.0039092200000000, 0.0037727000000000 ] - [ -0.0012323900000000, 0.0029743500000000, 0.0039165900000000 ] - [ -0.0017311500000000, -0.0006761500000000, 0.0028354200000000 ] - [ -0.0021699400000000, 0.0011380700000000, 0.0030778500000000 ]- atom: 81 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0027026300000000, -0.0005770900000000, 0.0052523200000000 ] - [ 0.0016150800000000, 0.0053135800000000, 0.0052435100000000 ] - [ 0.0050149500000000, 0.0135215700000000, 0.0036575200000000 ] - [ 0.0011512900000000, 0.0074874100000000, 0.0048263200000000 ] - [ 0.0016825900000000, 0.0038718500000000, -0.0064106800000000 ] - [ -0.0019764900000000, -0.0008940500000000, -0.0050972700000000 ] - [ -0.0052326200000000, -0.0089957600000000, -0.0014528600000000 ] - [ -0.0013917400000000, -0.0035333300000000, -0.0045181700000000 ] - [ 0.0000304300000000, -0.0011585600000000, 0.0021217300000000 ] - [ 0.0020388100000000, -0.0049891500000000, 0.0044397100000000 ] - [ 0.0024931800000000, -0.0090137900000000, 0.0066089200000000 ] - [ 0.0017365700000000, -0.0073143400000000, 0.0048826000000000 ] - [ -0.0001809700000000, -0.0036903600000000, -0.0055508200000000 ] - [ -0.0018696200000000, 0.0007310000000000, -0.0051769400000000 ] - [ -0.0049407900000000, 0.0084128000000000, -0.0061127000000000 ] - [ -0.0010904800000000, 0.0034503300000000, -0.0050271100000000 ] - [ -0.0073683100000000, -0.0159886900000000, -0.0242980100000000 ] - [ -0.0130727300000000, -0.0141156200000000, -0.0249961100000000 ] - [ -0.0206055300000000, -0.0183379100000000, -0.0231868000000000 ] - [ 0.0042989600000000, -0.0250728300000000, -0.0252350200000000 ] - [ 0.0081072000000000, -0.0035662800000000, -0.0149367800000000 ] - [ 0.0089372100000000, -0.0144837400000000, -0.0231658000000000 ] - [ 0.0275353500000000, -0.0836291300000000, -0.0195105900000000 ] - [ 0.0096589300000000, -0.0159123200000000, -0.0229623900000000 ] - [ 0.0314721100000000, -0.0254146900000000, 0.0692168900000000 ] - [ 0.0107803000000000, -0.0306233600000000, 0.0686458200000000 ] - [ 0.0166312300000000, -0.0254407200000000, 0.0675797400000000 ] - [ 0.0223904200000000, -0.0232588200000000, 0.0679058300000000 ] - [ -0.0267744600000000, -0.0553162300000000, 0.0940639200000000 ] - [ -0.0227395100000000, -0.0234456900000000, 0.0689906000000000 ] - [ -0.0199233600000000, -0.0038852700000000, 0.0753276800000000 ] - [ -0.0223838500000000, -0.0222945800000000, 0.0684190600000000 ] - [ -0.0083242000000000, 0.0160484300000000, -0.0281384700000000 ] - [ -0.0110632800000000, 0.0157444900000000, -0.0269249800000000 ] - [ -0.0100919700000000, 0.0189370800000000, -0.0255841700000000 ] - [ -0.0092454100000000, 0.0191565600000000, -0.0255497200000000 ] - [ 0.0086809500000000, 0.0078282800000000, -0.0308238900000000 ] - [ 0.0092790500000000, 0.0145699500000000, -0.0242542900000000 ] - [ 0.0099480600000000, 0.0188037400000000, -0.0242727400000000 ] - [ 0.0092558900000000, 0.0156920200000000, -0.0236718500000000 ] - [ -0.0213429600000000, 0.0264603900000000, 0.0707533200000000 ] - [ -0.0226890100000000, 0.0232508200000000, 0.0683148900000000 ] - [ -0.0216803600000000, 0.0186312800000000, 0.0574775500000000 ] - [ -0.0223254600000000, 0.0228215400000000, 0.0675634500000000 ] - [ 0.0208406100000000, 0.0265763000000000, 0.0670774800000000 ] - [ 0.0182813800000000, 0.0276537900000000, 0.0673665100000000 ] - [ 0.0174975500000000, 0.0261084300000000, 0.0647097400000000 ] - [ 0.0220243400000000, 0.0245109800000000, 0.0648363800000000 ] - [ -0.0023215100000000, -0.0220337600000000, -0.0043724300000000 ] - [ 0.0027512200000000, -0.0033446100000000, -0.0024108800000000 ] - [ 0.0082019100000000, -0.0245432700000000, -0.0234457300000000 ] - [ 0.0027933300000000, -0.0027731100000000, -0.0025461300000000 ] - [ -0.0153452100000000, 0.0416210100000000, -0.0589691100000000 ] - [ 0.0054215400000000, 0.0362094900000000, -0.0609285400000000 ] - [ 0.0068855800000000, 0.0317212500000000, -0.0619607300000000 ] - [ 0.0017359800000000, 0.0343929800000000, -0.0611721900000000 ] - [ 0.0019417100000000, 0.0026352800000000, 0.0001900800000000 ] - [ 0.0026332200000000, 0.0027977500000000, -0.0017957700000000 ] - [ 0.0030242400000000, 0.0006786300000000, 0.0016738700000000 ] - [ 0.0027081400000000, 0.0024129800000000, -0.0017972000000000 ] - [ 0.0012136100000000, -0.0364739600000000, -0.0608126800000000 ] - [ 0.0033067900000000, -0.0355540200000000, -0.0608011600000000 ] - [ 0.0048343500000000, -0.0342517800000000, -0.0596886900000000 ] - [ 0.0016938400000000, -0.0346588100000000, -0.0606950100000000 ] - [ -0.0007902700000000, -0.0001629500000000, -0.0120202400000000 ] - [ 0.0006330400000000, -0.0012308000000000, -0.0118254500000000 ] - [ 0.0007625200000000, -0.0011246200000000, -0.0107726400000000 ] - [ -0.0027065400000000, -0.0011028800000000, -0.0096638700000000 ] - [ -0.0013023800000000, -0.0049489100000000, -0.0156464600000000 ] - [ 0.0004224300000000, -0.0018343700000000, -0.0115710000000000 ] - [ 0.0003591900000000, -0.0211283300000000, 0.0172465900000000 ] - [ 0.0004724300000000, -0.0021675800000000, -0.0112802700000000 ] - [ -0.0028749000000000, 0.0117351700000000, 0.0265261700000000 ] - [ 0.0007057900000000, 0.0130677900000000, 0.0273774000000000 ] - [ 0.0189676000000000, 0.0148946800000000, 0.0315189000000000 ] - [ -0.0030859400000000, 0.0151097800000000, 0.0280309300000000 ] - [ 0.0022562000000000, 0.0085895700000000, 0.0264374600000000 ] - [ -0.0013620600000000, 0.0111980000000000, 0.0265665900000000 ] - [ -0.0230126400000000, -0.0007036800000000, 0.0326033600000000 ] - [ 0.0014508700000000, 0.0111016800000000, 0.0269008500000000 ] - [ -0.0147333000000000, 0.1669920800000000, -0.0880092200000000 ] - [ -0.0014005200000000, -0.0003609200000000, -0.0016590100000000 ] - [ -0.0012220400000000, -0.0088602900000000, 0.0020931500000000 ] - [ -0.0013218700000000, -0.0021655900000000, -0.0002829700000000 ] - [ 0.0020677500000000, 0.0029646800000000, -0.0025794300000000 ] - [ 0.0005185300000000, 0.0023369200000000, -0.0054935400000000 ] - [ 0.0004100000000000, -0.0037106000000000, -0.0008347100000000 ] - [ 0.0008487600000000, -0.0029079400000000, -0.0003009000000000 ] - [ -0.0002422100000000, -0.0020511300000000, -0.0013674500000000 ] - [ 0.0016176100000000, -0.0014003900000000, -0.0004729700000000 ] - [ 0.0013568500000000, -0.0010895100000000, -0.0012483500000000 ] - [ -0.0006814400000000, -0.0014144900000000, -0.0019720000000000 ] - [ 0.0116329600000000, 0.0173664500000000, -0.0519330500000000 ] - [ -0.0035232800000000, 0.0212468600000000, -0.0608404100000000 ] - [ -0.0044955000000000, 0.0203204100000000, -0.0622770900000000 ] - [ -0.0003474200000000, 0.0217719300000000, -0.0613457000000000 ] - [ 0.0024332700000000, 0.0034655200000000, 0.0085326000000000 ] - [ 0.0013373300000000, -0.0033097200000000, 0.0050576800000000 ] - [ 0.0007734200000000, -0.0094680000000000, 0.0022900900000000 ] - [ 0.0011350700000000, -0.0043980400000000, 0.0045154300000000 ] - [ -0.0008995100000000, -0.0006734400000000, 0.0041835500000000 ] - [ -0.0020774600000000, -0.0002431900000000, 0.0049342000000000 ] - [ -0.0009215600000000, -0.0034520800000000, 0.0031065000000000 ] - [ -0.0010960000000000, -0.0034777300000000, 0.0028590300000000 ] - [ -0.0017579500000000, 0.0005864500000000, -0.0100738100000000 ] - [ 0.0005911500000000, 0.0007451700000000, -0.0106698900000000 ] - [ -0.0004436400000000, 0.0003945100000000, -0.0119847300000000 ] - [ -0.0008969200000000, 0.0004406000000000, -0.0119912600000000 ] - [ -0.0000434100000000, -0.0029917900000000, 0.0053460100000000 ] - [ 0.0003524000000000, 0.0020087700000000, -0.0111465400000000 ] - [ 0.0004383700000000, 0.0010771700000000, -0.0137021000000000 ] - [ 0.0004811100000000, 0.0021294300000000, -0.0115479800000000 ] - [ -0.0013713000000000, -0.0125050200000000, 0.0282815900000000 ] - [ 0.0003451100000000, -0.0133605300000000, 0.0277896500000000 ] - [ 0.0002837400000000, -0.0150142600000000, 0.0281115400000000 ] - [ -0.0003097800000000, -0.0141169900000000, 0.0276986000000000 ] - [ 0.0003373700000000, -0.0102513500000000, 0.0277093000000000 ] - [ -0.0014344400000000, -0.0110928900000000, 0.0270873600000000 ] - [ -0.0017200300000000, -0.0116199600000000, 0.0267540700000000 ] - [ -0.0006621600000000, -0.0113160700000000, 0.0267866600000000 ] - [ -0.0018242900000000, -0.0013905700000000, -0.0014445400000000 ] - [ -0.0014581400000000, 0.0011459600000000, -0.0007153900000000 ] - [ -0.0016749200000000, 0.0055725200000000, 0.0031069100000000 ] - [ -0.0014382600000000, 0.0021444800000000, 0.0000100400000000 ] - [ 0.0012027700000000, 0.0006065600000000, -0.0012706900000000 ] - [ 0.0007720500000000, 0.0008647600000000, -0.0015623900000000 ] - [ 0.0007263300000000, 0.0029390000000000, -0.0000885400000000 ] - [ 0.0010134500000000, 0.0030331400000000, 0.0004456300000000 ] - [ 0.0006723800000000, 0.0006873300000000, 0.0004521400000000 ] - [ 0.0009645400000000, 0.0007086300000000, 0.0000779500000000 ] - [ 0.0009346800000000, 0.0001846900000000, 0.0005515700000000 ] - [ 0.0003945300000000, 0.0003232100000000, 0.0002783000000000 ] - [ -0.0010918600000000, -0.0240215500000000, -0.0625085400000000 ] - [ -0.0014471900000000, -0.0216670900000000, -0.0609307400000000 ] - [ -0.0033662500000000, -0.0209291200000000, -0.0590677200000000 ] - [ -0.0004553100000000, -0.0218009100000000, -0.0607405400000000 ] - [ 0.0018343800000000, -0.0000910600000000, 0.0030136500000000 ] - [ 0.0014206800000000, 0.0033045400000000, 0.0047267200000000 ] - [ 0.0002621100000000, 0.0081156000000000, 0.0143746600000000 ] - [ 0.0011587400000000, 0.0042117900000000, 0.0048248700000000 ] - [ -0.0018147600000000, 0.0000847900000000, 0.0035672500000000 ] - [ -0.0012443800000000, 0.0010269600000000, 0.0034186500000000 ] - [ -0.0007413100000000, 0.0047097500000000, 0.0044976000000000 ] - [ -0.0003050800000000, 0.0028826300000000, 0.0042599700000000 ]- atom: 81 displacement: [ 0.0000055737063633, 0.0000000000000000, 0.0099999984466897 ] forces: - [ 0.0029253000000000, -0.0016729500000000, 0.0101876300000000 ] - [ 0.0020601100000000, 0.0058981100000000, 0.0058354200000000 ] - [ 0.0022340200000000, 0.0098348900000000, 0.0046289600000000 ] - [ 0.0016832400000000, 0.0070909400000000, 0.0051015700000000 ] - [ 0.0011273000000000, 0.0036964600000000, -0.0059616100000000 ] - [ -0.0016413100000000, -0.0012696700000000, -0.0049516100000000 ] - [ -0.0014138500000000, -0.0093628900000000, -0.0041973900000000 ] - [ -0.0013844200000000, -0.0032649500000000, -0.0046129600000000 ] - [ -0.0011539400000000, -0.0014120000000000, 0.0017531200000000 ] - [ 0.0027165700000000, -0.0047663500000000, 0.0040498100000000 ] - [ -0.0003650500000000, -0.0102057200000000, 0.0039476700000000 ] - [ 0.0024956600000000, -0.0073096800000000, 0.0045365500000000 ] - [ -0.0081036600000000, -0.0022531100000000, -0.0106059500000000 ] - [ 0.0000134200000000, 0.0013492700000000, -0.0054294800000000 ] - [ -0.0030436400000000, 0.0049754100000000, -0.0049824400000000 ] - [ -0.0008108700000000, 0.0025860900000000, -0.0050163800000000 ] - [ -0.0083734600000000, -0.0164625600000000, -0.0225041000000000 ] - [ -0.0093324600000000, -0.0184841700000000, -0.0226161300000000 ] - [ -0.0180188700000000, -0.0192534100000000, -0.0214848400000000 ] - [ -0.0011895800000000, -0.0189310800000000, -0.0233474000000000 ] - [ 0.0057398100000000, -0.0135982800000000, -0.0101751700000000 ] - [ 0.0102835100000000, -0.0144591400000000, -0.0224962000000000 ] - [ 0.0073672300000000, -0.0127041500000000, -0.0031164900000000 ] - [ 0.0103885000000000, -0.0157310700000000, -0.0226075300000000 ] - [ 0.0366134000000000, -0.0234006200000000, 0.0692868900000000 ] - [ 0.0108887700000000, -0.0301818400000000, 0.0718929300000000 ] - [ 0.0193253100000000, -0.0255200100000000, 0.0675446700000000 ] - [ 0.0206968300000000, -0.0246144200000000, 0.0686603700000000 ] - [ -0.0398898800000000, -0.0618586200000000, 0.1600752100000000 ] - [ -0.0208861900000000, -0.0234155800000000, 0.0691175700000000 ] - [ -0.0218343300000000, -0.0147869300000000, 0.0714621500000000 ] - [ -0.0216949000000000, -0.0226120100000000, 0.0685809800000000 ] - [ -0.0075033700000000, 0.0161623600000000, -0.0300668200000000 ] - [ -0.0115411400000000, 0.0164198200000000, -0.0285442700000000 ] - [ -0.0096717000000000, 0.0183148500000000, -0.0268236400000000 ] - [ -0.0097267500000000, 0.0181642000000000, -0.0267326300000000 ] - [ 0.0081268400000000, 0.0095270500000000, -0.0375617600000000 ] - [ 0.0100881100000000, 0.0146616500000000, -0.0248471300000000 ] - [ 0.0094115200000000, 0.0172451900000000, -0.0267019600000000 ] - [ 0.0097616200000000, 0.0153916400000000, -0.0242435400000000 ] - [ -0.0252457100000000, 0.0226053000000000, 0.0646625000000000 ] - [ -0.0212299900000000, 0.0235546100000000, 0.0680664500000000 ] - [ -0.0243209800000000, 0.0298767600000000, 0.0578864900000000 ] - [ -0.0214729500000000, 0.0230803500000000, 0.0676102100000000 ] - [ 0.0195673800000000, 0.0266457700000000, 0.0665523800000000 ] - [ 0.0226034400000000, 0.0250669300000000, 0.0646333800000000 ] - [ 0.0172630200000000, 0.0265179900000000, 0.0650359800000000 ] - [ 0.0222768000000000, 0.0271551000000000, 0.0632214900000000 ] - [ 0.0002471100000000, -0.0222093600000000, -0.0151518000000000 ] - [ 0.0024948700000000, -0.0036632900000000, -0.0027824200000000 ] - [ 0.0045413700000000, -0.0063803900000000, -0.0182278700000000 ] - [ 0.0026436400000000, -0.0029138000000000, -0.0026005400000000 ] - [ -0.0242362900000000, 0.0364667400000000, -0.0574105800000000 ] - [ 0.0044005800000000, 0.0361394600000000, -0.0611673100000000 ] - [ 0.0040970300000000, 0.0331027500000000, -0.0615367100000000 ] - [ 0.0019163100000000, 0.0347104400000000, -0.0611537500000000 ] - [ 0.0021148600000000, 0.0010452400000000, 0.0042344400000000 ] - [ 0.0022946600000000, 0.0024612700000000, -0.0012395800000000 ] - [ 0.0032663700000000, -0.0017259600000000, 0.0009807200000000 ] - [ 0.0024603200000000, 0.0023515300000000, -0.0015132300000000 ] - [ 0.0034781100000000, -0.0353829200000000, -0.0605257500000000 ] - [ 0.0011811400000000, -0.0350554900000000, -0.0606746200000000 ] - [ 0.0058107800000000, -0.0357771400000000, -0.0594311600000000 ] - [ 0.0009269700000000, -0.0350936900000000, -0.0604954100000000 ] - [ -0.0001711800000000, 0.0003092000000000, -0.0124185100000000 ] - [ -0.0031642200000000, 0.0022775700000000, -0.0121990900000000 ] - [ 0.0003315500000000, -0.0009459500000000, -0.0114842300000000 ] - [ -0.0017896000000000, -0.0013952900000000, -0.0105773900000000 ] - [ 0.0028210800000000, 0.0066880400000000, -0.0105686700000000 ] - [ 0.0000205700000000, -0.0017976100000000, -0.0117610600000000 ] - [ 0.0007691100000000, -0.0076636200000000, -0.0020539400000000 ] - [ 0.0002272300000000, -0.0020205800000000, -0.0115283100000000 ] - [ -0.0010717000000000, 0.0129438100000000, 0.0264519100000000 ] - [ -0.0010710300000000, 0.0137429200000000, 0.0272921400000000 ] - [ 0.0154558200000000, 0.0096495700000000, 0.0286186100000000 ] - [ -0.0027931300000000, 0.0142672300000000, 0.0276044000000000 ] - [ 0.0011301400000000, 0.0139750100000000, 0.0248006000000000 ] - [ -0.0017259700000000, 0.0112453700000000, 0.0264160300000000 ] - [ -0.0106416400000000, 0.0040965700000000, 0.0267902200000000 ] - [ 0.0005386300000000, 0.0112032400000000, 0.0267027200000000 ] - [ 0.0276353400000000, 0.0839611500000000, -0.1667514000000000 ] - [ -0.0017938500000000, -0.0004431800000000, -0.0016215400000000 ] - [ -0.0009234400000000, -0.0041528700000000, -0.0001380100000000 ] - [ -0.0015179600000000, -0.0018068900000000, -0.0005669900000000 ] - [ -0.0012650000000000, -0.0002519300000000, -0.0061429100000000 ] - [ -0.0007911500000000, 0.0025758900000000, -0.0070141100000000 ] - [ 0.0005220000000000, -0.0016355900000000, -0.0018292800000000 ] - [ 0.0006833400000000, -0.0021787500000000, -0.0011344700000000 ] - [ -0.0004871600000000, -0.0031465300000000, -0.0025886900000000 ] - [ 0.0011607400000000, -0.0018784600000000, -0.0017690400000000 ] - [ 0.0007252500000000, -0.0008246000000000, -0.0016720500000000 ] - [ -0.0002161400000000, -0.0016932500000000, -0.0021796600000000 ] - [ 0.0140776600000000, 0.0140180700000000, -0.0538153400000000 ] - [ -0.0053599100000000, 0.0207302500000000, -0.0605580100000000 ] - [ -0.0021643600000000, 0.0212661600000000, -0.0620142200000000 ] - [ -0.0014729600000000, 0.0216784100000000, -0.0612326200000000 ] - [ 0.0008854200000000, 0.0054687500000000, 0.0165879800000000 ] - [ 0.0010213500000000, -0.0034863300000000, 0.0051030500000000 ] - [ 0.0010452100000000, -0.0071383300000000, 0.0043649000000000 ] - [ 0.0008937700000000, -0.0043492500000000, 0.0046564000000000 ] - [ -0.0002713900000000, -0.0015260000000000, 0.0041159300000000 ] - [ -0.0026254800000000, -0.0004316500000000, 0.0055719400000000 ] - [ -0.0006406400000000, -0.0032386100000000, 0.0033213700000000 ] - [ -0.0014501500000000, -0.0030327600000000, 0.0036054000000000 ] - [ -0.0025168700000000, 0.0003104700000000, -0.0087976100000000 ] - [ 0.0006953100000000, 0.0008631200000000, -0.0108289500000000 ] - [ -0.0009664100000000, 0.0010091600000000, -0.0113761000000000 ] - [ -0.0004661000000000, 0.0008459200000000, -0.0116841500000000 ] - [ -0.0001102800000000, -0.0037816100000000, 0.0097414200000000 ] - [ 0.0000246000000000, 0.0020821000000000, -0.0110532100000000 ] - [ 0.0006742300000000, 0.0027690200000000, -0.0116577400000000 ] - [ 0.0002814800000000, 0.0022451500000000, -0.0113932900000000 ] - [ -0.0016030200000000, -0.0132019500000000, 0.0293314400000000 ] - [ 0.0001284300000000, -0.0134714200000000, 0.0279432200000000 ] - [ 0.0002869400000000, -0.0148053600000000, 0.0285301800000000 ] - [ -0.0003827900000000, -0.0139204700000000, 0.0278503200000000 ] - [ 0.0012677600000000, -0.0104596100000000, 0.0283216300000000 ] - [ -0.0022711100000000, -0.0110994600000000, 0.0273115600000000 ] - [ -0.0010777600000000, -0.0110525100000000, 0.0271690500000000 ] - [ -0.0011808700000000, -0.0112035500000000, 0.0269719100000000 ] - [ -0.0017837700000000, 0.0006618800000000, 0.0010142100000000 ] - [ -0.0017301200000000, 0.0013807300000000, -0.0002227400000000 ] - [ -0.0013350700000000, 0.0051674300000000, 0.0042032500000000 ] - [ -0.0016606500000000, 0.0020999500000000, 0.0001727700000000 ] - [ 0.0011764700000000, 0.0016638800000000, 0.0001455900000000 ] - [ 0.0009010100000000, 0.0013424200000000, -0.0008197300000000 ] - [ 0.0010168100000000, 0.0027162000000000, 0.0005808500000000 ] - [ 0.0008843900000000, 0.0032110100000000, 0.0006939400000000 ] - [ 0.0009780700000000, 0.0002708900000000, 0.0014980100000000 ] - [ 0.0006850700000000, 0.0001626300000000, 0.0013295800000000 ] - [ 0.0009447000000000, -0.0000176000000000, 0.0006905000000000 ] - [ 0.0004347700000000, -0.0001405600000000, 0.0006537100000000 ] - [ -0.0002339000000000, -0.0164251000000000, -0.0565485300000000 ] - [ -0.0016159600000000, -0.0218934600000000, -0.0610410500000000 ] - [ -0.0027667400000000, -0.0223552100000000, -0.0598103200000000 ] - [ -0.0008013300000000, -0.0219887800000000, -0.0608844400000000 ] - [ 0.0020244700000000, 0.0025874900000000, 0.0024860600000000 ] - [ 0.0010289600000000, 0.0035356800000000, 0.0045504300000000 ] - [ 0.0058765100000000, -0.0094213900000000, 0.0305721000000000 ] - [ 0.0008256000000000, 0.0040906000000000, 0.0046005900000000 ] - [ -0.0017632100000000, 0.0016290800000000, 0.0036122800000000 ] - [ -0.0012474800000000, 0.0014647900000000, 0.0031558600000000 ] - [ -0.0044179500000000, -0.0007486400000000, 0.0050869500000000 ] - [ -0.0001868500000000, 0.0024529700000000, 0.0035090000000000 ]- atom: 81 displacement: [ -0.0000055737063633, 0.0000000000000000, -0.0099999984466897 ] forces: - [ 0.0001171500000000, 0.0144312900000000, 0.0000612700000000 ] - [ 0.0013874800000000, 0.0066116400000000, 0.0038815400000000 ] - [ 0.0011887200000000, 0.0026211000000000, 0.0051028600000000 ] - [ 0.0017663900000000, 0.0054065300000000, 0.0046174500000000 ] - [ -0.0041915300000000, -0.0079148900000000, -0.0038416000000000 ] - [ -0.0014046700000000, -0.0029142900000000, -0.0048557800000000 ] - [ -0.0016235000000000, 0.0052404300000000, -0.0056499600000000 ] - [ -0.0016643600000000, -0.0009053900000000, -0.0052001300000000 ] - [ 0.0046137700000000, -0.0111217600000000, 0.0079720900000000 ] - [ 0.0007262000000000, -0.0077472000000000, 0.0056693800000000 ] - [ 0.0038293200000000, -0.0022592000000000, 0.0057499900000000 ] - [ 0.0009483500000000, -0.0051859500000000, 0.0051788900000000 ] - [ 0.0050255100000000, 0.0064476900000000, 0.0008358300000000 ] - [ -0.0030578100000000, 0.0028393900000000, -0.0043694300000000 ] - [ 0.0000208000000000, -0.0008396000000000, -0.0048100400000000 ] - [ -0.0022400000000000, 0.0015830500000000, -0.0047883000000000 ] - [ -0.0109341800000000, -0.0190723500000000, -0.0284889100000000 ] - [ -0.0099610500000000, -0.0170606000000000, -0.0283601400000000 ] - [ -0.0011690400000000, -0.0162678100000000, -0.0295171800000000 ] - [ -0.0182104000000000, -0.0165888400000000, -0.0276067600000000 ] - [ 0.0129513100000000, -0.0167884800000000, -0.0369610500000000 ] - [ 0.0083981100000000, -0.0158909900000000, -0.0246093900000000 ] - [ 0.0114785900000000, -0.0183903300000000, -0.0435115400000000 ] - [ 0.0082824900000000, -0.0146130800000000, -0.0244991800000000 ] - [ 0.0033311700000000, -0.0289503300000000, 0.0646541000000000 ] - [ 0.0291787600000000, -0.0221050900000000, 0.0620151600000000 ] - [ 0.0207428400000000, -0.0268223400000000, 0.0664174600000000 ] - [ 0.0193250400000000, -0.0277471600000000, 0.0652970200000000 ] - [ -0.0029798800000000, 0.0194099200000000, -0.0288949100000000 ] - [ -0.0237256000000000, -0.0225845200000000, 0.0674509200000000 ] - [ -0.0227916400000000, -0.0313493600000000, 0.0650424700000000 ] - [ -0.0229061900000000, -0.0234019600000000, 0.0679928800000000 ] - [ -0.0118124200000000, 0.0193695800000000, -0.0209001500000000 ] - [ -0.0077355300000000, 0.0191149800000000, -0.0224393500000000 ] - [ -0.0096240900000000, 0.0172013900000000, -0.0241642100000000 ] - [ -0.0095674800000000, 0.0173515000000000, -0.0242538100000000 ] - [ 0.0105503700000000, 0.0208425100000000, -0.0094541000000000 ] - [ 0.0085909200000000, 0.0156872600000000, -0.0222560000000000 ] - [ 0.0092643300000000, 0.0130862200000000, -0.0204115800000000 ] - [ 0.0089185600000000, 0.0149501100000000, -0.0228626500000000 ] - [ -0.0193675000000000, 0.0233796800000000, 0.0719213100000000 ] - [ -0.0233676700000000, 0.0224529000000000, 0.0685107600000000 ] - [ -0.0203112600000000, 0.0162368200000000, 0.0787546800000000 ] - [ -0.0231288500000000, 0.0229295300000000, 0.0689729700000000 ] - [ 0.0204629400000000, 0.0256918100000000, 0.0674202200000000 ] - [ 0.0174477000000000, 0.0272574500000000, 0.0693319700000000 ] - [ 0.0227779400000000, 0.0258268300000000, 0.0689544600000000 ] - [ 0.0177590700000000, 0.0251993700000000, 0.0707646100000000 ] - [ 0.0051457800000000, 0.0168440400000000, 0.0112465500000000 ] - [ 0.0028774600000000, -0.0018732100000000, -0.0013426600000000 ] - [ 0.0007988600000000, 0.0009891000000000, 0.0141322000000000 ] - [ 0.0027282000000000, -0.0026244700000000, -0.0015228200000000 ] - [ 0.0295690000000000, 0.0336843200000000, -0.0643012600000000 ] - [ 0.0006608100000000, 0.0340720900000000, -0.0606043300000000 ] - [ 0.0009357100000000, 0.0371430800000000, -0.0602286200000000 ] - [ 0.0031581100000000, 0.0355161900000000, -0.0606199800000000 ] - [ 0.0032675100000000, 0.0045133100000000, -0.0084010600000000 ] - [ 0.0030776900000000, 0.0030775400000000, -0.0028888400000000 ] - [ 0.0021109800000000, 0.0072452900000000, -0.0051285500000000 ] - [ 0.0029111200000000, 0.0031895500000000, -0.0026148700000000 ] - [ 0.0016015900000000, -0.0348297500000000, -0.0612540500000000 ] - [ 0.0038804400000000, -0.0351619500000000, -0.0611027300000000 ] - [ -0.0007364700000000, -0.0344533500000000, -0.0623557700000000 ] - [ 0.0041432400000000, -0.0351303900000000, -0.0612830500000000 ] - [ -0.0011473000000000, -0.0012590500000000, -0.0108359000000000 ] - [ 0.0018202700000000, -0.0032030600000000, -0.0110619700000000 ] - [ -0.0016629800000000, 0.0000039900000000, -0.0117791000000000 ] - [ 0.0004861500000000, 0.0004560200000000, -0.0126979500000000 ] - [ -0.0020021100000000, -0.0106789600000000, -0.0123532800000000 ] - [ 0.0007796700000000, -0.0022253200000000, -0.0111728900000000 ] - [ 0.0000191700000000, 0.0038114300000000, -0.0211027000000000 ] - [ 0.0005739900000000, -0.0019994000000000, -0.0114077400000000 ] - [ 0.0005835700000000, 0.0146648300000000, 0.0288386300000000 ] - [ 0.0005644300000000, 0.0138575200000000, 0.0279938500000000 ] - [ -0.0160892300000000, 0.0179612800000000, 0.0266058700000000 ] - [ 0.0023188200000000, 0.0133226000000000, 0.0276749700000000 ] - [ -0.0029786000000000, 0.0085749700000000, 0.0287265300000000 ] - [ -0.0001081900000000, 0.0112984400000000, 0.0271154200000000 ] - [ 0.0089000000000000, 0.0184842900000000, 0.0266685600000000 ] - [ -0.0023897800000000, 0.0113392300000000, 0.0268264500000000 ] - [ -0.0320678700000000, -0.0904450700000000, 0.1700798300000000 ] - [ -0.0010758000000000, -0.0026233700000000, 0.0004984100000000 ] - [ -0.0019469900000000, 0.0011361000000000, -0.0010069700000000 ] - [ -0.0013537500000000, -0.0012477600000000, -0.0005642100000000 ] - [ 0.0029188700000000, -0.0029006000000000, 0.0037665000000000 ] - [ 0.0023677800000000, -0.0057432000000000, 0.0046671700000000 ] - [ 0.0010668700000000, -0.0014876500000000, -0.0005573200000000 ] - [ 0.0009001100000000, -0.0009475700000000, -0.0012583800000000 ] - [ 0.0017242900000000, 0.0016882800000000, 0.0021807900000000 ] - [ 0.0000644900000000, 0.0004081100000000, 0.0013505500000000 ] - [ 0.0004989000000000, -0.0006466900000000, 0.0012600500000000 ] - [ 0.0014543200000000, 0.0002310700000000, 0.0017707500000000 ] - [ -0.0169840200000000, 0.0294049300000000, -0.0681886700000000 ] - [ 0.0026773500000000, 0.0226102500000000, -0.0614105100000000 ] - [ -0.0005202300000000, 0.0220765000000000, -0.0599401200000000 ] - [ -0.0012424600000000, 0.0216571200000000, -0.0607319300000000 ] - [ 0.0015492800000000, -0.0132532600000000, -0.0073050500000000 ] - [ 0.0014211500000000, -0.0041667800000000, 0.0043773700000000 ] - [ 0.0014020900000000, -0.0004767600000000, 0.0051437700000000 ] - [ 0.0015498000000000, -0.0032964800000000, 0.0048273000000000 ] - [ -0.0022109500000000, -0.0024872200000000, 0.0032266900000000 ] - [ 0.0001499200000000, -0.0035827100000000, 0.0017597100000000 ] - [ -0.0018409300000000, -0.0007589300000000, 0.0040222100000000 ] - [ -0.0010311800000000, -0.0009644500000000, 0.0037403800000000 ] - [ 0.0012069600000000, 0.0006389500000000, -0.0144689300000000 ] - [ -0.0020221900000000, 0.0000826600000000, -0.0124239200000000 ] - [ -0.0003520200000000, -0.0000628200000000, -0.0118734300000000 ] - [ -0.0008538600000000, 0.0001016100000000, -0.0115651800000000 ] - [ 0.0009211400000000, 0.0078785200000000, -0.0329159400000000 ] - [ 0.0007784700000000, 0.0019399900000000, -0.0118795600000000 ] - [ 0.0001273900000000, 0.0012545400000000, -0.0112552100000000 ] - [ 0.0005189900000000, 0.0017771200000000, -0.0115381500000000 ] - [ 0.0011215400000000, -0.0144005100000000, 0.0259490100000000 ] - [ -0.0006368200000000, -0.0141293200000000, 0.0273438800000000 ] - [ -0.0007892100000000, -0.0127862700000000, 0.0267551500000000 ] - [ -0.0001214100000000, -0.0136752500000000, 0.0274362000000000 ] - [ -0.0031249300000000, -0.0120876900000000, 0.0252035800000000 ] - [ 0.0004416600000000, -0.0114439900000000, 0.0262180200000000 ] - [ -0.0007575400000000, -0.0114909800000000, 0.0263618300000000 ] - [ -0.0006566400000000, -0.0113394100000000, 0.0265592100000000 ] - [ -0.0010846400000000, 0.0024124100000000, -0.0021392800000000 ] - [ -0.0011409800000000, 0.0016816000000000, -0.0009051000000000 ] - [ -0.0015344500000000, -0.0021391300000000, -0.0053586200000000 ] - [ -0.0012099600000000, 0.0009557600000000, -0.0013050300000000 ] - [ 0.0004044100000000, 0.0014791100000000, -0.0025309300000000 ] - [ 0.0006841100000000, 0.0017977300000000, -0.0015640000000000 ] - [ 0.0005649200000000, 0.0004121300000000, -0.0029740400000000 ] - [ 0.0007005000000000, -0.0000853700000000, -0.0030901100000000 ] - [ 0.0002518800000000, 0.0012029600000000, -0.0019267700000000 ] - [ 0.0005411300000000, 0.0013097400000000, -0.0017522600000000 ] - [ 0.0002842600000000, 0.0014903200000000, -0.0011160900000000 ] - [ 0.0007956400000000, 0.0016136700000000, -0.0010784900000000 ] - [ -0.0024696400000000, -0.0268899800000000, -0.0654008100000000 ] - [ -0.0010903100000000, -0.0214447000000000, -0.0609282500000000 ] - [ 0.0000619700000000, -0.0209940900000000, -0.0621739100000000 ] - [ -0.0019087700000000, -0.0213500900000000, -0.0610876400000000 ] - [ 0.0004115200000000, 0.0050960500000000, 0.0070100700000000 ] - [ 0.0014118200000000, 0.0041182800000000, 0.0049303600000000 ] - [ -0.0033587200000000, 0.0168522800000000, -0.0206988100000000 ] - [ 0.0016166200000000, 0.0035573400000000, 0.0048785000000000 ] - [ -0.0007103900000000, 0.0023919700000000, 0.0037219700000000 ] - [ -0.0012314200000000, 0.0025501000000000, 0.0041814500000000 ] - [ 0.0019291600000000, 0.0047328300000000, 0.0022417600000000 ] - [ -0.0022982700000000, 0.0015504300000000, 0.0038181500000000 ]- atom: 85 displacement: [ 0.0099999993466229, 0.0000000000000000, -0.0000036149054082 ] forces: - [ 0.0048200500000000, 0.0025991800000000, 0.0023317500000000 ] - [ 0.0003054700000000, 0.0067388700000000, 0.0054643400000000 ] - [ 0.0036511000000000, 0.0069746700000000, 0.0040551000000000 ] - [ 0.0006498800000000, 0.0060362800000000, 0.0049912300000000 ] - [ -0.0022331200000000, -0.0024863600000000, -0.0046564500000000 ] - [ -0.0017108800000000, -0.0001633900000000, -0.0051790100000000 ] - [ -0.0023133300000000, -0.0018077000000000, -0.0043656400000000 ] - [ -0.0012118300000000, -0.0043767700000000, -0.0065925600000000 ] - [ 0.0036829300000000, -0.0068580600000000, 0.0059574500000000 ] - [ 0.0005504100000000, -0.0058388300000000, 0.0045445200000000 ] - [ 0.0032594800000000, -0.0058683600000000, 0.0057206100000000 ] - [ 0.0004972400000000, -0.0066155600000000, 0.0046214300000000 ] - [ -0.0030149900000000, 0.0019820600000000, -0.0055600900000000 ] - [ -0.0014699800000000, 0.0033775600000000, -0.0020348800000000 ] - [ -0.0022778900000000, 0.0022747900000000, -0.0051194700000000 ] - [ -0.0015714000000000, 0.0009551000000000, -0.0045306000000000 ] - [ -0.0115716100000000, -0.0175308900000000, -0.0254630500000000 ] - [ -0.0055313200000000, -0.0188465400000000, -0.0232157300000000 ] - [ -0.0128313300000000, -0.0170023800000000, -0.0254852100000000 ] - [ 0.0120553000000000, 0.0084388200000000, -0.0323012100000000 ] - [ 0.0085717600000000, -0.0168262800000000, -0.0233871500000000 ] - [ 0.0087805700000000, -0.0144188900000000, -0.0221801300000000 ] - [ 0.0033418500000000, -0.0114380500000000, -0.0244723400000000 ] - [ 0.0028377400000000, -0.0182218600000000, -0.0232265600000000 ] - [ 0.0159610800000000, -0.0268419000000000, 0.0669455700000000 ] - [ 0.0505450700000000, -0.0419805200000000, 0.0970853000000000 ] - [ 0.0182859500000000, -0.0263935400000000, 0.0670992800000000 ] - [ 0.0223196700000000, -0.0269321800000000, 0.0664951300000000 ] - [ -0.0282724700000000, -0.0244000000000000, 0.0723318900000000 ] - [ -0.0311409100000000, -0.0200574400000000, 0.0680776400000000 ] - [ -0.0220921800000000, -0.0219150400000000, 0.0694204500000000 ] - [ -0.0228861000000000, -0.0240262400000000, 0.0676523600000000 ] - [ -0.0112683000000000, 0.0175392900000000, -0.0255015600000000 ] - [ -0.0072287300000000, 0.0159226800000000, -0.0281544500000000 ] - [ -0.0107734200000000, 0.0175786600000000, -0.0256015900000000 ] - [ -0.0083717900000000, 0.0175702000000000, -0.0257677200000000 ] - [ 0.0100040700000000, 0.0154031900000000, -0.0231815300000000 ] - [ 0.0082399200000000, 0.0148270400000000, -0.0252133800000000 ] - [ 0.0096820300000000, 0.0149096600000000, -0.0237934100000000 ] - [ 0.0088785100000000, 0.0150693700000000, -0.0238217800000000 ] - [ -0.0239311200000000, 0.0220860000000000, 0.0670862800000000 ] - [ -0.0223228100000000, 0.0234951200000000, 0.0683327900000000 ] - [ -0.0223042100000000, 0.0243180500000000, 0.0663930000000000 ] - [ -0.0228544700000000, 0.0226799100000000, 0.0690331800000000 ] - [ 0.0183729500000000, 0.0264013600000000, 0.0669163200000000 ] - [ 0.0232749900000000, 0.0256795700000000, 0.0660355200000000 ] - [ 0.0183240800000000, 0.0264514100000000, 0.0668654000000000 ] - [ 0.0223035000000000, 0.0274342600000000, 0.0672804000000000 ] - [ 0.0032032900000000, -0.0018784100000000, -0.0020068300000000 ] - [ 0.0030979200000000, -0.0044258800000000, -0.0032614500000000 ] - [ 0.0032300100000000, -0.0041933000000000, -0.0036907400000000 ] - [ 0.0031161200000000, -0.0010960900000000, -0.0010347700000000 ] - [ 0.0061212700000000, 0.0349461000000000, -0.0611440300000000 ] - [ 0.0149622400000000, 0.0303766500000000, -0.0510515300000000 ] - [ 0.0036521600000000, 0.0351535300000000, -0.0609401300000000 ] - [ 0.0017565100000000, 0.0349981600000000, -0.0609239700000000 ] - [ 0.0028237000000000, 0.0027437400000000, -0.0016220800000000 ] - [ 0.0028316000000000, 0.0021835800000000, -0.0016884700000000 ] - [ 0.0027257000000000, 0.0023650600000000, -0.0016977900000000 ] - [ 0.0027423800000000, 0.0028803000000000, -0.0022395600000000 ] - [ 0.0038827400000000, -0.0350874100000000, -0.0607645200000000 ] - [ 0.0012963700000000, -0.0348133500000000, -0.0609190300000000 ] - [ 0.0036901000000000, -0.0354245600000000, -0.0605752400000000 ] - [ 0.0018413400000000, -0.0350033100000000, -0.0612008200000000 ] - [ -0.0001362100000000, -0.0004040000000000, -0.0117107300000000 ] - [ -0.0028628700000000, -0.0002304200000000, -0.0120084800000000 ] - [ -0.0000859000000000, -0.0005318200000000, -0.0116198700000000 ] - [ 0.0008716400000000, 0.0033167000000000, -0.0171492500000000 ] - [ 0.0019577600000000, -0.0004936500000000, -0.0113820300000000 ] - [ 0.0006181000000000, -0.0021822300000000, -0.0118113500000000 ] - [ 0.0010243700000000, -0.0031542800000000, -0.0099471400000000 ] - [ 0.0012398200000000, -0.0010598800000000, -0.0124444400000000 ] - [ 0.0009404900000000, 0.0139204100000000, 0.0276334900000000 ] - [ -0.0013326900000000, 0.0139505000000000, 0.0274923800000000 ] - [ 0.0024702800000000, 0.0134507000000000, 0.0278672500000000 ] - [ 0.0119237500000000, 0.0205477300000000, 0.0237634300000000 ] - [ -0.0024819700000000, 0.0137406000000000, 0.0263479500000000 ] - [ 0.0004214900000000, 0.0111221400000000, 0.0266734600000000 ] - [ 0.0005371700000000, 0.0013580000000000, 0.0302512400000000 ] - [ 0.0016778000000000, 0.0113963600000000, 0.0265493200000000 ] - [ 0.0080842900000000, -0.0027717100000000, -0.0026732600000000 ] - [ 0.0010796000000000, -0.0012633900000000, -0.0021420700000000 ] - [ -0.0014750900000000, -0.0011500500000000, -0.0008365500000000 ] - [ -0.0012118700000000, -0.0015850000000000, -0.0006727500000000 ] - [ -0.0734882000000000, -0.0098063800000000, -0.0301648900000000 ] - [ 0.0017288500000000, -0.0015695400000000, -0.0007761600000000 ] - [ 0.0001397000000000, -0.0012508800000000, -0.0017112700000000 ] - [ 0.0011548500000000, -0.0015056100000000, -0.0010692100000000 ] - [ 0.0010766500000000, -0.0006497200000000, -0.0000684500000000 ] - [ -0.0006795700000000, -0.0044596600000000, -0.0021864900000000 ] - [ 0.0010392700000000, -0.0009026800000000, -0.0001530600000000 ] - [ -0.0007354200000000, 0.0020658700000000, 0.0011332500000000 ] - [ -0.0002099400000000, 0.0260974400000000, -0.0674293800000000 ] - [ 0.0016809700000000, 0.0212865500000000, -0.0606418700000000 ] - [ -0.0027255500000000, 0.0213909500000000, -0.0611719600000000 ] - [ -0.0001412700000000, 0.0218851000000000, -0.0609594000000000 ] - [ 0.0013478600000000, -0.0043131000000000, 0.0037923900000000 ] - [ 0.0022690600000000, -0.0031018800000000, 0.0056473000000000 ] - [ 0.0011375200000000, -0.0038836500000000, 0.0044983300000000 ] - [ 0.0014845200000000, -0.0038041500000000, 0.0050574700000000 ] - [ -0.0039749800000000, 0.0003268500000000, 0.0041110300000000 ] - [ -0.0005868500000000, -0.0021655600000000, 0.0034555900000000 ] - [ -0.0019159400000000, -0.0018017700000000, 0.0041174800000000 ] - [ -0.0007601300000000, -0.0021615700000000, 0.0035337300000000 ] - [ -0.0000314000000000, 0.0005160800000000, -0.0118149700000000 ] - [ -0.0011674100000000, -0.0016899600000000, -0.0046035800000000 ] - [ -0.0002358800000000, 0.0004189700000000, -0.0117081100000000 ] - [ -0.0012026300000000, 0.0008641200000000, -0.0113126400000000 ] - [ 0.0007411300000000, 0.0022224900000000, -0.0124235400000000 ] - [ 0.0015481900000000, 0.0015574200000000, -0.0099039100000000 ] - [ 0.0002112800000000, 0.0019695200000000, -0.0116621200000000 ] - [ 0.0007401700000000, 0.0023624500000000, -0.0111611600000000 ] - [ 0.0004512000000000, -0.0136661300000000, 0.0274719800000000 ] - [ -0.0005352000000000, -0.0138530600000000, 0.0282737500000000 ] - [ 0.0002315400000000, -0.0136319800000000, 0.0275933200000000 ] - [ -0.0005890400000000, -0.0139968500000000, 0.0278673800000000 ] - [ -0.0028832300000000, -0.0114706600000000, 0.0268122000000000 ] - [ 0.0004541000000000, -0.0111395000000000, 0.0269143900000000 ] - [ -0.0019424700000000, -0.0112796400000000, 0.0267997900000000 ] - [ -0.0000505500000000, -0.0111509600000000, 0.0268187200000000 ] - [ -0.0014155600000000, 0.0019408100000000, -0.0001748200000000 ] - [ -0.0013294200000000, 0.0015103000000000, -0.0004556600000000 ] - [ -0.0016966100000000, 0.0014637000000000, -0.0003364700000000 ] - [ -0.0011533800000000, 0.0017510000000000, -0.0004720900000000 ] - [ 0.0002590000000000, 0.0018200700000000, -0.0008758300000000 ] - [ 0.0011286400000000, 0.0016013400000000, -0.0009104100000000 ] - [ 0.0002128300000000, 0.0020464800000000, -0.0010816800000000 ] - [ 0.0011557300000000, 0.0015857200000000, -0.0009707200000000 ] - [ 0.0009547900000000, 0.0007077100000000, 0.0000238300000000 ] - [ 0.0001699400000000, 0.0001459500000000, 0.0007191200000000 ] - [ 0.0008919500000000, 0.0006938600000000, -0.0000306600000000 ] - [ 0.0003110500000000, 0.0008067200000000, -0.0006403600000000 ] - [ -0.0026666300000000, -0.0180487200000000, -0.0581698600000000 ] - [ -0.0004945100000000, -0.0219369400000000, -0.0611379000000000 ] - [ -0.0027678100000000, -0.0215637000000000, -0.0606186900000000 ] - [ -0.0002615200000000, -0.0217458300000000, -0.0611164800000000 ] - [ 0.0014448000000000, 0.0041161000000000, 0.0049699500000000 ] - [ 0.0014281300000000, 0.0037993300000000, 0.0044741300000000 ] - [ 0.0032510700000000, 0.0015697200000000, 0.0062615400000000 ] - [ 0.0017774100000000, 0.0038178600000000, 0.0039852900000000 ] - [ -0.0020796000000000, 0.0020415300000000, 0.0035528900000000 ] - [ -0.0007486100000000, 0.0021470100000000, 0.0035493500000000 ] - [ -0.0055757000000000, 0.0003100800000000, 0.0035174800000000 ] - [ -0.0006220200000000, 0.0021132400000000, 0.0036109700000000 ]- atom: 85 displacement: [ -0.0099999993466229, 0.0000000000000000, 0.0000036149054082 ] forces: - [ -0.0012723500000000, 0.0099469600000000, 0.0075020900000000 ] - [ 0.0031359400000000, 0.0057640500000000, 0.0042480300000000 ] - [ -0.0001828500000000, 0.0055239900000000, 0.0056594100000000 ] - [ 0.0027931500000000, 0.0064749100000000, 0.0047234300000000 ] - [ -0.0008176300000000, -0.0016892300000000, -0.0051464900000000 ] - [ -0.0013545000000000, -0.0040009500000000, -0.0046248800000000 ] - [ -0.0007361400000000, -0.0023657300000000, -0.0054330700000000 ] - [ -0.0018586000000000, 0.0001882700000000, -0.0032169400000000 ] - [ -0.0002153500000000, -0.0056344700000000, 0.0037531600000000 ] - [ 0.0028907200000000, -0.0066684200000000, 0.0051700200000000 ] - [ 0.0002063000000000, -0.0066427900000000, 0.0039942700000000 ] - [ 0.0029432800000000, -0.0058902700000000, 0.0050955200000000 ] - [ -0.0000426500000000, 0.0021911900000000, -0.0042514000000000 ] - [ -0.0015857700000000, 0.0007936000000000, -0.0077866600000000 ] - [ -0.0007717200000000, 0.0019030800000000, -0.0046878600000000 ] - [ -0.0014952400000000, 0.0032133100000000, -0.0052746100000000 ] - [ -0.0077326000000000, -0.0179899800000000, -0.0255231300000000 ] - [ -0.0137419400000000, -0.0166799200000000, -0.0277446000000000 ] - [ -0.0064748100000000, -0.0185134600000000, -0.0255006500000000 ] - [ -0.0309759300000000, -0.0439162800000000, -0.0185924700000000 ] - [ 0.0101066800000000, -0.0135319100000000, -0.0237136200000000 ] - [ 0.0098914400000000, -0.0159274100000000, -0.0249208800000000 ] - [ 0.0153296700000000, -0.0188645200000000, -0.0226425500000000 ] - [ 0.0158805100000000, -0.0121093100000000, -0.0238690900000000 ] - [ 0.0240567500000000, -0.0255017300000000, 0.0670234200000000 ] - [ -0.0100686500000000, -0.0103297400000000, 0.0368709600000000 ] - [ 0.0217409300000000, -0.0259454500000000, 0.0668727500000000 ] - [ 0.0177223700000000, -0.0254230000000000, 0.0674678500000000 ] - [ -0.0163205300000000, -0.0216363100000000, 0.0642883800000000 ] - [ -0.0134799200000000, -0.0259467600000000, 0.0684933300000000 ] - [ -0.0225007400000000, -0.0240863200000000, 0.0671614100000000 ] - [ -0.0217255800000000, -0.0219721600000000, 0.0689255800000000 ] - [ -0.0080327200000000, 0.0179817400000000, -0.0254822100000000 ] - [ -0.0120585900000000, 0.0195766100000000, -0.0228831700000000 ] - [ -0.0085269800000000, 0.0179411300000000, -0.0253847500000000 ] - [ -0.0109187200000000, 0.0179477300000000, -0.0252157400000000 ] - [ 0.0086899000000000, 0.0149426900000000, -0.0239270100000000 ] - [ 0.0104242800000000, 0.0155228700000000, -0.0218956600000000 ] - [ 0.0090035500000000, 0.0154346200000000, -0.0233162700000000 ] - [ 0.0097934600000000, 0.0152771000000000, -0.0232856800000000 ] - [ -0.0206799900000000, 0.0239136900000000, 0.0694757600000000 ] - [ -0.0222829100000000, 0.0225134400000000, 0.0682390100000000 ] - [ -0.0222873200000000, 0.0217037500000000, 0.0701648800000000 ] - [ -0.0217582100000000, 0.0233266400000000, 0.0675316100000000 ] - [ 0.0216525100000000, 0.0259400900000000, 0.0670504600000000 ] - [ 0.0167790400000000, 0.0266585600000000, 0.0679224400000000 ] - [ 0.0217018500000000, 0.0258910700000000, 0.0670988600000000 ] - [ 0.0177296300000000, 0.0249176300000000, 0.0667033000000000 ] - [ 0.0021713400000000, -0.0036542800000000, -0.0021298100000000 ] - [ 0.0022836200000000, -0.0011122500000000, -0.0008770900000000 ] - [ 0.0021459000000000, -0.0013544300000000, -0.0004553000000000 ] - [ 0.0022636400000000, -0.0044502600000000, -0.0031146900000000 ] - [ -0.0010404100000000, 0.0352724600000000, -0.0606393400000000 ] - [ -0.0099969600000000, 0.0398937000000000, -0.0708815600000000 ] - [ 0.0014156200000000, 0.0350622400000000, -0.0608386300000000 ] - [ 0.0033191000000000, 0.0352169600000000, -0.0608543300000000 ] - [ 0.0025513600000000, 0.0027924800000000, -0.0025055600000000 ] - [ 0.0025452200000000, 0.0033517100000000, -0.0024426600000000 ] - [ 0.0026485400000000, 0.0031682900000000, -0.0024331100000000 ] - [ 0.0026360300000000, 0.0026553500000000, -0.0018942900000000 ] - [ 0.0011891800000000, -0.0351280200000000, -0.0610130900000000 ] - [ 0.0037691200000000, -0.0354000600000000, -0.0608592900000000 ] - [ 0.0013785700000000, -0.0347945100000000, -0.0612003600000000 ] - [ 0.0032375300000000, -0.0352155400000000, -0.0605752300000000 ] - [ -0.0011802800000000, -0.0005474000000000, -0.0115418100000000 ] - [ 0.0015333200000000, -0.0007122100000000, -0.0112469300000000 ] - [ -0.0012309300000000, -0.0004222400000000, -0.0116297500000000 ] - [ -0.0022122400000000, -0.0042125100000000, -0.0061941500000000 ] - [ -0.0011464100000000, -0.0035256700000000, -0.0115481700000000 ] - [ 0.0001845200000000, -0.0018463000000000, -0.0111208100000000 ] - [ -0.0002234000000000, -0.0008855200000000, -0.0129734800000000 ] - [ -0.0004404300000000, -0.0029809300000000, -0.0104769800000000 ] - [ -0.0014397900000000, 0.0136810800000000, 0.0276539100000000 ] - [ 0.0008287200000000, 0.0136523000000000, 0.0277949900000000 ] - [ -0.0029570200000000, 0.0141445000000000, 0.0274255200000000 ] - [ -0.0126637700000000, 0.0069157500000000, 0.0316328900000000 ] - [ 0.0006330600000000, 0.0088187600000000, 0.0271778300000000 ] - [ -0.0022516000000000, 0.0114196500000000, 0.0268569800000000 ] - [ -0.0023719100000000, 0.0211058900000000, 0.0232970200000000 ] - [ -0.0035176200000000, 0.0111409900000000, 0.0269852400000000 ] - [ -0.0107422200000000, -0.0003036400000000, 0.0015198800000000 ] - [ -0.0039479200000000, -0.0017913700000000, 0.0010182400000000 ] - [ -0.0013984400000000, -0.0019062700000000, -0.0002890000000000 ] - [ -0.0016580000000000, -0.0014755900000000, -0.0004529800000000 ] - [ 0.0743076800000000, 0.0066333800000000, 0.0276673000000000 ] - [ -0.0001391900000000, -0.0015661400000000, -0.0016028700000000 ] - [ 0.0014427100000000, -0.0018812300000000, -0.0006729400000000 ] - [ 0.0004318000000000, -0.0016304500000000, -0.0013133700000000 ] - [ 0.0001525000000000, -0.0008182000000000, -0.0003540900000000 ] - [ 0.0019153600000000, 0.0029567200000000, 0.0017346900000000 ] - [ 0.0001896400000000, -0.0005702500000000, -0.0002740600000000 ] - [ 0.0019759800000000, -0.0035096200000000, -0.0015465100000000 ] - [ -0.0025255500000000, 0.0172729600000000, -0.0545736900000000 ] - [ -0.0043787500000000, 0.0220578300000000, -0.0613278500000000 ] - [ 0.0000098100000000, 0.0219535900000000, -0.0607995300000000 ] - [ -0.0025594600000000, 0.0214572900000000, -0.0610113000000000 ] - [ 0.0010914600000000, -0.0033443200000000, 0.0056839600000000 ] - [ 0.0001810500000000, -0.0045540400000000, 0.0038344800000000 ] - [ 0.0013021900000000, -0.0037746000000000, 0.0049809200000000 ] - [ 0.0009643700000000, -0.0038516100000000, 0.0044240400000000 ] - [ 0.0014919400000000, -0.0043214600000000, 0.0032719500000000 ] - [ -0.0018919400000000, -0.0018497400000000, 0.0038788100000000 ] - [ -0.0005661600000000, -0.0022134600000000, 0.0032201300000000 ] - [ -0.0017190200000000, -0.0018528600000000, 0.0038018400000000 ] - [ -0.0012850000000000, 0.0004367700000000, -0.0114405900000000 ] - [ -0.0001684500000000, 0.0026197800000000, -0.0185636200000000 ] - [ -0.0010812600000000, 0.0005329700000000, -0.0115445700000000 ] - [ -0.0001178300000000, 0.0000920900000000, -0.0119382100000000 ] - [ 0.0000574900000000, 0.0018109900000000, -0.0105137900000000 ] - [ -0.0007415800000000, 0.0024747600000000, -0.0130305300000000 ] - [ 0.0005863700000000, 0.0020614000000000, -0.0112704300000000 ] - [ 0.0000649200000000, 0.0016694400000000, -0.0117695400000000 ] - [ -0.0009541700000000, -0.0139346800000000, 0.0278152600000000 ] - [ 0.0000448800000000, -0.0137473500000000, 0.0270193000000000 ] - [ -0.0007348000000000, -0.0139689000000000, 0.0276950200000000 ] - [ 0.0000895300000000, -0.0136058800000000, 0.0274221300000000 ] - [ 0.0010259000000000, -0.0110699600000000, 0.0267224600000000 ] - [ -0.0022839900000000, -0.0114023000000000, 0.0266160400000000 ] - [ 0.0000960300000000, -0.0112612900000000, 0.0267311100000000 ] - [ -0.0017805900000000, -0.0113897100000000, 0.0267124600000000 ] - [ -0.0014585000000000, 0.0011207300000000, -0.0009437400000000 ] - [ -0.0015406700000000, 0.0015498800000000, -0.0006690700000000 ] - [ -0.0011790400000000, 0.0015950500000000, -0.0007847900000000 ] - [ -0.0017155200000000, 0.0013098100000000, -0.0006521000000000 ] - [ 0.0013244100000000, 0.0013174400000000, -0.0014994100000000 ] - [ 0.0004584200000000, 0.0015357500000000, -0.0014702400000000 ] - [ 0.0013689200000000, 0.0010971500000000, -0.0012951400000000 ] - [ 0.0004315200000000, 0.0015504700000000, -0.0014098900000000 ] - [ 0.0002744400000000, 0.0007627000000000, -0.0004479700000000 ] - [ 0.0010583000000000, 0.0013145000000000, -0.0011256100000000 ] - [ 0.0003369800000000, 0.0007756700000000, -0.0003928600000000 ] - [ 0.0009170400000000, 0.0006695500000000, 0.0002053900000000 ] - [ -0.0000489600000000, -0.0252599100000000, -0.0637709300000000 ] - [ -0.0022059300000000, -0.0214074800000000, -0.0608316600000000 ] - [ 0.0000482100000000, -0.0217837300000000, -0.0613517900000000 ] - [ -0.0024387800000000, -0.0215988700000000, -0.0608517300000000 ] - [ 0.0009982900000000, 0.0035425800000000, 0.0045119200000000 ] - [ 0.0010194200000000, 0.0038548600000000, 0.0050074300000000 ] - [ -0.0007911400000000, 0.0060641400000000, 0.0032314400000000 ] - [ 0.0006663100000000, 0.0038365800000000, 0.0055016900000000 ] - [ -0.0004053300000000, 0.0019758900000000, 0.0037809600000000 ] - [ -0.0017306100000000, 0.0018665900000000, 0.0037875300000000 ] - [ 0.0030871100000000, 0.0037023100000000, 0.0037680600000000 ] - [ -0.0018568300000000, 0.0019007400000000, 0.0037274500000000 ]- atom: 85 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0011960900000000, 0.0129211000000000, 0.0028915500000000 ] - [ 0.0015928900000000, 0.0072180200000000, 0.0043470500000000 ] - [ 0.0059360400000000, -0.0018168800000000, 0.0061239500000000 ] - [ 0.0011580200000000, 0.0050325400000000, 0.0047370800000000 ] - [ -0.0020605200000000, -0.0033058000000000, -0.0046781600000000 ] - [ 0.0011051300000000, -0.0069917000000000, -0.0036825700000000 ] - [ -0.0012468200000000, -0.0006069000000000, -0.0053994100000000 ] - [ -0.0035088000000000, 0.0046750600000000, -0.0071876200000000 ] - [ -0.0002746600000000, -0.0109259500000000, 0.0074699000000000 ] - [ 0.0020957000000000, -0.0074677000000000, 0.0054135200000000 ] - [ 0.0015990200000000, -0.0036590000000000, 0.0037611700000000 ] - [ 0.0018829300000000, -0.0051822700000000, 0.0049624100000000 ] - [ -0.0019894900000000, 0.0033911200000000, -0.0047250700000000 ] - [ -0.0011858200000000, 0.0080946100000000, -0.0040295800000000 ] - [ -0.0008908700000000, 0.0007634800000000, -0.0047236700000000 ] - [ -0.0056343700000000, -0.0041848800000000, -0.0036559200000000 ] - [ -0.0097941300000000, -0.0184899600000000, -0.0258572000000000 ] - [ -0.0102651200000000, -0.0306530700000000, -0.0333981800000000 ] - [ -0.0092769300000000, -0.0168848500000000, -0.0261185800000000 ] - [ 0.0030379300000000, 0.0449522700000000, -0.0251279600000000 ] - [ 0.0068682300000000, -0.0185160200000000, -0.0242755700000000 ] - [ 0.0110937100000000, -0.0169904400000000, -0.0256453100000000 ] - [ 0.0236189900000000, -0.0083244600000000, -0.0246827700000000 ] - [ -0.0016260600000000, -0.0151391500000000, -0.0271613600000000 ] - [ 0.0198102200000000, -0.0255986000000000, 0.0663496800000000 ] - [ 0.0151315200000000, 0.0096033000000000, 0.0398182400000000 ] - [ 0.0202033800000000, -0.0266913500000000, 0.0668058800000000 ] - [ 0.0219082500000000, -0.0392088200000000, 0.0604459400000000 ] - [ -0.0315559800000000, -0.0189247500000000, 0.0664105800000000 ] - [ -0.0094174400000000, -0.0250168000000000, 0.0658419300000000 ] - [ -0.0207373800000000, -0.0262611600000000, 0.0670301700000000 ] - [ -0.0244434000000000, -0.0245973300000000, 0.0676691400000000 ] - [ -0.0096494800000000, 0.0184588400000000, -0.0246534600000000 ] - [ -0.0104195800000000, 0.0249376100000000, -0.0166750100000000 ] - [ -0.0097669300000000, 0.0172371600000000, -0.0253801100000000 ] - [ -0.0089476900000000, 0.0144423200000000, -0.0239562100000000 ] - [ 0.0079605000000000, 0.0169963600000000, -0.0221114900000000 ] - [ 0.0108381900000000, 0.0165684000000000, -0.0206263700000000 ] - [ 0.0094414400000000, 0.0138841500000000, -0.0231255600000000 ] - [ 0.0089104800000000, 0.0140559000000000, -0.0225222300000000 ] - [ -0.0236728600000000, 0.0213220400000000, 0.0681806200000000 ] - [ -0.0216058100000000, 0.0223716300000000, 0.0682104000000000 ] - [ -0.0196740700000000, 0.0248166700000000, 0.0705609700000000 ] - [ -0.0256162200000000, 0.0227412400000000, 0.0705959900000000 ] - [ 0.0197580800000000, 0.0259386100000000, 0.0669947600000000 ] - [ 0.0208109700000000, 0.0229658100000000, 0.0652492900000000 ] - [ 0.0199451000000000, 0.0264353200000000, 0.0676762900000000 ] - [ 0.0206830100000000, 0.0307344400000000, 0.0812200800000000 ] - [ 0.0037584800000000, -0.0016884400000000, -0.0015180200000000 ] - [ 0.0016636500000000, -0.0005615700000000, -0.0004948400000000 ] - [ 0.0011677000000000, -0.0016867300000000, 0.0003726000000000 ] - [ 0.0031867900000000, -0.0020385400000000, 0.0001227300000000 ] - [ 0.0048790400000000, 0.0339910000000000, -0.0608845300000000 ] - [ -0.0183916600000000, 0.0278662100000000, -0.0630844800000000 ] - [ 0.0017004600000000, 0.0358250300000000, -0.0606112900000000 ] - [ 0.0048509200000000, 0.0378882200000000, -0.0599057900000000 ] - [ 0.0030902900000000, 0.0029153900000000, -0.0024721100000000 ] - [ 0.0029441800000000, 0.0028382600000000, -0.0031744600000000 ] - [ 0.0024114100000000, 0.0033819700000000, -0.0028327200000000 ] - [ 0.0032725600000000, 0.0036627000000000, -0.0033847100000000 ] - [ 0.0030620900000000, -0.0346373900000000, -0.0610248900000000 ] - [ 0.0013295700000000, -0.0336813900000000, -0.0610428400000000 ] - [ 0.0017654100000000, -0.0356107400000000, -0.0610392700000000 ] - [ 0.0059403900000000, -0.0360872300000000, -0.0623662700000000 ] - [ -0.0006552800000000, -0.0006046000000000, -0.0115169300000000 ] - [ -0.0019236100000000, 0.0029247500000000, -0.0072515900000000 ] - [ -0.0006126100000000, -0.0004080900000000, -0.0117250400000000 ] - [ 0.0013659100000000, 0.0219595600000000, -0.0430584000000000 ] - [ 0.0017171500000000, -0.0012296300000000, -0.0112735800000000 ] - [ 0.0004069800000000, -0.0025877400000000, -0.0108576200000000 ] - [ -0.0021032000000000, -0.0015788200000000, -0.0132727800000000 ] - [ 0.0020957600000000, -0.0012743800000000, -0.0121680900000000 ] - [ 0.0004923800000000, 0.0144785200000000, 0.0279590900000000 ] - [ -0.0020041400000000, 0.0159016400000000, 0.0288621200000000 ] - [ -0.0026008800000000, 0.0125940100000000, 0.0271849600000000 ] - [ 0.0215588900000000, 0.0123383300000000, 0.0237897500000000 ] - [ 0.0013076200000000, 0.0141058600000000, 0.0273335200000000 ] - [ -0.0015314200000000, 0.0113302600000000, 0.0270543800000000 ] - [ -0.0251197800000000, 0.0263681200000000, 0.0202939100000000 ] - [ 0.0010404700000000, 0.0112746400000000, 0.0266067500000000 ] - [ -0.0001292700000000, -0.0060212900000000, 0.0007571100000000 ] - [ -0.0019055700000000, -0.0053984800000000, 0.0035736700000000 ] - [ -0.0019299000000000, 0.0005999100000000, -0.0006405500000000 ] - [ -0.0014627200000000, -0.0002003900000000, -0.0011769200000000 ] - [ -0.0064340900000000, -0.1625724400000000, 0.0909439900000000 ] - [ 0.0007929700000000, -0.0027361800000000, -0.0000246900000000 ] - [ 0.0011091200000000, 0.0040434600000000, -0.0023833100000000 ] - [ 0.0008553500000000, -0.0010141200000000, -0.0014401200000000 ] - [ 0.0006522800000000, -0.0003329600000000, 0.0000909300000000 ] - [ -0.0026541800000000, 0.0152979200000000, 0.0020183800000000 ] - [ 0.0006318000000000, -0.0006711100000000, 0.0001449300000000 ] - [ 0.0049119100000000, 0.0166106200000000, 0.0154982200000000 ] - [ 0.0117262600000000, 0.0260603900000000, -0.0700254600000000 ] - [ -0.0035857500000000, 0.0220902000000000, -0.0611455400000000 ] - [ -0.0029297100000000, 0.0227869200000000, -0.0597491800000000 ] - [ -0.0006947300000000, 0.0217402700000000, -0.0606380400000000 ] - [ 0.0017372100000000, -0.0052240200000000, 0.0042622700000000 ] - [ -0.0000853200000000, -0.0055030100000000, 0.0034782600000000 ] - [ 0.0017351000000000, -0.0022046700000000, 0.0053521600000000 ] - [ 0.0012875800000000, -0.0025510700000000, 0.0050462000000000 ] - [ 0.0008950500000000, -0.0106422700000000, -0.0007652100000000 ] - [ -0.0011896200000000, -0.0024601900000000, 0.0033104800000000 ] - [ -0.0018852300000000, 0.0014566300000000, 0.0052491900000000 ] - [ -0.0013517400000000, -0.0014869500000000, 0.0038751400000000 ] - [ -0.0007238500000000, 0.0004215400000000, -0.0119935800000000 ] - [ -0.0010492900000000, 0.0057449600000000, -0.0269422800000000 ] - [ -0.0006383900000000, 0.0003969400000000, -0.0115462700000000 ] - [ -0.0005362200000000, 0.0008004100000000, -0.0102849400000000 ] - [ 0.0017249900000000, 0.0017694000000000, -0.0123625800000000 ] - [ -0.0007907100000000, 0.0021535400000000, -0.0131960200000000 ] - [ 0.0003354500000000, 0.0019461000000000, -0.0111279800000000 ] - [ 0.0002901100000000, 0.0016760900000000, -0.0114521600000000 ] - [ 0.0001623500000000, -0.0142461700000000, 0.0275341100000000 ] - [ -0.0017290300000000, -0.0148329400000000, 0.0264937600000000 ] - [ -0.0003173100000000, -0.0134718500000000, 0.0275292900000000 ] - [ -0.0000181100000000, -0.0128198100000000, 0.0271795300000000 ] - [ 0.0004895500000000, -0.0121887800000000, 0.0257107800000000 ] - [ -0.0013759000000000, -0.0114849000000000, 0.0264370200000000 ] - [ -0.0013767400000000, -0.0110358500000000, 0.0266419400000000 ] - [ -0.0006032000000000, -0.0112493700000000, 0.0266504500000000 ] - [ -0.0009587800000000, 0.0024829800000000, -0.0006576200000000 ] - [ -0.0014133400000000, 0.0022253600000000, -0.0003373400000000 ] - [ -0.0014919800000000, 0.0001689800000000, -0.0017100500000000 ] - [ -0.0011558400000000, 0.0000781200000000, -0.0022052400000000 ] - [ 0.0005437800000000, 0.0038892300000000, -0.0005427000000000 ] - [ 0.0007614200000000, 0.0019023400000000, -0.0010773400000000 ] - [ 0.0003194400000000, -0.0029009500000000, -0.0063681700000000 ] - [ 0.0007760400000000, 0.0009258800000000, -0.0018646300000000 ] - [ 0.0005795600000000, 0.0007670900000000, -0.0004501300000000 ] - [ 0.0000405400000000, 0.0011513000000000, -0.0025305700000000 ] - [ 0.0006230200000000, 0.0009998100000000, -0.0004590100000000 ] - [ 0.0006751100000000, 0.0032194500000000, -0.0043752800000000 ] - [ -0.0011724300000000, -0.0196500600000000, -0.0597075800000000 ] - [ -0.0014291200000000, -0.0216183600000000, -0.0610337300000000 ] - [ -0.0041777300000000, -0.0225836700000000, -0.0633000000000000 ] - [ -0.0004116200000000, -0.0214997200000000, -0.0611736900000000 ] - [ 0.0002341400000000, 0.0061493700000000, 0.0045742500000000 ] - [ 0.0014479600000000, 0.0049893600000000, 0.0051205500000000 ] - [ 0.0015760700000000, 0.0009622400000000, 0.0042665900000000 ] - [ 0.0024762700000000, 0.0029188400000000, 0.0043771400000000 ] - [ -0.0006357200000000, 0.0057862500000000, 0.0049521400000000 ] - [ -0.0010920900000000, 0.0024771800000000, 0.0037245900000000 ] - [ -0.0021390800000000, -0.0028299300000000, -0.0076918700000000 ] - [ -0.0013070500000000, 0.0016531000000000, 0.0035999500000000 ]- atom: 85 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0023772400000000, -0.0003432200000000, 0.0070199100000000 ] - [ 0.0018566100000000, 0.0052806600000000, 0.0053797700000000 ] - [ -0.0025362100000000, 0.0143793900000000, 0.0035840000000000 ] - [ 0.0022996300000000, 0.0074790500000000, 0.0049854900000000 ] - [ -0.0009886200000000, -0.0008583700000000, -0.0051319100000000 ] - [ -0.0041620200000000, 0.0028677700000000, -0.0061195800000000 ] - [ -0.0018025500000000, -0.0035844000000000, -0.0044043200000000 ] - [ 0.0004616500000000, -0.0089423900000000, -0.0026070500000000 ] - [ 0.0037448800000000, -0.0015380000000000, 0.0022471000000000 ] - [ 0.0013500700000000, -0.0050198700000000, 0.0043019300000000 ] - [ 0.0018655900000000, -0.0088917800000000, 0.0059506400000000 ] - [ 0.0015645300000000, -0.0073311200000000, 0.0047583500000000 ] - [ -0.0010571100000000, 0.0007755700000000, -0.0050830000000000 ] - [ -0.0019025500000000, -0.0039458700000000, -0.0057600100000000 ] - [ -0.0021684500000000, 0.0034235900000000, -0.0050889900000000 ] - [ 0.0026385900000000, 0.0084201600000000, -0.0061768800000000 ] - [ -0.0095054300000000, -0.0170225400000000, -0.0251252000000000 ] - [ -0.0090272800000000, -0.0048111700000000, -0.0176088600000000 ] - [ -0.0100229800000000, -0.0186475800000000, -0.0248599100000000 ] - [ -0.0239716900000000, -0.0853176400000000, -0.0237054000000000 ] - [ 0.0118049600000000, -0.0118077500000000, -0.0228231900000000 ] - [ 0.0075858300000000, -0.0133337600000000, -0.0214361300000000 ] - [ -0.0050634500000000, -0.0221378500000000, -0.0223908400000000 ] - [ 0.0203815000000000, -0.0152227000000000, -0.0199092600000000 ] - [ 0.0202195700000000, -0.0267449900000000, 0.0676235200000000 ] - [ 0.0243821700000000, -0.0613796800000000, 0.0922199900000000 ] - [ 0.0198266500000000, -0.0256466700000000, 0.0671652200000000 ] - [ 0.0180998000000000, -0.0129836000000000, 0.0736174900000000 ] - [ -0.0129877300000000, -0.0270552400000000, 0.0701394900000000 ] - [ -0.0353201500000000, -0.0209576700000000, 0.0707496400000000 ] - [ -0.0238823700000000, -0.0197247400000000, 0.0695605000000000 ] - [ -0.0201254500000000, -0.0214023800000000, 0.0689113500000000 ] - [ -0.0096486600000000, 0.0170554100000000, -0.0263398900000000 ] - [ -0.0088667000000000, 0.0105326200000000, -0.0344300700000000 ] - [ -0.0095289300000000, 0.0182868500000000, -0.0256063700000000 ] - [ -0.0103539300000000, 0.0210995100000000, -0.0270328700000000 ] - [ 0.0107363200000000, 0.0133435500000000, -0.0250087300000000 ] - [ 0.0078222300000000, 0.0137663600000000, -0.0265097700000000 ] - [ 0.0092362100000000, 0.0164733400000000, -0.0239838500000000 ] - [ 0.0097753900000000, 0.0163013000000000, -0.0245897300000000 ] - [ -0.0209179400000000, 0.0247000000000000, 0.0683922800000000 ] - [ -0.0229958000000000, 0.0236440100000000, 0.0683636900000000 ] - [ -0.0249484700000000, 0.0211649900000000, 0.0659929600000000 ] - [ -0.0189613000000000, 0.0232556700000000, 0.0659610700000000 ] - [ 0.0202733500000000, 0.0264062200000000, 0.0669734600000000 ] - [ 0.0192132600000000, 0.0294179300000000, 0.0687125200000000 ] - [ 0.0200862600000000, 0.0259023700000000, 0.0662871600000000 ] - [ 0.0193330300000000, 0.0214860800000000, 0.0526170400000000 ] - [ 0.0016089100000000, -0.0038689500000000, -0.0026255600000000 ] - [ 0.0037168300000000, -0.0050128100000000, -0.0036611500000000 ] - [ 0.0042154500000000, -0.0038581600000000, -0.0045251600000000 ] - [ 0.0021795300000000, -0.0034998300000000, -0.0042671500000000 ] - [ 0.0001718700000000, 0.0362312700000000, -0.0608891900000000 ] - [ 0.0236084800000000, 0.0422872700000000, -0.0585753500000000 ] - [ 0.0033750700000000, 0.0343888400000000, -0.0611696600000000 ] - [ 0.0001759200000000, 0.0323071900000000, -0.0618845500000000 ] - [ 0.0022772100000000, 0.0026215000000000, -0.0016527500000000 ] - [ 0.0024264600000000, 0.0026964100000000, -0.0009468000000000 ] - [ 0.0029614000000000, 0.0021562200000000, -0.0012932200000000 ] - [ 0.0020913100000000, 0.0018771300000000, -0.0007360800000000 ] - [ 0.0020022000000000, -0.0355871500000000, -0.0607516600000000 ] - [ 0.0037420400000000, -0.0365548000000000, -0.0607301000000000 ] - [ 0.0033090200000000, -0.0346037900000000, -0.0607375600000000 ] - [ -0.0008957600000000, -0.0341160000000000, -0.0593988900000000 ] - [ -0.0006607500000000, -0.0003469500000000, -0.0117358900000000 ] - [ 0.0006034000000000, -0.0038983100000000, -0.0159851100000000 ] - [ -0.0007041800000000, -0.0005415200000000, -0.0115270000000000 ] - [ -0.0026982800000000, -0.0233685100000000, 0.0202896900000000 ] - [ -0.0009283700000000, -0.0028047100000000, -0.0116548400000000 ] - [ 0.0003914000000000, -0.0014370100000000, -0.0120764500000000 ] - [ 0.0029296400000000, -0.0024469600000000, -0.0096409300000000 ] - [ -0.0013125300000000, -0.0027492800000000, -0.0107583300000000 ] - [ -0.0009944900000000, 0.0131146900000000, 0.0273257200000000 ] - [ 0.0014946000000000, 0.0116802600000000, 0.0264186900000000 ] - [ 0.0021175400000000, 0.0150184900000000, 0.0281027400000000 ] - [ -0.0222552700000000, 0.0153834800000000, 0.0315288600000000 ] - [ -0.0031365100000000, 0.0084291200000000, 0.0262018900000000 ] - [ -0.0002997300000000, 0.0112093700000000, 0.0264758900000000 ] - [ 0.0237063600000000, -0.0040259100000000, 0.0333517500000000 ] - [ -0.0028889900000000, 0.0112695600000000, 0.0269253200000000 ] - [ -0.0028255100000000, 0.0030029300000000, -0.0018883800000000 ] - [ -0.0009514600000000, 0.0023737700000000, -0.0047441300000000 ] - [ -0.0009328500000000, -0.0036719100000000, -0.0004911000000000 ] - [ -0.0014109300000000, -0.0028685500000000, 0.0000560200000000 ] - [ 0.0099664900000000, 0.1644599300000000, -0.0942855600000000 ] - [ 0.0007935900000000, -0.0003892700000000, -0.0023706000000000 ] - [ 0.0004776200000000, -0.0072187600000000, 0.0000048000000000 ] - [ 0.0007296500000000, -0.0021268900000000, -0.0009427800000000 ] - [ 0.0005787900000000, -0.0011431700000000, -0.0005188100000000 ] - [ 0.0038337000000000, -0.0166869300000000, -0.0025375700000000 ] - [ 0.0005981600000000, -0.0007987800000000, -0.0005708400000000 ] - [ -0.0037743900000000, -0.0183842700000000, -0.0162077000000000 ] - [ -0.0144015000000000, 0.0172433000000000, -0.0519839400000000 ] - [ 0.0009026600000000, 0.0212412400000000, -0.0608180600000000 ] - [ 0.0002481700000000, 0.0205500200000000, -0.0622365300000000 ] - [ -0.0020186400000000, 0.0216004900000000, -0.0613367400000000 ] - [ 0.0006954700000000, -0.0024235600000000, 0.0052239300000000 ] - [ 0.0025402000000000, -0.0021338900000000, 0.0060124200000000 ] - [ 0.0007059900000000, -0.0054577900000000, 0.0041224700000000 ] - [ 0.0011515500000000, -0.0051116900000000, 0.0044292800000000 ] - [ -0.0033527900000000, 0.0066382800000000, 0.0082444300000000 ] - [ -0.0012890200000000, -0.0015474200000000, 0.0040277300000000 ] - [ -0.0005874100000000, -0.0055000800000000, 0.0020590100000000 ] - [ -0.0011251900000000, -0.0025300500000000, 0.0034576200000000 ] - [ -0.0005911800000000, 0.0005284300000000, -0.0112539800000000 ] - [ -0.0002615900000000, -0.0047982600000000, 0.0038453600000000 ] - [ -0.0006784300000000, 0.0005544000000000, -0.0117061500000000 ] - [ -0.0007810700000000, 0.0001514800000000, -0.0129888400000000 ] - [ -0.0009321700000000, 0.0022523000000000, -0.0105630700000000 ] - [ 0.0016048800000000, 0.0018622500000000, -0.0097119800000000 ] - [ 0.0004625600000000, 0.0020804800000000, -0.0118054900000000 ] - [ 0.0005082200000000, 0.0023516700000000, -0.0114799100000000 ] - [ -0.0006683500000000, -0.0133494700000000, 0.0277535900000000 ] - [ 0.0012472300000000, -0.0127575200000000, 0.0288038200000000 ] - [ -0.0001842900000000, -0.0141294200000000, 0.0277580100000000 ] - [ -0.0004884300000000, -0.0147857700000000, 0.0281087100000000 ] - [ -0.0023486900000000, -0.0103533900000000, 0.0278283900000000 ] - [ -0.0004536000000000, -0.0110564300000000, 0.0270975900000000 ] - [ -0.0004537300000000, -0.0115062500000000, 0.0268908600000000 ] - [ -0.0012358800000000, -0.0112935900000000, 0.0268826600000000 ] - [ -0.0019157500000000, 0.0005668900000000, -0.0004704800000000 ] - [ -0.0014591500000000, 0.0008255500000000, -0.0007910200000000 ] - [ -0.0013812200000000, 0.0028997400000000, 0.0005954800000000 ] - [ -0.0017170200000000, 0.0029939500000000, 0.0010931800000000 ] - [ 0.0010446000000000, -0.0007732400000000, -0.0018449200000000 ] - [ 0.0008252200000000, 0.0012306100000000, -0.0013070600000000 ] - [ 0.0012707900000000, 0.0060826600000000, 0.0040377800000000 ] - [ 0.0008102000000000, 0.0022156600000000, -0.0005141600000000 ] - [ 0.0006515700000000, 0.0007018400000000, 0.0000289300000000 ] - [ 0.0011955000000000, 0.0003016700000000, 0.0021436700000000 ] - [ 0.0006079500000000, 0.0004693000000000, 0.0000369400000000 ] - [ 0.0005546100000000, -0.0017494300000000, 0.0039836800000000 ] - [ -0.0015317600000000, -0.0237155000000000, -0.0622804400000000 ] - [ -0.0012758100000000, -0.0217251700000000, -0.0609376700000000 ] - [ 0.0014951300000000, -0.0207373000000000, -0.0586446800000000 ] - [ -0.0023002300000000, -0.0218409500000000, -0.0607957700000000 ] - [ 0.0022235400000000, 0.0014787200000000, 0.0049115800000000 ] - [ 0.0009890200000000, 0.0026487800000000, 0.0043560900000000 ] - [ 0.0008632200000000, 0.0067089300000000, 0.0052106500000000 ] - [ -0.0000413300000000, 0.0047413400000000, 0.0051042900000000 ] - [ -0.0018464800000000, -0.0018101700000000, 0.0023900100000000 ] - [ -0.0013866000000000, 0.0015292300000000, 0.0036111500000000 ] - [ -0.0003232300000000, 0.0069663200000000, 0.0150022400000000 ] - [ -0.0011699300000000, 0.0023611600000000, 0.0037360000000000 ]- atom: 85 displacement: [ 0.0000055737063633, 0.0000000000000000, 0.0099999984466897 ] forces: - [ -0.0038501600000000, -0.0020392000000000, 0.0076507600000000 ] - [ 0.0013892000000000, 0.0058567800000000, 0.0059992200000000 ] - [ -0.0001024100000000, 0.0104853100000000, 0.0043877800000000 ] - [ 0.0017702500000000, 0.0071985700000000, 0.0052096800000000 ] - [ -0.0013778500000000, -0.0012438900000000, -0.0049198000000000 ] - [ -0.0037762600000000, 0.0037901600000000, -0.0053168900000000 ] - [ -0.0017649900000000, -0.0033923600000000, -0.0044575000000000 ] - [ -0.0031585000000000, -0.0105487400000000, -0.0052348200000000 ] - [ 0.0052849900000000, -0.0010761200000000, 0.0021894900000000 ] - [ 0.0006731400000000, -0.0047175500000000, 0.0039057600000000 ] - [ 0.0049197100000000, -0.0105631800000000, 0.0035010300000000 ] - [ 0.0008131700000000, -0.0074829500000000, 0.0044397900000000 ] - [ -0.0030513600000000, 0.0013301200000000, -0.0054476200000000 ] - [ 0.0053117000000000, -0.0027109700000000, -0.0103506200000000 ] - [ -0.0023612800000000, 0.0027302900000000, -0.0050197200000000 ] - [ 0.0009047900000000, 0.0052630500000000, -0.0054204900000000 ] - [ -0.0109865100000000, -0.0169994100000000, -0.0245787700000000 ] - [ -0.0060138700000000, -0.0175318400000000, -0.0146948100000000 ] - [ -0.0108728200000000, -0.0184536100000000, -0.0245106000000000 ] - [ -0.0081273200000000, -0.0159134000000000, -0.0135102200000000 ] - [ 0.0082328100000000, -0.0154670900000000, -0.0204338700000000 ] - [ 0.0088179900000000, -0.0131645200000000, -0.0193273800000000 ] - [ -0.0000248400000000, -0.0165480200000000, -0.0209183900000000 ] - [ 0.0183853900000000, -0.0163971000000000, -0.0185145300000000 ] - [ 0.0182118000000000, -0.0269208400000000, 0.0677401400000000 ] - [ 0.0394283900000000, -0.0695227300000000, 0.1569557300000000 ] - [ 0.0192094700000000, -0.0259295600000000, 0.0672961900000000 ] - [ 0.0202763000000000, -0.0211994800000000, 0.0709013900000000 ] - [ -0.0131933400000000, -0.0264597900000000, 0.0735127400000000 ] - [ -0.0419692600000000, -0.0184018700000000, 0.0712943300000000 ] - [ -0.0226162900000000, -0.0209106400000000, 0.0702120000000000 ] - [ -0.0217497900000000, -0.0219287200000000, 0.0687410300000000 ] - [ -0.0105124300000000, 0.0170467500000000, -0.0267900400000000 ] - [ -0.0079543600000000, 0.0110080500000000, -0.0433193800000000 ] - [ -0.0101012000000000, 0.0179428000000000, -0.0260888300000000 ] - [ -0.0097231700000000, 0.0195130800000000, -0.0289789700000000 ] - [ 0.0118552500000000, 0.0140215800000000, -0.0266366500000000 ] - [ 0.0066373500000000, 0.0139122900000000, -0.0286409800000000 ] - [ 0.0096211100000000, 0.0157065000000000, -0.0250092400000000 ] - [ 0.0094252800000000, 0.0158505900000000, -0.0255427300000000 ] - [ -0.0246877500000000, 0.0226113800000000, 0.0658654500000000 ] - [ -0.0216953100000000, 0.0239489100000000, 0.0678785100000000 ] - [ -0.0251029300000000, 0.0240736300000000, 0.0643884600000000 ] - [ -0.0187309400000000, 0.0236313600000000, 0.0661990600000000 ] - [ 0.0189401400000000, 0.0265934800000000, 0.0667474800000000 ] - [ 0.0226385800000000, 0.0261904100000000, 0.0620085900000000 ] - [ 0.0192179000000000, 0.0261274800000000, 0.0662819900000000 ] - [ 0.0217955800000000, 0.0316373600000000, 0.0529229500000000 ] - [ 0.0021609500000000, -0.0044885600000000, -0.0041492300000000 ] - [ 0.0040804200000000, -0.0068445000000000, -0.0055030400000000 ] - [ 0.0037561500000000, -0.0041088400000000, -0.0047866100000000 ] - [ 0.0029679800000000, -0.0027837000000000, -0.0045755100000000 ] - [ 0.0014254800000000, 0.0361671200000000, -0.0611551600000000 ] - [ 0.0351289700000000, 0.0369670800000000, -0.0576254400000000 ] - [ 0.0033486800000000, 0.0346881400000000, -0.0611469500000000 ] - [ 0.0013519200000000, 0.0334473300000000, -0.0616049300000000 ] - [ 0.0025654700000000, 0.0019888000000000, -0.0000685800000000 ] - [ 0.0020061400000000, 0.0021413300000000, 0.0004811200000000 ] - [ 0.0029881700000000, 0.0015589100000000, -0.0009046800000000 ] - [ 0.0020714100000000, 0.0016039800000000, -0.0006321500000000 ] - [ 0.0037077400000000, -0.0352015800000000, -0.0606499700000000 ] - [ 0.0012108600000000, -0.0355333000000000, -0.0603445400000000 ] - [ 0.0040384500000000, -0.0351705300000000, -0.0604711300000000 ] - [ -0.0020273500000000, -0.0352706200000000, -0.0592647000000000 ] - [ -0.0002764800000000, -0.0002593000000000, -0.0119088300000000 ] - [ -0.0023007900000000, 0.0067968100000000, -0.0099885800000000 ] - [ -0.0004857000000000, -0.0004380900000000, -0.0117266400000000 ] - [ -0.0015008300000000, -0.0085750000000000, 0.0026710500000000 ] - [ 0.0031573200000000, 0.0006918400000000, -0.0120148500000000 ] - [ -0.0002533500000000, -0.0010428400000000, -0.0124606900000000 ] - [ 0.0019018300000000, -0.0027609700000000, -0.0104543900000000 ] - [ -0.0008883900000000, -0.0025554700000000, -0.0113377500000000 ] - [ 0.0004806600000000, 0.0136425800000000, 0.0272797800000000 ] - [ -0.0013705500000000, 0.0130272700000000, 0.0264680600000000 ] - [ 0.0020517200000000, 0.0142096400000000, 0.0276471000000000 ] - [ -0.0197097400000000, 0.0096520100000000, 0.0284170400000000 ] - [ -0.0019752900000000, 0.0137606400000000, 0.0250739900000000 ] - [ 0.0002948800000000, 0.0111996100000000, 0.0263169900000000 ] - [ 0.0114509600000000, 0.0021868900000000, 0.0266357600000000 ] - [ -0.0020817800000000, 0.0112728200000000, 0.0267770700000000 ] - [ 0.0006565800000000, -0.0001495900000000, -0.0055161700000000 ] - [ 0.0004813100000000, 0.0027302400000000, -0.0063823100000000 ] - [ -0.0009888900000000, -0.0018820100000000, -0.0011999500000000 ] - [ -0.0013077100000000, -0.0024098700000000, -0.0005039800000000 ] - [ -0.0273082400000000, 0.0894640300000000, -0.1706887700000000 ] - [ 0.0012054900000000, -0.0003965000000000, -0.0023430300000000 ] - [ 0.0002744500000000, -0.0027497600000000, -0.0020463400000000 ] - [ 0.0009164600000000, -0.0018128400000000, -0.0011874600000000 ] - [ 0.0008229100000000, -0.0013439400000000, -0.0007359600000000 ] - [ 0.0011860100000000, -0.0140771100000000, -0.0103030800000000 ] - [ 0.0007096600000000, -0.0008570900000000, -0.0006054100000000 ] - [ -0.0011249600000000, -0.0036518700000000, -0.0129173600000000 ] - [ -0.0171759500000000, 0.0138475700000000, -0.0543627400000000 ] - [ 0.0028146300000000, 0.0207844100000000, -0.0605470500000000 ] - [ -0.0013654000000000, 0.0215825500000000, -0.0621331400000000 ] - [ -0.0011643800000000, 0.0216518900000000, -0.0612604300000000 ] - [ -0.0000909100000000, -0.0033228600000000, 0.0051210900000000 ] - [ 0.0032441700000000, -0.0022298700000000, 0.0065936800000000 ] - [ 0.0004151900000000, -0.0052854300000000, 0.0042551100000000 ] - [ 0.0014441000000000, -0.0048446200000000, 0.0049367400000000 ] - [ -0.0018394200000000, 0.0072326200000000, 0.0202796000000000 ] - [ -0.0010023300000000, -0.0017030500000000, 0.0040312500000000 ] - [ -0.0009706500000000, -0.0043370200000000, 0.0033811600000000 ] - [ -0.0008932700000000, -0.0025308900000000, 0.0035654900000000 ] - [ -0.0002428400000000, 0.0005545800000000, -0.0111757300000000 ] - [ -0.0005298600000000, -0.0064962800000000, 0.0123796900000000 ] - [ -0.0005076500000000, 0.0006690100000000, -0.0115777600000000 ] - [ -0.0010515500000000, 0.0017054000000000, -0.0115927800000000 ] - [ -0.0011124300000000, 0.0023519700000000, -0.0107730900000000 ] - [ 0.0026464700000000, 0.0015639300000000, -0.0083328100000000 ] - [ 0.0000241400000000, 0.0024920800000000, -0.0115524900000000 ] - [ 0.0009929600000000, 0.0029379200000000, -0.0109919200000000 ] - [ -0.0003407400000000, -0.0134400000000000, 0.0278941000000000 ] - [ 0.0023019300000000, -0.0131611800000000, 0.0298202900000000 ] - [ 0.0000357100000000, -0.0139316300000000, 0.0278626000000000 ] - [ -0.0004798500000000, -0.0146825500000000, 0.0284933300000000 ] - [ -0.0043229600000000, -0.0106960300000000, 0.0285166800000000 ] - [ 0.0003363700000000, -0.0109844100000000, 0.0272943300000000 ] - [ -0.0010702600000000, -0.0110133700000000, 0.0272426800000000 ] - [ -0.0007677200000000, -0.0111367500000000, 0.0270245200000000 ] - [ -0.0019340300000000, 0.0014548400000000, 0.0007740600000000 ] - [ -0.0015822900000000, 0.0011625800000000, -0.0001918100000000 ] - [ -0.0017639500000000, 0.0026238200000000, 0.0012096800000000 ] - [ -0.0015610000000000, 0.0031548800000000, 0.0013227800000000 ] - [ 0.0011049600000000, 0.0009204700000000, 0.0007187700000000 ] - [ 0.0010738500000000, 0.0014528100000000, -0.0008312900000000 ] - [ 0.0009028600000000, 0.0067531600000000, 0.0058073000000000 ] - [ 0.0010131600000000, 0.0022393700000000, -0.0003266200000000 ] - [ 0.0009103400000000, 0.0004830500000000, 0.0004432500000000 ] - [ 0.0012268800000000, -0.0014881400000000, 0.0063337100000000 ] - [ 0.0007838900000000, 0.0004209400000000, 0.0002261000000000 ] - [ 0.0004395200000000, -0.0034896600000000, 0.0034757000000000 ] - [ -0.0020132200000000, -0.0173856900000000, -0.0570742100000000 ] - [ -0.0009994000000000, -0.0219791900000000, -0.0610435200000000 ] - [ 0.0007931800000000, -0.0221138600000000, -0.0593852200000000 ] - [ -0.0019089400000000, -0.0220178700000000, -0.0609067200000000 ] - [ 0.0021432700000000, 0.0030560800000000, 0.0048425200000000 ] - [ 0.0010525300000000, 0.0030339000000000, 0.0040874100000000 ] - [ 0.0048730900000000, 0.0011817800000000, 0.0062791300000000 ] - [ -0.0002080000000000, 0.0043364000000000, 0.0044572600000000 ] - [ -0.0019582700000000, 0.0009982300000000, 0.0028834400000000 ] - [ -0.0010516200000000, 0.0017281100000000, 0.0034482800000000 ] - [ -0.0048465200000000, -0.0101631700000000, 0.0324154200000000 ] - [ -0.0008720600000000, 0.0022795700000000, 0.0035116800000000 ]- atom: 85 displacement: [ -0.0000055737063633, 0.0000000000000000, -0.0099999984466897 ] forces: - [ 0.0076199500000000, 0.0147377300000000, 0.0025134400000000 ] - [ 0.0020606800000000, 0.0066557000000000, 0.0037163500000000 ] - [ 0.0035784200000000, 0.0019832600000000, 0.0053470600000000 ] - [ 0.0016754300000000, 0.0053049800000000, 0.0045113600000000 ] - [ -0.0016733100000000, -0.0029334800000000, -0.0048860700000000 ] - [ 0.0007316500000000, -0.0080048000000000, -0.0044958100000000 ] - [ -0.0012803100000000, -0.0007745200000000, -0.0053525900000000 ] - [ 0.0001029900000000, 0.0064292800000000, -0.0045971100000000 ] - [ -0.0018557400000000, -0.0114584600000000, 0.0075308700000000 ] - [ 0.0027824200000000, -0.0078032900000000, 0.0058178800000000 ] - [ -0.0014954200000000, -0.0019142000000000, 0.0062012000000000 ] - [ 0.0026402600000000, -0.0050160600000000, 0.0052793300000000 ] - [ -0.0000003900000000, 0.0028511500000000, -0.0043491900000000 ] - [ -0.0083517800000000, 0.0069027300000000, 0.0005858600000000 ] - [ -0.0006827000000000, 0.0014381800000000, -0.0047812700000000 ] - [ -0.0039823500000000, -0.0011219600000000, -0.0043714300000000 ] - [ -0.0083058700000000, -0.0185270400000000, -0.0264091600000000 ] - [ -0.0133010400000000, -0.0179841700000000, -0.0362933800000000 ] - [ -0.0084110300000000, -0.0170663700000000, -0.0264787100000000 ] - [ -0.0114100600000000, -0.0206127800000000, -0.0370305200000000 ] - [ 0.0104617500000000, -0.0148944000000000, -0.0266673200000000 ] - [ 0.0098646700000000, -0.0172006100000000, -0.0278004200000000 ] - [ 0.0187992500000000, -0.0138098600000000, -0.0261666600000000 ] - [ 0.0001965500000000, -0.0139467500000000, -0.0286248800000000 ] - [ 0.0218410800000000, -0.0254098800000000, 0.0662235000000000 ] - [ -0.0012504300000000, 0.0208827700000000, -0.0285689900000000 ] - [ 0.0208254700000000, -0.0264144700000000, 0.0666728700000000 ] - [ 0.0197695000000000, -0.0312183800000000, 0.0630068300000000 ] - [ -0.0314181200000000, -0.0194942000000000, 0.0630014800000000 ] - [ -0.0024910300000000, -0.0276313000000000, 0.0652472600000000 ] - [ -0.0219739600000000, -0.0251121700000000, 0.0663515900000000 ] - [ -0.0228730800000000, -0.0240777600000000, 0.0678310700000000 ] - [ -0.0087798300000000, 0.0184787600000000, -0.0241948100000000 ] - [ -0.0113477000000000, 0.0245443700000000, -0.0075684000000000 ] - [ -0.0091942400000000, 0.0175763000000000, -0.0248993700000000 ] - [ -0.0095727300000000, 0.0160000900000000, -0.0220117300000000 ] - [ 0.0068043300000000, 0.0163368300000000, -0.0204700400000000 ] - [ 0.0120657100000000, 0.0164430500000000, -0.0184402200000000 ] - [ 0.0090581600000000, 0.0146363000000000, -0.0220984900000000 ] - [ 0.0092561300000000, 0.0144934800000000, -0.0215620200000000 ] - [ -0.0199198000000000, 0.0233758600000000, 0.0707147000000000 ] - [ -0.0229040300000000, 0.0220458200000000, 0.0687043400000000 ] - [ -0.0194956600000000, 0.0219411000000000, 0.0722053900000000 ] - [ -0.0258756300000000, 0.0223757100000000, 0.0703988200000000 ] - [ 0.0210910500000000, 0.0257459100000000, 0.0672248100000000 ] - [ 0.0173969600000000, 0.0261269700000000, 0.0719869900000000 ] - [ 0.0208136600000000, 0.0262146000000000, 0.0676952900000000 ] - [ 0.0182603900000000, 0.0207964300000000, 0.0811347600000000 ] - [ 0.0032138300000000, -0.0010492800000000, 0.0000217800000000 ] - [ 0.0012869200000000, 0.0013335800000000, 0.0013936900000000 ] - [ 0.0016087300000000, -0.0014184200000000, 0.0006688600000000 ] - [ 0.0024096900000000, -0.0027566200000000, 0.0004578100000000 ] - [ 0.0036350600000000, 0.0340410300000000, -0.0606170200000000 ] - [ -0.0304322200000000, 0.0331641800000000, -0.0640726000000000 ] - [ 0.0017090700000000, 0.0355327100000000, -0.0606271800000000 ] - [ 0.0037372300000000, 0.0367884100000000, -0.0601618100000000 ] - [ 0.0028130400000000, 0.0035534400000000, -0.0040678200000000 ] - [ 0.0033704400000000, 0.0034031300000000, -0.0046292300000000 ] - [ 0.0023857300000000, 0.0039820600000000, -0.0032327000000000 ] - [ 0.0033050200000000, 0.0039359500000000, -0.0035073000000000 ] - [ 0.0013609100000000, -0.0350115700000000, -0.0611286700000000 ] - [ 0.0038517500000000, -0.0346751100000000, -0.0614375200000000 ] - [ 0.0010256100000000, -0.0350495500000000, -0.0613076200000000 ] - [ 0.0070867200000000, -0.0349517800000000, -0.0625248900000000 ] - [ -0.0010424700000000, -0.0006938400000000, -0.0113445500000000 ] - [ 0.0009714700000000, -0.0077244500000000, -0.0132692300000000 ] - [ -0.0008339700000000, -0.0005151400000000, -0.0115276500000000 ] - [ 0.0002193300000000, 0.0078032300000000, -0.0261189700000000 ] - [ -0.0023346900000000, -0.0046987200000000, -0.0109258100000000 ] - [ 0.0010564500000000, -0.0029872900000000, -0.0104686000000000 ] - [ -0.0011162700000000, -0.0012592100000000, -0.0124955700000000 ] - [ 0.0017030100000000, -0.0014659400000000, -0.0116003400000000 ] - [ -0.0009853200000000, 0.0139610300000000, 0.0280074000000000 ] - [ 0.0008739300000000, 0.0145807900000000, 0.0288228100000000 ] - [ -0.0025794800000000, 0.0133860500000000, 0.0276337700000000 ] - [ 0.0193307400000000, 0.0179749900000000, 0.0268032500000000 ] - [ 0.0001345700000000, 0.0087764400000000, 0.0284496800000000 ] - [ -0.0021363900000000, 0.0113423600000000, 0.0272156600000000 ] - [ -0.0133581600000000, 0.0203949900000000, 0.0268129600000000 ] - [ 0.0002506400000000, 0.0112655600000000, 0.0267534600000000 ] - [ -0.0036072800000000, -0.0029199000000000, 0.0043972200000000 ] - [ -0.0033543400000000, -0.0058243900000000, 0.0053024800000000 ] - [ -0.0018864500000000, -0.0011677200000000, 0.0000729300000000 ] - [ -0.0015632400000000, -0.0006391000000000, -0.0006284700000000 ] - [ 0.0307675200000000, -0.0957689700000000, 0.1731948500000000 ] - [ 0.0003781200000000, -0.0027445400000000, -0.0000368000000000 ] - [ 0.0013135500000000, -0.0003644000000000, -0.0003400700000000 ] - [ 0.0006708900000000, -0.0013184200000000, -0.0011977700000000 ] - [ 0.0004041000000000, -0.0001237900000000, 0.0003108600000000 ] - [ 0.0000531400000000, 0.0126591300000000, 0.0100239100000000 ] - [ 0.0005180600000000, -0.0006115500000000, 0.0001821600000000 ] - [ 0.0023771700000000, 0.0023133200000000, 0.0125120700000000 ] - [ 0.0146483400000000, 0.0295743300000000, -0.0676261000000000 ] - [ -0.0055534000000000, 0.0225603000000000, -0.0614243900000000 ] - [ -0.0013503800000000, 0.0217617600000000, -0.0598253100000000 ] - [ -0.0015366200000000, 0.0216873300000000, -0.0607066100000000 ] - [ 0.0025379100000000, -0.0043330200000000, 0.0043667400000000 ] - [ -0.0008084200000000, -0.0054303200000000, 0.0028781200000000 ] - [ 0.0020325100000000, -0.0023564800000000, 0.0052325700000000 ] - [ 0.0010021700000000, -0.0027995200000000, 0.0045477100000000 ] - [ -0.0006234200000000, -0.0113667300000000, -0.0131570100000000 ] - [ -0.0014769500000000, -0.0023110900000000, 0.0033059400000000 ] - [ -0.0015116700000000, 0.0003443200000000, 0.0039761600000000 ] - [ -0.0015865800000000, -0.0014773600000000, 0.0037743400000000 ] - [ -0.0010789000000000, 0.0003984100000000, -0.0120753700000000 ] - [ -0.0007953000000000, 0.0075402500000000, -0.0359191100000000 ] - [ -0.0008113400000000, 0.0002837000000000, -0.0116726600000000 ] - [ -0.0002652500000000, -0.0007564800000000, -0.0116464300000000 ] - [ 0.0019194900000000, 0.0016733900000000, -0.0121536000000000 ] - [ -0.0018594400000000, 0.0024678700000000, -0.0146193600000000 ] - [ 0.0007787300000000, 0.0015338600000000, -0.0113734400000000 ] - [ -0.0001945800000000, 0.0010842500000000, -0.0119374900000000 ] - [ -0.0001598000000000, -0.0141646600000000, 0.0273950500000000 ] - [ -0.0028306200000000, -0.0144446900000000, 0.0254589000000000 ] - [ -0.0005390600000000, -0.0136690200000000, 0.0274256300000000 ] - [ -0.0000227800000000, -0.0129143100000000, 0.0267929700000000 ] - [ 0.0025164200000000, -0.0118462200000000, 0.0250086300000000 ] - [ -0.0021812100000000, -0.0115574400000000, 0.0262350900000000 ] - [ -0.0007656400000000, -0.0115283900000000, 0.0262883600000000 ] - [ -0.0010681900000000, -0.0114045300000000, 0.0265062800000000 ] - [ -0.0009335100000000, 0.0016084600000000, -0.0019038900000000 ] - [ -0.0012885900000000, 0.0018988400000000, -0.0009366000000000 ] - [ -0.0011036700000000, 0.0004264100000000, -0.0023456900000000 ] - [ -0.0013108300000000, -0.0001073000000000, -0.0024618600000000 ] - [ 0.0004800400000000, 0.0022245400000000, -0.0031044600000000 ] - [ 0.0005125500000000, 0.0016838900000000, -0.0015526100000000 ] - [ 0.0006837000000000, -0.0036514300000000, -0.0082239400000000 ] - [ 0.0005730800000000, 0.0008914400000000, -0.0020613400000000 ] - [ 0.0003177500000000, 0.0009877100000000, -0.0008715700000000 ] - [ -0.0000063000000000, 0.0029796400000000, -0.0068041600000000 ] - [ 0.0004443900000000, 0.0010501900000000, -0.0006544800000000 ] - [ 0.0007857500000000, 0.0049432200000000, -0.0039193200000000 ] - [ -0.0006967900000000, -0.0259403800000000, -0.0648871400000000 ] - [ -0.0017075500000000, -0.0213605500000000, -0.0609278200000000 ] - [ -0.0035003200000000, -0.0212390300000000, -0.0626026500000000 ] - [ -0.0007951300000000, -0.0213235300000000, -0.0610669700000000 ] - [ 0.0002924000000000, 0.0046094100000000, 0.0046319800000000 ] - [ 0.0013936600000000, 0.0046272400000000, 0.0053949900000000 ] - [ -0.0024216200000000, 0.0064511800000000, 0.0031956900000000 ] - [ 0.0026593900000000, 0.0033118600000000, 0.0050166000000000 ] - [ -0.0005140500000000, 0.0030365700000000, 0.0044529700000000 ] - [ -0.0014254600000000, 0.0022879300000000, 0.0038881800000000 ] - [ 0.0023090100000000, 0.0139799200000000, -0.0246887900000000 ] - [ -0.0016062900000000, 0.0017310800000000, 0.0038233100000000 ]- atom: 89 displacement: [ 0.0099999993466229, 0.0000000000000000, -0.0000036149054082 ] forces: - [ 0.0007516900000000, 0.0060081500000000, 0.0053056900000000 ] - [ 0.0016974600000000, 0.0088537600000000, 0.0027868800000000 ] - [ 0.0008852600000000, 0.0065938300000000, 0.0050644300000000 ] - [ 0.0015464100000000, 0.0044992100000000, 0.0044188500000000 ] - [ 0.0016659000000000, 0.0004885100000000, -0.0042297500000000 ] - [ -0.0025853700000000, -0.0026708100000000, -0.0043689800000000 ] - [ -0.0004260800000000, -0.0029386400000000, -0.0055414900000000 ] - [ -0.0021547000000000, -0.0017480100000000, -0.0047798400000000 ] - [ 0.0001584500000000, -0.0060977700000000, 0.0041626900000000 ] - [ 0.0016075200000000, -0.0080181200000000, 0.0086062200000000 ] - [ 0.0006874200000000, -0.0064900200000000, 0.0046250500000000 ] - [ 0.0022466500000000, -0.0054074500000000, 0.0050163300000000 ] - [ -0.0003407500000000, 0.0017875500000000, -0.0043890300000000 ] - [ -0.0023222000000000, 0.0024721200000000, -0.0050801600000000 ] - [ -0.0000949200000000, 0.0023918200000000, -0.0041923200000000 ] - [ -0.0022328200000000, 0.0017485400000000, -0.0051141300000000 ] - [ 0.0137915900000000, -0.0033950100000000, -0.0015254500000000 ] - [ -0.0126857000000000, -0.0172575300000000, -0.0254833400000000 ] - [ -0.0076799700000000, -0.0169525600000000, -0.0256382400000000 ] - [ -0.0109160000000000, -0.0175181500000000, -0.0254995900000000 ] - [ 0.0062331700000000, -0.0152084100000000, -0.0218046800000000 ] - [ 0.0015289500000000, -0.0172881400000000, -0.0235415300000000 ] - [ 0.0093484900000000, -0.0157950000000000, -0.0223732500000000 ] - [ 0.0089126200000000, -0.0144768500000000, -0.0238242200000000 ] - [ 0.0408817800000000, -0.0413909200000000, 0.0627972300000000 ] - [ 0.0162569500000000, -0.0269548300000000, 0.0671218500000000 ] - [ 0.0243989200000000, -0.0258872100000000, 0.0693409700000000 ] - [ 0.0182982400000000, -0.0263829300000000, 0.0670695300000000 ] - [ -0.0266769200000000, -0.0239652600000000, 0.0677247900000000 ] - [ -0.0288021800000000, -0.0201334400000000, 0.0684879400000000 ] - [ -0.0230538800000000, -0.0215139100000000, 0.0683948300000000 ] - [ -0.0227204700000000, -0.0237629600000000, 0.0691901400000000 ] - [ -0.0075505100000000, 0.0174601200000000, -0.0257950900000000 ] - [ -0.0111025800000000, 0.0175405400000000, -0.0255452300000000 ] - [ -0.0070132300000000, 0.0179336600000000, -0.0262886300000000 ] - [ -0.0108706500000000, 0.0175525400000000, -0.0256072600000000 ] - [ 0.0092495800000000, 0.0143654800000000, -0.0255011800000000 ] - [ 0.0090321900000000, 0.0156156900000000, -0.0227135100000000 ] - [ 0.0082422100000000, 0.0159194500000000, -0.0249553200000000 ] - [ 0.0094104100000000, 0.0148162500000000, -0.0234429900000000 ] - [ -0.0217247700000000, 0.0230924300000000, 0.0687677900000000 ] - [ -0.0233309700000000, 0.0230977700000000, 0.0670164100000000 ] - [ -0.0220722000000000, 0.0233377800000000, 0.0680377400000000 ] - [ -0.0226176300000000, 0.0231496400000000, 0.0681131400000000 ] - [ 0.0222589200000000, 0.0272923300000000, 0.0645755800000000 ] - [ 0.0185162300000000, 0.0263755400000000, 0.0669136100000000 ] - [ 0.0212017600000000, 0.0262473900000000, 0.0665658600000000 ] - [ 0.0189997600000000, 0.0263152100000000, 0.0669336500000000 ] - [ 0.0072317900000000, -0.0012305700000000, -0.0036920000000000 ] - [ 0.0045251600000000, -0.0029952300000000, -0.0033012800000000 ] - [ 0.0028347400000000, -0.0031072000000000, -0.0025535600000000 ] - [ 0.0028013900000000, -0.0028474500000000, -0.0021920500000000 ] - [ 0.0035494300000000, 0.0433286100000000, -0.0583501700000000 ] - [ 0.0057768600000000, 0.0347106800000000, -0.0610685700000000 ] - [ 0.0010319600000000, 0.0320429900000000, -0.0614126800000000 ] - [ 0.0036291900000000, 0.0353479700000000, -0.0608994900000000 ] - [ 0.0024891900000000, 0.0025542600000000, -0.0015742300000000 ] - [ 0.0029042200000000, 0.0026354300000000, -0.0020542700000000 ] - [ 0.0026980900000000, 0.0022634400000000, -0.0014728000000000 ] - [ 0.0027331800000000, 0.0028451700000000, -0.0020053200000000 ] - [ 0.0006386500000000, -0.0348450900000000, -0.0607937200000000 ] - [ 0.0037906600000000, -0.0351765400000000, -0.0607303300000000 ] - [ 0.0015788000000000, -0.0350816500000000, -0.0608585900000000 ] - [ 0.0032642500000000, -0.0352549200000000, -0.0608181000000000 ] - [ -0.0031681200000000, -0.0023446400000000, -0.0108078200000000 ] - [ -0.0001747000000000, -0.0004636500000000, -0.0117136400000000 ] - [ -0.0011220600000000, -0.0005418000000000, -0.0112140600000000 ] - [ -0.0003264400000000, -0.0004279600000000, -0.0116854200000000 ] - [ 0.0005798700000000, -0.0013758000000000, -0.0125385100000000 ] - [ 0.0013373300000000, -0.0025952800000000, -0.0104810700000000 ] - [ 0.0004036600000000, -0.0019352600000000, -0.0117274900000000 ] - [ 0.0005508300000000, -0.0019508300000000, -0.0112709500000000 ] - [ -0.0004717000000000, 0.0106077500000000, 0.0229514700000000 ] - [ 0.0020714300000000, 0.0140960700000000, 0.0278539600000000 ] - [ -0.0013599400000000, 0.0139637900000000, 0.0274167000000000 ] - [ 0.0004789200000000, 0.0136382600000000, 0.0276528600000000 ] - [ 0.0017222600000000, 0.0114702600000000, 0.0266842600000000 ] - [ 0.0125092600000000, 0.0147445400000000, 0.0366845600000000 ] - [ -0.0000693800000000, 0.0112564500000000, 0.0266900100000000 ] - [ -0.0014040800000000, 0.0113003500000000, 0.0267574700000000 ] - [ -0.0010409900000000, -0.0006789200000000, -0.0016658600000000 ] - [ -0.0010174900000000, -0.0025346400000000, -0.0000120000000000 ] - [ -0.0010878200000000, -0.0022674500000000, -0.0004506400000000 ] - [ -0.0009714200000000, -0.0002365400000000, -0.0013988500000000 ] - [ 0.0012536800000000, -0.0015345700000000, -0.0009812900000000 ] - [ -0.0005113900000000, -0.0048056700000000, -0.0006295000000000 ] - [ 0.0012162500000000, -0.0015520800000000, -0.0010967400000000 ] - [ -0.0005699800000000, 0.0027505900000000, -0.0029178400000000 ] - [ -0.0638543900000000, -0.0011853400000000, -0.0274280900000000 ] - [ 0.0013399200000000, -0.0006919600000000, 0.0000299600000000 ] - [ -0.0000224100000000, -0.0009131700000000, -0.0008070400000000 ] - [ 0.0008948800000000, -0.0008055200000000, -0.0001331200000000 ] - [ 0.0018550500000000, 0.0216629600000000, -0.0607542000000000 ] - [ 0.0100956200000000, 0.0144890900000000, -0.0666718900000000 ] - [ -0.0001608700000000, 0.0215378900000000, -0.0610022200000000 ] - [ -0.0023628400000000, 0.0215148300000000, -0.0610880500000000 ] - [ 0.0020039200000000, -0.0026709700000000, 0.0062107400000000 ] - [ 0.0018598100000000, -0.0048987900000000, 0.0038887000000000 ] - [ 0.0029458400000000, -0.0052949900000000, 0.0047438400000000 ] - [ 0.0014596200000000, -0.0033840400000000, 0.0045548600000000 ] - [ -0.0005769900000000, -0.0021209200000000, 0.0035095600000000 ] - [ -0.0008643700000000, -0.0037088700000000, 0.0017986500000000 ] - [ -0.0007161900000000, -0.0021459300000000, 0.0035697700000000 ] - [ -0.0034093000000000, -0.0015918000000000, 0.0032873100000000 ] - [ -0.0039020800000000, 0.0012866700000000, -0.0119540600000000 ] - [ -0.0000649600000000, 0.0004746600000000, -0.0117121100000000 ] - [ -0.0014058300000000, 0.0006070600000000, -0.0116290500000000 ] - [ -0.0002449500000000, 0.0004376900000000, -0.0116949100000000 ] - [ 0.0018136200000000, 0.0036689400000000, -0.0101579600000000 ] - [ 0.0009815900000000, 0.0019128500000000, -0.0122019900000000 ] - [ 0.0007374500000000, 0.0019374400000000, -0.0111839500000000 ] - [ 0.0004236600000000, 0.0019941000000000, -0.0115922200000000 ] - [ -0.0013395300000000, -0.0139910400000000, 0.0279867700000000 ] - [ 0.0005734600000000, -0.0137578700000000, 0.0275144700000000 ] - [ -0.0014376000000000, -0.0163673500000000, 0.0296783500000000 ] - [ 0.0002989400000000, -0.0135702300000000, 0.0275175600000000 ] - [ 0.0001048800000000, -0.0110720900000000, 0.0269819800000000 ] - [ -0.0017628000000000, -0.0115256000000000, 0.0264153800000000 ] - [ 0.0000493400000000, -0.0112487600000000, 0.0268818100000000 ] - [ -0.0018365400000000, -0.0113888800000000, 0.0268065800000000 ] - [ -0.0013502600000000, 0.0015870900000000, -0.0002052400000000 ] - [ -0.0013206600000000, 0.0018783900000000, -0.0004938200000000 ] - [ -0.0013582100000000, 0.0018462400000000, -0.0002366000000000 ] - [ -0.0014670900000000, 0.0013094100000000, -0.0007456900000000 ] - [ 0.0011315000000000, 0.0016055800000000, -0.0008969700000000 ] - [ 0.0003458900000000, 0.0021410600000000, -0.0005885400000000 ] - [ 0.0010687800000000, 0.0015614800000000, -0.0010237500000000 ] - [ 0.0004880100000000, 0.0015120600000000, -0.0013600700000000 ] - [ 0.0002381200000000, 0.0003454800000000, 0.0000292800000000 ] - [ 0.0008934600000000, 0.0006903100000000, -0.0000508900000000 ] - [ 0.0002439700000000, 0.0005336700000000, 0.0001059100000000 ] - [ 0.0008526200000000, 0.0007230200000000, -0.0000390300000000 ] - [ -0.0006333700000000, -0.0218334200000000, -0.0611581500000000 ] - [ -0.0018370600000000, -0.0215277400000000, -0.0602146800000000 ] - [ -0.0008120900000000, -0.0218356500000000, -0.0610284600000000 ] - [ -0.0017604300000000, -0.0214185300000000, -0.0607133800000000 ] - [ 0.0015761000000000, 0.0034946200000000, 0.0036746500000000 ] - [ 0.0021817800000000, 0.0043042500000000, 0.0058700600000000 ] - [ 0.0011623800000000, 0.0038656400000000, 0.0045220700000000 ] - [ 0.0015730300000000, 0.0033788000000000, 0.0049980500000000 ] - [ -0.0007258400000000, 0.0020879100000000, 0.0035425000000000 ] - [ -0.0004135200000000, 0.0034687100000000, 0.0089524900000000 ] - [ -0.0008742900000000, 0.0020980400000000, 0.0035892800000000 ] - [ -0.0018183200000000, 0.0015192700000000, 0.0039811100000000 ]- atom: 89 displacement: [ -0.0099999993466229, 0.0000000000000000, 0.0000036149054082 ] forces: - [ 0.0026948700000000, 0.0064980200000000, 0.0044060400000000 ] - [ 0.0017731300000000, 0.0036563200000000, 0.0069182400000000 ] - [ 0.0025632000000000, 0.0059090900000000, 0.0046492900000000 ] - [ 0.0019262600000000, 0.0080194600000000, 0.0052912800000000 ] - [ -0.0048314000000000, -0.0046017000000000, -0.0057208500000000 ] - [ -0.0004643200000000, -0.0015029000000000, -0.0054298100000000 ] - [ -0.0026463500000000, -0.0012393500000000, -0.0042555700000000 ] - [ -0.0008937500000000, -0.0024184500000000, -0.0050215900000000 ] - [ 0.0032971000000000, -0.0064100500000000, 0.0055564800000000 ] - [ 0.0018431300000000, -0.0044909700000000, 0.0011352900000000 ] - [ 0.0027617800000000, -0.0060124600000000, 0.0050900300000000 ] - [ 0.0012214300000000, -0.0071085300000000, 0.0046989100000000 ] - [ -0.0027272600000000, 0.0023751100000000, -0.0054100400000000 ] - [ -0.0007284800000000, 0.0017006200000000, -0.0047228200000000 ] - [ -0.0029811400000000, 0.0017929600000000, -0.0056020100000000 ] - [ -0.0008155800000000, 0.0024209200000000, -0.0046879700000000 ] - [ -0.0335013500000000, -0.0322859800000000, -0.0497687400000000 ] - [ -0.0066038600000000, -0.0182660400000000, -0.0255069300000000 ] - [ -0.0116246400000000, -0.0185844800000000, -0.0253485100000000 ] - [ -0.0083795100000000, -0.0180005500000000, -0.0254918500000000 ] - [ 0.0124103800000000, -0.0151242500000000, -0.0252877800000000 ] - [ 0.0171116500000000, -0.0130568000000000, -0.0235411800000000 ] - [ 0.0093205200000000, -0.0145413400000000, -0.0247280900000000 ] - [ 0.0097734300000000, -0.0158574500000000, -0.0232728700000000 ] - [ -0.0010628400000000, -0.0107372500000000, 0.0711839600000000 ] - [ 0.0237831900000000, -0.0253775200000000, 0.0668508800000000 ] - [ 0.0156174700000000, -0.0264660100000000, 0.0646068500000000 ] - [ 0.0217440000000000, -0.0259546700000000, 0.0669015500000000 ] - [ -0.0179443100000000, -0.0220408300000000, 0.0688462200000000 ] - [ -0.0158445600000000, -0.0258613100000000, 0.0680816900000000 ] - [ -0.0215570000000000, -0.0245134900000000, 0.0681706500000000 ] - [ -0.0218835800000000, -0.0222559400000000, 0.0673793600000000 ] - [ -0.0117477600000000, 0.0180719900000000, -0.0252103300000000 ] - [ -0.0081918700000000, 0.0179820300000000, -0.0254372200000000 ] - [ -0.0123015000000000, 0.0175855400000000, -0.0246816400000000 ] - [ -0.0084232400000000, 0.0179690500000000, -0.0253792200000000 ] - [ 0.0094162600000000, 0.0159849000000000, -0.0215716200000000 ] - [ 0.0096546900000000, 0.0147245800000000, -0.0243694100000000 ] - [ 0.0104419400000000, 0.0144117800000000, -0.0221217700000000 ] - [ 0.0092710900000000, 0.0155223000000000, -0.0236461000000000 ] - [ -0.0229052800000000, 0.0229180600000000, 0.0678030200000000 ] - [ -0.0212618600000000, 0.0229194300000000, 0.0695515900000000 ] - [ -0.0225460400000000, 0.0226738100000000, 0.0685355500000000 ] - [ -0.0219818800000000, 0.0228655900000000, 0.0684585300000000 ] - [ 0.0177699700000000, 0.0250126700000000, 0.0694582900000000 ] - [ 0.0215212000000000, 0.0259619600000000, 0.0670561400000000 ] - [ 0.0188312500000000, 0.0260871400000000, 0.0674030000000000 ] - [ 0.0210396500000000, 0.0260217100000000, 0.0670376800000000 ] - [ -0.0019621200000000, -0.0043286500000000, -0.0004248800000000 ] - [ 0.0008523300000000, -0.0025434100000000, -0.0008369200000000 ] - [ 0.0025415800000000, -0.0024266300000000, -0.0015752900000000 ] - [ 0.0025712000000000, -0.0026907800000000, -0.0019366300000000 ] - [ 0.0015133600000000, 0.0268413100000000, -0.0634423000000000 ] - [ -0.0007005200000000, 0.0354997100000000, -0.0607170900000000 ] - [ 0.0040485800000000, 0.0381992600000000, -0.0603599700000000 ] - [ 0.0014353700000000, 0.0348715000000000, -0.0608806600000000 ] - [ 0.0028908500000000, 0.0029877600000000, -0.0025651300000000 ] - [ 0.0024680400000000, 0.0029048200000000, -0.0020783600000000 ] - [ 0.0026806700000000, 0.0032786200000000, -0.0026690100000000 ] - [ 0.0026396600000000, 0.0026949800000000, -0.0021268600000000 ] - [ 0.0044560300000000, -0.0353718100000000, -0.0609922200000000 ] - [ 0.0012732100000000, -0.0350427400000000, -0.0610490300000000 ] - [ 0.0034999800000000, -0.0351349400000000, -0.0609222200000000 ] - [ 0.0017995100000000, -0.0349640900000000, -0.0609620900000000 ] - [ 0.0018504500000000, 0.0014266900000000, -0.0124973300000000 ] - [ -0.0011434500000000, -0.0004860000000000, -0.0115364900000000 ] - [ -0.0001954400000000, -0.0004102200000000, -0.0120381400000000 ] - [ -0.0009913500000000, -0.0005215800000000, -0.0115660400000000 ] - [ 0.0002261500000000, -0.0026511400000000, -0.0103877800000000 ] - [ -0.0005360600000000, -0.0014321700000000, -0.0124476700000000 ] - [ 0.0004013800000000, -0.0020904900000000, -0.0112032200000000 ] - [ 0.0002448500000000, -0.0020733800000000, -0.0116616500000000 ] - [ -0.0000110300000000, 0.0169829200000000, 0.0323326500000000 ] - [ -0.0025737900000000, 0.0135024100000000, 0.0274329000000000 ] - [ 0.0008671400000000, 0.0136350200000000, 0.0278713300000000 ] - [ -0.0009845300000000, 0.0139578100000000, 0.0276340000000000 ] - [ -0.0035706200000000, 0.0110682300000000, 0.0268459000000000 ] - [ -0.0141669000000000, 0.0078520900000000, 0.0170174100000000 ] - [ -0.0017662000000000, 0.0112845400000000, 0.0268426000000000 ] - [ -0.0004421700000000, 0.0112416600000000, 0.0267740400000000 ] - [ -0.0018269400000000, -0.0023862100000000, 0.0005440300000000 ] - [ -0.0018544700000000, -0.0005312300000000, -0.0011091700000000 ] - [ -0.0017800800000000, -0.0007894600000000, -0.0006779000000000 ] - [ -0.0019013600000000, -0.0028183400000000, 0.0002704500000000 ] - [ 0.0003307600000000, -0.0016047400000000, -0.0014009400000000 ] - [ 0.0020833000000000, 0.0016865300000000, -0.0017723600000000 ] - [ 0.0003681400000000, -0.0015830700000000, -0.0012894100000000 ] - [ 0.0021450600000000, -0.0059201900000000, 0.0005720700000000 ] - [ 0.0656997200000000, -0.0002824900000000, 0.0273645800000000 ] - [ -0.0001107900000000, -0.0007764200000000, -0.0004535800000000 ] - [ 0.0012557500000000, -0.0005504300000000, 0.0003879800000000 ] - [ 0.0003349800000000, -0.0006650300000000, -0.0002890000000000 ] - [ -0.0045733900000000, 0.0216724200000000, -0.0612182900000000 ] - [ -0.0125924900000000, 0.0287072700000000, -0.0554089700000000 ] - [ -0.0025468700000000, 0.0218004400000000, -0.0609656800000000 ] - [ -0.0003439500000000, 0.0218261100000000, -0.0608807200000000 ] - [ 0.0004417200000000, -0.0049897500000000, 0.0032569100000000 ] - [ 0.0005860100000000, -0.0027626800000000, 0.0055813500000000 ] - [ -0.0005128700000000, -0.0023426800000000, 0.0047377300000000 ] - [ 0.0009856200000000, -0.0042632300000000, 0.0049238100000000 ] - [ -0.0019028500000000, -0.0018913900000000, 0.0038204700000000 ] - [ -0.0016117000000000, -0.0002409300000000, 0.0056312300000000 ] - [ -0.0017641400000000, -0.0018619000000000, 0.0037645300000000 ] - [ 0.0009396200000000, -0.0024039700000000, 0.0040452500000000 ] - [ 0.0025868200000000, -0.0003400700000000, -0.0112477100000000 ] - [ -0.0012537700000000, 0.0004740300000000, -0.0115424800000000 ] - [ 0.0000901100000000, 0.0003474600000000, -0.0116219100000000 ] - [ -0.0010734400000000, 0.0005100700000000, -0.0115582100000000 ] - [ -0.0010258600000000, 0.0003351200000000, -0.0127860600000000 ] - [ -0.0001795300000000, 0.0021092200000000, -0.0107366000000000 ] - [ 0.0000645300000000, 0.0020877300000000, -0.0117501300000000 ] - [ 0.0003738400000000, 0.0020290600000000, -0.0113419500000000 ] - [ 0.0008517700000000, -0.0136075700000000, 0.0272993600000000 ] - [ -0.0010791900000000, -0.0138392300000000, 0.0277695800000000 ] - [ 0.0009456100000000, -0.0111987000000000, 0.0255814900000000 ] - [ -0.0008042600000000, -0.0140267800000000, 0.0277674700000000 ] - [ -0.0019416900000000, -0.0114710900000000, 0.0265466900000000 ] - [ -0.0000877900000000, -0.0110197600000000, 0.0271136800000000 ] - [ -0.0018882900000000, -0.0112923800000000, 0.0266483100000000 ] - [ -0.0000018200000000, -0.0111514000000000, 0.0267235500000000 ] - [ -0.0015178800000000, 0.0014715500000000, -0.0009304300000000 ] - [ -0.0015504300000000, 0.0011817400000000, -0.0006369800000000 ] - [ -0.0015097900000000, 0.0012104500000000, -0.0008967500000000 ] - [ -0.0014055100000000, 0.0017488400000000, -0.0003840200000000 ] - [ 0.0004523900000000, 0.0015310900000000, -0.0014898700000000 ] - [ 0.0012362600000000, 0.0009853400000000, -0.0018189700000000 ] - [ 0.0005156200000000, 0.0015740500000000, -0.0013640000000000 ] - [ 0.0010952900000000, 0.0016325000000000, -0.0010128700000000 ] - [ 0.0009946200000000, 0.0011318400000000, -0.0004557700000000 ] - [ 0.0003363700000000, 0.0007808300000000, -0.0003740500000000 ] - [ 0.0009871300000000, 0.0009374400000000, -0.0005401100000000 ] - [ 0.0003772800000000, 0.0007476500000000, -0.0003852400000000 ] - [ -0.0020681800000000, -0.0215038400000000, -0.0608095400000000 ] - [ -0.0008855200000000, -0.0218085000000000, -0.0617559000000000 ] - [ -0.0018914800000000, -0.0215017600000000, -0.0609399500000000 ] - [ -0.0009508000000000, -0.0219223600000000, -0.0612572100000000 ] - [ 0.0008721400000000, 0.0041583100000000, 0.0058155700000000 ] - [ 0.0002619300000000, 0.0033509100000000, 0.0036175100000000 ] - [ 0.0012866900000000, 0.0037833200000000, 0.0049602900000000 ] - [ 0.0008685200000000, 0.0042709800000000, 0.0044822900000000 ] - [ -0.0017541500000000, 0.0019218400000000, 0.0037951800000000 ] - [ -0.0020645200000000, 0.0005011700000000, -0.0017476500000000 ] - [ -0.0016051700000000, 0.0019112300000000, 0.0037466500000000 ] - [ -0.0006609900000000, 0.0024930300000000, 0.0033519300000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0016866700000000, 0.0072950500000000, 0.0055816500000000 ] - [ 0.0027290300000000, 0.0114713400000000, 0.0071666100000000 ] - [ 0.0023757800000000, 0.0053145600000000, 0.0047013000000000 ] - [ -0.0020236600000000, 0.0012269300000000, 0.0035096400000000 ] - [ -0.0013545300000000, 0.0053576400000000, -0.0053110900000000 ] - [ -0.0015096500000000, -0.0014059000000000, -0.0046534500000000 ] - [ -0.0042798800000000, -0.0098984200000000, -0.0057150600000000 ] - [ -0.0011972000000000, -0.0030786100000000, -0.0048956600000000 ] - [ 0.0020958700000000, -0.0046161500000000, 0.0042447900000000 ] - [ 0.0011958600000000, -0.0003539100000000, 0.0039898100000000 ] - [ 0.0009764200000000, -0.0079049000000000, 0.0046696600000000 ] - [ 0.0055046600000000, -0.0119191000000000, 0.0042299000000000 ] - [ -0.0010804900000000, 0.0044671400000000, -0.0043724200000000 ] - [ -0.0016725900000000, 0.0025216200000000, -0.0050091600000000 ] - [ 0.0011417500000000, -0.0024920500000000, -0.0079117300000000 ] - [ -0.0018998700000000, 0.0015494900000000, -0.0050943600000000 ] - [ 0.0013266700000000, 0.0258319700000000, 0.0148917500000000 ] - [ -0.0092977800000000, -0.0172349700000000, -0.0248401800000000 ] - [ -0.0114622200000000, -0.0300988300000000, -0.0190983700000000 ] - [ -0.0098044600000000, -0.0184577500000000, -0.0250543000000000 ] - [ 0.0192194500000000, -0.0087895500000000, -0.0189900400000000 ] - [ 0.0003921500000000, -0.0156124000000000, -0.0215669400000000 ] - [ 0.0080993600000000, -0.0183755800000000, -0.0222961700000000 ] - [ 0.0106864700000000, -0.0163717900000000, -0.0228180800000000 ] - [ 0.0136009100000000, 0.0216175600000000, 0.0633467100000000 ] - [ 0.0189140600000000, -0.0261958100000000, 0.0673636900000000 ] - [ 0.0217866800000000, -0.0372500300000000, 0.0754268600000000 ] - [ 0.0204619100000000, -0.0264228900000000, 0.0671797300000000 ] - [ -0.0393043300000000, -0.0123085700000000, 0.0701899600000000 ] - [ -0.0135311200000000, -0.0222279800000000, 0.0706653800000000 ] - [ -0.0178328200000000, -0.0269134900000000, 0.0685250600000000 ] - [ -0.0240070500000000, -0.0242542300000000, 0.0694709900000000 ] - [ -0.0106617000000000, 0.0217545000000000, -0.0385234700000000 ] - [ -0.0097589100000000, 0.0178007600000000, -0.0264117800000000 ] - [ -0.0101611300000000, 0.0145008900000000, -0.0242957700000000 ] - [ -0.0094193000000000, 0.0176276100000000, -0.0256493700000000 ] - [ 0.0073392700000000, 0.0166112400000000, -0.0270671700000000 ] - [ 0.0115302000000000, 0.0151141400000000, -0.0257337000000000 ] - [ 0.0105358900000000, 0.0140704900000000, -0.0235645900000000 ] - [ 0.0087074900000000, 0.0148742600000000, -0.0238795000000000 ] - [ -0.0198649700000000, 0.0254887400000000, 0.0667086700000000 ] - [ -0.0241927200000000, 0.0242423100000000, 0.0663187600000000 ] - [ -0.0225014300000000, 0.0216118800000000, 0.0681236600000000 ] - [ -0.0223110600000000, 0.0221625500000000, 0.0676131100000000 ] - [ 0.0213074800000000, 0.0338241300000000, 0.0571916300000000 ] - [ 0.0201555700000000, 0.0265761600000000, 0.0665212400000000 ] - [ 0.0192463200000000, 0.0231815100000000, 0.0655697800000000 ] - [ 0.0200282700000000, 0.0258436300000000, 0.0668117900000000 ] - [ 0.0015239400000000, -0.0098151500000000, -0.0054860000000000 ] - [ 0.0030068800000000, -0.0061061400000000, -0.0055261000000000 ] - [ 0.0032475800000000, 0.0003778600000000, -0.0018020200000000 ] - [ 0.0027595500000000, -0.0018525600000000, -0.0017780100000000 ] - [ 0.0307576000000000, 0.0486887900000000, -0.0553996900000000 ] - [ 0.0011927300000000, 0.0354883600000000, -0.0606604200000000 ] - [ -0.0019626600000000, 0.0387963200000000, -0.0620149600000000 ] - [ 0.0027824000000000, 0.0351012800000000, -0.0610860000000000 ] - [ 0.0025282300000000, 0.0007707500000000, -0.0000998300000000 ] - [ 0.0025715900000000, 0.0014374400000000, -0.0005340400000000 ] - [ 0.0019999000000000, 0.0038686700000000, -0.0017925500000000 ] - [ 0.0027386200000000, 0.0031235900000000, -0.0020668700000000 ] - [ -0.0001796000000000, -0.0362056500000000, -0.0595532600000000 ] - [ 0.0029560200000000, -0.0352492900000000, -0.0606601600000000 ] - [ 0.0032029400000000, -0.0349108000000000, -0.0607198800000000 ] - [ 0.0025876000000000, -0.0350515000000000, -0.0608149500000000 ] - [ -0.0023640400000000, -0.0111859100000000, -0.0071995600000000 ] - [ -0.0007242000000000, -0.0006967100000000, -0.0115505700000000 ] - [ -0.0005636100000000, 0.0032923300000000, -0.0134196800000000 ] - [ -0.0006427300000000, -0.0001294500000000, -0.0118134300000000 ] - [ -0.0003616700000000, -0.0033062800000000, -0.0110460300000000 ] - [ 0.0014234200000000, -0.0028543200000000, -0.0107185700000000 ] - [ 0.0000722300000000, -0.0006794100000000, -0.0121188700000000 ] - [ 0.0007317800000000, -0.0010916100000000, -0.0117880100000000 ] - [ -0.0186323800000000, 0.0179541100000000, 0.0358439000000000 ] - [ 0.0007873300000000, 0.0139254200000000, 0.0277686500000000 ] - [ 0.0013787200000000, 0.0148539500000000, 0.0265705000000000 ] - [ -0.0003959800000000, 0.0139398700000000, 0.0274242400000000 ] - [ -0.0028821400000000, 0.0106908700000000, 0.0266609600000000 ] - [ 0.0144817200000000, 0.0059193500000000, 0.0294049800000000 ] - [ -0.0005958300000000, 0.0117198600000000, 0.0265371900000000 ] - [ -0.0026648700000000, 0.0134996200000000, 0.0258813100000000 ] - [ -0.0001025200000000, -0.0002314400000000, -0.0029684600000000 ] - [ -0.0021537600000000, -0.0008684400000000, -0.0017043400000000 ] - [ -0.0026291900000000, -0.0011749100000000, -0.0006482200000000 ] - [ -0.0001714000000000, -0.0008596500000000, -0.0015197000000000 ] - [ 0.0008772300000000, -0.0011643200000000, -0.0017999600000000 ] - [ -0.0028734500000000, 0.0142865300000000, -0.0144337100000000 ] - [ 0.0006279100000000, -0.0015060700000000, -0.0013135800000000 ] - [ 0.0036090600000000, 0.0159677100000000, -0.0041145000000000 ] - [ -0.0005446500000000, -0.1587208000000000, -0.1003863100000000 ] - [ 0.0006555400000000, -0.0017218700000000, -0.0011553600000000 ] - [ 0.0004346300000000, 0.0042909100000000, 0.0007736200000000 ] - [ 0.0005447900000000, -0.0003667800000000, -0.0001177900000000 ] - [ 0.0022327300000000, 0.0197763500000000, -0.0604445200000000 ] - [ -0.0185407700000000, 0.0213663400000000, -0.0559914600000000 ] - [ -0.0024558500000000, 0.0224891800000000, -0.0614130200000000 ] - [ 0.0005239700000000, 0.0237771900000000, -0.0623923700000000 ] - [ 0.0039350100000000, -0.0027822500000000, 0.0070701100000000 ] - [ -0.0003501400000000, -0.0034385200000000, 0.0052255100000000 ] - [ -0.0002382800000000, -0.0033285300000000, 0.0047042400000000 ] - [ 0.0012403300000000, -0.0041987900000000, 0.0044280100000000 ] - [ -0.0011541300000000, -0.0018015200000000, 0.0040034700000000 ] - [ -0.0059449500000000, 0.0156255000000000, 0.0308045600000000 ] - [ -0.0012055000000000, -0.0021914000000000, 0.0036203100000000 ] - [ -0.0002220300000000, 0.0007860600000000, -0.0006716700000000 ] - [ -0.0000676700000000, -0.0025036700000000, -0.0018331100000000 ] - [ -0.0004948200000000, 0.0002886800000000, -0.0113012800000000 ] - [ -0.0010783300000000, 0.0039625200000000, -0.0125257500000000 ] - [ -0.0007392300000000, 0.0008234400000000, -0.0116531300000000 ] - [ 0.0004514300000000, -0.0000836900000000, -0.0102431100000000 ] - [ -0.0005994900000000, 0.0015708400000000, -0.0108842100000000 ] - [ 0.0009246500000000, 0.0040449600000000, -0.0115164700000000 ] - [ 0.0000946200000000, 0.0029065800000000, -0.0115734600000000 ] - [ 0.0021505000000000, -0.0144260400000000, 0.0295009600000000 ] - [ -0.0006130200000000, -0.0137323100000000, 0.0278748800000000 ] - [ -0.0006220200000000, -0.0125607600000000, 0.0269091900000000 ] - [ -0.0002162200000000, -0.0137820400000000, 0.0277140400000000 ] - [ -0.0003941600000000, -0.0114412600000000, 0.0270668700000000 ] - [ -0.0031954700000000, -0.0118934600000000, 0.0280464200000000 ] - [ -0.0013709500000000, -0.0109808000000000, 0.0268918600000000 ] - [ 0.0001956800000000, -0.0102538600000000, 0.0268990300000000 ] - [ -0.0018723600000000, 0.0015743400000000, -0.0001006900000000 ] - [ -0.0014314300000000, 0.0015527200000000, 0.0000073900000000 ] - [ -0.0012902800000000, 0.0020796900000000, 0.0001863500000000 ] - [ -0.0018712800000000, 0.0019425700000000, 0.0003100800000000 ] - [ 0.0008212100000000, 0.0015996400000000, -0.0009411600000000 ] - [ 0.0013771800000000, 0.0019845000000000, 0.0010260300000000 ] - [ 0.0008343000000000, 0.0018326500000000, -0.0008782300000000 ] - [ 0.0007277500000000, 0.0040506300000000, 0.0030092800000000 ] - [ 0.0010089300000000, -0.0037924700000000, 0.0050490500000000 ] - [ 0.0006601300000000, 0.0002516500000000, 0.0003451900000000 ] - [ 0.0008163500000000, 0.0029467500000000, -0.0006220600000000 ] - [ 0.0006275000000000, 0.0008895200000000, -0.0002327300000000 ] - [ -0.0020443500000000, -0.0222483800000000, -0.0609157400000000 ] - [ 0.0004113000000000, -0.0229172600000000, -0.0599513500000000 ] - [ -0.0014170100000000, -0.0213739900000000, -0.0608902000000000 ] - [ -0.0015609800000000, -0.0204826100000000, -0.0602994100000000 ] - [ -0.0002776900000000, 0.0035596100000000, 0.0053820700000000 ] - [ 0.0026198200000000, 0.0035304400000000, 0.0055175800000000 ] - [ 0.0011902400000000, 0.0039007700000000, 0.0043151100000000 ] - [ 0.0013655700000000, 0.0036742800000000, 0.0046798300000000 ] - [ -0.0012815300000000, 0.0019080300000000, 0.0037317000000000 ] - [ -0.0000634200000000, 0.0092366400000000, 0.0228633200000000 ] - [ -0.0012642400000000, 0.0019881700000000, 0.0035629600000000 ] - [ -0.0012821700000000, 0.0022937300000000, 0.0022160100000000 ]- atom: 89 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0017606600000000, 0.0051935500000000, 0.0041327000000000 ] - [ 0.0007261600000000, 0.0009420500000000, 0.0025461400000000 ] - [ 0.0010703300000000, 0.0071968100000000, 0.0050205800000000 ] - [ 0.0054817800000000, 0.0113291400000000, 0.0062054100000000 ] - [ -0.0018482000000000, -0.0094849800000000, -0.0046892000000000 ] - [ -0.0015312600000000, -0.0027730600000000, -0.0051611100000000 ] - [ 0.0012558600000000, 0.0057886300000000, -0.0040756100000000 ] - [ -0.0018509200000000, -0.0010966000000000, -0.0049123300000000 ] - [ 0.0013494000000000, -0.0078999700000000, 0.0054810200000000 ] - [ 0.0022884700000000, -0.0121783200000000, 0.0056945900000000 ] - [ 0.0024844600000000, -0.0045816200000000, 0.0050542900000000 ] - [ -0.0021101200000000, -0.0005319800000000, 0.0055027700000000 ] - [ -0.0019864800000000, -0.0003346800000000, -0.0054238000000000 ] - [ -0.0013721100000000, 0.0016492700000000, -0.0047970200000000 ] - [ -0.0042107100000000, 0.0067085000000000, -0.0018864800000000 ] - [ -0.0011424200000000, 0.0026388900000000, -0.0047118000000000 ] - [ -0.0200108000000000, -0.0606209700000000, -0.0633811900000000 ] - [ -0.0099908600000000, -0.0182890900000000, -0.0261505400000000 ] - [ -0.0078064500000000, -0.0052847500000000, -0.0319764000000000 ] - [ -0.0094839000000000, -0.0170603900000000, -0.0259347800000000 ] - [ -0.0005957100000000, -0.0215675200000000, -0.0281372700000000 ] - [ 0.0184083300000000, -0.0147105900000000, -0.0255575300000000 ] - [ 0.0105971100000000, -0.0119415000000000, -0.0248350900000000 ] - [ 0.0079705400000000, -0.0139723300000000, -0.0242957100000000 ] - [ 0.0274915200000000, -0.0781038000000000, 0.0688087500000000 ] - [ 0.0211463100000000, -0.0261426200000000, 0.0665983300000000 ] - [ 0.0182424200000000, -0.0150318600000000, 0.0585486100000000 ] - [ 0.0195735400000000, -0.0259113200000000, 0.0667867600000000 ] - [ -0.0050814900000000, -0.0338714800000000, 0.0663499300000000 ] - [ -0.0311155200000000, -0.0238108300000000, 0.0658837000000000 ] - [ -0.0267829800000000, -0.0190588400000000, 0.0680530300000000 ] - [ -0.0205893000000000, -0.0217303600000000, 0.0670921300000000 ] - [ -0.0086235200000000, 0.0136580800000000, -0.0123388800000000 ] - [ -0.0095292000000000, 0.0177184000000000, -0.0245658100000000 ] - [ -0.0091302600000000, 0.0210660400000000, -0.0266875600000000 ] - [ -0.0098730900000000, 0.0178980500000000, -0.0253334500000000 ] - [ 0.0113542700000000, 0.0137118500000000, -0.0199978300000000 ] - [ 0.0071332500000000, 0.0152221700000000, -0.0213584000000000 ] - [ 0.0081310200000000, 0.0162908500000000, -0.0235380600000000 ] - [ 0.0099750900000000, 0.0154795700000000, -0.0232255900000000 ] - [ -0.0247652100000000, 0.0204983400000000, 0.0698831400000000 ] - [ -0.0203833000000000, 0.0217544500000000, 0.0702807400000000 ] - [ -0.0220990600000000, 0.0244041100000000, 0.0684539200000000 ] - [ -0.0222933200000000, 0.0238483300000000, 0.0689674600000000 ] - [ 0.0187088800000000, 0.0184751900000000, 0.0769042600000000 ] - [ 0.0198804500000000, 0.0257592100000000, 0.0674521400000000 ] - [ 0.0207882800000000, 0.0291760500000000, 0.0684004800000000 ] - [ 0.0200060900000000, 0.0264981100000000, 0.0671583900000000 ] - [ 0.0039090400000000, 0.0043615400000000, 0.0013853100000000 ] - [ 0.0023503900000000, 0.0005978800000000, 0.0014354000000000 ] - [ 0.0021156100000000, -0.0059429100000000, -0.0023253000000000 ] - [ 0.0026142300000000, -0.0036947600000000, -0.0023559700000000 ] - [ -0.0262374800000000, 0.0213330700000000, -0.0664871700000000 ] - [ 0.0038701400000000, 0.0347342900000000, -0.0611180700000000 ] - [ 0.0070363900000000, 0.0314093800000000, -0.0597646400000000 ] - [ 0.0022818700000000, 0.0351173700000000, -0.0606920100000000 ] - [ 0.0028484700000000, 0.0047883100000000, -0.0040546400000000 ] - [ 0.0028004900000000, 0.0041151400000000, -0.0036111600000000 ] - [ 0.0033789800000000, 0.0016599700000000, -0.0023401200000000 ] - [ 0.0026339900000000, 0.0024107500000000, -0.0020636400000000 ] - [ 0.0052836600000000, -0.0340151600000000, -0.0622351100000000 ] - [ 0.0021024400000000, -0.0349727300000000, -0.0611210900000000 ] - [ 0.0018603600000000, -0.0353090700000000, -0.0610602600000000 ] - [ 0.0024789900000000, -0.0351693100000000, -0.0609647200000000 ] - [ 0.0010279500000000, 0.0102464600000000, -0.0162211700000000 ] - [ -0.0005945300000000, -0.0002513600000000, -0.0117030400000000 ] - [ -0.0007545600000000, -0.0042783800000000, -0.0098041700000000 ] - [ -0.0006766600000000, -0.0008244300000000, -0.0114375900000000 ] - [ 0.0011727700000000, -0.0007141900000000, -0.0118851900000000 ] - [ -0.0006363300000000, -0.0011600300000000, -0.0122221600000000 ] - [ 0.0007299900000000, -0.0033570800000000, -0.0108014200000000 ] - [ 0.0000701700000000, -0.0029390500000000, -0.0111379400000000 ] - [ 0.0181362600000000, 0.0096139800000000, 0.0194942200000000 ] - [ -0.0013098800000000, 0.0136668600000000, 0.0275137500000000 ] - [ -0.0019040500000000, 0.0127402200000000, 0.0287301500000000 ] - [ -0.0001059100000000, 0.0136584000000000, 0.0278649900000000 ] - [ 0.0010565300000000, 0.0118558400000000, 0.0268700800000000 ] - [ -0.0164872000000000, 0.0165747800000000, 0.0240224900000000 ] - [ -0.0012495900000000, 0.0108193100000000, 0.0269973900000000 ] - [ 0.0008590800000000, 0.0090232300000000, 0.0276611900000000 ] - [ -0.0027824300000000, -0.0028382800000000, 0.0018678900000000 ] - [ -0.0007118900000000, -0.0021866000000000, 0.0005816500000000 ] - [ -0.0002383800000000, -0.0018909600000000, -0.0004716900000000 ] - [ -0.0027094600000000, -0.0022200000000000, 0.0004063400000000 ] - [ 0.0007062700000000, -0.0019747300000000, -0.0005798500000000 ] - [ 0.0045514000000000, -0.0176980600000000, 0.0123003200000000 ] - [ 0.0009576200000000, -0.0016336800000000, -0.0010681800000000 ] - [ -0.0019675400000000, -0.0190271500000000, 0.0018517800000000 ] - [ 0.0004131400000000, 0.1613691400000000, 0.0999928100000000 ] - [ 0.0005707600000000, 0.0002603400000000, 0.0007407500000000 ] - [ 0.0007952700000000, -0.0058034900000000, -0.0012052700000000 ] - [ 0.0006838400000000, -0.0011074100000000, -0.0003078400000000 ] - [ -0.0049903200000000, 0.0235914800000000, -0.0615281600000000 ] - [ 0.0159830500000000, 0.0220662300000000, -0.0660173900000000 ] - [ -0.0002510600000000, 0.0208432100000000, -0.0605549700000000 ] - [ -0.0032330300000000, 0.0195421400000000, -0.0595692900000000 ] - [ -0.0015298300000000, -0.0048859100000000, 0.0023728100000000 ] - [ 0.0028086000000000, -0.0042069000000000, 0.0042550700000000 ] - [ 0.0026975100000000, -0.0043335000000000, 0.0047714500000000 ] - [ 0.0012010500000000, -0.0034581300000000, 0.0050534100000000 ] - [ -0.0013288400000000, -0.0022089000000000, 0.0033296900000000 ] - [ 0.0035324900000000, -0.0200128700000000, -0.0238932800000000 ] - [ -0.0012755700000000, -0.0018183200000000, 0.0037152300000000 ] - [ -0.0022503500000000, -0.0048186900000000, 0.0079966900000000 ] - [ -0.0012555300000000, 0.0035573400000000, -0.0214113300000000 ] - [ -0.0008273400000000, 0.0006637800000000, -0.0119539800000000 ] - [ -0.0002349000000000, -0.0030487900000000, -0.0107333000000000 ] - [ -0.0005801400000000, 0.0001227600000000, -0.0116002600000000 ] - [ 0.0003499800000000, 0.0041259700000000, -0.0126961800000000 ] - [ 0.0014053200000000, 0.0024598900000000, -0.0120458900000000 ] - [ -0.0001344800000000, -0.0000434900000000, -0.0114197100000000 ] - [ 0.0007125100000000, 0.0011065800000000, -0.0113547900000000 ] - [ -0.0026670500000000, -0.0131562700000000, 0.0257624400000000 ] - [ 0.0001094900000000, -0.0138653900000000, 0.0274092900000000 ] - [ 0.0001218300000000, -0.0150575900000000, 0.0283914100000000 ] - [ -0.0002884800000000, -0.0138186800000000, 0.0275729000000000 ] - [ -0.0014505200000000, -0.0110998800000000, 0.0264606600000000 ] - [ 0.0013772500000000, -0.0106366100000000, 0.0254757400000000 ] - [ -0.0004649100000000, -0.0115670500000000, 0.0266376000000000 ] - [ -0.0020383000000000, -0.0123021400000000, 0.0266287200000000 ] - [ -0.0009941000000000, 0.0014817200000000, -0.0010334800000000 ] - [ -0.0014417600000000, 0.0015011300000000, -0.0011396100000000 ] - [ -0.0015814200000000, 0.0009756800000000, -0.0013216800000000 ] - [ -0.0009940800000000, 0.0011175000000000, -0.0014448100000000 ] - [ 0.0007635100000000, 0.0015352700000000, -0.0014466100000000 ] - [ 0.0002040500000000, 0.0011362500000000, -0.0034416000000000 ] - [ 0.0007498800000000, 0.0013030900000000, -0.0015084500000000 ] - [ 0.0008592500000000, -0.0009165000000000, -0.0054246900000000 ] - [ 0.0002175300000000, 0.0053089800000000, -0.0055277700000000 ] - [ 0.0005679200000000, 0.0012238500000000, -0.0007753700000000 ] - [ 0.0004118700000000, -0.0014948400000000, 0.0002014800000000 ] - [ 0.0006012400000000, 0.0005792100000000, -0.0001915500000000 ] - [ -0.0006578100000000, -0.0210864400000000, -0.0610546700000000 ] - [ -0.0031390100000000, -0.0204158300000000, -0.0620335900000000 ] - [ -0.0012909200000000, -0.0219682900000000, -0.0610801600000000 ] - [ -0.0011414200000000, -0.0228643900000000, -0.0616729600000000 ] - [ 0.0027295100000000, 0.0040926000000000, 0.0040966900000000 ] - [ -0.0001921400000000, 0.0041148300000000, 0.0039490100000000 ] - [ 0.0012544100000000, 0.0037537100000000, 0.0051711100000000 ] - [ 0.0010755600000000, 0.0039839700000000, 0.0048007700000000 ] - [ -0.0011992800000000, 0.0021008400000000, 0.0036035800000000 ] - [ -0.0024393800000000, -0.0052095000000000, -0.0156616100000000 ] - [ -0.0012156500000000, 0.0020222100000000, 0.0037741800000000 ] - [ -0.0011944900000000, 0.0017210800000000, 0.0051423300000000 ]- atom: 89 displacement: [ 0.0000055737063633, 0.0000000000000000, 0.0099999984466897 ] forces: - [ 0.0016640500000000, 0.0072935300000000, 0.0056383800000000 ] - [ -0.0016231500000000, 0.0138784400000000, 0.0044769200000000 ] - [ 0.0020803300000000, 0.0054318900000000, 0.0049784000000000 ] - [ -0.0022655900000000, 0.0002094500000000, 0.0044880500000000 ] - [ -0.0081725800000000, 0.0059211200000000, -0.0006619200000000 ] - [ -0.0016897500000000, -0.0020079800000000, -0.0041994500000000 ] - [ -0.0025998500000000, -0.0061289300000000, -0.0053563400000000 ] - [ -0.0014476600000000, -0.0028145900000000, -0.0048251400000000 ] - [ 0.0002668000000000, -0.0055780600000000, 0.0040104600000000 ] - [ 0.0089043600000000, -0.0019873400000000, -0.0011936900000000 ] - [ 0.0007792200000000, -0.0070318500000000, 0.0044947000000000 ] - [ 0.0040164200000000, -0.0089947000000000, 0.0044842200000000 ] - [ 0.0019523000000000, 0.0064960200000000, -0.0067380200000000 ] - [ -0.0021837900000000, 0.0027539600000000, -0.0051777800000000 ] - [ 0.0026630200000000, -0.0034821300000000, -0.0083508300000000 ] - [ -0.0022837600000000, 0.0012312600000000, -0.0052944400000000 ] - [ 0.0126507700000000, 0.0376642000000000, 0.0868196800000000 ] - [ -0.0105575500000000, -0.0173737300000000, -0.0246487800000000 ] - [ -0.0093997600000000, -0.0223271900000000, -0.0212607200000000 ] - [ -0.0103096400000000, -0.0180868000000000, -0.0248812100000000 ] - [ 0.0208199100000000, -0.0092482100000000, -0.0158303900000000 ] - [ -0.0045459500000000, -0.0172805700000000, -0.0203743100000000 ] - [ 0.0090806500000000, -0.0168589600000000, -0.0209701400000000 ] - [ 0.0093561700000000, -0.0157686000000000, -0.0224789300000000 ] - [ 0.0212222600000000, -0.0334426600000000, 0.0747510500000000 ] - [ 0.0185426300000000, -0.0262380100000000, 0.0674963900000000 ] - [ 0.0244614400000000, -0.0264516100000000, 0.0785430700000000 ] - [ 0.0190895500000000, -0.0265528900000000, 0.0675466600000000 ] - [ -0.0334135200000000, -0.0184265900000000, 0.0703797500000000 ] - [ -0.0139227800000000, -0.0215982800000000, 0.0717255600000000 ] - [ -0.0224644400000000, -0.0227870500000000, 0.0704568500000000 ] - [ -0.0227677800000000, -0.0238573000000000, 0.0707086400000000 ] - [ -0.0085526600000000, 0.0122682900000000, -0.0386852600000000 ] - [ -0.0102570700000000, 0.0177543300000000, -0.0264918600000000 ] - [ -0.0077475000000000, 0.0177295000000000, -0.0317059700000000 ] - [ -0.0102485700000000, 0.0174179400000000, -0.0260354900000000 ] - [ 0.0071791000000000, 0.0150001300000000, -0.0286180600000000 ] - [ 0.0118253300000000, 0.0149639600000000, -0.0259756200000000 ] - [ 0.0080446900000000, 0.0157870300000000, -0.0267608900000000 ] - [ 0.0097356100000000, 0.0149090000000000, -0.0245412800000000 ] - [ -0.0182727500000000, 0.0253783300000000, 0.0655508200000000 ] - [ -0.0256948700000000, 0.0239725400000000, 0.0647649700000000 ] - [ -0.0220996700000000, 0.0226253100000000, 0.0674285200000000 ] - [ -0.0226742700000000, 0.0227638300000000, 0.0669780700000000 ] - [ 0.0221669600000000, 0.0331764100000000, 0.0473571800000000 ] - [ 0.0195572700000000, 0.0265406700000000, 0.0662254000000000 ] - [ 0.0197835500000000, 0.0246059000000000, 0.0636073900000000 ] - [ 0.0195568000000000, 0.0260849300000000, 0.0666116500000000 ] - [ 0.0051539100000000, -0.0061831700000000, -0.0095599800000000 ] - [ 0.0038985600000000, -0.0065398700000000, -0.0070899200000000 ] - [ 0.0033238000000000, -0.0022731700000000, -0.0030547200000000 ] - [ 0.0028056900000000, -0.0025316000000000, -0.0024440700000000 ] - [ 0.0180570700000000, 0.0435883700000000, -0.0609551600000000 ] - [ 0.0016317500000000, 0.0355002600000000, -0.0607206400000000 ] - [ 0.0004374700000000, 0.0318636300000000, -0.0631292800000000 ] - [ 0.0031475600000000, 0.0351620700000000, -0.0611370800000000 ] - [ 0.0020618900000000, 0.0005712900000000, 0.0008894000000000 ] - [ 0.0027229900000000, 0.0011252200000000, -0.0001256900000000 ] - [ 0.0017890300000000, 0.0028874000000000, -0.0000592800000000 ] - [ 0.0026239700000000, 0.0027757400000000, -0.0014821200000000 ] - [ -0.0026463300000000, -0.0357380100000000, -0.0587584800000000 ] - [ 0.0037523400000000, -0.0351883700000000, -0.0605178400000000 ] - [ 0.0024969900000000, -0.0355319500000000, -0.0603460800000000 ] - [ 0.0029675800000000, -0.0352178000000000, -0.0606945800000000 ] - [ -0.0012304200000000, -0.0121203500000000, 0.0084402000000000 ] - [ -0.0005733200000000, -0.0006336000000000, -0.0115907800000000 ] - [ -0.0006604900000000, 0.0021434800000000, -0.0121678700000000 ] - [ -0.0004972600000000, -0.0001273400000000, -0.0118103600000000 ] - [ -0.0010287700000000, -0.0026219300000000, -0.0114601300000000 ] - [ 0.0022324700000000, -0.0027381300000000, -0.0103048600000000 ] - [ -0.0001873700000000, -0.0006667100000000, -0.0121686200000000 ] - [ 0.0009519000000000, -0.0011833600000000, -0.0115589000000000 ] - [ -0.0234219600000000, 0.0221666300000000, 0.0336689500000000 ] - [ 0.0020323400000000, 0.0142400600000000, 0.0278548400000000 ] - [ -0.0004143600000000, 0.0138579700000000, 0.0265078700000000 ] - [ 0.0000720200000000, 0.0138344800000000, 0.0274083900000000 ] - [ -0.0022663700000000, 0.0107446400000000, 0.0264628600000000 ] - [ 0.0254038400000000, 0.0104718600000000, 0.0299978400000000 ] - [ -0.0003903800000000, 0.0115787600000000, 0.0264609200000000 ] - [ -0.0016211700000000, 0.0125414900000000, 0.0261008100000000 ] - [ -0.0004037600000000, -0.0003783900000000, -0.0029512600000000 ] - [ -0.0014830100000000, -0.0012696800000000, -0.0021265500000000 ] - [ -0.0021305400000000, -0.0004923800000000, -0.0020318200000000 ] - [ -0.0000227700000000, 0.0002278700000000, -0.0025433400000000 ] - [ 0.0009352600000000, -0.0012606800000000, -0.0017166400000000 ] - [ -0.0011779100000000, 0.0007735300000000, -0.0113613000000000 ] - [ 0.0008530200000000, -0.0012085200000000, -0.0015859600000000 ] - [ 0.0021317900000000, 0.0143160100000000, -0.0139985600000000 ] - [ -0.0276893700000000, -0.1029605300000000, -0.1882741500000000 ] - [ 0.0008555200000000, -0.0016855300000000, -0.0011220000000000 ] - [ 0.0000157600000000, 0.0002632300000000, -0.0012461000000000 ] - [ 0.0006915100000000, -0.0006395900000000, -0.0003329900000000 ] - [ 0.0016183100000000, 0.0208042600000000, -0.0608028700000000 ] - [ -0.0183514200000000, 0.0268679800000000, -0.0594526700000000 ] - [ -0.0006499400000000, 0.0216975300000000, -0.0612901000000000 ] - [ -0.0017089000000000, 0.0222882100000000, -0.0622229100000000 ] - [ 0.0029038600000000, -0.0028648400000000, 0.0063652000000000 ] - [ -0.0001429400000000, -0.0034082700000000, 0.0050804000000000 ] - [ 0.0041149600000000, -0.0063947500000000, 0.0046421900000000 ] - [ 0.0003373500000000, -0.0046634900000000, 0.0042877400000000 ] - [ -0.0009986000000000, -0.0019679500000000, 0.0038871800000000 ] - [ -0.0028594800000000, 0.0043428400000000, 0.0159339600000000 ] - [ -0.0008541400000000, -0.0022495300000000, 0.0036016500000000 ] - [ -0.0023925500000000, -0.0094575400000000, 0.0064675600000000 ] - [ -0.0030519800000000, 0.0118187900000000, 0.0122254400000000 ] - [ -0.0002923200000000, 0.0004136800000000, -0.0114469200000000 ] - [ -0.0011086000000000, 0.0014373300000000, -0.0121423600000000 ] - [ -0.0004829000000000, 0.0007424900000000, -0.0116092000000000 ] - [ 0.0031286400000000, 0.0040646300000000, -0.0095492900000000 ] - [ -0.0009143800000000, 0.0020231300000000, -0.0112391100000000 ] - [ 0.0010603900000000, 0.0027788200000000, -0.0110906100000000 ] - [ 0.0001391300000000, 0.0025243000000000, -0.0115909300000000 ] - [ 0.0020400600000000, -0.0135183400000000, 0.0290405900000000 ] - [ -0.0004214300000000, -0.0136774500000000, 0.0278591600000000 ] - [ -0.0009305000000000, -0.0169337000000000, 0.0307140100000000 ] - [ -0.0000897700000000, -0.0136410700000000, 0.0277189000000000 ] - [ 0.0000206000000000, -0.0111251100000000, 0.0272281100000000 ] - [ -0.0040288100000000, -0.0108866900000000, 0.0282511400000000 ] - [ -0.0003448500000000, -0.0111703800000000, 0.0270792700000000 ] - [ -0.0016138800000000, -0.0110057700000000, 0.0274340500000000 ] - [ -0.0018269200000000, 0.0021926500000000, 0.0011519100000000 ] - [ -0.0017409700000000, 0.0018191400000000, 0.0009814500000000 ] - [ -0.0012572200000000, 0.0022910800000000, 0.0003422100000000 ] - [ -0.0018760000000000, 0.0020190000000000, 0.0003048000000000 ] - [ 0.0010287500000000, 0.0018073800000000, -0.0005324700000000 ] - [ 0.0017215500000000, 0.0039133500000000, 0.0053961900000000 ] - [ 0.0009734000000000, 0.0018154800000000, -0.0007499600000000 ] - [ 0.0003751400000000, 0.0057343200000000, 0.0025108400000000 ] - [ 0.0008590100000000, -0.0045668400000000, 0.0069688700000000 ] - [ 0.0007756000000000, 0.0001735600000000, 0.0004998200000000 ] - [ 0.0009378900000000, 0.0011517300000000, 0.0022827000000000 ] - [ 0.0007871700000000, 0.0007557000000000, 0.0000605900000000 ] - [ -0.0020641700000000, -0.0223013700000000, -0.0608666300000000 ] - [ 0.0017509100000000, -0.0224208600000000, -0.0585624100000000 ] - [ -0.0011933200000000, -0.0215978000000000, -0.0608194100000000 ] - [ -0.0015464200000000, -0.0205879900000000, -0.0599119800000000 ] - [ -0.0005744900000000, 0.0035987200000000, 0.0049415700000000 ] - [ 0.0034868000000000, 0.0038971900000000, 0.0062309500000000 ] - [ 0.0008602900000000, 0.0034722600000000, 0.0043476600000000 ] - [ 0.0020397200000000, 0.0028921000000000, 0.0050365200000000 ] - [ -0.0010529200000000, 0.0020029900000000, 0.0036883800000000 ] - [ 0.0008380800000000, 0.0115429700000000, 0.0323552000000000 ] - [ -0.0011573200000000, 0.0018876400000000, 0.0035710200000000 ] - [ -0.0016752700000000, 0.0006911800000000, 0.0035613700000000 ]- atom: 89 displacement: [ -0.0000055737063633, 0.0000000000000000, -0.0099999984466897 ] forces: - [ 0.0017825600000000, 0.0052148700000000, 0.0040851500000000 ] - [ 0.0050624400000000, -0.0013381600000000, 0.0052733300000000 ] - [ 0.0013704700000000, 0.0070718900000000, 0.0047424200000000 ] - [ 0.0056943500000000, 0.0122684400000000, 0.0052403200000000 ] - [ 0.0048261500000000, -0.0099418200000000, -0.0095527600000000 ] - [ -0.0013575000000000, -0.0021630600000000, -0.0056078100000000 ] - [ -0.0004645300000000, 0.0019283300000000, -0.0044534300000000 ] - [ -0.0016006800000000, -0.0013654800000000, -0.0049798000000000 ] - [ 0.0031875600000000, -0.0069204600000000, 0.0056964200000000 ] - [ -0.0054901100000000, -0.0105069600000000, 0.0108736300000000 ] - [ 0.0026650100000000, -0.0054798000000000, 0.0052158400000000 ] - [ -0.0005561700000000, -0.0035357400000000, 0.0052230200000000 ] - [ -0.0049812800000000, -0.0022931400000000, -0.0030506000000000 ] - [ -0.0008691200000000, 0.0014242700000000, -0.0046239500000000 ] - [ -0.0056934600000000, 0.0076319500000000, -0.0014543900000000 ] - [ -0.0007690900000000, 0.0029415000000000, -0.0045086300000000 ] - [ -0.0302173200000000, -0.0687156600000000, -0.1313814000000000 ] - [ -0.0087380600000000, -0.0181427600000000, -0.0263274700000000 ] - [ -0.0099115700000000, -0.0132650600000000, -0.0296653800000000 ] - [ -0.0089853200000000, -0.0174371000000000, -0.0260996500000000 ] - [ -0.0021063200000000, -0.0210585400000000, -0.0312248000000000 ] - [ 0.0231599400000000, -0.0130679900000000, -0.0266925300000000 ] - [ 0.0095901400000000, -0.0134986700000000, -0.0261219800000000 ] - [ 0.0093354600000000, -0.0145829600000000, -0.0246164500000000 ] - [ 0.0189389200000000, -0.0197241500000000, 0.0588350400000000 ] - [ 0.0214841500000000, -0.0261008500000000, 0.0664717700000000 ] - [ 0.0155872200000000, -0.0258828500000000, 0.0554225800000000 ] - [ 0.0209430900000000, -0.0257883600000000, 0.0664214500000000 ] - [ -0.0112503700000000, -0.0275724100000000, 0.0661764400000000 ] - [ -0.0306015200000000, -0.0244117800000000, 0.0648605600000000 ] - [ -0.0221522000000000, -0.0232313000000000, 0.0661084400000000 ] - [ -0.0218329400000000, -0.0221533800000000, 0.0658674400000000 ] - [ -0.0107715600000000, 0.0233417300000000, -0.0123520500000000 ] - [ -0.0090346100000000, 0.0177667500000000, -0.0244988300000000 ] - [ -0.0115530900000000, 0.0177659900000000, -0.0192970800000000 ] - [ -0.0090426500000000, 0.0181013200000000, -0.0249520100000000 ] - [ 0.0115063600000000, 0.0153581700000000, -0.0185003200000000 ] - [ 0.0068526200000000, 0.0153822100000000, -0.0211444000000000 ] - [ 0.0106432300000000, 0.0145419900000000, -0.0203451500000000 ] - [ 0.0089383400000000, 0.0154343400000000, -0.0225696800000000 ] - [ -0.0262974800000000, 0.0206427900000000, 0.0710234100000000 ] - [ -0.0189257700000000, 0.0220380400000000, 0.0718001000000000 ] - [ -0.0224968100000000, 0.0233786200000000, 0.0691477800000000 ] - [ -0.0219287900000000, 0.0232409600000000, 0.0695948900000000 ] - [ 0.0178705900000000, 0.0191933400000000, 0.0865187800000000 ] - [ 0.0204768100000000, 0.0257996600000000, 0.0677432200000000 ] - [ 0.0202458200000000, 0.0277278900000000, 0.0703721400000000 ] - [ 0.0204768700000000, 0.0262529900000000, 0.0673579700000000 ] - [ 0.0002594500000000, 0.0006260400000000, 0.0054209800000000 ] - [ 0.0014707400000000, 0.0009784700000000, 0.0029280600000000 ] - [ 0.0020563800000000, -0.0032587800000000, -0.0010822400000000 ] - [ 0.0025692000000000, -0.0030022700000000, -0.0016886500000000 ] - [ -0.0129399900000000, 0.0266475900000000, -0.0607569000000000 ] - [ 0.0034284600000000, 0.0347154800000000, -0.0610567500000000 ] - [ 0.0046380100000000, 0.0383462800000000, -0.0586362000000000 ] - [ 0.0019196400000000, 0.0350548700000000, -0.0606414700000000 ] - [ 0.0033092000000000, 0.0049564000000000, -0.0050146400000000 ] - [ 0.0026544500000000, 0.0044048400000000, -0.0040012400000000 ] - [ 0.0035824500000000, 0.0026560000000000, -0.0040729600000000 ] - [ 0.0027519700000000, 0.0027624400000000, -0.0026503900000000 ] - [ 0.0076753200000000, -0.0344799500000000, -0.0630154300000000 ] - [ 0.0013208100000000, -0.0350284500000000, -0.0612609700000000 ] - [ 0.0025718900000000, -0.0346870300000000, -0.0614331100000000 ] - [ 0.0021005900000000, -0.0349993000000000, -0.0610840400000000 ] - [ -0.0001019800000000, 0.0110254100000000, -0.0314538500000000 ] - [ -0.0007458400000000, -0.0003192300000000, -0.0116625700000000 ] - [ -0.0006560700000000, -0.0030759300000000, -0.0111060300000000 ] - [ -0.0008211500000000, -0.0008232600000000, -0.0114437000000000 ] - [ 0.0018275000000000, -0.0014073300000000, -0.0114789800000000 ] - [ -0.0014267900000000, -0.0012897900000000, -0.0126273400000000 ] - [ 0.0009861100000000, -0.0033528000000000, -0.0107697200000000 ] - [ -0.0001496400000000, -0.0028390000000000, -0.0113759300000000 ] - [ 0.0227041700000000, 0.0055062600000000, 0.0216187900000000 ] - [ -0.0025288800000000, 0.0133592900000000, 0.0274305900000000 ] - [ -0.0000759600000000, 0.0137448300000000, 0.0287713200000000 ] - [ -0.0005778500000000, 0.0137654100000000, 0.0278773000000000 ] - [ 0.0004213800000000, 0.0117941600000000, 0.0270645600000000 ] - [ -0.0270094400000000, 0.0120227200000000, 0.0234464300000000 ] - [ -0.0014433600000000, 0.0109650900000000, 0.0270676600000000 ] - [ -0.0002295400000000, 0.0100143900000000, 0.0274221100000000 ] - [ -0.0024631700000000, -0.0026742100000000, 0.0018201800000000 ] - [ -0.0013933400000000, -0.0017840300000000, 0.0009923500000000 ] - [ -0.0007411900000000, -0.0025641700000000, 0.0008989900000000 ] - [ -0.0028434100000000, -0.0032826300000000, 0.0014097300000000 ] - [ 0.0006501100000000, -0.0018729900000000, -0.0006691000000000 ] - [ 0.0027532100000000, -0.0037811000000000, 0.0089617400000000 ] - [ 0.0007326400000000, -0.0019264800000000, -0.0007984900000000 ] - [ -0.0005363200000000, -0.0173940600000000, 0.0114353200000000 ] - [ 0.0273433600000000, 0.0974405600000000, 0.1819524900000000 ] - [ 0.0003713800000000, 0.0002098500000000, 0.0006914000000000 ] - [ 0.0012120200000000, -0.0017164700000000, 0.0008241100000000 ] - [ 0.0005351400000000, -0.0008304600000000, -0.0000936200000000 ] - [ -0.0043053200000000, 0.0225305700000000, -0.0611601400000000 ] - [ 0.0155869400000000, 0.0164821700000000, -0.0624379500000000 ] - [ -0.0020543000000000, 0.0216454200000000, -0.0606776000000000 ] - [ -0.0009941400000000, 0.0210594400000000, -0.0597489600000000 ] - [ -0.0004456500000000, -0.0047833500000000, 0.0031306900000000 ] - [ 0.0025776400000000, -0.0042412400000000, 0.0044060900000000 ] - [ -0.0016973200000000, -0.0012366100000000, 0.0048472400000000 ] - [ 0.0021065700000000, -0.0029920100000000, 0.0051961300000000 ] - [ -0.0014811000000000, -0.0020434200000000, 0.0034519500000000 ] - [ 0.0003394300000000, -0.0082357100000000, -0.0084731200000000 ] - [ -0.0016271000000000, -0.0017624400000000, 0.0037365000000000 ] - [ -0.0000732800000000, 0.0054883200000000, 0.0008663600000000 ] - [ 0.0017776800000000, -0.0110441900000000, -0.0358142100000000 ] - [ -0.0010272100000000, 0.0005393300000000, -0.0118004900000000 ] - [ -0.0002123500000000, -0.0004642900000000, -0.0111053500000000 ] - [ -0.0008362300000000, 0.0002116500000000, -0.0116408300000000 ] - [ -0.0023381600000000, -0.0000537200000000, -0.0133774000000000 ] - [ 0.0017095700000000, 0.0020041000000000, -0.0116811500000000 ] - [ -0.0002539700000000, 0.0012577500000000, -0.0118319900000000 ] - [ 0.0006604300000000, 0.0015083100000000, -0.0113377100000000 ] - [ -0.0025474600000000, -0.0140907100000000, 0.0262590500000000 ] - [ -0.0000825500000000, -0.0139236000000000, 0.0274313100000000 ] - [ 0.0004288800000000, -0.0106537400000000, 0.0245669300000000 ] - [ -0.0004134900000000, -0.0139595300000000, 0.0275703600000000 ] - [ -0.0018615600000000, -0.0114174200000000, 0.0263051900000000 ] - [ 0.0022049200000000, -0.0116579100000000, 0.0252893600000000 ] - [ -0.0014971200000000, -0.0113688700000000, 0.0264527400000000 ] - [ -0.0002137300000000, -0.0115299500000000, 0.0261005300000000 ] - [ -0.0010481100000000, 0.0008699000000000, -0.0022737300000000 ] - [ -0.0011283900000000, 0.0012423000000000, -0.0021015100000000 ] - [ -0.0016146600000000, 0.0007668900000000, -0.0014654300000000 ] - [ -0.0009949300000000, 0.0010405100000000, -0.0014273300000000 ] - [ 0.0005566200000000, 0.0013296800000000, -0.0018478100000000 ] - [ -0.0001260800000000, -0.0007593800000000, -0.0077415300000000 ] - [ 0.0006117800000000, 0.0013210800000000, -0.0016312700000000 ] - [ 0.0012190700000000, -0.0026220800000000, -0.0048846300000000 ] - [ 0.0003691200000000, 0.0060115300000000, -0.0073736700000000 ] - [ 0.0004513500000000, 0.0012950400000000, -0.0009243800000000 ] - [ 0.0002906600000000, 0.0003297500000000, -0.0027088700000000 ] - [ 0.0004401800000000, 0.0007157300000000, -0.0004866100000000 ] - [ -0.0006495200000000, -0.0210457300000000, -0.0611051000000000 ] - [ -0.0044283600000000, -0.0209294400000000, -0.0634035400000000 ] - [ -0.0015153200000000, -0.0217449000000000, -0.0611510200000000 ] - [ -0.0011569000000000, -0.0227514700000000, -0.0620573000000000 ] - [ 0.0030104100000000, 0.0040548800000000, 0.0045337600000000 ] - [ -0.0010320600000000, 0.0037575800000000, 0.0032527600000000 ] - [ 0.0015822700000000, 0.0041805100000000, 0.0051280900000000 ] - [ 0.0004065500000000, 0.0047596300000000, 0.0044425400000000 ] - [ -0.0014274200000000, 0.0020093000000000, 0.0036465900000000 ] - [ -0.0032902100000000, -0.0074180300000000, -0.0246787100000000 ] - [ -0.0013235500000000, 0.0021244100000000, 0.0037639200000000 ] - [ -0.0008039700000000, 0.0033176500000000, 0.0037598800000000 ]- atom: 93 displacement: [ 0.0099999993466229, 0.0000000000000000, -0.0000036149054082 ] forces: - [ 0.0095556800000000, 0.0064689200000000, 0.0047265400000000 ] - [ -0.0024419600000000, 0.0063760700000000, 0.0049625000000000 ] - [ 0.0060318200000000, 0.0055226000000000, 0.0046793600000000 ] - [ -0.0013734600000000, 0.0064260600000000, 0.0048878700000000 ] - [ -0.0051688900000000, -0.0083301300000000, -0.0020142800000000 ] - [ -0.0048515900000000, 0.0041732300000000, -0.0068477000000000 ] - [ -0.0024078000000000, 0.0051678500000000, -0.0024738300000000 ] - [ -0.0031282000000000, -0.0107496700000000, -0.0076100500000000 ] - [ 0.0186557200000000, -0.0055205700000000, 0.0041603100000000 ] - [ -0.0027098500000000, -0.0063669600000000, 0.0046482200000000 ] - [ 0.0109873300000000, -0.0061119300000000, 0.0050956500000000 ] - [ -0.0034642000000000, -0.0065151900000000, 0.0047335300000000 ] - [ -0.0026493600000000, 0.0029301000000000, -0.0063126700000000 ] - [ -0.0023895100000000, 0.0017387900000000, -0.0036251800000000 ] - [ -0.0020609400000000, 0.0014171200000000, -0.0061044300000000 ] - [ -0.0019049800000000, 0.0022798100000000, -0.0040608300000000 ] - [ -0.0182787700000000, -0.0181144400000000, -0.0287435600000000 ] - [ 0.0000320700000000, -0.0112030800000000, -0.0121463500000000 ] - [ -0.0148484400000000, -0.0137448900000000, -0.0283518000000000 ] - [ -0.0057793000000000, -0.0275539300000000, -0.0192134200000000 ] - [ 0.0186400200000000, -0.0232405000000000, -0.0397452800000000 ] - [ 0.0035448800000000, -0.0135433700000000, -0.0187123100000000 ] - [ 0.0122830400000000, -0.0062980400000000, -0.0285181800000000 ] - [ 0.0045503900000000, -0.0189048300000000, -0.0208086700000000 ] - [ -0.0074687600000000, -0.0311430300000000, 0.0688282900000000 ] - [ 0.0286107900000000, -0.0199901400000000, 0.0568650500000000 ] - [ 0.0155685800000000, -0.0265246200000000, 0.0675603200000000 ] - [ 0.0239325300000000, -0.0257932000000000, 0.0661239700000000 ] - [ 0.0007583100000000, -0.0292051600000000, 0.0783884200000000 ] - [ -0.0518575100000000, -0.0149107000000000, 0.0671593300000000 ] - [ -0.0192420400000000, -0.0236877800000000, 0.0704291100000000 ] - [ -0.0258083100000000, -0.0231563400000000, 0.0674889200000000 ] - [ -0.0160503200000000, 0.0171890900000000, -0.0211661500000000 ] - [ -0.0025308200000000, 0.0131585200000000, -0.0403407700000000 ] - [ -0.0128722700000000, 0.0174447700000000, -0.0246509800000000 ] - [ -0.0065700300000000, 0.0181329200000000, -0.0267119400000000 ] - [ 0.0159866900000000, 0.0189363300000000, -0.0112440200000000 ] - [ 0.0028970300000000, 0.0156989500000000, -0.0279003000000000 ] - [ 0.0119490800000000, 0.0147684300000000, -0.0224473500000000 ] - [ 0.0067419900000000, 0.0152620100000000, -0.0245207800000000 ] - [ -0.0194370000000000, 0.0215638600000000, 0.0669200400000000 ] - [ -0.0251782400000000, 0.0236097500000000, 0.0685060100000000 ] - [ -0.0201369400000000, 0.0240702000000000, 0.0685891900000000 ] - [ -0.0249044000000000, 0.0222394200000000, 0.0680942700000000 ] - [ 0.0164928500000000, 0.0261706400000000, 0.0666100000000000 ] - [ 0.0234983200000000, 0.0274953100000000, 0.0670478000000000 ] - [ 0.0173134800000000, 0.0269058700000000, 0.0670722000000000 ] - [ 0.0222345700000000, 0.0247410500000000, 0.0663256500000000 ] - [ 0.0166127000000000, 0.0197051800000000, 0.0174715100000000 ] - [ 0.0062822200000000, -0.0085942300000000, -0.0061731200000000 ] - [ 0.0016272700000000, -0.0047693900000000, -0.0017995100000000 ] - [ 0.0043334500000000, -0.0009245800000000, -0.0029794300000000 ] - [ 0.0542640200000000, 0.0237015000000000, -0.0655156300000000 ] - [ 0.0627028800000000, 0.0447944900000000, -0.0564919500000000 ] - [ 0.0039291800000000, 0.0365502400000000, -0.0608408900000000 ] - [ 0.0024868900000000, 0.0339139800000000, -0.0610452000000000 ] - [ 0.0021703400000000, 0.0044220300000000, -0.0047092600000000 ] - [ 0.0035006400000000, 0.0015953800000000, -0.0009716900000000 ] - [ 0.0022337600000000, 0.0028626800000000, -0.0018888500000000 ] - [ 0.0032363900000000, 0.0026461300000000, -0.0021493500000000 ] - [ 0.0036573600000000, -0.0352344500000000, -0.0605397500000000 ] - [ 0.0026027100000000, -0.0351145000000000, -0.0610549600000000 ] - [ 0.0031317200000000, -0.0357427800000000, -0.0607147200000000 ] - [ 0.0029457600000000, -0.0345108100000000, -0.0609768600000000 ] - [ 0.0006292600000000, -0.0006717500000000, -0.0108138000000000 ] - [ -0.0019625400000000, -0.0001664800000000, -0.0133695500000000 ] - [ 0.0003520300000000, -0.0010277500000000, -0.0109218700000000 ] - [ -0.0015199500000000, 0.0010158100000000, -0.0133935900000000 ] - [ -0.0009477900000000, -0.0034635500000000, -0.0086914200000000 ] - [ 0.0015612200000000, -0.0015907900000000, -0.0124472500000000 ] - [ -0.0005442300000000, -0.0030502300000000, -0.0098457900000000 ] - [ 0.0014390500000000, -0.0013787500000000, -0.0121924900000000 ] - [ 0.0049871600000000, 0.0153822000000000, 0.0292462000000000 ] - [ 0.0008076000000000, 0.0128346900000000, 0.0265537500000000 ] - [ 0.0017312000000000, 0.0120968100000000, 0.0288442000000000 ] - [ 0.0012262000000000, 0.0155841700000000, 0.0262501000000000 ] - [ -0.0116039800000000, 0.0109135100000000, 0.0264240600000000 ] - [ 0.0057254500000000, 0.0110477400000000, 0.0265894000000000 ] - [ -0.0077563600000000, 0.0117262000000000, 0.0267160000000000 ] - [ 0.0040529700000000, 0.0110073700000000, 0.0267372600000000 ] - [ -0.0000237900000000, -0.0145621200000000, 0.0150187400000000 ] - [ 0.0018661800000000, 0.0006108300000000, -0.0045626400000000 ] - [ -0.0029017500000000, 0.0015958300000000, -0.0013905000000000 ] - [ -0.0003200700000000, -0.0025217300000000, -0.0006834300000000 ] - [ 0.0019963400000000, 0.0114753800000000, -0.0170548000000000 ] - [ 0.0038270200000000, -0.0038283500000000, 0.0030104200000000 ] - [ -0.0005703100000000, -0.0031577100000000, -0.0012023000000000 ] - [ 0.0020008800000000, -0.0009011500000000, -0.0010111400000000 ] - [ 0.0038348300000000, 0.0028970600000000, 0.0027605400000000 ] - [ 0.0119028700000000, -0.0178929900000000, -0.0171129200000000 ] - [ 0.0018062600000000, -0.0018432300000000, 0.0004873500000000 ] - [ -0.0003901500000000, 0.0011362900000000, -0.0005699800000000 ] - [ -0.2081501600000000, 0.0181487100000000, -0.0639119800000000 ] - [ 0.0166967200000000, 0.0217143600000000, -0.0609269600000000 ] - [ -0.0055787200000000, 0.0216806400000000, -0.0610885100000000 ] - [ 0.0024018400000000, 0.0218254600000000, -0.0610139900000000 ] - [ 0.0041285400000000, -0.0170591000000000, -0.0061706800000000 ] - [ 0.0063467500000000, -0.0016604100000000, 0.0083113100000000 ] - [ -0.0005473900000000, -0.0032438500000000, 0.0034659700000000 ] - [ 0.0027614100000000, -0.0039595100000000, 0.0054729000000000 ] - [ 0.0015453700000000, 0.0106411300000000, 0.0153250700000000 ] - [ 0.0030020900000000, -0.0042469300000000, -0.0002660800000000 ] - [ -0.0025327200000000, -0.0028090000000000, 0.0045774300000000 ] - [ 0.0002550500000000, -0.0019378100000000, 0.0030430500000000 ] - [ 0.0024122300000000, 0.0008206200000000, -0.0141647700000000 ] - [ 0.0121532600000000, -0.0008226900000000, 0.0078706800000000 ] - [ 0.0010890900000000, -0.0005898100000000, -0.0124124300000000 ] - [ -0.0023573900000000, 0.0017659000000000, -0.0108104000000000 ] - [ 0.0116593900000000, 0.0040382000000000, -0.0286940400000000 ] - [ 0.0037714500000000, 0.0014588700000000, -0.0086995200000000 ] - [ -0.0012466100000000, 0.0010111700000000, -0.0124409200000000 ] - [ 0.0024036000000000, 0.0033590200000000, -0.0105573900000000 ] - [ 0.0018804200000000, -0.0135094800000000, 0.0252182200000000 ] - [ 0.0025046300000000, -0.0138528500000000, 0.0303342500000000 ] - [ 0.0002024300000000, -0.0126712700000000, 0.0267619600000000 ] - [ -0.0003159100000000, -0.0147528500000000, 0.0284432400000000 ] - [ -0.0107005300000000, -0.0116994700000000, 0.0270077600000000 ] - [ 0.0049861300000000, -0.0109848100000000, 0.0266495200000000 ] - [ -0.0044090400000000, -0.0114324300000000, 0.0267856500000000 ] - [ 0.0022262600000000, -0.0110733400000000, 0.0267691100000000 ] - [ -0.0029342900000000, 0.0017753600000000, 0.0005974300000000 ] - [ -0.0006144500000000, 0.0014378700000000, -0.0008294100000000 ] - [ -0.0029558200000000, -0.0004703100000000, -0.0019753100000000 ] - [ -0.0002877400000000, 0.0024215700000000, -0.0000160400000000 ] - [ -0.0004853300000000, 0.0013744500000000, -0.0018133300000000 ] - [ 0.0016458700000000, 0.0016461600000000, -0.0008414300000000 ] - [ -0.0006094300000000, 0.0044113900000000, 0.0009587600000000 ] - [ 0.0018800200000000, 0.0006199000000000, -0.0017544200000000 ] - [ 0.0013286200000000, 0.0014307500000000, -0.0009252700000000 ] - [ 0.0001507700000000, -0.0010428700000000, 0.0028835500000000 ] - [ 0.0011526300000000, 0.0007965000000000, -0.0000507000000000 ] - [ 0.0002133700000000, 0.0009374700000000, -0.0003973000000000 ] - [ -0.0052527300000000, -0.0216036300000000, -0.0608478000000000 ] - [ 0.0018213900000000, -0.0218297300000000, -0.0609786400000000 ] - [ -0.0045526100000000, -0.0214922200000000, -0.0609093800000000 ] - [ 0.0013981400000000, -0.0217297300000000, -0.0609690000000000 ] - [ -0.0001933300000000, 0.0053278200000000, 0.0071070400000000 ] - [ 0.0025021200000000, 0.0031466000000000, 0.0039964600000000 ] - [ 0.0001131300000000, 0.0034060200000000, 0.0059646900000000 ] - [ 0.0023599200000000, 0.0038236000000000, 0.0042445400000000 ] - [ -0.0025679900000000, 0.0009063000000000, 0.0022101900000000 ] - [ 0.0001520700000000, 0.0025318000000000, 0.0042868300000000 ] - [ -0.0023676000000000, 0.0021065500000000, 0.0023849200000000 ] - [ -0.0001590500000000, 0.0020625300000000, 0.0041685400000000 ]- atom: 93 displacement: [ -0.0099999993466229, 0.0000000000000000, 0.0000036149054082 ] forces: - [ -0.0060938600000000, 0.0059980500000000, 0.0050652300000000 ] - [ 0.0058982900000000, 0.0061224900000000, 0.0047456400000000 ] - [ -0.0025711200000000, 0.0069882700000000, 0.0050535100000000 ] - [ 0.0048287200000000, 0.0060798700000000, 0.0048374600000000 ] - [ 0.0021560500000000, 0.0041298000000000, -0.0077691800000000 ] - [ 0.0017409000000000, -0.0083823800000000, -0.0029447100000000 ] - [ -0.0006066500000000, -0.0093068100000000, -0.0073127300000000 ] - [ 0.0000311000000000, 0.0066251100000000, -0.0021691600000000 ] - [ -0.0151361200000000, -0.0066491000000000, 0.0052232700000000 ] - [ 0.0061701200000000, -0.0061637600000000, 0.0051011300000000 ] - [ -0.0075316100000000, -0.0064162000000000, 0.0046209700000000 ] - [ 0.0069232000000000, -0.0059655000000000, 0.0050058700000000 ] - [ -0.0003881800000000, 0.0012371100000000, -0.0035093400000000 ] - [ -0.0006920300000000, 0.0024301500000000, -0.0061990300000000 ] - [ -0.0009818200000000, 0.0027509600000000, -0.0037198600000000 ] - [ -0.0011696300000000, 0.0018935800000000, -0.0057599500000000 ] - [ -0.0010195100000000, -0.0174217500000000, -0.0222870600000000 ] - [ -0.0194317600000000, -0.0243036600000000, -0.0388658900000000 ] - [ -0.0044360200000000, -0.0217327000000000, -0.0226799100000000 ] - [ -0.0135409100000000, -0.0079469700000000, -0.0317928900000000 ] - [ 0.0001515800000000, -0.0071347200000000, -0.0074430300000000 ] - [ 0.0151317800000000, -0.0168426400000000, -0.0284541300000000 ] - [ 0.0064231100000000, -0.0240446000000000, -0.0186081200000000 ] - [ 0.0141227800000000, -0.0114164200000000, -0.0263401200000000 ] - [ 0.0474173000000000, -0.0212072500000000, 0.0651858800000000 ] - [ 0.0068420100000000, -0.0342317500000000, 0.0781319900000000 ] - [ 0.0244820700000000, -0.0258060100000000, 0.0664348700000000 ] - [ 0.0160514900000000, -0.0264971400000000, 0.0679035400000000 ] - [ -0.0403994300000000, -0.0185989600000000, 0.0592047800000000 ] - [ 0.0073989300000000, -0.0311278800000000, 0.0694328300000000 ] - [ -0.0253137800000000, -0.0222500200000000, 0.0662003600000000 ] - [ -0.0188104400000000, -0.0228207400000000, 0.0691004600000000 ] - [ -0.0032223600000000, 0.0183415100000000, -0.0297991200000000 ] - [ -0.0169562500000000, 0.0223277400000000, -0.0106711800000000 ] - [ -0.0064040600000000, 0.0180825200000000, -0.0263454800000000 ] - [ -0.0127739100000000, 0.0174408700000000, -0.0243149000000000 ] - [ 0.0028531400000000, 0.0114005700000000, -0.0359022300000000 ] - [ 0.0157683100000000, 0.0146768200000000, -0.0191808500000000 ] - [ 0.0067844000000000, 0.0156509400000000, -0.0247026200000000 ] - [ 0.0119262300000000, 0.0151062000000000, -0.0225976500000000 ] - [ -0.0251107500000000, 0.0244176100000000, 0.0695923000000000 ] - [ -0.0194430700000000, 0.0223678100000000, 0.0680617100000000 ] - [ -0.0244397100000000, 0.0219277300000000, 0.0679670500000000 ] - [ -0.0197066200000000, 0.0237554700000000, 0.0684801100000000 ] - [ 0.0235589100000000, 0.0261604600000000, 0.0673616000000000 ] - [ 0.0164848400000000, 0.0248400100000000, 0.0668835300000000 ] - [ 0.0227315000000000, 0.0254382400000000, 0.0669059400000000 ] - [ 0.0177722100000000, 0.0276046400000000, 0.0676341100000000 ] - [ -0.0111153800000000, -0.0249184800000000, -0.0213892300000000 ] - [ -0.0009185100000000, 0.0031226600000000, 0.0020846800000000 ] - [ 0.0037306000000000, -0.0007857400000000, -0.0023282800000000 ] - [ 0.0010387300000000, -0.0046328100000000, -0.0011489900000000 ] - [ -0.0485990800000000, 0.0464118100000000, -0.0563688700000000 ] - [ -0.0583760300000000, 0.0253338100000000, -0.0654037800000000 ] - [ 0.0011084700000000, 0.0336678500000000, -0.0609510200000000 ] - [ 0.0026254700000000, 0.0363068300000000, -0.0607445400000000 ] - [ 0.0031778400000000, 0.0011103800000000, 0.0006022100000000 ] - [ 0.0018777300000000, 0.0039504100000000, -0.0031631900000000 ] - [ 0.0031268800000000, 0.0026572600000000, -0.0022085600000000 ] - [ 0.0021388100000000, 0.0028872000000000, -0.0019710200000000 ] - [ 0.0013751100000000, -0.0349882200000000, -0.0612365500000000 ] - [ 0.0025091500000000, -0.0351080700000000, -0.0607225500000000 ] - [ 0.0019152200000000, -0.0344802100000000, -0.0610661600000000 ] - [ 0.0021463600000000, -0.0357134500000000, -0.0608036500000000 ] - [ -0.0019579400000000, -0.0003020800000000, -0.0124252200000000 ] - [ 0.0006501300000000, -0.0008052900000000, -0.0098740800000000 ] - [ -0.0016799700000000, 0.0000488100000000, -0.0123174300000000 ] - [ 0.0002004900000000, -0.0019901400000000, -0.0098524200000000 ] - [ 0.0017389000000000, -0.0005854200000000, -0.0142242900000000 ] - [ -0.0007507600000000, -0.0024519600000000, -0.0104715600000000 ] - [ 0.0013455200000000, -0.0009897600000000, -0.0130816900000000 ] - [ -0.0006297200000000, -0.0026684100000000, -0.0107282600000000 ] - [ -0.0054833600000000, 0.0122336000000000, 0.0260456400000000 ] - [ -0.0012855800000000, 0.0147730200000000, 0.0287345200000000 ] - [ -0.0022486900000000, 0.0155015900000000, 0.0264533800000000 ] - [ -0.0017152700000000, 0.0120153800000000, 0.0290516400000000 ] - [ 0.0097533400000000, 0.0115636100000000, 0.0270464000000000 ] - [ -0.0075618400000000, 0.0114927100000000, 0.0269381200000000 ] - [ 0.0059219500000000, 0.0108112200000000, 0.0268090300000000 ] - [ -0.0058891000000000, 0.0115239900000000, 0.0267944200000000 ] - [ -0.0029609100000000, 0.0114471100000000, -0.0160272800000000 ] - [ -0.0047534900000000, -0.0037022300000000, 0.0034895400000000 ] - [ 0.0000147400000000, -0.0046358100000000, 0.0002616200000000 ] - [ -0.0025530200000000, -0.0005229600000000, -0.0004428600000000 ] - [ -0.0003125200000000, -0.0146569000000000, 0.0147765600000000 ] - [ -0.0022375600000000, 0.0006607400000000, -0.0053552600000000 ] - [ 0.0021632500000000, 0.0000227800000000, -0.0011896800000000 ] - [ -0.0004195100000000, -0.0022227900000000, -0.0013827400000000 ] - [ -0.0025999700000000, -0.0043221700000000, -0.0031611800000000 ] - [ -0.0107802800000000, 0.0166388200000000, 0.0168382500000000 ] - [ -0.0005844200000000, 0.0003642800000000, -0.0009169100000000 ] - [ 0.0016247300000000, -0.0026182100000000, 0.0001416100000000 ] - [ 0.2051575500000000, 0.0285183700000000, -0.0595939900000000 ] - [ -0.0194108300000000, 0.0216517800000000, -0.0610726600000000 ] - [ 0.0028733800000000, 0.0216502200000000, -0.0608879200000000 ] - [ -0.0051088700000000, 0.0215047100000000, -0.0609545700000000 ] - [ -0.0017675300000000, 0.0093124000000000, 0.0155796600000000 ] - [ -0.0039179100000000, -0.0060286700000000, 0.0011361100000000 ] - [ 0.0028940800000000, -0.0045197800000000, 0.0059787200000000 ] - [ -0.0003081100000000, -0.0037021300000000, 0.0040028800000000 ] - [ -0.0039253800000000, -0.0147565300000000, -0.0080700100000000 ] - [ -0.0054713000000000, 0.0001949400000000, 0.0075754900000000 ] - [ 0.0001353000000000, -0.0013092800000000, 0.0027372800000000 ] - [ -0.0027391900000000, -0.0020896200000000, 0.0042928900000000 ] - [ -0.0037373400000000, 0.0001572700000000, -0.0091193300000000 ] - [ -0.0135885200000000, 0.0018710200000000, -0.0314035000000000 ] - [ -0.0024134800000000, 0.0015496700000000, -0.0108451200000000 ] - [ 0.0010468900000000, -0.0008183200000000, -0.0124501600000000 ] - [ -0.0107809800000000, 0.0000875400000000, 0.0055116800000000 ] - [ -0.0029686500000000, 0.0025863500000000, -0.0142711800000000 ] - [ 0.0020397700000000, 0.0030070000000000, -0.0105011300000000 ] - [ -0.0015999800000000, 0.0006691100000000, -0.0123818400000000 ] - [ -0.0024231600000000, -0.0140920400000000, 0.0300608200000000 ] - [ -0.0029596600000000, -0.0137428200000000, 0.0249405100000000 ] - [ -0.0007353900000000, -0.0149389600000000, 0.0285277800000000 ] - [ -0.0001562400000000, -0.0128544500000000, 0.0268449000000000 ] - [ 0.0088877200000000, -0.0107316100000000, 0.0266559600000000 ] - [ -0.0068244100000000, -0.0115583300000000, 0.0268665800000000 ] - [ 0.0025706200000000, -0.0111232500000000, 0.0267430100000000 ] - [ -0.0040636900000000, -0.0114697200000000, 0.0267549100000000 ] - [ -0.0000168300000000, 0.0012474200000000, -0.0016294000000000 ] - [ -0.0022572000000000, 0.0016223300000000, -0.0002922000000000 ] - [ 0.0000688900000000, 0.0035371000000000, 0.0008629400000000 ] - [ -0.0025845900000000, 0.0006273100000000, -0.0011138500000000 ] - [ 0.0021314100000000, 0.0017316100000000, -0.0004990100000000 ] - [ -0.0000661800000000, 0.0014908700000000, -0.0015470400000000 ] - [ 0.0022054000000000, -0.0012625700000000, -0.0033327400000000 ] - [ -0.0002978000000000, 0.0025071200000000, -0.0006391900000000 ] - [ -0.0001104200000000, 0.0000414900000000, 0.0004878000000000 ] - [ 0.0010960600000000, 0.0025037300000000, -0.0032974700000000 ] - [ 0.0000685700000000, 0.0006669600000000, -0.0003738800000000 ] - [ 0.0010189100000000, 0.0005147400000000, -0.0000097200000000 ] - [ 0.0025464700000000, -0.0217353400000000, -0.0611124600000000 ] - [ -0.0045271300000000, -0.0215017600000000, -0.0609842600000000 ] - [ 0.0018488900000000, -0.0218492300000000, -0.0610569600000000 ] - [ -0.0041025600000000, -0.0216068400000000, -0.0609970800000000 ] - [ 0.0026275800000000, 0.0023366000000000, 0.0023923900000000 ] - [ -0.0000530600000000, 0.0045221500000000, 0.0054975000000000 ] - [ 0.0023244700000000, 0.0042594900000000, 0.0035213900000000 ] - [ 0.0000902700000000, 0.0038376100000000, 0.0052453100000000 ] - [ 0.0001004200000000, 0.0031214300000000, 0.0051382600000000 ] - [ -0.0026310700000000, 0.0015008000000000, 0.0030669400000000 ] - [ -0.0001022600000000, 0.0019265800000000, 0.0049595600000000 ] - [ -0.0023227900000000, 0.0019631600000000, 0.0031800800000000 ]- atom: 93 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0018223100000000, 0.0093510900000000, 0.0069512600000000 ] - [ 0.0015998600000000, 0.0067896200000000, 0.0054593800000000 ] - [ 0.0018318800000000, 0.0044446800000000, 0.0048508100000000 ] - [ 0.0016074700000000, 0.0058600100000000, 0.0049909400000000 ] - [ -0.0047146500000000, -0.0017828900000000, -0.0049159200000000 ] - [ 0.0016411700000000, -0.0014073200000000, -0.0052092500000000 ] - [ -0.0005852500000000, -0.0052088900000000, -0.0056651300000000 ] - [ -0.0023177500000000, -0.0056272600000000, -0.0059488500000000 ] - [ -0.0006223000000000, 0.0066139700000000, -0.0021701000000000 ] - [ 0.0016349800000000, -0.0053102500000000, 0.0043175900000000 ] - [ 0.0016612100000000, -0.0114901100000000, 0.0026627700000000 ] - [ 0.0015724700000000, -0.0074715300000000, 0.0045173000000000 ] - [ -0.0018106100000000, 0.0029695400000000, -0.0043461300000000 ] - [ -0.0012856100000000, 0.0028780900000000, -0.0042839500000000 ] - [ -0.0019961800000000, 0.0012440900000000, -0.0048559000000000 ] - [ -0.0009923800000000, 0.0012105200000000, -0.0047979100000000 ] - [ -0.0115591600000000, -0.0166177900000000, -0.0242857500000000 ] - [ -0.0070542000000000, -0.0200199300000000, -0.0298594300000000 ] - [ -0.0092660300000000, -0.0188696800000000, -0.0246132100000000 ] - [ -0.0107406300000000, -0.0226013400000000, -0.0227890400000000 ] - [ 0.0081570400000000, -0.0173139900000000, -0.0270362400000000 ] - [ 0.0102703000000000, -0.0139343900000000, -0.0217270200000000 ] - [ 0.0108920500000000, -0.0196979200000000, -0.0217409300000000 ] - [ 0.0087209900000000, -0.0163596400000000, -0.0227867300000000 ] - [ 0.0254339500000000, -0.0248793600000000, 0.0661070300000000 ] - [ 0.0291551400000000, -0.0112994200000000, 0.0580987400000000 ] - [ 0.0190897400000000, -0.0271545300000000, 0.0668747500000000 ] - [ 0.0216649700000000, -0.0308953000000000, 0.0650398000000000 ] - [ -0.0310578500000000, -0.0065075300000000, 0.0605147300000000 ] - [ -0.0288478100000000, -0.0202446800000000, 0.0677072000000000 ] - [ -0.0237470800000000, -0.0285415900000000, 0.0662907800000000 ] - [ -0.0213677600000000, -0.0241641000000000, 0.0679708000000000 ] - [ -0.0100460700000000, 0.0183558100000000, -0.0271438400000000 ] - [ -0.0081943600000000, 0.0257584600000000, -0.0289921000000000 ] - [ -0.0106702400000000, 0.0169961500000000, -0.0257503100000000 ] - [ -0.0075146500000000, 0.0135666200000000, -0.0245266100000000 ] - [ 0.0084094200000000, 0.0216326600000000, -0.0265488500000000 ] - [ 0.0095437600000000, 0.0156734500000000, -0.0252151900000000 ] - [ 0.0073670200000000, 0.0110171000000000, -0.0225965200000000 ] - [ 0.0101701000000000, 0.0145264700000000, -0.0238086800000000 ] - [ -0.0239826100000000, 0.0251669700000000, 0.0703830100000000 ] - [ -0.0212355600000000, 0.0237946400000000, 0.0681759600000000 ] - [ -0.0223539100000000, 0.0216530900000000, 0.0691543600000000 ] - [ -0.0221333700000000, 0.0225491300000000, 0.0684467700000000 ] - [ 0.0188194700000000, 0.0268252600000000, 0.0667688500000000 ] - [ 0.0218010200000000, 0.0278179800000000, 0.0690379600000000 ] - [ 0.0195924000000000, 0.0258480700000000, 0.0670961800000000 ] - [ 0.0202480300000000, 0.0251127500000000, 0.0679974600000000 ] - [ 0.0110754000000000, -0.0043169100000000, 0.0035993500000000 ] - [ 0.0027939600000000, -0.0056581000000000, -0.0033154600000000 ] - [ 0.0029476800000000, -0.0000118400000000, -0.0012607900000000 ] - [ 0.0029545300000000, -0.0015652600000000, -0.0020346200000000 ] - [ -0.0103677900000000, 0.0411404300000000, -0.0589901300000000 ] - [ 0.0197620100000000, 0.0418410900000000, -0.0587621300000000 ] - [ 0.0037004400000000, 0.0359273000000000, -0.0605434000000000 ] - [ 0.0008716100000000, 0.0356806500000000, -0.0606252500000000 ] - [ 0.0029054500000000, 0.0012683900000000, -0.0011413400000000 ] - [ 0.0025326900000000, 0.0020263700000000, -0.0013615000000000 ] - [ 0.0029217000000000, 0.0042208200000000, -0.0033314500000000 ] - [ 0.0024946900000000, 0.0031441700000000, -0.0021722300000000 ] - [ 0.0040392900000000, -0.0353239200000000, -0.0610340000000000 ] - [ 0.0007864200000000, -0.0352297400000000, -0.0610723600000000 ] - [ 0.0029959800000000, -0.0349985800000000, -0.0609880300000000 ] - [ 0.0023175300000000, -0.0349565200000000, -0.0610354100000000 ] - [ -0.0003924600000000, -0.0007338000000000, -0.0117543000000000 ] - [ -0.0009212000000000, -0.0016741600000000, -0.0113022700000000 ] - [ -0.0005500000000000, -0.0000135400000000, -0.0120399600000000 ] - [ -0.0005931000000000, 0.0005773800000000, -0.0127179800000000 ] - [ 0.0004740900000000, -0.0032642300000000, -0.0110764800000000 ] - [ 0.0002232800000000, -0.0021544000000000, -0.0117478100000000 ] - [ 0.0003177000000000, -0.0010949100000000, -0.0124438700000000 ] - [ 0.0003574700000000, -0.0015775300000000, -0.0118869500000000 ] - [ 0.0023630600000000, 0.0143011500000000, 0.0279604300000000 ] - [ -0.0027616800000000, 0.0141481600000000, 0.0278455000000000 ] - [ -0.0010109000000000, 0.0141574500000000, 0.0270858000000000 ] - [ 0.0006895600000000, 0.0142386300000000, 0.0270531400000000 ] - [ -0.0010350200000000, 0.0117437200000000, 0.0281923900000000 ] - [ -0.0003792600000000, 0.0110216300000000, 0.0264546200000000 ] - [ -0.0012046300000000, 0.0125127300000000, 0.0261247900000000 ] - [ -0.0008642700000000, 0.0115394100000000, 0.0265768400000000 ] - [ -0.0064023500000000, 0.0027632400000000, -0.0082331800000000 ] - [ -0.0008609700000000, -0.0011041900000000, -0.0015117600000000 ] - [ -0.0011742000000000, -0.0001872200000000, -0.0009644500000000 ] - [ -0.0015457100000000, -0.0016309000000000, -0.0005526700000000 ] - [ 0.0051836900000000, 0.0028454400000000, -0.0090287200000000 ] - [ 0.0004079600000000, -0.0011362800000000, -0.0020895900000000 ] - [ 0.0005122100000000, -0.0004523600000000, -0.0012778000000000 ] - [ 0.0010089800000000, -0.0015002200000000, -0.0012095000000000 ] - [ 0.0006102200000000, -0.0026489800000000, -0.0010803700000000 ] - [ -0.0064897200000000, -0.0011177900000000, 0.0049788500000000 ] - [ 0.0004857500000000, 0.0000910800000000, -0.0001845900000000 ] - [ 0.0004596700000000, 0.0013885500000000, 0.0004050900000000 ] - [ -0.0064872200000000, -0.0469910200000000, -0.0401383400000000 ] - [ -0.0013234200000000, 0.0215777100000000, -0.0598066200000000 ] - [ -0.0013366800000000, 0.0231416900000000, -0.0611699400000000 ] - [ -0.0011930300000000, 0.0221179600000000, -0.0611043400000000 ] - [ -0.0068915500000000, 0.0034820600000000, 0.0131353500000000 ] - [ 0.0024847400000000, -0.0031599300000000, 0.0064052200000000 ] - [ 0.0058526500000000, 0.0018032300000000, 0.0064788800000000 ] - [ 0.0008328200000000, -0.0037726400000000, 0.0048996100000000 ] - [ 0.0071331600000000, 0.0048180600000000, 0.0129934600000000 ] - [ -0.0020653900000000, -0.0014957600000000, 0.0052627700000000 ] - [ -0.0051367300000000, 0.0031614200000000, 0.0047550400000000 ] - [ -0.0008523800000000, -0.0019704100000000, 0.0037230300000000 ] - [ -0.0004519300000000, -0.0002140200000000, -0.0110467400000000 ] - [ -0.0066996700000000, -0.0059978300000000, -0.0139582400000000 ] - [ -0.0007678200000000, 0.0012904200000000, -0.0113652100000000 ] - [ -0.0010209400000000, 0.0027720700000000, -0.0110579500000000 ] - [ 0.0060822400000000, -0.0039490700000000, -0.0124011900000000 ] - [ 0.0002784900000000, 0.0013709600000000, -0.0107646100000000 ] - [ 0.0006137700000000, 0.0042075900000000, -0.0109214200000000 ] - [ 0.0005936900000000, 0.0028615400000000, -0.0111459200000000 ] - [ 0.0002302700000000, -0.0147770000000000, 0.0287226700000000 ] - [ -0.0005361400000000, -0.0148949800000000, 0.0288361500000000 ] - [ 0.0009857800000000, -0.0133351100000000, 0.0274962800000000 ] - [ -0.0016101100000000, -0.0134788700000000, 0.0275670900000000 ] - [ -0.0015095200000000, -0.0164650700000000, 0.0266201300000000 ] - [ -0.0008978200000000, -0.0114337800000000, 0.0270926000000000 ] - [ -0.0008719000000000, -0.0097944000000000, 0.0268645100000000 ] - [ -0.0007587700000000, -0.0109872300000000, 0.0269220100000000 ] - [ 0.0029455100000000, 0.0038789600000000, -0.0058338900000000 ] - [ -0.0016537300000000, 0.0015239700000000, -0.0003401000000000 ] - [ -0.0014407200000000, 0.0007979400000000, 0.0001140400000000 ] - [ -0.0014780200000000, 0.0016626700000000, -0.0002445500000000 ] - [ -0.0028362600000000, 0.0036123100000000, -0.0054976800000000 ] - [ 0.0010611000000000, 0.0016205400000000, -0.0008830500000000 ] - [ 0.0006836400000000, 0.0006445700000000, -0.0007590800000000 ] - [ 0.0008688700000000, 0.0017408900000000, -0.0008446100000000 ] - [ 0.0007825600000000, 0.0001527900000000, 0.0004171000000000 ] - [ 0.0004747600000000, -0.0005169500000000, 0.0005327800000000 ] - [ 0.0007843600000000, 0.0010329600000000, -0.0002867400000000 ] - [ 0.0003623100000000, 0.0019316300000000, -0.0013006000000000 ] - [ -0.0014182700000000, -0.0224129800000000, -0.0614957900000000 ] - [ -0.0011888900000000, -0.0220386700000000, -0.0611168900000000 ] - [ -0.0015307400000000, -0.0212784600000000, -0.0611356600000000 ] - [ -0.0012922300000000, -0.0215866700000000, -0.0610533200000000 ] - [ 0.0014416000000000, 0.0042853100000000, 0.0051698400000000 ] - [ 0.0009908300000000, 0.0037797400000000, 0.0045261200000000 ] - [ 0.0011822400000000, 0.0041315600000000, 0.0037579000000000 ] - [ 0.0011948200000000, 0.0038949800000000, 0.0044021100000000 ] - [ -0.0015081400000000, 0.0024652000000000, 0.0042051400000000 ] - [ -0.0009126200000000, 0.0020399100000000, 0.0035798000000000 ] - [ -0.0012856000000000, 0.0022155700000000, 0.0025784700000000 ] - [ -0.0011544900000000, 0.0020514400000000, 0.0033070600000000 ]- atom: 93 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0016270000000000, 0.0031357600000000, 0.0028062300000000 ] - [ 0.0018536700000000, 0.0057070600000000, 0.0042767400000000 ] - [ 0.0016186300000000, 0.0080496100000000, 0.0048852700000000 ] - [ 0.0018452600000000, 0.0066382400000000, 0.0047421100000000 ] - [ 0.0016465100000000, -0.0023596800000000, -0.0049100000000000 ] - [ -0.0046773200000000, -0.0027432100000000, -0.0046083000000000 ] - [ -0.0024809000000000, 0.0010082000000000, -0.0041507200000000 ] - [ -0.0007241900000000, 0.0014280800000000, -0.0038679600000000 ] - [ 0.0040609900000000, -0.0186103500000000, 0.0112538200000000 ] - [ 0.0018187600000000, -0.0071670800000000, 0.0053999000000000 ] - [ 0.0017868000000000, -0.0009992300000000, 0.0070691600000000 ] - [ 0.0018813800000000, -0.0050304300000000, 0.0052118500000000 ] - [ -0.0012447200000000, 0.0012074100000000, -0.0054526800000000 ] - [ -0.0017660400000000, 0.0013001900000000, -0.0055189300000000 ] - [ -0.0010615700000000, 0.0029372100000000, -0.0049421300000000 ] - [ -0.0020557800000000, 0.0029661700000000, -0.0050044100000000 ] - [ -0.0077324000000000, -0.0188923000000000, -0.0266856900000000 ] - [ -0.0122274200000000, -0.0154744700000000, -0.0211022200000000 ] - [ -0.0100374200000000, -0.0166672300000000, -0.0263659000000000 ] - [ -0.0085508100000000, -0.0129261900000000, -0.0281965800000000 ] - [ 0.0104942500000000, -0.0129990900000000, -0.0200141800000000 ] - [ 0.0084150400000000, -0.0164046200000000, -0.0253692500000000 ] - [ 0.0077821400000000, -0.0106679100000000, -0.0253691700000000 ] - [ 0.0099670400000000, -0.0140047700000000, -0.0243240300000000 ] - [ 0.0146050800000000, -0.0274278400000000, 0.0678349800000000 ] - [ 0.0103871800000000, -0.0407591000000000, 0.0758693500000000 ] - [ 0.0209290800000000, -0.0251915500000000, 0.0670922600000000 ] - [ 0.0183851900000000, -0.0214811100000000, 0.0688978300000000 ] - [ -0.0130964700000000, -0.0392771000000000, 0.0760642200000000 ] - [ -0.0157459600000000, -0.0257135300000000, 0.0688516600000000 ] - [ -0.0208725600000000, -0.0174883200000000, 0.0702578600000000 ] - [ -0.0232152100000000, -0.0218356800000000, 0.0686096300000000 ] - [ -0.0092572200000000, 0.0171536600000000, -0.0238615700000000 ] - [ -0.0110835100000000, 0.0097367200000000, -0.0220055000000000 ] - [ -0.0086379700000000, 0.0185234600000000, -0.0252399800000000 ] - [ -0.0117545200000000, 0.0219160900000000, -0.0264463300000000 ] - [ 0.0102512800000000, 0.0087029500000000, -0.0205796100000000 ] - [ 0.0091464900000000, 0.0146649100000000, -0.0219130600000000 ] - [ 0.0112833200000000, 0.0192952300000000, -0.0245045300000000 ] - [ 0.0085229700000000, 0.0158229700000000, -0.0233080500000000 ] - [ -0.0206374900000000, 0.0208510300000000, 0.0662458100000000 ] - [ -0.0233488800000000, 0.0222105800000000, 0.0684102700000000 ] - [ -0.0222496900000000, 0.0243331400000000, 0.0674399700000000 ] - [ -0.0224570500000000, 0.0234453000000000, 0.0681394500000000 ] - [ 0.0211978900000000, 0.0255241300000000, 0.0672055800000000 ] - [ 0.0182477800000000, 0.0245427300000000, 0.0649732100000000 ] - [ 0.0204316400000000, 0.0264940000000000, 0.0668764600000000 ] - [ 0.0197859500000000, 0.0272241500000000, 0.0659841900000000 ] - [ -0.0057136400000000, -0.0013174800000000, -0.0077656200000000 ] - [ 0.0025752500000000, 0.0000988500000000, -0.0008275600000000 ] - [ 0.0024272100000000, -0.0055160000000000, -0.0028645600000000 ] - [ 0.0024131300000000, -0.0039718100000000, -0.0020936500000000 ] - [ 0.0152798900000000, 0.0290440400000000, -0.0627533300000000 ] - [ -0.0145560600000000, 0.0283040300000000, -0.0629838300000000 ] - [ 0.0013815600000000, 0.0342908000000000, -0.0612301700000000 ] - [ 0.0041735400000000, 0.0345377400000000, -0.0611494200000000 ] - [ 0.0024698300000000, 0.0042681000000000, -0.0029906800000000 ] - [ 0.0028340700000000, 0.0035123200000000, -0.0027670300000000 ] - [ 0.0024531200000000, 0.0013340800000000, -0.0008166700000000 ] - [ 0.0028728500000000, 0.0024002100000000, -0.0019614900000000 ] - [ 0.0010427100000000, -0.0348974900000000, -0.0607484200000000 ] - [ 0.0042617000000000, -0.0349912900000000, -0.0607094800000000 ] - [ 0.0020784500000000, -0.0352195200000000, -0.0607916500000000 ] - [ 0.0027406800000000, -0.0352614900000000, -0.0607442000000000 ] - [ -0.0009200600000000, -0.0002124400000000, -0.0115071000000000 ] - [ -0.0003931300000000, 0.0007264300000000, -0.0119622800000000 ] - [ -0.0007622200000000, -0.0009304500000000, -0.0112196200000000 ] - [ -0.0007222300000000, -0.0015207700000000, -0.0105418100000000 ] - [ 0.0003234800000000, -0.0007527700000000, -0.0118688200000000 ] - [ 0.0005695500000000, -0.0018651500000000, -0.0111892300000000 ] - [ 0.0004793300000000, -0.0029214600000000, -0.0104932400000000 ] - [ 0.0004360500000000, -0.0024402600000000, -0.0110481900000000 ] - [ -0.0028736900000000, 0.0132851700000000, 0.0273124200000000 ] - [ 0.0022548100000000, 0.0134428500000000, 0.0274332800000000 ] - [ 0.0005152500000000, 0.0134403500000000, 0.0281935100000000 ] - [ -0.0011972400000000, 0.0133599000000000, 0.0282274500000000 ] - [ -0.0007897700000000, 0.0108007400000000, 0.0253529100000000 ] - [ -0.0014566000000000, 0.0115201100000000, 0.0270683300000000 ] - [ -0.0006292400000000, 0.0100310100000000, 0.0274076900000000 ] - [ -0.0009734800000000, 0.0110054900000000, 0.0269547800000000 ] - [ 0.0035672400000000, -0.0058011600000000, 0.0071476800000000 ] - [ -0.0020092600000000, -0.0019409600000000, 0.0003687000000000 ] - [ -0.0016924300000000, -0.0028832900000000, -0.0001551300000000 ] - [ -0.0013269500000000, -0.0014321400000000, -0.0005745700000000 ] - [ -0.0036399600000000, -0.0059741000000000, 0.0067025600000000 ] - [ 0.0011751700000000, -0.0019866500000000, -0.0003155400000000 ] - [ 0.0010707900000000, -0.0026915500000000, -0.0010995100000000 ] - [ 0.0005769600000000, -0.0016415900000000, -0.0011749400000000 ] - [ 0.0006209500000000, 0.0011644100000000, 0.0006506000000000 ] - [ 0.0077230700000000, -0.0004206300000000, -0.0054110600000000 ] - [ 0.0007491200000000, -0.0015567500000000, -0.0002330800000000 ] - [ 0.0007710800000000, -0.0028479200000000, -0.0008199700000000 ] - [ 0.0038665100000000, 0.0897183300000000, -0.0812435700000000 ] - [ -0.0013853600000000, 0.0217170900000000, -0.0621290500000000 ] - [ -0.0013661800000000, 0.0202030900000000, -0.0607977300000000 ] - [ -0.0015128100000000, 0.0212243600000000, -0.0608679500000000 ] - [ 0.0094425500000000, -0.0112067300000000, -0.0037351900000000 ] - [ -0.0000419700000000, -0.0044867800000000, 0.0030760200000000 ] - [ -0.0033526200000000, -0.0093999800000000, 0.0030231400000000 ] - [ 0.0016043100000000, -0.0038840200000000, 0.0045800700000000 ] - [ -0.0097427600000000, -0.0089071500000000, -0.0057584300000000 ] - [ -0.0004169400000000, -0.0025010200000000, 0.0020817600000000 ] - [ 0.0026110300000000, -0.0071108600000000, 0.0025961500000000 ] - [ -0.0016221100000000, -0.0020382400000000, 0.0036146900000000 ] - [ -0.0008603800000000, 0.0011597000000000, -0.0121893100000000 ] - [ 0.0054058200000000, 0.0068956100000000, -0.0092269200000000 ] - [ -0.0005457000000000, -0.0003417300000000, -0.0118885700000000 ] - [ -0.0002989000000000, -0.0018123300000000, -0.0121918100000000 ] - [ -0.0052974000000000, 0.0079156700000000, -0.0104613200000000 ] - [ 0.0005152000000000, 0.0026480100000000, -0.0121487400000000 ] - [ 0.0001881500000000, -0.0001753000000000, -0.0120040100000000 ] - [ 0.0002004900000000, 0.0011610000000000, -0.0117838100000000 ] - [ -0.0007196100000000, -0.0128172500000000, 0.0265643600000000 ] - [ 0.0000178100000000, -0.0126978300000000, 0.0264491900000000 ] - [ -0.0014713900000000, -0.0142622300000000, 0.0277894000000000 ] - [ 0.0010896700000000, -0.0141177400000000, 0.0277170700000000 ] - [ -0.0003253300000000, -0.0061169100000000, 0.0269204100000000 ] - [ -0.0009404700000000, -0.0111065900000000, 0.0264428400000000 ] - [ -0.0009616400000000, -0.0127372100000000, 0.0266654700000000 ] - [ -0.0010776200000000, -0.0115544300000000, 0.0266107900000000 ] - [ -0.0057589500000000, -0.0007921100000000, 0.0046356400000000 ] - [ -0.0012206800000000, 0.0015319800000000, -0.0007889800000000 ] - [ -0.0014275300000000, 0.0022615100000000, -0.0012478500000000 ] - [ -0.0013938500000000, 0.0013996000000000, -0.0008835500000000 ] - [ 0.0043738300000000, -0.0004520700000000, 0.0030518400000000 ] - [ 0.0005271700000000, 0.0015150800000000, -0.0015027800000000 ] - [ 0.0008988600000000, 0.0024920900000000, -0.0016344800000000 ] - [ 0.0007173600000000, 0.0014012500000000, -0.0015398200000000 ] - [ 0.0004531900000000, 0.0013150700000000, -0.0008340000000000 ] - [ 0.0007553400000000, 0.0019853000000000, -0.0009547300000000 ] - [ 0.0004510300000000, 0.0004393400000000, -0.0001356600000000 ] - [ 0.0008674500000000, -0.0004495200000000, 0.0008665600000000 ] - [ -0.0012856300000000, -0.0209332100000000, -0.0604861900000000 ] - [ -0.0015166400000000, -0.0213052100000000, -0.0608582600000000 ] - [ -0.0011738200000000, -0.0220611000000000, -0.0608383300000000 ] - [ -0.0014139900000000, -0.0217541400000000, -0.0609200800000000 ] - [ 0.0010028500000000, 0.0033654700000000, 0.0042978000000000 ] - [ 0.0014481300000000, 0.0038703500000000, 0.0049493300000000 ] - [ 0.0012581600000000, 0.0035238900000000, 0.0057183500000000 ] - [ 0.0012438700000000, 0.0037598100000000, 0.0050742500000000 ] - [ -0.0009709000000000, 0.0015391300000000, 0.0031243600000000 ] - [ -0.0015631000000000, 0.0019635000000000, 0.0037523500000000 ] - [ -0.0011910900000000, 0.0017912100000000, 0.0047574500000000 ] - [ -0.0013205400000000, 0.0019545100000000, 0.0040267000000000 ]- atom: 93 displacement: [ 0.0000055737063633, 0.0000000000000000, 0.0099999984466897 ] forces: - [ 0.0015444800000000, 0.0061949800000000, -0.0018891300000000 ] - [ 0.0017064100000000, 0.0062211500000000, 0.0042426600000000 ] - [ 0.0016805000000000, 0.0061558200000000, 0.0040586700000000 ] - [ 0.0017115300000000, 0.0062194400000000, 0.0046156400000000 ] - [ 0.0005315200000000, -0.0019230400000000, -0.0021018500000000 ] - [ -0.0035659500000000, -0.0018860500000000, -0.0024975300000000 ] - [ -0.0005500900000000, -0.0012001500000000, -0.0033164500000000 ] - [ -0.0024271000000000, -0.0011518400000000, -0.0030972200000000 ] - [ 0.0030529200000000, -0.0144564100000000, 0.0189011200000000 ] - [ 0.0016633100000000, -0.0068018300000000, 0.0056362100000000 ] - [ 0.0018067900000000, -0.0077754000000000, 0.0056921400000000 ] - [ 0.0017220700000000, -0.0060188300000000, 0.0051557100000000 ] - [ -0.0015811100000000, 0.0018093800000000, -0.0064772700000000 ] - [ -0.0013947700000000, 0.0018378900000000, -0.0063967300000000 ] - [ -0.0014982400000000, 0.0019954300000000, -0.0058511700000000 ] - [ -0.0014382500000000, 0.0020917500000000, -0.0057434000000000 ] - [ -0.0107981500000000, -0.0178983000000000, -0.0261964600000000 ] - [ -0.0072702900000000, -0.0214683600000000, -0.0294884600000000 ] - [ -0.0104115800000000, -0.0169269400000000, -0.0259737200000000 ] - [ -0.0080795100000000, -0.0126619900000000, -0.0283687100000000 ] - [ 0.0083473600000000, -0.0182055600000000, -0.0276092800000000 ] - [ 0.0101047700000000, -0.0153957300000000, -0.0242987900000000 ] - [ 0.0074414200000000, -0.0098505600000000, -0.0256219300000000 ] - [ 0.0100958700000000, -0.0143114100000000, -0.0238371200000000 ] - [ 0.0178798100000000, -0.0266971300000000, 0.0684832600000000 ] - [ 0.0202701500000000, -0.0291816800000000, 0.0815040500000000 ] - [ 0.0203866100000000, -0.0259812900000000, 0.0676096800000000 ] - [ 0.0193251100000000, -0.0242112500000000, 0.0706947500000000 ] - [ -0.0215918100000000, -0.0263790900000000, 0.0831032400000000 ] - [ -0.0199750600000000, -0.0240035400000000, 0.0697954700000000 ] - [ -0.0214670500000000, -0.0204632600000000, 0.0721554400000000 ] - [ -0.0227812000000000, -0.0226586000000000, 0.0689214400000000 ] - [ -0.0079863600000000, 0.0179841200000000, -0.0248775200000000 ] - [ -0.0158793300000000, 0.0106928100000000, -0.0301623800000000 ] - [ -0.0089327400000000, 0.0180413100000000, -0.0253682400000000 ] - [ -0.0115939600000000, 0.0203191600000000, -0.0263576900000000 ] - [ 0.0147779400000000, 0.0091650800000000, -0.0286079500000000 ] - [ 0.0075025600000000, 0.0155136200000000, -0.0232249800000000 ] - [ 0.0112760500000000, 0.0179209200000000, -0.0245592800000000 ] - [ 0.0086250500000000, 0.0154829300000000, -0.0235001200000000 ] - [ -0.0214684300000000, 0.0236339500000000, 0.0632886800000000 ] - [ -0.0230275600000000, 0.0231591200000000, 0.0675836300000000 ] - [ -0.0219244300000000, 0.0232445800000000, 0.0656496300000000 ] - [ -0.0225776400000000, 0.0230049500000000, 0.0677063700000000 ] - [ 0.0208432500000000, 0.0261685900000000, 0.0662616900000000 ] - [ 0.0191910900000000, 0.0267694800000000, 0.0619841300000000 ] - [ 0.0203069500000000, 0.0261466500000000, 0.0663970700000000 ] - [ 0.0195361300000000, 0.0261324200000000, 0.0639019500000000 ] - [ 0.0086630300000000, 0.0036755600000000, -0.0003780000000000 ] - [ 0.0025384800000000, -0.0018321700000000, -0.0018524100000000 ] - [ 0.0027996300000000, -0.0045605800000000, -0.0037591300000000 ] - [ 0.0027093100000000, -0.0033499200000000, -0.0024869000000000 ] - [ 0.0113482800000000, 0.0319942000000000, -0.0598215600000000 ] - [ -0.0079270100000000, 0.0324119100000000, -0.0597901200000000 ] - [ 0.0019524500000000, 0.0347582800000000, -0.0614996900000000 ] - [ 0.0033373700000000, 0.0348083900000000, -0.0614457900000000 ] - [ 0.0018909700000000, 0.0016453000000000, 0.0005735100000000 ] - [ 0.0028660000000000, 0.0025888900000000, -0.0017235800000000 ] - [ 0.0023390300000000, 0.0019327600000000, -0.0007406400000000 ] - [ 0.0027180000000000, 0.0026662600000000, -0.0018223600000000 ] - [ 0.0013575200000000, -0.0353279100000000, -0.0602758000000000 ] - [ 0.0034783700000000, -0.0353427900000000, -0.0602788400000000 ] - [ 0.0020917400000000, -0.0351890100000000, -0.0605224400000000 ] - [ 0.0029069800000000, -0.0351831500000000, -0.0604544500000000 ] - [ -0.0006783000000000, -0.0006083600000000, -0.0110541400000000 ] - [ -0.0010794300000000, -0.0004861200000000, -0.0098339500000000 ] - [ -0.0006259000000000, -0.0006324200000000, -0.0112406800000000 ] - [ -0.0008664000000000, -0.0013287800000000, -0.0098332400000000 ] - [ 0.0008422600000000, -0.0021665300000000, -0.0096311900000000 ] - [ 0.0004159700000000, -0.0021464100000000, -0.0109166200000000 ] - [ 0.0005814800000000, -0.0026981700000000, -0.0098657400000000 ] - [ 0.0003595400000000, -0.0021444400000000, -0.0111004000000000 ] - [ 0.0016917000000000, 0.0145412800000000, 0.0283871700000000 ] - [ -0.0016478400000000, 0.0144460600000000, 0.0282132400000000 ] - [ 0.0009456500000000, 0.0134517500000000, 0.0281950000000000 ] - [ -0.0016004500000000, 0.0134668800000000, 0.0281892700000000 ] - [ -0.0011648900000000, 0.0140438300000000, 0.0286887300000000 ] - [ -0.0008843800000000, 0.0112125200000000, 0.0270252700000000 ] - [ -0.0007713200000000, 0.0102073400000000, 0.0272695700000000 ] - [ -0.0008622100000000, 0.0110922900000000, 0.0268981600000000 ] - [ 0.0056122000000000, -0.0106549600000000, 0.0066564200000000 ] - [ -0.0018328800000000, -0.0016613000000000, -0.0001490800000000 ] - [ -0.0013132700000000, -0.0002470100000000, -0.0015999400000000 ] - [ -0.0014318700000000, -0.0011738700000000, -0.0008140000000000 ] - [ -0.0056792300000000, -0.0106323000000000, 0.0054646900000000 ] - [ 0.0011359700000000, -0.0017254100000000, -0.0007597500000000 ] - [ 0.0006046600000000, -0.0003267400000000, -0.0023445300000000 ] - [ 0.0008202800000000, -0.0012193800000000, -0.0014674200000000 ] - [ 0.0008470800000000, -0.0002002100000000, -0.0000362300000000 ] - [ -0.0050121300000000, 0.0042617000000000, 0.0012534500000000 ] - [ 0.0005977000000000, -0.0011621600000000, -0.0005183600000000 ] - [ 0.0005075600000000, -0.0021415700000000, -0.0014516500000000 ] - [ -0.0036531300000000, 0.0418336300000000, -0.1303055900000000 ] - [ -0.0012709100000000, 0.0228276800000000, -0.0623532100000000 ] - [ -0.0014572900000000, 0.0214878200000000, -0.0617843100000000 ] - [ -0.0013809100000000, 0.0215540100000000, -0.0610978000000000 ] - [ -0.0027381900000000, -0.0000925900000000, 0.0032668400000000 ] - [ 0.0011612100000000, -0.0040901100000000, 0.0038769800000000 ] - [ -0.0029970300000000, -0.0083982200000000, 0.0021753200000000 ] - [ 0.0014916600000000, -0.0038673800000000, 0.0045335400000000 ] - [ 0.0028728500000000, 0.0016210600000000, 0.0016603000000000 ] - [ -0.0011695100000000, -0.0022761600000000, 0.0027092100000000 ] - [ 0.0020301400000000, -0.0059128200000000, 0.0016465400000000 ] - [ -0.0014242500000000, -0.0019998700000000, 0.0034618400000000 ] - [ -0.0009259300000000, 0.0005714300000000, -0.0124439000000000 ] - [ 0.0122668900000000, 0.0021517800000000, -0.0065330200000000 ] - [ -0.0007149100000000, 0.0003420700000000, -0.0118566900000000 ] - [ -0.0002228100000000, -0.0001283700000000, -0.0123408000000000 ] - [ -0.0124555300000000, 0.0038750600000000, -0.0069159200000000 ] - [ 0.0007789200000000, 0.0021192500000000, -0.0122209300000000 ] - [ -0.0000415600000000, 0.0014383400000000, -0.0121705000000000 ] - [ 0.0004360100000000, 0.0018353000000000, -0.0117141900000000 ] - [ -0.0028538000000000, -0.0128361300000000, 0.0275007300000000 ] - [ 0.0030773400000000, -0.0125389500000000, 0.0275031100000000 ] - [ -0.0012854000000000, -0.0138930800000000, 0.0275983700000000 ] - [ 0.0008974600000000, -0.0139025800000000, 0.0276303000000000 ] - [ -0.0002125900000000, -0.0056534300000000, 0.0343653200000000 ] - [ -0.0009175900000000, -0.0112993200000000, 0.0265882300000000 ] - [ -0.0009473100000000, -0.0118763500000000, 0.0268710500000000 ] - [ -0.0009569900000000, -0.0113712300000000, 0.0266884100000000 ] - [ -0.0047420900000000, 0.0000233800000000, 0.0038430900000000 ] - [ -0.0012803400000000, 0.0015833900000000, -0.0006202100000000 ] - [ -0.0018184900000000, 0.0034314300000000, 0.0006178600000000 ] - [ -0.0012780100000000, 0.0017752900000000, -0.0004602000000000 ] - [ 0.0035796700000000, 0.0002862000000000, 0.0026950300000000 ] - [ 0.0006410900000000, 0.0016152200000000, -0.0012485600000000 ] - [ 0.0011564600000000, 0.0038933500000000, 0.0004190400000000 ] - [ 0.0006619800000000, 0.0017579800000000, -0.0011091200000000 ] - [ 0.0004421200000000, 0.0006640400000000, -0.0000907300000000 ] - [ 0.0013820300000000, -0.0003069600000000, 0.0022075000000000 ] - [ 0.0005718800000000, 0.0006413500000000, -0.0000470000000000 ] - [ 0.0008852700000000, 0.0000522600000000, 0.0008558600000000 ] - [ -0.0012232400000000, -0.0211662100000000, -0.0593514700000000 ] - [ -0.0013487300000000, -0.0215433600000000, -0.0606568800000000 ] - [ -0.0012821800000000, -0.0215210000000000, -0.0602808600000000 ] - [ -0.0013379400000000, -0.0216041200000000, -0.0607897500000000 ] - [ 0.0013615800000000, 0.0037195100000000, 0.0067076000000000 ] - [ 0.0012361500000000, 0.0037532800000000, 0.0052716900000000 ] - [ 0.0016560200000000, 0.0030953600000000, 0.0062027300000000 ] - [ 0.0012665000000000, 0.0036892200000000, 0.0051062600000000 ] - [ -0.0014938600000000, 0.0019630800000000, 0.0055459100000000 ] - [ -0.0012472600000000, 0.0019346600000000, 0.0042731000000000 ] - [ -0.0015746800000000, 0.0013908100000000, 0.0052325500000000 ] - [ -0.0012915300000000, 0.0018902200000000, 0.0040722400000000 ]- atom: 93 displacement: [ -0.0000055737063633, 0.0000000000000000, -0.0099999984466897 ] forces: - [ 0.0019076200000000, 0.0063182700000000, 0.0115879900000000 ] - [ 0.0017467800000000, 0.0062920500000000, 0.0054875800000000 ] - [ 0.0017742100000000, 0.0063514400000000, 0.0056699100000000 ] - [ 0.0017408100000000, 0.0062922100000000, 0.0051108300000000 ] - [ -0.0036053100000000, -0.0022291900000000, -0.0077310000000000 ] - [ 0.0005334700000000, -0.0022636900000000, -0.0073356800000000 ] - [ -0.0025074900000000, -0.0030019100000000, -0.0065088700000000 ] - [ -0.0006174700000000, -0.0030545200000000, -0.0067353800000000 ] - [ 0.0004037700000000, 0.0026934700000000, -0.0097142200000000 ] - [ 0.0017892600000000, -0.0056933500000000, 0.0040803000000000 ] - [ 0.0016461900000000, -0.0047583100000000, 0.0040190100000000 ] - [ 0.0017302600000000, -0.0065077300000000, 0.0045631200000000 ] - [ -0.0014777100000000, 0.0023597000000000, -0.0033362100000000 ] - [ -0.0016503200000000, 0.0023339500000000, -0.0034185600000000 ] - [ -0.0015593700000000, 0.0021764400000000, -0.0039649400000000 ] - [ -0.0016059600000000, 0.0020780400000000, -0.0040740900000000 ] - [ -0.0085016800000000, -0.0176105400000000, -0.0247771400000000 ] - [ -0.0120069700000000, -0.0140361700000000, -0.0214719400000000 ] - [ -0.0088957300000000, -0.0186065200000000, -0.0250038600000000 ] - [ -0.0112029700000000, -0.0228569700000000, -0.0226241200000000 ] - [ 0.0103182200000000, -0.0121093600000000, -0.0194411100000000 ] - [ 0.0085774700000000, -0.0149375300000000, -0.0227759300000000 ] - [ 0.0112305900000000, -0.0204935200000000, -0.0214796600000000 ] - [ 0.0085906900000000, -0.0160503300000000, -0.0232504500000000 ] - [ 0.0221955000000000, -0.0256253200000000, 0.0654415300000000 ] - [ 0.0198012500000000, -0.0230971800000000, 0.0521780600000000 ] - [ 0.0196319300000000, -0.0263627000000000, 0.0663613900000000 ] - [ 0.0207212800000000, -0.0281528600000000, 0.0632508500000000 ] - [ -0.0230888500000000, -0.0195680200000000, 0.0531955600000000 ] - [ -0.0246838900000000, -0.0219696500000000, 0.0667309800000000 ] - [ -0.0231439900000000, -0.0255714200000000, 0.0643859400000000 ] - [ -0.0218055700000000, -0.0233532900000000, 0.0676444300000000 ] - [ -0.0113212700000000, 0.0175321600000000, -0.0261362400000000 ] - [ -0.0033508100000000, 0.0248698200000000, -0.0208778800000000 ] - [ -0.0103757900000000, 0.0174737200000000, -0.0256235600000000 ] - [ -0.0076724900000000, 0.0151687600000000, -0.0246205100000000 ] - [ 0.0038515000000000, 0.0212226100000000, -0.0185181600000000 ] - [ 0.0111869300000000, 0.0148287300000000, -0.0238992800000000 ] - [ 0.0073788700000000, 0.0123926700000000, -0.0225254400000000 ] - [ 0.0100650600000000, 0.0148604300000000, -0.0236024500000000 ] - [ -0.0231492900000000, 0.0223797900000000, 0.0733105900000000 ] - [ -0.0215578200000000, 0.0228539400000000, 0.0689864300000000 ] - [ -0.0226791200000000, 0.0227549000000000, 0.0709238800000000 ] - [ -0.0220142100000000, 0.0229992800000000, 0.0688641300000000 ] - [ 0.0191738200000000, 0.0261770300000000, 0.0677097600000000 ] - [ 0.0208588100000000, 0.0255735000000000, 0.0720156200000000 ] - [ 0.0197149400000000, 0.0261911300000000, 0.0675732500000000 ] - [ 0.0205016900000000, 0.0262020300000000, 0.0700727700000000 ] - [ -0.0032983400000000, -0.0092411900000000, -0.0038162700000000 ] - [ 0.0028375700000000, -0.0037342100000000, -0.0022917100000000 ] - [ 0.0025791200000000, -0.0009654500000000, -0.0003767200000000 ] - [ 0.0026635700000000, -0.0021783500000000, -0.0016433600000000 ] - [ -0.0064625200000000, 0.0382528900000000, -0.0618598500000000 ] - [ 0.0132218600000000, 0.0378294200000000, -0.0618863800000000 ] - [ 0.0031330700000000, 0.0354636600000000, -0.0602769400000000 ] - [ 0.0017126300000000, 0.0354117200000000, -0.0603314700000000 ] - [ 0.0034892200000000, 0.0038890300000000, -0.0047086400000000 ] - [ 0.0025030600000000, 0.0029414900000000, -0.0023985700000000 ] - [ 0.0030385000000000, 0.0036130000000000, -0.0034005500000000 ] - [ 0.0026519800000000, 0.0028715400000000, -0.0023076300000000 ] - [ 0.0037289300000000, -0.0348916800000000, -0.0615072300000000 ] - [ 0.0015716200000000, -0.0348762500000000, -0.0615038300000000 ] - [ 0.0029877500000000, -0.0350290400000000, -0.0612582000000000 ] - [ 0.0021526300000000, -0.0350341200000000, -0.0613269700000000 ] - [ -0.0006399900000000, -0.0003475300000000, -0.0122048500000000 ] - [ -0.0002453300000000, -0.0004711000000000, -0.0134256500000000 ] - [ -0.0006922200000000, -0.0003218200000000, -0.0120163500000000 ] - [ -0.0004575000000000, 0.0003690500000000, -0.0134157700000000 ] - [ -0.0000338200000000, -0.0018600000000000, -0.0133106500000000 ] - [ 0.0003844300000000, -0.0018814800000000, -0.0120216500000000 ] - [ 0.0002243500000000, -0.0013324300000000, -0.0130623100000000 ] - [ 0.0004405500000000, -0.0018825200000000, -0.0118359700000000 ] - [ -0.0021884200000000, 0.0130544700000000, 0.0268945300000000 ] - [ 0.0011328500000000, 0.0131532000000000, 0.0270702100000000 ] - [ -0.0014352700000000, 0.0141518000000000, 0.0270889900000000 ] - [ 0.0010860600000000, 0.0141402000000000, 0.0270956500000000 ] - [ -0.0006689600000000, 0.0085382600000000, 0.0248590300000000 ] - [ -0.0009506200000000, 0.0113290200000000, 0.0264989300000000 ] - [ -0.0010674800000000, 0.0123365100000000, 0.0262583300000000 ] - [ -0.0009759300000000, 0.0114526600000000, 0.0266300000000000 ] - [ -0.0083881500000000, 0.0074955300000000, -0.0077238800000000 ] - [ -0.0010347900000000, -0.0013816400000000, -0.0009927500000000 ] - [ -0.0015565700000000, -0.0028189200000000, 0.0004800200000000 ] - [ -0.0014407300000000, -0.0018889500000000, -0.0003094600000000 ] - [ 0.0071716200000000, 0.0073957400000000, -0.0077885100000000 ] - [ 0.0004460900000000, -0.0013953000000000, -0.0016404300000000 ] - [ 0.0009799300000000, -0.0028118000000000, -0.0000344300000000 ] - [ 0.0007662800000000, -0.0019194700000000, -0.0009137900000000 ] - [ 0.0003774200000000, -0.0012850700000000, -0.0003964200000000 ] - [ 0.0062333400000000, -0.0057420500000000, -0.0017198700000000 ] - [ 0.0006308800000000, -0.0002996500000000, 0.0000951700000000 ] - [ 0.0007149800000000, 0.0006822600000000, 0.0010229600000000 ] - [ 0.0009472900000000, 0.0007361300000000, 0.0094032600000000 ] - [ -0.0014356800000000, 0.0205050300000000, -0.0595702100000000 ] - [ -0.0012516200000000, 0.0218595400000000, -0.0601836600000000 ] - [ -0.0013247200000000, 0.0217900800000000, -0.0608733300000000 ] - [ 0.0051848300000000, -0.0075445300000000, 0.0062649300000000 ] - [ 0.0012968500000000, -0.0035493100000000, 0.0056229400000000 ] - [ 0.0054987500000000, 0.0007943100000000, 0.0073339800000000 ] - [ 0.0009492300000000, -0.0037909700000000, 0.0049475200000000 ] - [ -0.0053558400000000, -0.0056209800000000, 0.0057382800000000 ] - [ -0.0013197200000000, -0.0017270700000000, 0.0046467000000000 ] - [ -0.0045557000000000, 0.0019389700000000, 0.0057142000000000 ] - [ -0.0010521000000000, -0.0020199500000000, 0.0038740100000000 ] - [ -0.0003917400000000, 0.0003792400000000, -0.0107899500000000 ] - [ -0.0136992000000000, -0.0012099200000000, -0.0167051700000000 ] - [ -0.0006046400000000, 0.0006210400000000, -0.0113938700000000 ] - [ -0.0011032100000000, 0.0011008700000000, -0.0109073400000000 ] - [ 0.0133734000000000, 0.0001269000000000, -0.0160100200000000 ] - [ 0.0000240400000000, 0.0019022900000000, -0.0106900900000000 ] - [ 0.0008480300000000, 0.0026053500000000, -0.0107568600000000 ] - [ 0.0003666300000000, 0.0022006200000000, -0.0112152500000000 ] - [ 0.0023713000000000, -0.0147756800000000, 0.0277959500000000 ] - [ -0.0036001700000000, -0.0150741700000000, 0.0277962700000000 ] - [ 0.0007974000000000, -0.0137085500000000, 0.0276894400000000 ] - [ -0.0014145800000000, -0.0137012700000000, 0.0276587200000000 ] - [ -0.0016426000000000, -0.0169851600000000, 0.0190020100000000 ] - [ -0.0009204600000000, -0.0112434200000000, 0.0269464600000000 ] - [ -0.0008929500000000, -0.0106535700000000, 0.0266567500000000 ] - [ -0.0008793300000000, -0.0111681800000000, 0.0268430400000000 ] - [ 0.0019036600000000, 0.0030447300000000, -0.0050105400000000 ] - [ -0.0015939400000000, 0.0014736700000000, -0.0005024900000000 ] - [ -0.0010491800000000, -0.0003815300000000, -0.0017406100000000 ] - [ -0.0015948100000000, 0.0012864500000000, -0.0006602500000000 ] - [ -0.0020233700000000, 0.0028587400000000, -0.0051136000000000 ] - [ 0.0009469900000000, 0.0015193000000000, -0.0011317600000000 ] - [ 0.0004244100000000, -0.0007658200000000, -0.0027984200000000 ] - [ 0.0009258700000000, 0.0013813200000000, -0.0012676600000000 ] - [ 0.0007883100000000, 0.0007993800000000, -0.0003277300000000 ] - [ -0.0001627300000000, 0.0017747800000000, -0.0026373100000000 ] - [ 0.0006576800000000, 0.0008285200000000, -0.0003785800000000 ] - [ 0.0003383100000000, 0.0014226000000000, -0.0012899300000000 ] - [ -0.0014841400000000, -0.0221762100000000, -0.0626237300000000 ] - [ -0.0013575500000000, -0.0218021600000000, -0.0613149000000000 ] - [ -0.0014264600000000, -0.0218190700000000, -0.0616891800000000 ] - [ -0.0013687700000000, -0.0217377600000000, -0.0611809300000000 ] - [ 0.0010846600000000, 0.0039371000000000, 0.0027668600000000 ] - [ 0.0012058200000000, 0.0039009500000000, 0.0042035900000000 ] - [ 0.0007914600000000, 0.0045602100000000, 0.0032757500000000 ] - [ 0.0011751600000000, 0.0039693900000000, 0.0043698300000000 ] - [ -0.0009893100000000, 0.0020553600000000, 0.0017865800000000 ] - [ -0.0012310800000000, 0.0020811000000000, 0.0030594800000000 ] - [ -0.0009086000000000, 0.0026262200000000, 0.0021023000000000 ] - [ -0.0011863600000000, 0.0021276800000000, 0.0032605600000000 ]- atom: 97 displacement: [ 0.0099999993466229, 0.0000000000000000, -0.0000036149054082 ] forces: - [ 0.0030308400000000, 0.0065768800000000, 0.0050409300000000 ] - [ 0.0003053000000000, 0.0061928000000000, 0.0044744100000000 ] - [ 0.0028871100000000, 0.0059497700000000, 0.0047558400000000 ] - [ 0.0006149100000000, 0.0063093400000000, 0.0047031900000000 ] - [ -0.0007812900000000, -0.0040554500000000, -0.0044396400000000 ] - [ -0.0029109500000000, -0.0020493200000000, -0.0047308000000000 ] - [ 0.0148033000000000, 0.0009942100000000, -0.0046830200000000 ] - [ -0.0043899400000000, -0.0027810500000000, -0.0043272900000000 ] - [ 0.0044373200000000, -0.0038306100000000, 0.0042577900000000 ] - [ 0.0000455900000000, -0.0073456100000000, 0.0052179000000000 ] - [ 0.0136685900000000, -0.0047142700000000, 0.0088259000000000 ] - [ -0.0011686200000000, -0.0053797000000000, 0.0051157200000000 ] - [ -0.0006170100000000, 0.0025381000000000, -0.0048079700000000 ] - [ -0.0024735700000000, 0.0021695300000000, -0.0051698700000000 ] - [ -0.0007573900000000, 0.0018712200000000, -0.0052440200000000 ] - [ -0.0022431900000000, 0.0019268700000000, -0.0050758100000000 ] - [ -0.0108446200000000, -0.0186989400000000, -0.0274452500000000 ] - [ -0.0089013900000000, -0.0175912600000000, -0.0241204300000000 ] - [ -0.0105521400000000, -0.0166950600000000, -0.0283445500000000 ] - [ -0.0096365300000000, -0.0184178900000000, -0.0240659200000000 ] - [ 0.0115968100000000, -0.0160718100000000, -0.0256682500000000 ] - [ 0.0075876200000000, -0.0155014800000000, -0.0232642300000000 ] - [ 0.0124149200000000, -0.0155966500000000, -0.0243934600000000 ] - [ 0.0072893900000000, -0.0152817100000000, -0.0233266600000000 ] - [ 0.0097336500000000, -0.0313119800000000, 0.0652696700000000 ] - [ 0.0130467700000000, -0.0238803400000000, 0.0716637000000000 ] - [ 0.0195225100000000, -0.0242780200000000, 0.0663192600000000 ] - [ 0.0174740500000000, -0.0279881400000000, 0.0692770800000000 ] - [ 0.0000391600000000, -0.0193009700000000, 0.0741369600000000 ] - [ -0.0279546300000000, -0.0218028800000000, 0.0680673600000000 ] - [ -0.0165902600000000, -0.0232449900000000, 0.0701207100000000 ] - [ -0.0250519300000000, -0.0226117800000000, 0.0683106500000000 ] - [ -0.0169030900000000, 0.0149588800000000, -0.0217918500000000 ] - [ -0.0165314500000000, 0.0194176700000000, -0.0291807500000000 ] - [ -0.0099845300000000, 0.0194779000000000, -0.0238517300000000 ] - [ -0.0121832700000000, 0.0148438900000000, -0.0273857500000000 ] - [ 0.0263155900000000, 0.0187729800000000, -0.0240448100000000 ] - [ 0.0053000500000000, 0.0160662100000000, -0.0235611300000000 ] - [ 0.0135652000000000, 0.0139340800000000, -0.0235037200000000 ] - [ 0.0068892300000000, 0.0154394500000000, -0.0236722100000000 ] - [ -0.0197297000000000, 0.0215209700000000, 0.0680863300000000 ] - [ -0.0242911700000000, 0.0226503800000000, 0.0682139000000000 ] - [ -0.0193547100000000, 0.0229128800000000, 0.0662700400000000 ] - [ -0.0245231000000000, 0.0228304500000000, 0.0682925700000000 ] - [ 0.0195004500000000, 0.0251884600000000, 0.0676062600000000 ] - [ 0.0199678900000000, 0.0271023500000000, 0.0653043600000000 ] - [ 0.0202649100000000, 0.0267477900000000, 0.0679824600000000 ] - [ 0.0190681100000000, 0.0254809800000000, 0.0640401900000000 ] - [ 0.0044998000000000, 0.0009208900000000, -0.0004915400000000 ] - [ 0.0036019900000000, -0.0028865800000000, -0.0023567300000000 ] - [ -0.0013562500000000, -0.0051765100000000, 0.0007034400000000 ] - [ 0.0034143600000000, -0.0027584100000000, -0.0026003300000000 ] - [ 0.0176384900000000, 0.0476447200000000, -0.0477276700000000 ] - [ 0.0070304800000000, 0.0349260800000000, -0.0614595700000000 ] - [ 0.0006590700000000, 0.0352243500000000, -0.0608519900000000 ] - [ 0.0048148600000000, 0.0353100700000000, -0.0611002300000000 ] - [ 0.0039486700000000, 0.0043960500000000, -0.0047954500000000 ] - [ 0.0033716900000000, 0.0026471800000000, -0.0022515000000000 ] - [ 0.0019043800000000, 0.0029052600000000, -0.0015998200000000 ] - [ 0.0031612900000000, 0.0027261800000000, -0.0021339600000000 ] - [ 0.0018157600000000, -0.0347584500000000, -0.0608496000000000 ] - [ 0.0038341500000000, -0.0351420500000000, -0.0607591800000000 ] - [ 0.0007520200000000, -0.0355414900000000, -0.0609313600000000 ] - [ 0.0042892100000000, -0.0350532500000000, -0.0606401000000000 ] - [ -0.0004828800000000, -0.0004635200000000, -0.0113653100000000 ] - [ -0.0007732200000000, -0.0004712300000000, -0.0115934800000000 ] - [ -0.0005889300000000, -0.0009470200000000, -0.0110798500000000 ] - [ -0.0006964600000000, -0.0001660000000000, -0.0114768900000000 ] - [ -0.0001934900000000, -0.0022033100000000, -0.0111794800000000 ] - [ 0.0009523600000000, -0.0019970000000000, -0.0113959700000000 ] - [ -0.0001802300000000, -0.0021814700000000, -0.0107078700000000 ] - [ 0.0009486400000000, -0.0019997200000000, -0.0113292800000000 ] - [ -0.0005231800000000, 0.0140250200000000, 0.0279185100000000 ] - [ 0.0005042700000000, 0.0138840800000000, 0.0275896600000000 ] - [ -0.0012694900000000, 0.0135078700000000, 0.0279683700000000 ] - [ 0.0006552100000000, 0.0139161000000000, 0.0276078000000000 ] - [ -0.0028820000000000, 0.0112100500000000, 0.0267788800000000 ] - [ 0.0007404600000000, 0.0113008100000000, 0.0268706000000000 ] - [ -0.0026665600000000, 0.0114095000000000, 0.0266029300000000 ] - [ 0.0008970600000000, 0.0110676600000000, 0.0269497600000000 ] - [ -0.0040734100000000, -0.0027270300000000, -0.0009282900000000 ] - [ -0.0006649200000000, -0.0016436400000000, -0.0007625600000000 ] - [ -0.0022498700000000, -0.0011060700000000, -0.0007281800000000 ] - [ -0.0009380400000000, -0.0014433100000000, -0.0008894000000000 ] - [ 0.0009239100000000, -0.0010448900000000, -0.0025027100000000 ] - [ 0.0018359700000000, -0.0028820100000000, 0.0008354300000000 ] - [ 0.0007114300000000, -0.0010594000000000, -0.0019941400000000 ] - [ 0.0010506800000000, -0.0015043800000000, -0.0009677600000000 ] - [ 0.0013926800000000, 0.0020077400000000, 0.0014669700000000 ] - [ 0.0012537200000000, -0.0023092700000000, -0.0015675400000000 ] - [ 0.0023552100000000, -0.0022091100000000, 0.0027146600000000 ] - [ 0.0008507200000000, -0.0007151400000000, -0.0010910500000000 ] - [ 0.0016141600000000, 0.0135281300000000, -0.0649337400000000 ] - [ 0.0037800100000000, 0.0229389700000000, -0.0610534800000000 ] - [ -0.0030691900000000, 0.0262502700000000, -0.0652078200000000 ] - [ 0.0001796900000000, 0.0212828100000000, -0.0607128000000000 ] - [ -0.0835944200000000, -0.0243826500000000, -0.0096591400000000 ] - [ 0.0027115700000000, -0.0037168400000000, 0.0049515500000000 ] - [ -0.0002117800000000, -0.0038916900000000, 0.0042386900000000 ] - [ 0.0021421700000000, -0.0035026200000000, 0.0049176900000000 ] - [ 0.0047481300000000, -0.0057989900000000, 0.0027981600000000 ] - [ 0.0024126300000000, -0.0015534700000000, 0.0020920400000000 ] - [ -0.0009204500000000, -0.0015757000000000, 0.0033997100000000 ] - [ -0.0010799400000000, -0.0023037200000000, 0.0035726500000000 ] - [ 0.0001407600000000, 0.0018672000000000, -0.0121212000000000 ] - [ 0.0000899500000000, -0.0007749900000000, -0.0119916900000000 ] - [ 0.0022973800000000, -0.0039530000000000, -0.0135104100000000 ] - [ 0.0028652600000000, 0.0037361800000000, -0.0119175800000000 ] - [ -0.0042791700000000, 0.0080767000000000, -0.0135604700000000 ] - [ 0.0015128300000000, 0.0019767200000000, -0.0113926000000000 ] - [ -0.0055539300000000, 0.0011685400000000, -0.0128374700000000 ] - [ 0.0013952900000000, 0.0020489600000000, -0.0113107500000000 ] - [ 0.0106308400000000, -0.0082463100000000, 0.0168854800000000 ] - [ 0.0029998900000000, -0.0139502900000000, 0.0280573400000000 ] - [ -0.0018055800000000, -0.0134673800000000, 0.0273518600000000 ] - [ 0.0017289500000000, -0.0134278300000000, 0.0277353300000000 ] - [ 0.0022103000000000, -0.0168147200000000, 0.0324068100000000 ] - [ 0.0030873200000000, -0.0107883900000000, 0.0263644900000000 ] - [ -0.0020114300000000, -0.0061568100000000, 0.0289056200000000 ] - [ 0.0006808800000000, -0.0115019900000000, 0.0264951500000000 ] - [ -0.0023563100000000, 0.0021249700000000, 0.0002317200000000 ] - [ -0.0008708400000000, 0.0017255100000000, -0.0007566600000000 ] - [ -0.0068241100000000, 0.0006059500000000, 0.0040868100000000 ] - [ -0.0006829500000000, 0.0014657500000000, -0.0009607000000000 ] - [ 0.0010173100000000, 0.0025546700000000, -0.0002706300000000 ] - [ 0.0009945100000000, 0.0013330200000000, -0.0013685700000000 ] - [ 0.0028059300000000, 0.0012185700000000, 0.0024380700000000 ] - [ 0.0013468500000000, 0.0003061200000000, -0.0026328000000000 ] - [ 0.0009642200000000, 0.0022492000000000, -0.0020172900000000 ] - [ 0.0015744800000000, -0.0006646300000000, 0.0020387700000000 ] - [ 0.0005496900000000, 0.0007674700000000, -0.0005775900000000 ] - [ 0.0009659500000000, 0.0005910100000000, 0.0006009100000000 ] - [ -0.0027513500000000, -0.0218934100000000, -0.0608476100000000 ] - [ -0.0000812400000000, -0.0214407300000000, -0.0609708800000000 ] - [ -0.0024529800000000, -0.0216339300000000, -0.0605544500000000 ] - [ -0.0002216900000000, -0.0216469700000000, -0.0609405200000000 ] - [ 0.0006792900000000, 0.0041300400000000, 0.0048949100000000 ] - [ 0.0017998000000000, 0.0037595100000000, 0.0048512900000000 ] - [ 0.0005019100000000, 0.0037425200000000, 0.0050608400000000 ] - [ 0.0018852600000000, 0.0036163400000000, 0.0048912000000000 ] - [ -0.0013894500000000, 0.0018462800000000, 0.0038202600000000 ] - [ -0.0009991400000000, 0.0023389700000000, 0.0038175700000000 ] - [ -0.0013413500000000, 0.0018124000000000, 0.0039293700000000 ] - [ -0.0010803100000000, 0.0019407900000000, 0.0041202300000000 ]- atom: 97 displacement: [ -0.0099999993466229, 0.0000000000000000, 0.0000036149054082 ] forces: - [ 0.0003842000000000, 0.0059186900000000, 0.0046833100000000 ] - [ 0.0031478800000000, 0.0063115700000000, 0.0052377600000000 ] - [ 0.0005446600000000, 0.0065736600000000, 0.0049628000000000 ] - [ 0.0028384900000000, 0.0062047800000000, 0.0050116300000000 ] - [ -0.0022171400000000, -0.0000788500000000, -0.0053858500000000 ] - [ -0.0001404400000000, -0.0021194200000000, -0.0050798600000000 ] - [ -0.0169295400000000, -0.0057318200000000, -0.0050462900000000 ] - [ 0.0013582300000000, -0.0013860800000000, -0.0054874900000000 ] - [ -0.0010350300000000, -0.0086449800000000, 0.0054422400000000 ] - [ 0.0034062000000000, -0.0051679400000000, 0.0044999400000000 ] - [ -0.0105828600000000, -0.0082730500000000, 0.0006995800000000 ] - [ 0.0046020500000000, -0.0071245200000000, 0.0046047900000000 ] - [ -0.0023914000000000, 0.0016047600000000, -0.0050101500000000 ] - [ -0.0005797600000000, 0.0019991800000000, -0.0046351500000000 ] - [ -0.0022780300000000, 0.0023152300000000, -0.0045584600000000 ] - [ -0.0008077500000000, 0.0022498600000000, -0.0047296500000000 ] - [ -0.0084163300000000, -0.0168282000000000, -0.0235568500000000 ] - [ -0.0104315900000000, -0.0179170500000000, -0.0268726700000000 ] - [ -0.0087323000000000, -0.0188358600000000, -0.0226710700000000 ] - [ -0.0096719000000000, -0.0171058500000000, -0.0269304700000000 ] - [ 0.0070580200000000, -0.0141925100000000, -0.0213326500000000 ] - [ 0.0110917000000000, -0.0148417800000000, -0.0238395600000000 ] - [ 0.0062733700000000, -0.0147995300000000, -0.0227058200000000 ] - [ 0.0113874100000000, -0.0150625900000000, -0.0237750300000000 ] - [ 0.0302877400000000, -0.0210678100000000, 0.0686810200000000 ] - [ 0.0269612200000000, -0.0285181900000000, 0.0622609900000000 ] - [ 0.0205218700000000, -0.0280255900000000, 0.0676333600000000 ] - [ 0.0225778100000000, -0.0243272100000000, 0.0646696200000000 ] - [ -0.0446808500000000, -0.0265646400000000, 0.0624351400000000 ] - [ -0.0166496600000000, -0.0242161700000000, 0.0684987700000000 ] - [ -0.0280313000000000, -0.0227237600000000, 0.0664099700000000 ] - [ -0.0195469600000000, -0.0233966600000000, 0.0682573700000000 ] - [ -0.0024304100000000, 0.0205223700000000, -0.0291581700000000 ] - [ -0.0027662000000000, 0.0160611300000000, -0.0217733700000000 ] - [ -0.0093046300000000, 0.0160788100000000, -0.0271090700000000 ] - [ -0.0070947900000000, 0.0207091600000000, -0.0235853100000000 ] - [ -0.0076596300000000, 0.0115811800000000, -0.0232526100000000 ] - [ 0.0133753200000000, 0.0142737000000000, -0.0235307800000000 ] - [ 0.0050920700000000, 0.0164565200000000, -0.0235672900000000 ] - [ 0.0117913700000000, 0.0149059600000000, -0.0234198700000000 ] - [ -0.0248867300000000, 0.0245784000000000, 0.0684819600000000 ] - [ -0.0203098000000000, 0.0233575000000000, 0.0683637300000000 ] - [ -0.0252372400000000, 0.0230689200000000, 0.0702929300000000 ] - [ -0.0200752900000000, 0.0231802500000000, 0.0682840000000000 ] - [ 0.0205727300000000, 0.0271332500000000, 0.0663762600000000 ] - [ 0.0200410100000000, 0.0252370400000000, 0.0686811700000000 ] - [ 0.0197898400000000, 0.0255886400000000, 0.0659991800000000 ] - [ 0.0209617200000000, 0.0268605900000000, 0.0699561700000000 ] - [ 0.0008347100000000, -0.0067502300000000, -0.0037343000000000 ] - [ 0.0017709100000000, -0.0026461300000000, -0.0017680800000000 ] - [ 0.0066942600000000, -0.0003543300000000, -0.0048100300000000 ] - [ 0.0019574200000000, -0.0027804100000000, -0.0015279200000000 ] - [ -0.0124493300000000, 0.0227838600000000, -0.0738437300000000 ] - [ -0.0019655500000000, 0.0353007000000000, -0.0603119200000000 ] - [ 0.0043920800000000, 0.0349690400000000, -0.0609228400000000 ] - [ 0.0002457200000000, 0.0349040300000000, -0.0606773800000000 ] - [ 0.0013984200000000, 0.0010133000000000, 0.0008636300000000 ] - [ 0.0020022300000000, 0.0028974100000000, -0.0018863500000000 ] - [ 0.0034703600000000, 0.0026392100000000, -0.0025455500000000 ] - [ 0.0022120700000000, 0.0028134500000000, -0.0020008000000000 ] - [ 0.0032095700000000, -0.0354655000000000, -0.0609318500000000 ] - [ 0.0012415700000000, -0.0350760900000000, -0.0610208100000000 ] - [ 0.0042940300000000, -0.0346701000000000, -0.0608520900000000 ] - [ 0.0007759300000000, -0.0351636300000000, -0.0611417100000000 ] - [ -0.0008428600000000, -0.0004836700000000, -0.0118862400000000 ] - [ -0.0005361100000000, -0.0004751000000000, -0.0116614600000000 ] - [ -0.0007339500000000, -0.0000037200000000, -0.0121686400000000 ] - [ -0.0006165900000000, -0.0007825200000000, -0.0117793500000000 ] - [ 0.0009943800000000, -0.0018147900000000, -0.0117554800000000 ] - [ -0.0001530600000000, -0.0020253200000000, -0.0115354900000000 ] - [ 0.0009819500000000, -0.0018341200000000, -0.0122266100000000 ] - [ -0.0001491300000000, -0.0020247200000000, -0.0116018300000000 ] - [ -0.0000179300000000, 0.0135640700000000, 0.0273606500000000 ] - [ -0.0009965400000000, 0.0137089000000000, 0.0276959100000000 ] - [ 0.0007500900000000, 0.0140973800000000, 0.0273224200000000 ] - [ -0.0011533100000000, 0.0136806000000000, 0.0276789000000000 ] - [ 0.0010856100000000, 0.0113265200000000, 0.0267485300000000 ] - [ -0.0025898200000000, 0.0112425400000000, 0.0266620500000000 ] - [ 0.0008413200000000, 0.0111359800000000, 0.0269308000000000 ] - [ -0.0027363300000000, 0.0114747200000000, 0.0265845800000000 ] - [ 0.0012092900000000, -0.0002892900000000, -0.0002609600000000 ] - [ -0.0022060100000000, -0.0014158700000000, -0.0003640400000000 ] - [ -0.0006111700000000, -0.0019983900000000, -0.0003758100000000 ] - [ -0.0019336900000000, -0.0016186100000000, -0.0002354800000000 ] - [ 0.0006689200000000, -0.0020879500000000, 0.0001262100000000 ] - [ -0.0002521700000000, -0.0002582400000000, -0.0032148200000000 ] - [ 0.0008774800000000, -0.0020886800000000, -0.0003779600000000 ] - [ 0.0005313000000000, -0.0016411700000000, -0.0014093600000000 ] - [ -0.0001692200000000, -0.0034556300000000, -0.0018794300000000 ] - [ -0.0000186900000000, 0.0008497700000000, 0.0011550500000000 ] - [ -0.0011048700000000, 0.0007266100000000, -0.0030948700000000 ] - [ 0.0003779100000000, -0.0007542700000000, 0.0006786000000000 ] - [ -0.0042867600000000, 0.0298624400000000, -0.0570069900000000 ] - [ -0.0064819800000000, 0.0204085400000000, -0.0609113000000000 ] - [ 0.0003737600000000, 0.0170415700000000, -0.0567146900000000 ] - [ -0.0028890000000000, 0.0220496600000000, -0.0612523900000000 ] - [ 0.0854284900000000, 0.0177398900000000, 0.0192807800000000 ] - [ -0.0002655700000000, -0.0039302600000000, 0.0045287800000000 ] - [ 0.0026596600000000, -0.0037836200000000, 0.0052460400000000 ] - [ 0.0003018800000000, -0.0041475600000000, 0.0045627700000000 ] - [ -0.0073141800000000, 0.0018448600000000, 0.0045477500000000 ] - [ -0.0048609400000000, -0.0024414900000000, 0.0052288100000000 ] - [ -0.0015537600000000, -0.0024432700000000, 0.0039363000000000 ] - [ -0.0014056200000000, -0.0017136900000000, 0.0037643400000000 ] - [ -0.0014640500000000, -0.0009007500000000, -0.0111283400000000 ] - [ -0.0014001100000000, 0.0017331200000000, -0.0112566000000000 ] - [ -0.0035716000000000, 0.0048344900000000, -0.0097705100000000 ] - [ -0.0042050100000000, -0.0028114400000000, -0.0113332300000000 ] - [ 0.0050187300000000, -0.0041794500000000, -0.0093255600000000 ] - [ -0.0007124500000000, 0.0020465400000000, -0.0115383200000000 ] - [ 0.0063561800000000, 0.0028197300000000, -0.0100973200000000 ] - [ -0.0005957000000000, 0.0019711100000000, -0.0116206600000000 ] - [ -0.0109625700000000, -0.0192612600000000, 0.0381949900000000 ] - [ -0.0035077100000000, -0.0136417300000000, 0.0272234400000000 ] - [ 0.0012957500000000, -0.0141434800000000, 0.0279366600000000 ] - [ -0.0022385400000000, -0.0141735200000000, 0.0275499100000000 ] - [ -0.0040444800000000, -0.0056649000000000, 0.0210765200000000 ] - [ -0.0049110200000000, -0.0117471100000000, 0.0271626700000000 ] - [ 0.0001800200000000, -0.0164482700000000, 0.0245986100000000 ] - [ -0.0025180800000000, -0.0110449600000000, 0.0270330900000000 ] - [ -0.0005078900000000, 0.0009011600000000, -0.0013867500000000 ] - [ -0.0019993600000000, 0.0013308500000000, -0.0003758100000000 ] - [ 0.0039911000000000, 0.0025193200000000, -0.0051375400000000 ] - [ -0.0021862500000000, 0.0015934300000000, -0.0001711300000000 ] - [ 0.0005709300000000, 0.0005663600000000, -0.0021217700000000 ] - [ 0.0005867500000000, 0.0017923500000000, -0.0010282600000000 ] - [ -0.0012374100000000, 0.0019325100000000, -0.0048537100000000 ] - [ 0.0002369600000000, 0.0028248500000000, 0.0002347000000000 ] - [ 0.0002617500000000, -0.0007586000000000, 0.0015692300000000 ] - [ -0.0003455500000000, 0.0021468400000000, -0.0024771500000000 ] - [ 0.0006749500000000, 0.0007039800000000, 0.0001452700000000 ] - [ 0.0002617200000000, 0.0008812200000000, -0.0010310700000000 ] - [ 0.0000714400000000, -0.0214496200000000, -0.0611238800000000 ] - [ -0.0026370900000000, -0.0218929700000000, -0.0609982100000000 ] - [ -0.0002406600000000, -0.0217038300000000, -0.0614180800000000 ] - [ -0.0024918400000000, -0.0216907900000000, -0.0610291400000000 ] - [ 0.0017676400000000, 0.0034938900000000, 0.0045829700000000 ] - [ 0.0006439300000000, 0.0038898400000000, 0.0046295100000000 ] - [ 0.0019405300000000, 0.0039202600000000, 0.0044185900000000 ] - [ 0.0005581300000000, 0.0040348800000000, 0.0045892800000000 ] - [ -0.0010821200000000, 0.0021600400000000, 0.0035117300000000 ] - [ -0.0014871200000000, 0.0016654200000000, 0.0035199100000000 ] - [ -0.0011306400000000, 0.0022028900000000, 0.0034024900000000 ] - [ -0.0014037700000000, 0.0020698500000000, 0.0032189700000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0034399800000000, 0.0078928000000000, 0.0037103500000000 ] - [ 0.0012570100000000, 0.0067832600000000, 0.0045345800000000 ] - [ 0.0020487700000000, 0.0042692300000000, 0.0047656800000000 ] - [ 0.0015313600000000, 0.0056736500000000, 0.0048410500000000 ] - [ -0.0058161100000000, -0.0082106300000000, -0.0038671400000000 ] - [ -0.0014884000000000, -0.0033519600000000, -0.0044634800000000 ] - [ 0.0028597300000000, 0.0087775000000000, -0.0026268200000000 ] - [ -0.0032002700000000, -0.0008463700000000, -0.0044010800000000 ] - [ 0.0063547700000000, -0.0123238800000000, 0.0072785900000000 ] - [ 0.0011780500000000, -0.0071660200000000, 0.0052796600000000 ] - [ 0.0029469900000000, 0.0013099900000000, 0.0093612900000000 ] - [ 0.0021149700000000, -0.0053648400000000, 0.0047984000000000 ] - [ -0.0029365900000000, 0.0047883100000000, -0.0045504500000000 ] - [ -0.0015452400000000, 0.0027841600000000, -0.0050206600000000 ] - [ -0.0012327500000000, -0.0000844700000000, -0.0055927400000000 ] - [ -0.0017281300000000, 0.0013570000000000, -0.0052842100000000 ] - [ -0.0121827000000000, -0.0190470200000000, -0.0262980800000000 ] - [ -0.0074285100000000, -0.0198812500000000, -0.0258325000000000 ] - [ -0.0087483100000000, -0.0152786500000000, -0.0249204500000000 ] - [ -0.0102861100000000, -0.0161637000000000, -0.0250723000000000 ] - [ 0.0119427200000000, -0.0228133500000000, -0.0331686000000000 ] - [ 0.0090504500000000, -0.0158033600000000, -0.0236055300000000 ] - [ 0.0075141400000000, -0.0066983300000000, -0.0200261400000000 ] - [ 0.0090113700000000, -0.0145456600000000, -0.0235216100000000 ] - [ 0.0118874500000000, -0.0265341700000000, 0.0673701600000000 ] - [ 0.0275779400000000, -0.0206512100000000, 0.0678868600000000 ] - [ 0.0213096600000000, -0.0280619200000000, 0.0681353000000000 ] - [ 0.0163941800000000, -0.0293691000000000, 0.0699162000000000 ] - [ -0.0217327700000000, 0.0023760100000000, 0.0915669000000000 ] - [ -0.0229427300000000, -0.0227506100000000, 0.0682974600000000 ] - [ -0.0199010600000000, -0.0340108200000000, 0.0725708900000000 ] - [ -0.0233217700000000, -0.0230732800000000, 0.0687171100000000 ] - [ -0.0105435100000000, 0.0198202800000000, -0.0249504700000000 ] - [ -0.0067664200000000, 0.0230377600000000, -0.0256983800000000 ] - [ -0.0087471200000000, 0.0154163000000000, -0.0268073500000000 ] - [ -0.0126476200000000, 0.0128478400000000, -0.0278596900000000 ] - [ 0.0109420600000000, 0.0363659400000000, -0.0198503000000000 ] - [ 0.0090231300000000, 0.0157524500000000, -0.0233164000000000 ] - [ 0.0111145900000000, 0.0062820200000000, -0.0280778000000000 ] - [ 0.0084262900000000, 0.0148993000000000, -0.0238879900000000 ] - [ -0.0215813200000000, 0.0186398800000000, 0.0679232700000000 ] - [ -0.0226036000000000, 0.0227721100000000, 0.0678797900000000 ] - [ -0.0203405900000000, 0.0223216700000000, 0.0638459100000000 ] - [ -0.0230324200000000, 0.0232092200000000, 0.0682160500000000 ] - [ 0.0182328900000000, 0.0261215700000000, 0.0662496000000000 ] - [ 0.0212840400000000, 0.0251851100000000, 0.0658863100000000 ] - [ 0.0211236700000000, 0.0264385200000000, 0.0669157800000000 ] - [ 0.0186200300000000, 0.0264600200000000, 0.0646989200000000 ] - [ 0.0063474900000000, 0.0228342600000000, 0.0055746000000000 ] - [ 0.0028204500000000, -0.0023190400000000, -0.0019642000000000 ] - [ 0.0023810300000000, 0.0021495400000000, -0.0123522100000000 ] - [ 0.0028686200000000, -0.0030761700000000, -0.0023884100000000 ] - [ 0.0195935900000000, 0.0309713400000000, -0.0567867900000000 ] - [ 0.0011848300000000, 0.0342973500000000, -0.0613443100000000 ] - [ 0.0006696300000000, 0.0378499600000000, -0.0609025600000000 ] - [ 0.0043484100000000, 0.0358134900000000, -0.0610581300000000 ] - [ 0.0046303500000000, 0.0103084900000000, -0.0129150100000000 ] - [ 0.0027778000000000, 0.0025956500000000, -0.0020277500000000 ] - [ 0.0019786900000000, 0.0034834500000000, -0.0006406000000000 ] - [ 0.0027795900000000, 0.0027468200000000, -0.0018489100000000 ] - [ 0.0042791600000000, -0.0343214800000000, -0.0607745500000000 ] - [ 0.0022447300000000, -0.0348358800000000, -0.0608017100000000 ] - [ 0.0008169200000000, -0.0358407400000000, -0.0604012600000000 ] - [ 0.0035676400000000, -0.0353555300000000, -0.0606440200000000 ] - [ -0.0003150700000000, -0.0005503300000000, -0.0113415700000000 ] - [ -0.0011010400000000, -0.0005059800000000, -0.0113574700000000 ] - [ -0.0007079100000000, -0.0004248800000000, -0.0115379800000000 ] - [ -0.0005668700000000, -0.0003829800000000, -0.0112524300000000 ] - [ 0.0004872900000000, -0.0030350300000000, -0.0096053800000000 ] - [ 0.0005535300000000, -0.0020881200000000, -0.0113343800000000 ] - [ 0.0003207300000000, -0.0012866000000000, -0.0115014600000000 ] - [ 0.0004971200000000, -0.0019721300000000, -0.0113360000000000 ] - [ 0.0020214700000000, 0.0148793300000000, 0.0283662800000000 ] - [ -0.0007429600000000, 0.0142664900000000, 0.0277337400000000 ] - [ -0.0009879800000000, 0.0124377100000000, 0.0274730600000000 ] - [ 0.0000505400000000, 0.0134816900000000, 0.0276420900000000 ] - [ -0.0039198000000000, 0.0118510100000000, 0.0273513400000000 ] - [ 0.0000628100000000, 0.0112963500000000, 0.0268381500000000 ] - [ -0.0002173700000000, 0.0107182500000000, 0.0264420500000000 ] - [ -0.0009676800000000, 0.0110563200000000, 0.0267338000000000 ] - [ -0.0030393300000000, -0.0088461700000000, 0.0088231600000000 ] - [ -0.0012913900000000, -0.0020424900000000, -0.0002266500000000 ] - [ -0.0019749000000000, 0.0040811700000000, -0.0038900300000000 ] - [ -0.0012761400000000, -0.0009607700000000, -0.0010918700000000 ] - [ 0.0003057100000000, -0.0029682700000000, -0.0006894100000000 ] - [ 0.0015161100000000, -0.0032520400000000, 0.0004035200000000 ] - [ 0.0007339000000000, 0.0000552400000000, -0.0026560700000000 ] - [ 0.0008137400000000, -0.0002893600000000, -0.0022151100000000 ] - [ 0.0017774300000000, 0.0003127800000000, 0.0007501100000000 ] - [ -0.0004537700000000, -0.0003500000000000, 0.0002091800000000 ] - [ -0.0008623900000000, -0.0002311100000000, -0.0027871600000000 ] - [ 0.0010538800000000, -0.0011031000000000, -0.0010419200000000 ] - [ -0.0146154200000000, 0.0290385400000000, -0.0572338300000000 ] - [ 0.0008169000000000, 0.0223280900000000, -0.0612580800000000 ] - [ -0.0007259700000000, 0.0272550300000000, -0.0655690100000000 ] - [ -0.0014904700000000, 0.0217250200000000, -0.0610263300000000 ] - [ -0.0200063700000000, -0.1319401200000000, -0.0272254600000000 ] - [ 0.0013294200000000, -0.0043897300000000, 0.0044524100000000 ] - [ 0.0011692100000000, 0.0015254300000000, 0.0047599100000000 ] - [ 0.0015454800000000, -0.0033790900000000, 0.0047974200000000 ] - [ 0.0021945200000000, -0.0076897100000000, 0.0022125700000000 ] - [ -0.0018742400000000, -0.0055498300000000, 0.0026293700000000 ] - [ -0.0016251600000000, 0.0000764500000000, 0.0036049000000000 ] - [ -0.0009923100000000, -0.0005515900000000, 0.0036714000000000 ] - [ 0.0003853600000000, -0.0000969900000000, -0.0126127500000000 ] - [ -0.0017006300000000, -0.0004536500000000, -0.0122431400000000 ] - [ -0.0029779200000000, 0.0036860900000000, -0.0103427700000000 ] - [ 0.0043808000000000, 0.0048159400000000, -0.0120095700000000 ] - [ 0.0065532900000000, 0.0312580400000000, -0.0212182400000000 ] - [ 0.0006038200000000, 0.0020273200000000, -0.0117034900000000 ] - [ -0.0022898200000000, 0.0137794100000000, -0.0096801600000000 ] - [ 0.0005950700000000, 0.0019671000000000, -0.0114740400000000 ] - [ 0.0024618700000000, -0.0186742700000000, 0.0284920600000000 ] - [ -0.0003849800000000, -0.0144925400000000, 0.0277914100000000 ] - [ -0.0014333500000000, -0.0118689100000000, 0.0272503500000000 ] - [ 0.0013924800000000, -0.0129298800000000, 0.0276338300000000 ] - [ -0.0075280900000000, -0.0112846900000000, 0.0231327700000000 ] - [ -0.0005392200000000, -0.0115532700000000, 0.0266862400000000 ] - [ -0.0001179700000000, -0.0057973200000000, 0.0290285700000000 ] - [ -0.0010858000000000, -0.0110727300000000, 0.0268854400000000 ] - [ -0.0013541000000000, 0.0054147100000000, 0.0006721800000000 ] - [ -0.0012854500000000, 0.0020477900000000, -0.0002767500000000 ] - [ -0.0034612200000000, -0.0026494200000000, 0.0126094000000000 ] - [ -0.0013457400000000, 0.0011477200000000, -0.0008325100000000 ] - [ 0.0005026200000000, 0.0038965900000000, -0.0004228400000000 ] - [ 0.0008173100000000, 0.0027359800000000, -0.0004020400000000 ] - [ 0.0030322500000000, -0.0012911100000000, 0.0014293700000000 ] - [ 0.0007958000000000, 0.0006614100000000, -0.0017046200000000 ] - [ 0.0009438900000000, 0.0004636900000000, 0.0000225100000000 ] - [ 0.0001422200000000, 0.0004424900000000, -0.0002753900000000 ] - [ 0.0005744600000000, 0.0008122600000000, 0.0001415900000000 ] - [ 0.0010609900000000, 0.0005833700000000, 0.0007196500000000 ] - [ -0.0028499300000000, -0.0212117400000000, -0.0608746100000000 ] - [ -0.0006781700000000, -0.0217138000000000, -0.0609129300000000 ] - [ -0.0009295500000000, -0.0213609500000000, -0.0602534300000000 ] - [ -0.0013585800000000, -0.0215996500000000, -0.0608469100000000 ] - [ 0.0009071800000000, 0.0059651600000000, 0.0054465200000000 ] - [ 0.0012886200000000, 0.0040610700000000, 0.0048515700000000 ] - [ 0.0013148100000000, 0.0017568400000000, 0.0052637200000000 ] - [ 0.0014326200000000, 0.0034619100000000, 0.0048888400000000 ] - [ -0.0014870000000000, 0.0025062500000000, 0.0040328800000000 ] - [ -0.0008484200000000, 0.0025617200000000, 0.0038564600000000 ] - [ -0.0014195000000000, 0.0011612200000000, 0.0040769800000000 ] - [ -0.0013264000000000, 0.0013885300000000, 0.0037868600000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0000017800000000, 0.0046068800000000, 0.0059904600000000 ] - [ 0.0021949300000000, 0.0057242900000000, 0.0051751000000000 ] - [ 0.0013973600000000, 0.0082399200000000, 0.0049460000000000 ] - [ 0.0019182200000000, 0.0068369600000000, 0.0048711900000000 ] - [ 0.0027481200000000, 0.0040400500000000, -0.0059517900000000 ] - [ -0.0015580400000000, -0.0008132700000000, -0.0053435100000000 ] - [ -0.0056009000000000, -0.0132087900000000, -0.0071345500000000 ] - [ 0.0001559900000000, -0.0033365400000000, -0.0054063600000000 ] - [ -0.0028802500000000, -0.0001599900000000, 0.0024499300000000 ] - [ 0.0022724500000000, -0.0053345800000000, 0.0044364500000000 ] - [ -0.0000900700000000, -0.0143979900000000, 0.0000877300000000 ] - [ 0.0013364100000000, -0.0071520600000000, 0.0049202200000000 ] - [ -0.0001022200000000, -0.0006312700000000, -0.0052768000000000 ] - [ -0.0015062400000000, 0.0013858800000000, -0.0047886400000000 ] - [ -0.0018226400000000, 0.0042626600000000, -0.0042145500000000 ] - [ -0.0013195200000000, 0.0028176000000000, -0.0045230600000000 ] - [ -0.0071147000000000, -0.0164686000000000, -0.0246963900000000 ] - [ -0.0118655300000000, -0.0156376500000000, -0.0251641800000000 ] - [ -0.0105509700000000, -0.0202471700000000, -0.0260736000000000 ] - [ -0.0090092700000000, -0.0193639300000000, -0.0259203500000000 ] - [ 0.0067365600000000, -0.0075107400000000, -0.0139593500000000 ] - [ 0.0096348500000000, -0.0145393200000000, -0.0234962500000000 ] - [ 0.0111578900000000, -0.0236430700000000, -0.0270857900000000 ] - [ 0.0096731400000000, -0.0158017000000000, -0.0235794800000000 ] - [ 0.0281573900000000, -0.0257881400000000, 0.0666054000000000 ] - [ 0.0124739000000000, -0.0316680100000000, 0.0660905400000000 ] - [ 0.0187133800000000, -0.0242813300000000, 0.0658332000000000 ] - [ 0.0236664800000000, -0.0229568100000000, 0.0640342900000000 ] - [ -0.0224054300000000, -0.0463583800000000, 0.0473256600000000 ] - [ -0.0216464200000000, -0.0232600300000000, 0.0682754400000000 ] - [ -0.0247229600000000, -0.0119895300000000, 0.0639487700000000 ] - [ -0.0212691500000000, -0.0229367500000000, 0.0678512100000000 ] - [ -0.0086771700000000, 0.0157257300000000, -0.0260343800000000 ] - [ -0.0125865200000000, 0.0124616100000000, -0.0252956400000000 ] - [ -0.0105627500000000, 0.0201017700000000, -0.0241705500000000 ] - [ -0.0066310600000000, 0.0227021300000000, -0.0231068000000000 ] - [ 0.0078938100000000, -0.0057059000000000, -0.0282114300000000 ] - [ 0.0096671000000000, 0.0145907700000000, -0.0237807100000000 ] - [ 0.0075589000000000, 0.0241125400000000, -0.0189536700000000 ] - [ 0.0102634100000000, 0.0154476800000000, -0.0232064400000000 ] - [ -0.0230453200000000, 0.0274756000000000, 0.0686326000000000 ] - [ -0.0219915200000000, 0.0232424200000000, 0.0686902600000000 ] - [ -0.0242519300000000, 0.0236356100000000, 0.0726900300000000 ] - [ -0.0215605100000000, 0.0227964900000000, 0.0683535800000000 ] - [ 0.0218183600000000, 0.0262263000000000, 0.0677155900000000 ] - [ 0.0187424900000000, 0.0271680400000000, 0.0680859500000000 ] - [ 0.0189194000000000, 0.0258894000000000, 0.0670468000000000 ] - [ 0.0214131900000000, 0.0258755500000000, 0.0692843300000000 ] - [ -0.0009742800000000, -0.0283027200000000, -0.0097155500000000 ] - [ 0.0025523300000000, -0.0032183900000000, -0.0021683100000000 ] - [ 0.0030207400000000, -0.0076903600000000, 0.0082668100000000 ] - [ 0.0025049000000000, -0.0024577600000000, -0.0017417300000000 ] - [ -0.0144873400000000, 0.0391452200000000, -0.0650245500000000 ] - [ 0.0038715900000000, 0.0359166700000000, -0.0604354000000000 ] - [ 0.0044137600000000, 0.0323650900000000, -0.0608720600000000 ] - [ 0.0007029000000000, 0.0343977900000000, -0.0607200100000000 ] - [ 0.0007276700000000, -0.0048243600000000, 0.0089191000000000 ] - [ 0.0025960200000000, 0.0029396400000000, -0.0021017000000000 ] - [ 0.0034013700000000, 0.0020730300000000, -0.0035194900000000 ] - [ 0.0025936800000000, 0.0027918400000000, -0.0022852500000000 ] - [ 0.0007736800000000, -0.0359023900000000, -0.0610030400000000 ] - [ 0.0028210600000000, -0.0353808000000000, -0.0609765100000000 ] - [ 0.0042448300000000, -0.0343652200000000, -0.0613746000000000 ] - [ 0.0014934900000000, -0.0348565600000000, -0.0611355200000000 ] - [ -0.0010053600000000, -0.0004017300000000, -0.0119059500000000 ] - [ -0.0002159100000000, -0.0004456500000000, -0.0118902700000000 ] - [ -0.0006107700000000, -0.0005219800000000, -0.0117095700000000 ] - [ -0.0007497100000000, -0.0005648400000000, -0.0119990600000000 ] - [ 0.0003180700000000, -0.0010050300000000, -0.0132992600000000 ] - [ 0.0002456800000000, -0.0019381700000000, -0.0115973000000000 ] - [ 0.0004810600000000, -0.0027377100000000, -0.0114139700000000 ] - [ 0.0003015800000000, -0.0020528000000000, -0.0115965700000000 ] - [ -0.0025218000000000, 0.0127196800000000, 0.0269250900000000 ] - [ 0.0002345300000000, 0.0133328000000000, 0.0275567700000000 ] - [ 0.0004917500000000, 0.0151676400000000, 0.0278221500000000 ] - [ -0.0005566300000000, 0.0141196800000000, 0.0276485100000000 ] - [ 0.0020841900000000, 0.0106876700000000, 0.0261859900000000 ] - [ -0.0019032500000000, 0.0112440500000000, 0.0266956200000000 ] - [ -0.0016201700000000, 0.0118216900000000, 0.0270929000000000 ] - [ -0.0008737600000000, 0.0114857600000000, 0.0267999800000000 ] - [ 0.0001406300000000, 0.0057177100000000, -0.0098955100000000 ] - [ -0.0015821000000000, -0.0010155900000000, -0.0009013000000000 ] - [ -0.0008973900000000, -0.0071497400000000, 0.0027767800000000 ] - [ -0.0015976400000000, -0.0021009200000000, -0.0000325400000000 ] - [ 0.0012812200000000, -0.0001663200000000, -0.0016947100000000 ] - [ 0.0000696100000000, 0.0001186000000000, -0.0027898500000000 ] - [ 0.0008515400000000, -0.0031957100000000, 0.0002793700000000 ] - [ 0.0007736100000000, -0.0028492400000000, -0.0001642900000000 ] - [ -0.0005449700000000, -0.0017895800000000, -0.0011731800000000 ] - [ 0.0016790600000000, -0.0011177100000000, -0.0006299600000000 ] - [ 0.0020896400000000, -0.0012351600000000, 0.0023649000000000 ] - [ 0.0001723800000000, -0.0003617700000000, 0.0006243900000000 ] - [ 0.0117717100000000, 0.0143527900000000, -0.0646944300000000 ] - [ -0.0035343500000000, 0.0210054100000000, -0.0607095800000000 ] - [ -0.0019822700000000, 0.0160556700000000, -0.0563706300000000 ] - [ -0.0012155900000000, 0.0216165700000000, -0.0609441300000000 ] - [ 0.0221565800000000, 0.1223540600000000, 0.0354042200000000 ] - [ 0.0011131700000000, -0.0032589200000000, 0.0050255100000000 ] - [ 0.0012738400000000, -0.0091799300000000, 0.0047214000000000 ] - [ 0.0008969700000000, -0.0042731100000000, 0.0046822100000000 ] - [ -0.0046710500000000, 0.0037017200000000, 0.0051264200000000 ] - [ -0.0006073900000000, 0.0015507100000000, 0.0046981600000000 ] - [ -0.0008579400000000, -0.0040898300000000, 0.0037330900000000 ] - [ -0.0014818100000000, -0.0034542100000000, 0.0036617900000000 ] - [ -0.0017008800000000, 0.0010308400000000, -0.0106490800000000 ] - [ 0.0003834700000000, 0.0013977300000000, -0.0110151300000000 ] - [ 0.0016552200000000, -0.0027256300000000, -0.0129039000000000 ] - [ -0.0057388700000000, -0.0039004400000000, -0.0112381200000000 ] - [ -0.0056103000000000, -0.0266731300000000, -0.0018765200000000 ] - [ 0.0001938900000000, 0.0019957300000000, -0.0112317700000000 ] - [ 0.0031306100000000, -0.0099154400000000, -0.0132891000000000 ] - [ 0.0002033100000000, 0.0020592200000000, -0.0114601000000000 ] - [ -0.0030969600000000, -0.0089630600000000, 0.0268650300000000 ] - [ -0.0001122800000000, -0.0131029900000000, 0.0274963500000000 ] - [ 0.0009439700000000, -0.0157329800000000, 0.0280324200000000 ] - [ -0.0019095100000000, -0.0146747000000000, 0.0276543100000000 ] - [ 0.0057296100000000, -0.0112986100000000, 0.0304061200000000 ] - [ -0.0013246800000000, -0.0109927500000000, 0.0268453200000000 ] - [ -0.0017264400000000, -0.0167657500000000, 0.0244968800000000 ] - [ -0.0007518100000000, -0.0114667800000000, 0.0266473300000000 ] - [ -0.0015146800000000, -0.0023827900000000, -0.0018311600000000 ] - [ -0.0015876600000000, 0.0010093800000000, -0.0008525900000000 ] - [ 0.0006011300000000, 0.0058045100000000, -0.0136582800000000 ] - [ -0.0015281200000000, 0.0019161000000000, -0.0002926500000000 ] - [ 0.0010826300000000, -0.0007745900000000, -0.0019705700000000 ] - [ 0.0007684700000000, 0.0003938100000000, -0.0019890400000000 ] - [ -0.0014577500000000, 0.0044540700000000, -0.0038309500000000 ] - [ 0.0007839100000000, 0.0024831800000000, -0.0006740600000000 ] - [ 0.0002774500000000, 0.0009954400000000, -0.0004384800000000 ] - [ 0.0010926700000000, 0.0010248600000000, -0.0001411500000000 ] - [ 0.0006539700000000, 0.0006636700000000, -0.0005715300000000 ] - [ 0.0001652100000000, 0.0008909400000000, -0.0011521000000000 ] - [ 0.0001590700000000, -0.0221339800000000, -0.0610884300000000 ] - [ -0.0020368100000000, -0.0216265200000000, -0.0610542200000000 ] - [ -0.0017673900000000, -0.0219716500000000, -0.0617129100000000 ] - [ -0.0013548600000000, -0.0217374200000000, -0.0611207500000000 ] - [ 0.0015396200000000, 0.0016711400000000, 0.0040519800000000 ] - [ 0.0011548500000000, 0.0035878200000000, 0.0046310600000000 ] - [ 0.0011335000000000, 0.0058999900000000, 0.0042286900000000 ] - [ 0.0010105400000000, 0.0041901700000000, 0.0045920100000000 ] - [ -0.0009924300000000, 0.0015005400000000, 0.0033074200000000 ] - [ -0.0016337000000000, 0.0014435900000000, 0.0034852000000000 ] - [ -0.0010591400000000, 0.0028525000000000, 0.0032584700000000 ] - [ -0.0011566300000000, 0.0026223700000000, 0.0035522100000000 ]- atom: 97 displacement: [ 0.0000055737063633, 0.0000000000000000, 0.0099999984466897 ] forces: - [ 0.0027697600000000, 0.0054996300000000, -0.0000633900000000 ] - [ 0.0014989500000000, 0.0062134100000000, 0.0036924200000000 ] - [ 0.0021809600000000, 0.0060370100000000, 0.0030998900000000 ] - [ 0.0016012000000000, 0.0061390400000000, 0.0042468400000000 ] - [ -0.0025105300000000, -0.0031603100000000, 0.0002341400000000 ] - [ -0.0017771500000000, -0.0023596900000000, -0.0041291900000000 ] - [ 0.0004673300000000, 0.0007349900000000, 0.0074911000000000 ] - [ -0.0021945500000000, -0.0017628200000000, -0.0039995900000000 ] - [ 0.0013036700000000, -0.0058343400000000, 0.0099308700000000 ] - [ 0.0014474600000000, -0.0065766600000000, 0.0061153000000000 ] - [ 0.0013110900000000, -0.0058826100000000, 0.0139478900000000 ] - [ 0.0013020700000000, -0.0060707300000000, 0.0056709200000000 ] - [ 0.0005347400000000, 0.0003486500000000, -0.0102683600000000 ] - [ -0.0017285200000000, 0.0020808300000000, -0.0057972400000000 ] - [ -0.0014555300000000, 0.0021049200000000, -0.0068684300000000 ] - [ -0.0016070000000000, 0.0020319800000000, -0.0054599500000000 ] - [ -0.0123181900000000, -0.0181236500000000, -0.0289244500000000 ] - [ -0.0073003600000000, -0.0189451400000000, -0.0269303000000000 ] - [ -0.0109876400000000, -0.0158117100000000, -0.0279094000000000 ] - [ -0.0076258800000000, -0.0169994900000000, -0.0267804300000000 ] - [ 0.0114497600000000, -0.0210246000000000, -0.0380236200000000 ] - [ 0.0090132700000000, -0.0154796200000000, -0.0243694800000000 ] - [ 0.0085367000000000, -0.0089640900000000, -0.0307500700000000 ] - [ 0.0090629500000000, -0.0147295200000000, -0.0240892700000000 ] - [ 0.0092097200000000, -0.0299506600000000, 0.0687475000000000 ] - [ 0.0271479800000000, -0.0237223100000000, 0.0691279800000000 ] - [ 0.0185047600000000, -0.0266759200000000, 0.0676396700000000 ] - [ 0.0198529300000000, -0.0266420100000000, 0.0689502400000000 ] - [ -0.0222077500000000, -0.0262630600000000, 0.1045608000000000 ] - [ -0.0236950900000000, -0.0228318700000000, 0.0685984300000000 ] - [ -0.0205794900000000, -0.0215924500000000, 0.0740018300000000 ] - [ -0.0230473900000000, -0.0229088000000000, 0.0686502900000000 ] - [ -0.0019105800000000, 0.0200219500000000, -0.0221790900000000 ] - [ -0.0184898600000000, 0.0169593400000000, -0.0240311400000000 ] - [ -0.0090421900000000, 0.0182368600000000, -0.0237378500000000 ] - [ -0.0110958600000000, 0.0164193600000000, -0.0255617300000000 ] - [ 0.0149690700000000, 0.0328520900000000, -0.0331254000000000 ] - [ 0.0089414100000000, 0.0154704300000000, -0.0227090200000000 ] - [ 0.0105400000000000, 0.0144518300000000, -0.0212099200000000 ] - [ 0.0087658800000000, 0.0153129500000000, -0.0231200700000000 ] - [ -0.0242413900000000, 0.0363091100000000, 0.0606765100000000 ] - [ -0.0225219300000000, 0.0232885000000000, 0.0677795800000000 ] - [ -0.0192622700000000, 0.0172519100000000, 0.0576694200000000 ] - [ -0.0226204200000000, 0.0229018800000000, 0.0679207200000000 ] - [ 0.0229763000000000, 0.0265168700000000, 0.0655787300000000 ] - [ 0.0182065400000000, 0.0278717800000000, 0.0650737500000000 ] - [ 0.0222669900000000, 0.0252225000000000, 0.0658250600000000 ] - [ 0.0182359700000000, 0.0259118200000000, 0.0644978000000000 ] - [ 0.0079976700000000, 0.0301288300000000, 0.0096906500000000 ] - [ 0.0028533800000000, -0.0021803100000000, -0.0017404700000000 ] - [ 0.0035261500000000, -0.0085450600000000, 0.0015274100000000 ] - [ 0.0028248000000000, -0.0028148300000000, -0.0021888900000000 ] - [ 0.0244837800000000, 0.0411311000000000, -0.0574830400000000 ] - [ 0.0013778800000000, 0.0346648700000000, -0.0614925200000000 ] - [ 0.0038444900000000, 0.0356693100000000, -0.0616572300000000 ] - [ 0.0029855700000000, 0.0351718100000000, -0.0611665900000000 ] - [ -0.0027837700000000, -0.0172675100000000, 0.0281538300000000 ] - [ 0.0027830200000000, 0.0027183500000000, -0.0019679700000000 ] - [ 0.0021594700000000, 0.0045839600000000, -0.0021636100000000 ] - [ 0.0027632700000000, 0.0029074000000000, -0.0021330200000000 ] - [ -0.0009537900000000, -0.0365726800000000, -0.0600735000000000 ] - [ 0.0033416400000000, -0.0354797200000000, -0.0605090800000000 ] - [ -0.0002137300000000, -0.0346336600000000, -0.0598655200000000 ] - [ 0.0034041300000000, -0.0352008600000000, -0.0605403500000000 ] - [ -0.0008811000000000, -0.0011640100000000, -0.0100551400000000 ] - [ -0.0008696800000000, -0.0006724700000000, -0.0105820300000000 ] - [ -0.0007736700000000, -0.0008219400000000, -0.0103327900000000 ] - [ -0.0007866400000000, -0.0007088600000000, -0.0105892700000000 ] - [ 0.0010713300000000, -0.0045821100000000, -0.0048137700000000 ] - [ 0.0005186700000000, -0.0021996400000000, -0.0109358500000000 ] - [ 0.0004405900000000, -0.0032522800000000, -0.0068383100000000 ] - [ 0.0004942800000000, -0.0021374800000000, -0.0110136600000000 ] - [ 0.0023776700000000, 0.0147435800000000, 0.0292802300000000 ] - [ -0.0006478800000000, 0.0141256800000000, 0.0279589400000000 ] - [ 0.0013732300000000, 0.0138774500000000, 0.0291707900000000 ] - [ -0.0006235400000000, 0.0138453300000000, 0.0279894200000000 ] - [ -0.0041908800000000, 0.0114529300000000, 0.0279579600000000 ] - [ 0.0000909500000000, 0.0111313900000000, 0.0271655300000000 ] - [ -0.0027610500000000, 0.0104633200000000, 0.0276727500000000 ] - [ -0.0003358600000000, 0.0109669200000000, 0.0270827600000000 ] - [ -0.0015395000000000, -0.0052779100000000, 0.0114978000000000 ] - [ -0.0012688200000000, -0.0018464700000000, -0.0002050500000000 ] - [ -0.0023061800000000, 0.0009162100000000, -0.0009694100000000 ] - [ -0.0013197700000000, -0.0013044800000000, -0.0006552500000000 ] - [ -0.0001558100000000, -0.0020479900000000, -0.0008229200000000 ] - [ 0.0016985600000000, -0.0028354100000000, 0.0006637700000000 ] - [ 0.0005494900000000, -0.0009484500000000, -0.0016891200000000 ] - [ 0.0011086400000000, -0.0012527100000000, -0.0010058900000000 ] - [ 0.0020965700000000, 0.0016168600000000, 0.0014068500000000 ] - [ -0.0002310100000000, -0.0002559500000000, 0.0001193500000000 ] - [ 0.0006092700000000, -0.0007667600000000, -0.0003322200000000 ] - [ 0.0004307000000000, -0.0010491900000000, -0.0006712400000000 ] - [ -0.0122414100000000, 0.0300973100000000, -0.0625054900000000 ] - [ 0.0022392500000000, 0.0233341900000000, -0.0618598100000000 ] - [ -0.0026078100000000, 0.0234153700000000, -0.0635784100000000 ] - [ -0.0006213800000000, 0.0218276700000000, -0.0611911800000000 ] - [ -0.0136902200000000, -0.0365815600000000, -0.1093520400000000 ] - [ 0.0014357300000000, -0.0041109100000000, 0.0040467900000000 ] - [ 0.0007168200000000, -0.0037966700000000, 0.0019814600000000 ] - [ 0.0014016100000000, -0.0037638500000000, 0.0044760600000000 ] - [ -0.0003448700000000, -0.0035900700000000, 0.0008748000000000 ] - [ -0.0002708000000000, -0.0031272200000000, 0.0001674400000000 ] - [ -0.0011509400000000, -0.0018138500000000, 0.0029629900000000 ] - [ -0.0009564000000000, -0.0020125500000000, 0.0028452500000000 ] - [ -0.0004990900000000, -0.0004031300000000, -0.0144702200000000 ] - [ -0.0004517000000000, -0.0004613600000000, -0.0138548200000000 ] - [ -0.0002358900000000, -0.0002699600000000, -0.0126314500000000 ] - [ 0.0014160800000000, 0.0020559400000000, -0.0122377900000000 ] - [ -0.0016499700000000, -0.0079822600000000, -0.0206580700000000 ] - [ 0.0005856500000000, 0.0017747200000000, -0.0122610000000000 ] - [ -0.0013836300000000, 0.0043902800000000, -0.0138398400000000 ] - [ 0.0005775400000000, 0.0018836500000000, -0.0117506400000000 ] - [ -0.0166374900000000, -0.0159260700000000, 0.0314495900000000 ] - [ 0.0016822300000000, -0.0134079700000000, 0.0271074300000000 ] - [ -0.0013469800000000, -0.0133044500000000, 0.0267917800000000 ] - [ 0.0005733400000000, -0.0135002900000000, 0.0274515600000000 ] - [ 0.0107463800000000, -0.0179956800000000, 0.0304886500000000 ] - [ -0.0027656700000000, -0.0117961000000000, 0.0262068200000000 ] - [ -0.0004317600000000, -0.0099805300000000, 0.0271216500000000 ] - [ -0.0008411800000000, -0.0113828500000000, 0.0265031500000000 ] - [ -0.0010182500000000, -0.0001782100000000, -0.0028066400000000 ] - [ -0.0013275100000000, 0.0015184300000000, -0.0007553800000000 ] - [ -0.0011629900000000, 0.0110692300000000, 0.0248391300000000 ] - [ -0.0013684900000000, 0.0016142700000000, -0.0007059900000000 ] - [ 0.0010213100000000, 0.0017446700000000, -0.0010821900000000 ] - [ 0.0005258900000000, 0.0011928100000000, -0.0018416000000000 ] - [ 0.0023138000000000, 0.0020339600000000, 0.0003609200000000 ] - [ 0.0000361100000000, 0.0019299200000000, -0.0014701300000000 ] - [ -0.0004510100000000, 0.0000929200000000, -0.0000056600000000 ] - [ 0.0017398200000000, -0.0000524000000000, 0.0012794200000000 ] - [ 0.0003962800000000, 0.0011609000000000, -0.0005979100000000 ] - [ 0.0008734000000000, 0.0007934600000000, 0.0000900600000000 ] - [ 0.0009879000000000, -0.0220994600000000, -0.0590160800000000 ] - [ -0.0020982900000000, -0.0214570500000000, -0.0604496200000000 ] - [ -0.0001412600000000, -0.0206914600000000, -0.0595213600000000 ] - [ -0.0018499300000000, -0.0213332100000000, -0.0606150200000000 ] - [ 0.0013787700000000, 0.0031390900000000, 0.0103452900000000 ] - [ 0.0013343800000000, 0.0037137000000000, 0.0053112900000000 ] - [ 0.0015459500000000, 0.0032971600000000, 0.0089002400000000 ] - [ 0.0013746900000000, 0.0036736000000000, 0.0051367300000000 ] - [ -0.0013437600000000, 0.0017843800000000, 0.0048727900000000 ] - [ -0.0014224900000000, 0.0017460800000000, 0.0053508800000000 ] - [ -0.0014200600000000, 0.0016454300000000, 0.0047351400000000 ] - [ -0.0016121000000000, 0.0019158300000000, 0.0048263500000000 ]- atom: 97 displacement: [ -0.0000055737063633, 0.0000000000000000, -0.0099999984466897 ] forces: - [ 0.0007160200000000, 0.0070067200000000, 0.0097774600000000 ] - [ 0.0019448700000000, 0.0063009200000000, 0.0060236000000000 ] - [ 0.0012799100000000, 0.0064646100000000, 0.0066263100000000 ] - [ 0.0018450800000000, 0.0063689400000000, 0.0054723900000000 ] - [ -0.0005521800000000, -0.0010229300000000, -0.0100109500000000 ] - [ -0.0012792900000000, -0.0018150300000000, -0.0056728600000000 ] - [ -0.0034169600000000, -0.0049318800000000, -0.0172823300000000 ] - [ -0.0008747800000000, -0.0024090800000000, -0.0058012700000000 ] - [ 0.0021412000000000, -0.0066679300000000, -0.0002296200000000 ] - [ 0.0020026500000000, -0.0059381500000000, 0.0035986000000000 ] - [ 0.0019819000000000, -0.0068205100000000, -0.0042788700000000 ] - [ 0.0021550200000000, -0.0064344800000000, 0.0040397200000000 ] - [ -0.0036204100000000, 0.0038442400000000, 0.0004838100000000 ] - [ -0.0013249500000000, 0.0020935600000000, -0.0040043100000000 ] - [ -0.0016046600000000, 0.0020544000000000, -0.0029325000000000 ] - [ -0.0014470700000000, 0.0021341100000000, -0.0043445500000000 ] - [ -0.0069995500000000, -0.0174052300000000, -0.0220513300000000 ] - [ -0.0119736700000000, -0.0165854800000000, -0.0240397700000000 ] - [ -0.0083113400000000, -0.0196961000000000, -0.0230485500000000 ] - [ -0.0116649900000000, -0.0185199300000000, -0.0241904300000000 ] - [ 0.0072321500000000, -0.0093684500000000, -0.0090653700000000 ] - [ 0.0096619700000000, -0.0148664400000000, -0.0227193200000000 ] - [ 0.0101116800000000, -0.0212582400000000, -0.0162690800000000 ] - [ 0.0096157200000000, -0.0156131500000000, -0.0230016700000000 ] - [ 0.0308237500000000, -0.0223904700000000, 0.0652350000000000 ] - [ 0.0128674000000000, -0.0285836600000000, 0.0648733200000000 ] - [ 0.0215515200000000, -0.0256819700000000, 0.0663439700000000 ] - [ 0.0201637000000000, -0.0257125500000000, 0.0650370300000000 ] - [ -0.0220943400000000, -0.0178944800000000, 0.0333490500000000 ] - [ -0.0209219300000000, -0.0231748700000000, 0.0679715100000000 ] - [ -0.0240189900000000, -0.0244899300000000, 0.0626011900000000 ] - [ -0.0215624200000000, -0.0231053200000000, 0.0679233800000000 ] - [ -0.0174034200000000, 0.0155055400000000, -0.0288320400000000 ] - [ -0.0007823100000000, 0.0185991400000000, -0.0269899300000000 ] - [ -0.0102490100000000, 0.0172587700000000, -0.0272797100000000 ] - [ -0.0082206700000000, 0.0190779700000000, -0.0254465300000000 ] - [ 0.0039589000000000, -0.0016248900000000, -0.0153260700000000 ] - [ 0.0097309800000000, 0.0148766100000000, -0.0243930800000000 ] - [ 0.0081496500000000, 0.0158406500000000, -0.0259558400000000 ] - [ 0.0099098800000000, 0.0150282900000000, -0.0239837600000000 ] - [ -0.0203460700000000, 0.0095939500000000, 0.0758947700000000 ] - [ -0.0220854700000000, 0.0227235700000000, 0.0687881400000000 ] - [ -0.0253644900000000, 0.0288222200000000, 0.0789506000000000 ] - [ -0.0219898400000000, 0.0231125500000000, 0.0686484100000000 ] - [ 0.0170322100000000, 0.0258220500000000, 0.0683826100000000 ] - [ 0.0218583800000000, 0.0244549100000000, 0.0688829100000000 ] - [ 0.0177509500000000, 0.0271264300000000, 0.0681397500000000 ] - [ 0.0218173400000000, 0.0264258000000000, 0.0694528100000000 ] - [ -0.0025389000000000, -0.0353823000000000, -0.0136952400000000 ] - [ 0.0025252100000000, -0.0033596400000000, -0.0023976100000000 ] - [ 0.0018716200000000, 0.0029983100000000, -0.0057516300000000 ] - [ 0.0025530300000000, -0.0027238300000000, -0.0019489600000000 ] - [ -0.0192746600000000, 0.0290993700000000, -0.0643837400000000 ] - [ 0.0037021600000000, 0.0355455900000000, -0.0602909300000000 ] - [ 0.0012110100000000, 0.0345600900000000, -0.0601249700000000 ] - [ 0.0020898700000000, 0.0350464800000000, -0.0606140700000000 ] - [ 0.0082413200000000, 0.0229904000000000, -0.0327015200000000 ] - [ 0.0025937500000000, 0.0028156000000000, -0.0021627400000000 ] - [ 0.0032164300000000, 0.0009251400000000, -0.0019425600000000 ] - [ 0.0026126800000000, 0.0026275200000000, -0.0019962800000000 ] - [ 0.0060536700000000, -0.0336344300000000, -0.0617056100000000 ] - [ 0.0017166600000000, -0.0347311000000000, -0.0612705000000000 ] - [ 0.0053050600000000, -0.0355854600000000, -0.0619131600000000 ] - [ 0.0016601200000000, -0.0350133300000000, -0.0612379500000000 ] - [ -0.0004311300000000, 0.0002180200000000, -0.0132018700000000 ] - [ -0.0004551300000000, -0.0002735900000000, -0.0126719400000000 ] - [ -0.0005409200000000, -0.0001235700000000, -0.0129272900000000 ] - [ -0.0005344300000000, -0.0002373600000000, -0.0126648700000000 ] - [ -0.0002709800000000, 0.0005688100000000, -0.0181366300000000 ] - [ 0.0002842100000000, -0.0018253900000000, -0.0119986200000000 ] - [ 0.0003603600000000, -0.0007821600000000, -0.0161194100000000 ] - [ 0.0003078200000000, -0.0018861300000000, -0.0119204800000000 ] - [ -0.0028603000000000, 0.0128606700000000, 0.0260054200000000 ] - [ 0.0001402500000000, 0.0134764400000000, 0.0273278100000000 ] - [ -0.0018685500000000, 0.0137078700000000, 0.0261079000000000 ] - [ 0.0001192000000000, 0.0137540300000000, 0.0272970100000000 ] - [ 0.0023268400000000, 0.0110931000000000, 0.0255698000000000 ] - [ -0.0019179200000000, 0.0114098900000000, 0.0263632600000000 ] - [ 0.0009209900000000, 0.0120737600000000, 0.0258516800000000 ] - [ -0.0015017300000000, 0.0115743100000000, 0.0264449700000000 ] - [ -0.0013345500000000, 0.0021875100000000, -0.0123910900000000 ] - [ -0.0016001300000000, -0.0012142100000000, -0.0009250900000000 ] - [ -0.0005667500000000, -0.0039434900000000, -0.0001858700000000 ] - [ -0.0015497600000000, -0.0017514900000000, -0.0004782100000000 ] - [ 0.0017371200000000, -0.0010871700000000, -0.0015737200000000 ] - [ -0.0001147100000000, -0.0003000600000000, -0.0030496900000000 ] - [ 0.0010346800000000, -0.0021779500000000, -0.0007076400000000 ] - [ 0.0004768700000000, -0.0018699700000000, -0.0013914000000000 ] - [ -0.0008603600000000, -0.0030832000000000, -0.0018301100000000 ] - [ 0.0014598900000000, -0.0012256500000000, -0.0005563600000000 ] - [ 0.0006008500000000, -0.0006977400000000, -0.0001316800000000 ] - [ 0.0007992300000000, -0.0004239400000000, 0.0002363600000000 ] - [ 0.0095078400000000, 0.0132399300000000, -0.0595161900000000 ] - [ -0.0049394000000000, 0.0200067000000000, -0.0601105300000000 ] - [ -0.0000910800000000, 0.0199583800000000, -0.0584186300000000 ] - [ -0.0020908400000000, 0.0215114400000000, -0.0607777600000000 ] - [ 0.0154219100000000, 0.0260482500000000, 0.1194383000000000 ] - [ 0.0010117600000000, -0.0035427400000000, 0.0054347400000000 ] - [ 0.0017276600000000, -0.0038403000000000, 0.0075037700000000 ] - [ 0.0010458400000000, -0.0038843600000000, 0.0050062500000000 ] - [ -0.0020862100000000, -0.0004520700000000, 0.0064604100000000 ] - [ -0.0022254800000000, -0.0009092900000000, 0.0071684600000000 ] - [ -0.0013265400000000, -0.0021897100000000, 0.0043729800000000 ] - [ -0.0015267200000000, -0.0019848400000000, 0.0044946700000000 ] - [ -0.0008206600000000, 0.0013476900000000, -0.0087783900000000 ] - [ -0.0008676200000000, 0.0014066200000000, -0.0093919400000000 ] - [ -0.0011149300000000, 0.0012670700000000, -0.0105965500000000 ] - [ -0.0027143500000000, -0.0010887300000000, -0.0110172100000000 ] - [ 0.0024315800000000, 0.0119164200000000, -0.0022016500000000 ] - [ 0.0002183400000000, 0.0022508800000000, -0.0106688800000000 ] - [ 0.0021808600000000, -0.0002910200000000, -0.0090616500000000 ] - [ 0.0002253400000000, 0.0021441600000000, -0.0111795500000000 ] - [ 0.0162890300000000, -0.0116784200000000, 0.0238488500000000 ] - [ -0.0021848000000000, -0.0141971900000000, 0.0281862700000000 ] - [ 0.0008425100000000, -0.0142868800000000, 0.0285012300000000 ] - [ -0.0010671900000000, -0.0140959800000000, 0.0278379400000000 ] - [ -0.0127077400000000, -0.0044795300000000, 0.0230262900000000 ] - [ 0.0009424200000000, -0.0107428900000000, 0.0273264000000000 ] - [ -0.0014037500000000, -0.0125135700000000, 0.0264320500000000 ] - [ -0.0009985200000000, -0.0111546000000000, 0.0270318300000000 ] - [ -0.0018625800000000, 0.0032815100000000, 0.0017229000000000 ] - [ -0.0015422500000000, 0.0015459100000000, -0.0003690600000000 ] - [ -0.0017614300000000, -0.0082410600000000, -0.0264324100000000 ] - [ -0.0015011200000000, 0.0014447600000000, -0.0004212300000000 ] - [ 0.0005646000000000, 0.0014066000000000, -0.0012899700000000 ] - [ 0.0010612700000000, 0.0019571300000000, -0.0005306500000000 ] - [ -0.0007177400000000, 0.0010897900000000, -0.0027205900000000 ] - [ 0.0015539600000000, 0.0012039100000000, -0.0009066000000000 ] - [ 0.0016888300000000, 0.0013767300000000, -0.0004136500000000 ] - [ -0.0005154600000000, 0.0015169900000000, -0.0017013100000000 ] - [ 0.0008346100000000, 0.0003046600000000, 0.0001814700000000 ] - [ 0.0003565000000000, 0.0006724000000000, -0.0005061300000000 ] - [ -0.0037251900000000, -0.0212298100000000, -0.0629560000000000 ] - [ -0.0005984600000000, -0.0218845400000000, -0.0615199700000000 ] - [ -0.0025840900000000, -0.0226556900000000, -0.0624494300000000 ] - [ -0.0008499900000000, -0.0220085300000000, -0.0613534100000000 ] - [ 0.0010627600000000, 0.0045378500000000, -0.0008632700000000 ] - [ 0.0011117100000000, 0.0039387500000000, 0.0041675100000000 ] - [ 0.0009014000000000, 0.0043372400000000, 0.0005683800000000 ] - [ 0.0010719900000000, 0.0039750800000000, 0.0043425700000000 ] - [ -0.0011416200000000, 0.0022261700000000, 0.0024627100000000 ] - [ -0.0010512200000000, 0.0022676300000000, 0.0019817100000000 ] - [ -0.0010660600000000, 0.0023577100000000, 0.0026005100000000 ] - [ -0.0008636600000000, 0.0020888100000000, 0.0025030200000000 ]- atom: 101 displacement: [ 0.0099999993466229, 0.0000000000000000, -0.0000036149054082 ] forces: - [ 0.0030827600000000, 0.0060514500000000, 0.0048431300000000 ] - [ 0.0003949300000000, 0.0063169300000000, 0.0051898000000000 ] - [ 0.0028053400000000, 0.0063740200000000, 0.0049047600000000 ] - [ 0.0006158200000000, 0.0063381300000000, 0.0050691500000000 ] - [ -0.0027362100000000, -0.0022455600000000, -0.0048987200000000 ] - [ -0.0011012300000000, -0.0000755400000000, -0.0054511200000000 ] - [ -0.0042063900000000, -0.0017320100000000, -0.0054316900000000 ] - [ 0.0077296200000000, -0.0084083400000000, -0.0038809900000000 ] - [ 0.0037933700000000, -0.0085288900000000, 0.0054080300000000 ] - [ 0.0002891600000000, -0.0055316100000000, 0.0044922500000000 ] - [ 0.0102091300000000, -0.0089790400000000, 0.0011327100000000 ] - [ -0.0007270400000000, -0.0071442700000000, 0.0045852300000000 ] - [ -0.0024165600000000, 0.0022364800000000, -0.0046111800000000 ] - [ -0.0008355200000000, 0.0015422200000000, -0.0051193000000000 ] - [ -0.0022445300000000, 0.0022553000000000, -0.0047397600000000 ] - [ -0.0008501200000000, 0.0022113700000000, -0.0046355600000000 ] - [ -0.0118594600000000, -0.0172598200000000, -0.0256168500000000 ] - [ -0.0068590700000000, -0.0167075200000000, -0.0236601400000000 ] - [ -0.0117899000000000, -0.0175342800000000, -0.0255892700000000 ] - [ -0.0066239400000000, -0.0184773200000000, -0.0250096200000000 ] - [ 0.0100009100000000, -0.0155062900000000, -0.0249631000000000 ] - [ 0.0084211900000000, -0.0142515400000000, -0.0214147000000000 ] - [ 0.0093871200000000, -0.0148581100000000, -0.0247665700000000 ] - [ 0.0086471200000000, -0.0157871600000000, -0.0213085100000000 ] - [ 0.0153904500000000, -0.0271357000000000, 0.0670537700000000 ] - [ 0.0494652800000000, -0.0334225900000000, 0.0574487600000000 ] - [ 0.0173386500000000, -0.0265641500000000, 0.0668986500000000 ] - [ 0.0250319200000000, -0.0251029000000000, 0.0657108900000000 ] - [ -0.0285542300000000, -0.0256086700000000, 0.0642094200000000 ] - [ -0.0317738300000000, -0.0181686600000000, 0.0694599000000000 ] - [ -0.0244658700000000, -0.0214497400000000, 0.0664136300000000 ] - [ -0.0223578500000000, -0.0248935800000000, 0.0683778000000000 ] - [ -0.0131403900000000, 0.0169778100000000, -0.0254979900000000 ] - [ 0.0125544300000000, 0.0134701000000000, -0.0230963300000000 ] - [ -0.0119736800000000, 0.0174856100000000, -0.0253979800000000 ] - [ -0.0053617100000000, 0.0190704400000000, -0.0255688400000000 ] - [ 0.0038280300000000, 0.0136801900000000, -0.0202734700000000 ] - [ 0.0028756800000000, 0.0173828000000000, -0.0261264400000000 ] - [ 0.0077563200000000, 0.0173340800000000, -0.0216921800000000 ] - [ 0.0092048900000000, 0.0141926600000000, -0.0248743100000000 ] - [ -0.0223526800000000, 0.0218197100000000, 0.0695492800000000 ] - [ -0.0227054800000000, 0.0243599200000000, 0.0678266700000000 ] - [ -0.0230385600000000, 0.0236030400000000, 0.0706537300000000 ] - [ -0.0221504400000000, 0.0224938300000000, 0.0675852700000000 ] - [ 0.0178774200000000, 0.0265980100000000, 0.0670705700000000 ] - [ 0.0226424600000000, 0.0268982500000000, 0.0672665500000000 ] - [ 0.0179265000000000, 0.0263798800000000, 0.0669968800000000 ] - [ 0.0225851400000000, 0.0260171500000000, 0.0685801700000000 ] - [ 0.0034625300000000, -0.0009340200000000, -0.0006925600000000 ] - [ 0.0035335500000000, -0.0058156400000000, -0.0036431000000000 ] - [ 0.0030032700000000, -0.0028259000000000, -0.0011206600000000 ] - [ 0.0046577800000000, -0.0007428000000000, -0.0051829700000000 ] - [ 0.0061317100000000, 0.0355861800000000, -0.0602851500000000 ] - [ 0.0176776700000000, 0.0237178100000000, -0.0741577900000000 ] - [ 0.0046562500000000, 0.0350474100000000, -0.0606950700000000 ] - [ 0.0002695000000000, 0.0347758200000000, -0.0609389600000000 ] - [ 0.0036175400000000, 0.0041738100000000, -0.0042620800000000 ] - [ 0.0031448800000000, 0.0011065900000000, -0.0001600000000000 ] - [ 0.0030462400000000, 0.0029460500000000, -0.0028659800000000 ] - [ 0.0025982500000000, 0.0026933600000000, -0.0017476400000000 ] - [ 0.0040350700000000, -0.0351413600000000, -0.0609486200000000 ] - [ 0.0013799600000000, -0.0353155400000000, -0.0609442400000000 ] - [ 0.0041698200000000, -0.0352502200000000, -0.0610527200000000 ] - [ 0.0009208700000000, -0.0346211600000000, -0.0608692300000000 ] - [ -0.0001276100000000, -0.0004518900000000, -0.0117289500000000 ] - [ -0.0012166100000000, -0.0004235800000000, -0.0118984300000000 ] - [ -0.0001643100000000, -0.0004492800000000, -0.0117763200000000 ] - [ -0.0012065200000000, -0.0003737300000000, -0.0121947100000000 ] - [ 0.0002752800000000, -0.0020932500000000, -0.0114273600000000 ] - [ 0.0005830100000000, -0.0018877200000000, -0.0118088500000000 ] - [ 0.0003402900000000, -0.0022394300000000, -0.0115450200000000 ] - [ 0.0004870600000000, -0.0016171800000000, -0.0119970900000000 ] - [ 0.0008675400000000, 0.0137056900000000, 0.0276905300000000 ] - [ -0.0011774500000000, 0.0136278000000000, 0.0275069300000000 ] - [ 0.0007740700000000, 0.0136459600000000, 0.0276428600000000 ] - [ -0.0015085100000000, 0.0141273700000000, 0.0273527600000000 ] - [ -0.0028109100000000, 0.0114085400000000, 0.0267913000000000 ] - [ 0.0009229200000000, 0.0111658400000000, 0.0265872400000000 ] - [ -0.0025771500000000, 0.0113819500000000, 0.0269378200000000 ] - [ 0.0007873700000000, 0.0112700000000000, 0.0265978300000000 ] - [ -0.0013172000000000, -0.0018591700000000, 0.0004118900000000 ] - [ -0.0004408900000000, -0.0006906000000000, -0.0019501100000000 ] - [ -0.0015447400000000, -0.0018484100000000, 0.0000458500000000 ] - [ -0.0011723400000000, -0.0016703900000000, -0.0007671300000000 ] - [ -0.0019481200000000, 0.0005771500000000, -0.0018400100000000 ] - [ 0.0014439400000000, -0.0015180000000000, -0.0009534900000000 ] - [ 0.0001147500000000, -0.0022309500000000, -0.0009096300000000 ] - [ 0.0012710200000000, -0.0016829400000000, -0.0008415100000000 ] - [ 0.0012732000000000, -0.0006444000000000, 0.0000275000000000 ] - [ 0.0009874900000000, -0.0055853800000000, -0.0018648700000000 ] - [ 0.0011346300000000, -0.0006973600000000, 0.0001734400000000 ] - [ -0.0015569200000000, 0.0002872700000000, -0.0013627200000000 ] - [ 0.0013665100000000, 0.0301332900000000, -0.0568550400000000 ] - [ 0.0028890000000000, 0.0208476300000000, -0.0609106700000000 ] - [ -0.0026885000000000, 0.0177744900000000, -0.0576715500000000 ] - [ 0.0001471200000000, 0.0220526600000000, -0.0611713800000000 ] - [ 0.0072989300000000, -0.0003742900000000, 0.0056156300000000 ] - [ 0.0048480500000000, -0.0044615000000000, 0.0057131100000000 ] - [ 0.0015367000000000, -0.0042245700000000, 0.0048270200000000 ] - [ 0.0013876800000000, -0.0035943300000000, 0.0050248900000000 ] - [ -0.0906024700000000, 0.0276544100000000, 0.0197774000000000 ] - [ -0.0001601500000000, -0.0021591100000000, 0.0034574700000000 ] - [ -0.0023744900000000, -0.0021657400000000, 0.0040991800000000 ] - [ -0.0005028700000000, -0.0022953300000000, 0.0035187100000000 ] - [ 0.0002428800000000, 0.0004675300000000, -0.0116760000000000 ] - [ -0.0048683600000000, -0.0063355600000000, -0.0092714100000000 ] - [ 0.0001684600000000, 0.0004011100000000, -0.0117723700000000 ] - [ -0.0049434100000000, 0.0011848100000000, -0.0106521400000000 ] - [ 0.0010882300000000, 0.0029671900000000, -0.0112966900000000 ] - [ 0.0011996800000000, 0.0009105800000000, -0.0110719900000000 ] - [ 0.0042988700000000, -0.0012583800000000, -0.0111682800000000 ] - [ 0.0025323000000000, 0.0052491600000000, -0.0100559200000000 ] - [ 0.0022798400000000, -0.0134731900000000, 0.0272552800000000 ] - [ 0.0114911800000000, -0.0186691700000000, 0.0381485600000000 ] - [ 0.0013788600000000, -0.0139794100000000, 0.0275379800000000 ] - [ -0.0018040100000000, -0.0142672100000000, 0.0279320600000000 ] - [ 0.0008561800000000, -0.0049764800000000, 0.0202044500000000 ] - [ 0.0023654700000000, -0.0113770400000000, 0.0268352600000000 ] - [ -0.0027646200000000, -0.0154711200000000, 0.0250649000000000 ] - [ 0.0005114100000000, -0.0109646000000000, 0.0269552800000000 ] - [ -0.0012754900000000, 0.0009502200000000, -0.0010890700000000 ] - [ -0.0012491900000000, 0.0015160300000000, -0.0005706900000000 ] - [ 0.0004400000000000, 0.0020286100000000, -0.0037495800000000 ] - [ -0.0009338400000000, 0.0024571200000000, 0.0004909200000000 ] - [ -0.0000481400000000, 0.0009510500000000, -0.0019179500000000 ] - [ 0.0012831800000000, 0.0014193400000000, -0.0010039700000000 ] - [ -0.0035550000000000, 0.0025025900000000, -0.0047400100000000 ] - [ 0.0014090000000000, 0.0016377100000000, -0.0008236400000000 ] - [ 0.0011243300000000, 0.0007747300000000, -0.0000282200000000 ] - [ 0.0014458100000000, -0.0005053800000000, 0.0019239400000000 ] - [ 0.0009762000000000, 0.0007567700000000, -0.0001316500000000 ] - [ 0.0000305500000000, 0.0007793900000000, -0.0006543500000000 ] - [ -0.0026949100000000, -0.0214029800000000, -0.0612390600000000 ] - [ 0.0000437000000000, -0.0219934600000000, -0.0609948700000000 ] - [ -0.0024906200000000, -0.0216219900000000, -0.0613200000000000 ] - [ -0.0002663000000000, -0.0217520400000000, -0.0610391100000000 ] - [ 0.0010645500000000, 0.0040831700000000, 0.0046372000000000 ] - [ 0.0014685400000000, 0.0034414400000000, 0.0045545300000000 ] - [ 0.0011143600000000, 0.0040150400000000, 0.0045625200000000 ] - [ 0.0013850000000000, 0.0039222600000000, 0.0043668600000000 ] - [ -0.0018028200000000, 0.0017036700000000, 0.0035419500000000 ] - [ -0.0006800800000000, 0.0020945800000000, 0.0035025200000000 ] - [ -0.0018312700000000, 0.0020990500000000, 0.0034094400000000 ] - [ -0.0006631700000000, 0.0021968400000000, 0.0034831900000000 ]- atom: 101 displacement: [ -0.0099999993466229, 0.0000000000000000, 0.0000036149054082 ] forces: - [ 0.0004009500000000, 0.0064418200000000, 0.0049032100000000 ] - [ 0.0030542300000000, 0.0061814500000000, 0.0045438500000000 ] - [ 0.0006647900000000, 0.0061327700000000, 0.0048361400000000 ] - [ 0.0028329200000000, 0.0061699600000000, 0.0046651700000000 ] - [ -0.0003211100000000, -0.0019209600000000, -0.0049004700000000 ] - [ -0.0019974000000000, -0.0040673900000000, -0.0043516800000000 ] - [ 0.0011333300000000, -0.0024405700000000, -0.0043696000000000 ] - [ -0.0115148300000000, 0.0038258300000000, -0.0058626300000000 ] - [ -0.0003008500000000, -0.0039319200000000, 0.0043152700000000 ] - [ 0.0031621700000000, -0.0069716900000000, 0.0052436700000000 ] - [ -0.0064511300000000, -0.0039351600000000, 0.0084369200000000 ] - [ 0.0041907000000000, -0.0053599900000000, 0.0051540800000000 ] - [ -0.0006392400000000, 0.0019338700000000, -0.0051839400000000 ] - [ -0.0022538200000000, 0.0026179900000000, -0.0046832500000000 ] - [ -0.0008125700000000, 0.0019223600000000, -0.0050570600000000 ] - [ -0.0022174200000000, 0.0019723800000000, -0.0051582800000000 ] - [ -0.0074435500000000, -0.0182574900000000, -0.0253855900000000 ] - [ -0.0124217500000000, -0.0187508700000000, -0.0272653700000000 ] - [ -0.0075138700000000, -0.0179866200000000, -0.0254131300000000 ] - [ -0.0126891000000000, -0.0171008900000000, -0.0259789700000000 ] - [ 0.0087128400000000, -0.0148500100000000, -0.0221687900000000 ] - [ 0.0102479000000000, -0.0161109400000000, -0.0257157700000000 ] - [ 0.0093185500000000, -0.0155119800000000, -0.0223666500000000 ] - [ 0.0100345700000000, -0.0145916500000000, -0.0258389500000000 ] - [ 0.0246155200000000, -0.0252163700000000, 0.0669202000000000 ] - [ -0.0093031600000000, -0.0189160000000000, 0.0765040800000000 ] - [ 0.0226659200000000, -0.0257788500000000, 0.0670753500000000 ] - [ 0.0150000300000000, -0.0272167300000000, 0.0682366900000000 ] - [ -0.0159929400000000, -0.0204357300000000, 0.0723356800000000 ] - [ -0.0128066100000000, -0.0278456000000000, 0.0671093100000000 ] - [ -0.0201229200000000, -0.0245145000000000, 0.0701469700000000 ] - [ -0.0222194200000000, -0.0210668800000000, 0.0681929900000000 ] - [ -0.0061627400000000, 0.0185375700000000, -0.0254997100000000 ] - [ -0.0317990100000000, 0.0220192900000000, -0.0280434300000000 ] - [ -0.0073331500000000, 0.0180392400000000, -0.0255959900000000 ] - [ -0.0139134600000000, 0.0164877400000000, -0.0254130500000000 ] - [ 0.0148692200000000, 0.0166459100000000, -0.0268262900000000 ] - [ 0.0158371100000000, 0.0129573800000000, -0.0209834600000000 ] - [ 0.0109209600000000, 0.0130545500000000, -0.0254171800000000 ] - [ 0.0094833900000000, 0.0161927200000000, -0.0222301400000000 ] - [ -0.0222002400000000, 0.0241649700000000, 0.0670422700000000 ] - [ -0.0218904200000000, 0.0216143900000000, 0.0687609800000000 ] - [ -0.0215269000000000, 0.0223857700000000, 0.0659452000000000 ] - [ -0.0224368800000000, 0.0234854900000000, 0.0690021100000000 ] - [ 0.0221315400000000, 0.0257475300000000, 0.0669080200000000 ] - [ 0.0173822300000000, 0.0255165700000000, 0.0666989300000000 ] - [ 0.0220767000000000, 0.0259656100000000, 0.0669830200000000 ] - [ 0.0174142200000000, 0.0263023200000000, 0.0653845500000000 ] - [ 0.0019009300000000, -0.0045962400000000, -0.0034270800000000 ] - [ 0.0018448400000000, 0.0002855900000000, -0.0004830700000000 ] - [ 0.0023662000000000, -0.0027129800000000, -0.0029936700000000 ] - [ 0.0006898200000000, -0.0048101500000000, 0.0010977700000000 ] - [ -0.0010577000000000, 0.0346524000000000, -0.0614922300000000 ] - [ -0.0127242500000000, 0.0467109200000000, -0.0473988600000000 ] - [ 0.0004229100000000, 0.0351754900000000, -0.0610880900000000 ] - [ 0.0048085900000000, 0.0354364800000000, -0.0608427800000000 ] - [ 0.0017497800000000, 0.0013769600000000, 0.0001235800000000 ] - [ 0.0022273300000000, 0.0044479400000000, -0.0039840300000000 ] - [ 0.0023245000000000, 0.0025964600000000, -0.0012678900000000 ] - [ 0.0027743600000000, 0.0028493700000000, -0.0023874400000000 ] - [ 0.0010332300000000, -0.0350863500000000, -0.0608360900000000 ] - [ 0.0037195600000000, -0.0349188600000000, -0.0608402000000000 ] - [ 0.0009070200000000, -0.0349768400000000, -0.0607328000000000 ] - [ 0.0041690400000000, -0.0356025700000000, -0.0609173800000000 ] - [ -0.0011920000000000, -0.0005103800000000, -0.0115243700000000 ] - [ -0.0001051200000000, -0.0005416700000000, -0.0113567800000000 ] - [ -0.0011559100000000, -0.0005140500000000, -0.0114775500000000 ] - [ -0.0001150200000000, -0.0005816300000000, -0.0110617400000000 ] - [ 0.0005191200000000, -0.0019346700000000, -0.0115048100000000 ] - [ 0.0002229700000000, -0.0021406800000000, -0.0111214000000000 ] - [ 0.0004565400000000, -0.0017871400000000, -0.0113887700000000 ] - [ 0.0003187000000000, -0.0024142100000000, -0.0109294900000000 ] - [ -0.0013723700000000, 0.0138954700000000, 0.0275961400000000 ] - [ 0.0007003900000000, 0.0139674800000000, 0.0277734700000000 ] - [ -0.0012762100000000, 0.0139560100000000, 0.0276433400000000 ] - [ 0.0010252000000000, 0.0134824000000000, 0.0279353300000000 ] - [ 0.0009448300000000, 0.0111303600000000, 0.0267341800000000 ] - [ -0.0027544300000000, 0.0113765000000000, 0.0269412100000000 ] - [ 0.0007227400000000, 0.0111660300000000, 0.0265915900000000 ] - [ -0.0026253900000000, 0.0112730100000000, 0.0269326300000000 ] - [ -0.0015639400000000, -0.0011887400000000, -0.0015300700000000 ] - [ -0.0024307600000000, -0.0023606300000000, 0.0008246200000000 ] - [ -0.0013323400000000, -0.0012136600000000, -0.0011582100000000 ] - [ -0.0016994700000000, -0.0013920900000000, -0.0003497100000000 ] - [ 0.0035215500000000, -0.0036726700000000, -0.0006193900000000 ] - [ 0.0001414000000000, -0.0016165800000000, -0.0014297100000000 ] - [ 0.0014663300000000, -0.0009311400000000, -0.0014557700000000 ] - [ 0.0003143900000000, -0.0014554400000000, -0.0015381200000000 ] - [ -0.0000472100000000, -0.0008212300000000, -0.0004518600000000 ] - [ 0.0002451500000000, 0.0039076200000000, 0.0013446500000000 ] - [ 0.0000916000000000, -0.0007693800000000, -0.0005968300000000 ] - [ 0.0027967100000000, -0.0017453700000000, 0.0009555700000000 ] - [ -0.0041028300000000, 0.0132690900000000, -0.0650834100000000 ] - [ -0.0055907100000000, 0.0225014000000000, -0.0610585800000000 ] - [ -0.0000246600000000, 0.0255267900000000, -0.0642619800000000 ] - [ -0.0028504500000000, 0.0212864600000000, -0.0607995700000000 ] - [ -0.0047644400000000, -0.0072334700000000, 0.0038767700000000 ] - [ -0.0024276700000000, -0.0031883300000000, 0.0037585000000000 ] - [ 0.0009025600000000, -0.0034501700000000, 0.0046507500000000 ] - [ 0.0010612300000000, -0.0040774600000000, 0.0044537100000000 ] - [ 0.0884887400000000, -0.0308077200000000, -0.0123162500000000 ] - [ -0.0023190200000000, -0.0018598300000000, 0.0038789500000000 ] - [ -0.0001070900000000, -0.0018744400000000, 0.0032398600000000 ] - [ -0.0019750800000000, -0.0017292300000000, 0.0038165000000000 ] - [ -0.0015628300000000, 0.0004965700000000, -0.0115754500000000 ] - [ 0.0036177200000000, 0.0071753300000000, -0.0139411600000000 ] - [ -0.0014877600000000, 0.0005575500000000, -0.0114824300000000 ] - [ 0.0036153900000000, -0.0002427300000000, -0.0126001100000000 ] - [ -0.0002971100000000, 0.0010704300000000, -0.0116324000000000 ] - [ -0.0003934900000000, 0.0031277900000000, -0.0118553000000000 ] - [ -0.0034669600000000, 0.0052607400000000, -0.0117596700000000 ] - [ -0.0017626000000000, -0.0012720100000000, -0.0128981000000000 ] - [ -0.0027775200000000, -0.0141240800000000, 0.0280257300000000 ] - [ -0.0121617600000000, -0.0088591400000000, 0.0169328800000000 ] - [ -0.0018745600000000, -0.0136279300000000, 0.0277481400000000 ] - [ 0.0013029000000000, -0.0133455600000000, 0.0273562300000000 ] - [ -0.0027114100000000, -0.0175068000000000, 0.0332650300000000 ] - [ -0.0042086600000000, -0.0111610200000000, 0.0266921800000000 ] - [ 0.0009121200000000, -0.0071259900000000, 0.0284403800000000 ] - [ -0.0023482500000000, -0.0115806000000000, 0.0265708300000000 ] - [ -0.0016010300000000, 0.0020921700000000, -0.0000384200000000 ] - [ -0.0016224400000000, 0.0015309900000000, -0.0005583200000000 ] - [ -0.0032978700000000, 0.0010420600000000, 0.0025973300000000 ] - [ -0.0019372100000000, 0.0005963800000000, -0.0016221600000000 ] - [ 0.0016289800000000, 0.0021596700000000, -0.0004787300000000 ] - [ 0.0003027800000000, 0.0017126600000000, -0.0013810800000000 ] - [ 0.0051120700000000, 0.0006951400000000, 0.0024267400000000 ] - [ 0.0001760300000000, 0.0014984900000000, -0.0015608700000000 ] - [ 0.0001011200000000, 0.0006946600000000, -0.0004004200000000 ] - [ -0.0001971900000000, 0.0018581900000000, -0.0021814900000000 ] - [ 0.0002497000000000, 0.0007112000000000, -0.0002967100000000 ] - [ 0.0011932200000000, 0.0006945600000000, 0.0002179900000000 ] - [ -0.0000297700000000, -0.0219451400000000, -0.0607359000000000 ] - [ -0.0027421300000000, -0.0213467900000000, -0.0609783500000000 ] - [ -0.0002271700000000, -0.0217192800000000, -0.0606557100000000 ] - [ -0.0024328800000000, -0.0215898400000000, -0.0609343600000000 ] - [ 0.0013720300000000, 0.0035797100000000, 0.0048397600000000 ] - [ 0.0009800900000000, 0.0042188400000000, 0.0049261500000000 ] - [ 0.0013235700000000, 0.0036500800000000, 0.0049153800000000 ] - [ 0.0010621100000000, 0.0037441500000000, 0.0051153500000000 ] - [ -0.0006789600000000, 0.0023036100000000, 0.0037900400000000 ] - [ -0.0017982500000000, 0.0019262700000000, 0.0038340700000000 ] - [ -0.0006469400000000, 0.0019319300000000, 0.0039227500000000 ] - [ -0.0018145800000000, 0.0018268800000000, 0.0038516800000000 ]- atom: 101 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002110900000000, 0.0072651900000000, 0.0038117700000000 ] - [ 0.0021999300000000, 0.0066980800000000, 0.0045181700000000 ] - [ 0.0013960700000000, 0.0049846100000000, 0.0048415900000000 ] - [ 0.0018937700000000, 0.0056959300000000, 0.0049006500000000 ] - [ -0.0016918400000000, -0.0031895300000000, -0.0045511500000000 ] - [ 0.0023180900000000, -0.0077039000000000, -0.0047087100000000 ] - [ 0.0002900100000000, -0.0009893400000000, -0.0043645200000000 ] - [ -0.0092414000000000, 0.0060482600000000, -0.0018646900000000 ] - [ -0.0027640400000000, -0.0121908300000000, 0.0068066300000000 ] - [ 0.0023118400000000, -0.0071239600000000, 0.0053449500000000 ] - [ 0.0044122300000000, -0.0010854000000000, 0.0078197200000000 ] - [ 0.0014718800000000, -0.0053629200000000, 0.0048069000000000 ] - [ -0.0015261900000000, 0.0027075200000000, -0.0049673900000000 ] - [ -0.0006374300000000, 0.0039731300000000, -0.0048572700000000 ] - [ -0.0012349900000000, 0.0013978700000000, -0.0052470100000000 ] - [ -0.0016063100000000, 0.0005808500000000, -0.0054446000000000 ] - [ -0.0091347200000000, -0.0184258400000000, -0.0254459700000000 ] - [ -0.0117561300000000, -0.0236635700000000, -0.0320324900000000 ] - [ -0.0093418000000000, -0.0171680100000000, -0.0255770500000000 ] - [ -0.0083423400000000, -0.0097405800000000, -0.0227147400000000 ] - [ 0.0082628600000000, -0.0168718100000000, -0.0239827400000000 ] - [ 0.0109883800000000, -0.0168629700000000, -0.0251696800000000 ] - [ 0.0094092900000000, -0.0138098600000000, -0.0229242700000000 ] - [ 0.0089662800000000, -0.0126541100000000, -0.0227815200000000 ] - [ 0.0209743800000000, -0.0257355100000000, 0.0670733100000000 ] - [ 0.0131238800000000, 0.0304585000000000, 0.1054054000000000 ] - [ 0.0209405100000000, -0.0263264300000000, 0.0673617800000000 ] - [ 0.0175318800000000, -0.0345843500000000, 0.0710986800000000 ] - [ -0.0289422900000000, -0.0177974500000000, 0.0688670800000000 ] - [ -0.0125583500000000, -0.0241308100000000, 0.0687069100000000 ] - [ -0.0190402000000000, -0.0258701500000000, 0.0709027800000000 ] - [ -0.0235018900000000, -0.0250093400000000, 0.0692020100000000 ] - [ -0.0091508600000000, 0.0184018100000000, -0.0252814100000000 ] - [ -0.0124538400000000, 0.0492822200000000, -0.0296936100000000 ] - [ -0.0087880200000000, 0.0174057200000000, -0.0258072500000000 ] - [ -0.0115408500000000, 0.0087305500000000, -0.0297830500000000 ] - [ 0.0064676700000000, 0.0199406800000000, -0.0239617800000000 ] - [ 0.0106322800000000, 0.0166868400000000, -0.0228977700000000 ] - [ 0.0114841000000000, 0.0111654500000000, -0.0259226300000000 ] - [ 0.0084424800000000, 0.0135394800000000, -0.0247099700000000 ] - [ -0.0232121400000000, 0.0220715400000000, 0.0675719600000000 ] - [ -0.0210087400000000, 0.0227052300000000, 0.0676974600000000 ] - [ -0.0211553000000000, 0.0232137000000000, 0.0662445800000000 ] - [ -0.0232149100000000, 0.0233887600000000, 0.0683052200000000 ] - [ 0.0202908800000000, 0.0259422500000000, 0.0666477800000000 ] - [ 0.0189967300000000, 0.0221366600000000, 0.0674415400000000 ] - [ 0.0207298900000000, 0.0262952900000000, 0.0669246400000000 ] - [ 0.0182047200000000, 0.0258886400000000, 0.0623907800000000 ] - [ 0.0036689200000000, -0.0022197800000000, -0.0014613800000000 ] - [ 0.0012382900000000, -0.0007241800000000, -0.0005672800000000 ] - [ 0.0022303300000000, -0.0031611300000000, -0.0031544700000000 ] - [ 0.0045111900000000, -0.0019766000000000, -0.0052018600000000 ] - [ 0.0031802000000000, 0.0342553500000000, -0.0613414100000000 ] - [ -0.0173187800000000, 0.0294929900000000, -0.0575094800000000 ] - [ 0.0010512600000000, 0.0357553300000000, -0.0610211200000000 ] - [ 0.0043761800000000, 0.0373431700000000, -0.0608970200000000 ] - [ 0.0031760700000000, 0.0024758600000000, -0.0021336900000000 ] - [ 0.0023600900000000, 0.0026756300000000, -0.0020543200000000 ] - [ 0.0022219600000000, 0.0026232100000000, -0.0011021800000000 ] - [ 0.0027107200000000, 0.0027983800000000, -0.0016170000000000 ] - [ 0.0026818200000000, -0.0348383000000000, -0.0608523600000000 ] - [ 0.0014337400000000, -0.0343632400000000, -0.0608709800000000 ] - [ 0.0015809300000000, -0.0353250700000000, -0.0606661200000000 ] - [ 0.0040682900000000, -0.0357853300000000, -0.0604669700000000 ] - [ -0.0008081100000000, -0.0005247900000000, -0.0115277700000000 ] - [ -0.0006897500000000, -0.0005702100000000, -0.0107960800000000 ] - [ -0.0007675100000000, -0.0004974500000000, -0.0114936000000000 ] - [ -0.0005630500000000, -0.0004906200000000, -0.0108452600000000 ] - [ 0.0007468300000000, -0.0020311200000000, -0.0112842400000000 ] - [ 0.0001692600000000, -0.0022172000000000, -0.0110796200000000 ] - [ 0.0003665000000000, -0.0019318100000000, -0.0111759900000000 ] - [ 0.0003694200000000, -0.0019044200000000, -0.0114731700000000 ] - [ 0.0000238300000000, 0.0142213100000000, 0.0277337100000000 ] - [ -0.0010842000000000, 0.0147465300000000, 0.0282075500000000 ] - [ -0.0005490700000000, 0.0135199500000000, 0.0276199900000000 ] - [ -0.0002311900000000, 0.0126171600000000, 0.0276147100000000 ] - [ 0.0009007600000000, 0.0117165000000000, 0.0271505500000000 ] - [ -0.0019444900000000, 0.0113633600000000, 0.0268949200000000 ] - [ -0.0007799500000000, 0.0105622400000000, 0.0264831700000000 ] - [ -0.0008392200000000, 0.0110715900000000, 0.0267256800000000 ] - [ -0.0009434400000000, -0.0028510400000000, -0.0000814400000000 ] - [ -0.0022326500000000, -0.0032752400000000, 0.0010162700000000 ] - [ -0.0014437700000000, -0.0000834600000000, -0.0017958700000000 ] - [ -0.0014148500000000, -0.0000587500000000, -0.0015929700000000 ] - [ 0.0031332900000000, -0.0102471500000000, 0.0081327700000000 ] - [ 0.0006317100000000, -0.0020213200000000, -0.0008888700000000 ] - [ 0.0009951900000000, 0.0019061000000000, -0.0035248000000000 ] - [ 0.0006350700000000, -0.0010450900000000, -0.0017178500000000 ] - [ 0.0004963700000000, -0.0005283700000000, -0.0001730000000000 ] - [ -0.0011244000000000, 0.0170976700000000, 0.0060678000000000 ] - [ 0.0004692800000000, -0.0009165500000000, -0.0004524900000000 ] - [ 0.0010063200000000, 0.0020633600000000, -0.0076579700000000 ] - [ 0.0114033900000000, 0.0285590100000000, -0.0573587700000000 ] - [ -0.0035784800000000, 0.0221757300000000, -0.0612627500000000 ] - [ -0.0021074900000000, 0.0267955200000000, -0.0649023400000000 ] - [ -0.0012872000000000, 0.0217093200000000, -0.0609813500000000 ] - [ -0.0026006500000000, -0.0095238700000000, 0.0031752300000000 ] - [ 0.0016674600000000, -0.0073850400000000, 0.0036268500000000 ] - [ 0.0016600900000000, -0.0017599000000000, 0.0049285600000000 ] - [ 0.0009263600000000, -0.0023891100000000, 0.0047252900000000 ] - [ 0.0282545800000000, -0.1531812700000000, -0.0361757500000000 ] - [ -0.0013829200000000, -0.0024561500000000, 0.0034482600000000 ] - [ -0.0013782800000000, 0.0022654700000000, 0.0035409400000000 ] - [ -0.0015151500000000, -0.0016018800000000, 0.0037354000000000 ] - [ -0.0008847400000000, 0.0004555700000000, -0.0118588200000000 ] - [ -0.0078424800000000, 0.0311571700000000, -0.0219421500000000 ] - [ -0.0008799800000000, 0.0005292300000000, -0.0115947400000000 ] - [ 0.0014002300000000, 0.0120984800000000, -0.0096127100000000 ] - [ 0.0015625600000000, 0.0012080200000000, -0.0118685900000000 ] - [ -0.0006374300000000, 0.0017194000000000, -0.0123901200000000 ] - [ -0.0050753700000000, 0.0064285900000000, -0.0118888800000000 ] - [ 0.0023619100000000, 0.0045968100000000, -0.0104047700000000 ] - [ -0.0002803600000000, -0.0144992800000000, 0.0279069800000000 ] - [ -0.0037904100000000, -0.0187656300000000, 0.0284842900000000 ] - [ -0.0014770200000000, -0.0130944700000000, 0.0276149500000000 ] - [ 0.0013083700000000, -0.0120096500000000, 0.0273365200000000 ] - [ 0.0064632500000000, -0.0105838800000000, 0.0228293200000000 ] - [ -0.0014472500000000, -0.0115548500000000, 0.0267032300000000 ] - [ -0.0010309200000000, -0.0066546500000000, 0.0286644000000000 ] - [ -0.0008549200000000, -0.0111261100000000, 0.0268429100000000 ] - [ -0.0011043800000000, 0.0034299000000000, -0.0001837600000000 ] - [ -0.0014193100000000, 0.0024938700000000, -0.0000190700000000 ] - [ -0.0036058700000000, -0.0011556300000000, 0.0021739700000000 ] - [ -0.0014894300000000, 0.0006551100000000, -0.0010098300000000 ] - [ 0.0007566400000000, 0.0053518700000000, -0.0001852100000000 ] - [ 0.0006509300000000, 0.0020384800000000, -0.0009112800000000 ] - [ 0.0024897500000000, -0.0032883000000000, 0.0109181300000000 ] - [ 0.0006838500000000, 0.0012131000000000, -0.0014652000000000 ] - [ 0.0005280900000000, 0.0006348600000000, -0.0002059100000000 ] - [ -0.0008674000000000, 0.0079374100000000, -0.0096316200000000 ] - [ 0.0005175600000000, 0.0007152700000000, -0.0000930700000000 ] - [ 0.0010964600000000, 0.0010262600000000, 0.0010914600000000 ] - [ -0.0002579200000000, -0.0212146500000000, -0.0609419500000000 ] - [ -0.0018732800000000, -0.0216375100000000, -0.0609148100000000 ] - [ -0.0014555400000000, -0.0214601100000000, -0.0603700700000000 ] - [ -0.0014069500000000, -0.0216254900000000, -0.0608698500000000 ] - [ 0.0013816100000000, 0.0043410300000000, 0.0049631800000000 ] - [ 0.0008890400000000, 0.0043966200000000, 0.0050037600000000 ] - [ 0.0014194500000000, 0.0029940300000000, 0.0050979000000000 ] - [ 0.0012905800000000, 0.0032235300000000, 0.0048291800000000 ] - [ -0.0009336500000000, 0.0034018000000000, 0.0040218600000000 ] - [ -0.0013176900000000, 0.0022266900000000, 0.0037786700000000 ] - [ -0.0013178300000000, 0.0004533800000000, 0.0046244100000000 ] - [ -0.0014177700000000, 0.0017103700000000, 0.0038081500000000 ]- atom: 101 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0032455200000000, 0.0052334900000000, 0.0059144600000000 ] - [ 0.0012499600000000, 0.0058061500000000, 0.0052089900000000 ] - [ 0.0020613300000000, 0.0075214800000000, 0.0048907000000000 ] - [ 0.0015582600000000, 0.0068103000000000, 0.0048328000000000 ] - [ -0.0013687700000000, -0.0009731000000000, -0.0052458500000000 ] - [ -0.0053427800000000, 0.0035244300000000, -0.0051028900000000 ] - [ -0.0033520300000000, -0.0031946200000000, -0.0054303500000000 ] - [ 0.0059472000000000, -0.0104498300000000, -0.0078873200000000 ] - [ 0.0061909000000000, -0.0002828000000000, 0.0029401800000000 ] - [ 0.0011419100000000, -0.0053746100000000, 0.0043930500000000 ] - [ -0.0004852800000000, -0.0118793000000000, 0.0017142600000000 ] - [ 0.0019795100000000, -0.0071522800000000, 0.0049325900000000 ] - [ -0.0015296500000000, 0.0014607800000000, -0.0048320200000000 ] - [ -0.0024313500000000, 0.0001905000000000, -0.0049616200000000 ] - [ -0.0018240300000000, 0.0027777300000000, -0.0045503100000000 ] - [ -0.0014492100000000, 0.0035962200000000, -0.0043541400000000 ] - [ -0.0101690800000000, -0.0170928600000000, -0.0255527600000000 ] - [ -0.0075350200000000, -0.0118486100000000, -0.0189841000000000 ] - [ -0.0099625900000000, -0.0183557900000000, -0.0254249300000000 ] - [ -0.0109487300000000, -0.0257814500000000, -0.0283175100000000 ] - [ 0.0104257200000000, -0.0134866700000000, -0.0231463800000000 ] - [ 0.0076987400000000, -0.0134944300000000, -0.0219610800000000 ] - [ 0.0092787600000000, -0.0165597800000000, -0.0242085400000000 ] - [ 0.0097256700000000, -0.0177114800000000, -0.0243504400000000 ] - [ 0.0190359600000000, -0.0266068900000000, 0.0669034000000000 ] - [ 0.0262772700000000, -0.0803112800000000, 0.0315694000000000 ] - [ 0.0190707000000000, -0.0260157000000000, 0.0666101500000000 ] - [ 0.0225038800000000, -0.0177275200000000, 0.0628272900000000 ] - [ -0.0156575900000000, -0.0281817500000000, 0.0677179900000000 ] - [ -0.0320372500000000, -0.0218531300000000, 0.0678703800000000 ] - [ -0.0255787000000000, -0.0201070000000000, 0.0656553400000000 ] - [ -0.0210776700000000, -0.0209865500000000, 0.0673706200000000 ] - [ -0.0101596500000000, 0.0171172300000000, -0.0257153200000000 ] - [ -0.0070495800000000, -0.0133384700000000, -0.0225324400000000 ] - [ -0.0105191800000000, 0.0181207000000000, -0.0251836000000000 ] - [ -0.0077537700000000, 0.0268406900000000, -0.0211562000000000 ] - [ 0.0122780600000000, 0.0103988000000000, -0.0231722100000000 ] - [ 0.0079817900000000, 0.0136959300000000, -0.0242207100000000 ] - [ 0.0071888300000000, 0.0192186400000000, -0.0211839600000000 ] - [ 0.0102601600000000, 0.0168223700000000, -0.0224031300000000 ] - [ -0.0213768500000000, 0.0239350400000000, 0.0690033900000000 ] - [ -0.0235940000000000, 0.0233014400000000, 0.0688716100000000 ] - [ -0.0234343000000000, 0.0227718800000000, 0.0703389300000000 ] - [ -0.0213907000000000, 0.0225881300000000, 0.0682650900000000 ] - [ 0.0197215300000000, 0.0264041800000000, 0.0673237500000000 ] - [ 0.0210399700000000, 0.0302726100000000, 0.0665262200000000 ] - [ 0.0192784400000000, 0.0260455800000000, 0.0670488900000000 ] - [ 0.0217989300000000, 0.0264077800000000, 0.0715397200000000 ] - [ 0.0017070900000000, -0.0033145300000000, -0.0026658500000000 ] - [ 0.0041326600000000, -0.0048211100000000, -0.0035596700000000 ] - [ 0.0031467600000000, -0.0023689100000000, -0.0009671200000000 ] - [ 0.0008631300000000, -0.0035563300000000, 0.0010735700000000 ] - [ 0.0018961200000000, 0.0359658600000000, -0.0604376400000000 ] - [ 0.0223339300000000, 0.0406146300000000, -0.0643204200000000 ] - [ 0.0040308400000000, 0.0344626100000000, -0.0607570000000000 ] - [ 0.0006740800000000, 0.0328757400000000, -0.0608781200000000 ] - [ 0.0021905500000000, 0.0030569200000000, -0.0019858400000000 ] - [ 0.0030226700000000, 0.0028455100000000, -0.0020616500000000 ] - [ 0.0031552700000000, 0.0029187400000000, -0.0030369600000000 ] - [ 0.0026630300000000, 0.0027455200000000, -0.0025184500000000 ] - [ 0.0023885900000000, -0.0353860500000000, -0.0609258100000000 ] - [ 0.0036390500000000, -0.0358654200000000, -0.0609072000000000 ] - [ 0.0034950600000000, -0.0348952000000000, -0.0611130500000000 ] - [ 0.0010130500000000, -0.0344296800000000, -0.0613071000000000 ] - [ -0.0005135100000000, -0.0004358600000000, -0.0117255600000000 ] - [ -0.0006356800000000, -0.0003985200000000, -0.0124404200000000 ] - [ -0.0005543800000000, -0.0004641800000000, -0.0117595100000000 ] - [ -0.0007600500000000, -0.0004710600000000, -0.0123884200000000 ] - [ 0.0000576300000000, -0.0020000100000000, -0.0116447600000000 ] - [ 0.0006373200000000, -0.0018166000000000, -0.0118473300000000 ] - [ 0.0004384100000000, -0.0020992400000000, -0.0117542600000000 ] - [ 0.0004366800000000, -0.0021256400000000, -0.0114532600000000 ] - [ -0.0005231200000000, 0.0133806800000000, 0.0275515900000000 ] - [ 0.0005806900000000, 0.0128559400000000, 0.0270800500000000 ] - [ 0.0000514300000000, 0.0140851400000000, 0.0276661800000000 ] - [ -0.0002784800000000, 0.0149910800000000, 0.0276767200000000 ] - [ -0.0027386800000000, 0.0108262400000000, 0.0263778600000000 ] - [ 0.0001100300000000, 0.0111790500000000, 0.0266310100000000 ] - [ -0.0010553500000000, 0.0119802000000000, 0.0270451700000000 ] - [ -0.0009982200000000, 0.0114722200000000, 0.0268003100000000 ] - [ -0.0019287000000000, -0.0002007700000000, -0.0010444000000000 ] - [ -0.0006400500000000, 0.0002221900000000, -0.0021403400000000 ] - [ -0.0014274700000000, -0.0029766100000000, 0.0006796700000000 ] - [ -0.0014584000000000, -0.0029999200000000, 0.0004730000000000 ] - [ -0.0015159600000000, 0.0070312200000000, -0.0104620400000000 ] - [ 0.0009543400000000, -0.0011117200000000, -0.0014935100000000 ] - [ 0.0005908700000000, -0.0050537800000000, 0.0011589100000000 ] - [ 0.0009518100000000, -0.0020915300000000, -0.0006601500000000 ] - [ 0.0007293100000000, -0.0009399500000000, -0.0002524100000000 ] - [ 0.0023424600000000, -0.0185424800000000, -0.0065191800000000 ] - [ 0.0007567700000000, -0.0005480900000000, 0.0000302800000000 ] - [ 0.0002022300000000, -0.0035454600000000, 0.0072830800000000 ] - [ -0.0139790100000000, 0.0148309400000000, -0.0645776700000000 ] - [ 0.0008832600000000, 0.0211659700000000, -0.0607058900000000 ] - [ -0.0005875800000000, 0.0165198800000000, -0.0570422900000000 ] - [ -0.0014168000000000, 0.0216376500000000, -0.0609898600000000 ] - [ 0.0050412700000000, 0.0018865100000000, 0.0063124300000000 ] - [ 0.0007767900000000, -0.0002677300000000, 0.0058472700000000 ] - [ 0.0007882100000000, -0.0059081000000000, 0.0045547800000000 ] - [ 0.0015125400000000, -0.0052724700000000, 0.0047551400000000 ] - [ -0.0302097600000000, 0.1466054900000000, 0.0418418500000000 ] - [ -0.0010947300000000, -0.0015667000000000, 0.0038858400000000 ] - [ -0.0010968000000000, -0.0062977500000000, 0.0037986600000000 ] - [ -0.0009610000000000, -0.0024236900000000, 0.0035996500000000 ] - [ -0.0004353800000000, 0.0005026600000000, -0.0113972100000000 ] - [ 0.0063570100000000, -0.0295992700000000, -0.0015106800000000 ] - [ -0.0004403900000000, 0.0004289700000000, -0.0116617000000000 ] - [ -0.0027532000000000, -0.0112984000000000, -0.0136772800000000 ] - [ -0.0007596500000000, 0.0028210000000000, -0.0110683200000000 ] - [ 0.0014403400000000, 0.0022999500000000, -0.0105508300000000 ] - [ 0.0059216700000000, -0.0024305600000000, -0.0110374700000000 ] - [ -0.0015583200000000, -0.0005619200000000, -0.0125267100000000 ] - [ -0.0002262300000000, -0.0130992500000000, 0.0273747000000000 ] - [ 0.0034420200000000, -0.0088664500000000, 0.0268729900000000 ] - [ 0.0009849100000000, -0.0145130100000000, 0.0276692600000000 ] - [ -0.0018284200000000, -0.0155972400000000, 0.0279427000000000 ] - [ -0.0083334200000000, -0.0120133100000000, 0.0307058200000000 ] - [ -0.0003667200000000, -0.0109901300000000, 0.0268187600000000 ] - [ -0.0007966100000000, -0.0159060800000000, 0.0248549500000000 ] - [ -0.0009820800000000, -0.0114168700000000, 0.0266817700000000 ] - [ -0.0017660900000000, -0.0003865800000000, -0.0009487500000000 ] - [ -0.0014537500000000, 0.0005550600000000, -0.0011094100000000 ] - [ 0.0007445400000000, 0.0042375400000000, -0.0033147300000000 ] - [ -0.0013755300000000, 0.0024084300000000, -0.0001104400000000 ] - [ 0.0008284900000000, -0.0022419000000000, -0.0022202700000000 ] - [ 0.0009361800000000, 0.0010929600000000, -0.0014712100000000 ] - [ -0.0009059500000000, 0.0065107200000000, -0.0132210700000000 ] - [ 0.0009026700000000, 0.0019245600000000, -0.0009144600000000 ] - [ 0.0006975700000000, 0.0008312300000000, -0.0002174600000000 ] - [ 0.0021101200000000, -0.0065057500000000, 0.0093216100000000 ] - [ 0.0007081100000000, 0.0007534100000000, -0.0003345300000000 ] - [ 0.0001247300000000, 0.0004572500000000, -0.0015388700000000 ] - [ -0.0024531000000000, -0.0221364900000000, -0.0610232500000000 ] - [ -0.0008229700000000, -0.0217095800000000, -0.0610529400000000 ] - [ -0.0012579300000000, -0.0218787400000000, -0.0615961200000000 ] - [ -0.0012902900000000, -0.0217181900000000, -0.0610990100000000 ] - [ 0.0010640100000000, 0.0033171300000000, 0.0045233400000000 ] - [ 0.0015582600000000, 0.0032610300000000, 0.0044838300000000 ] - [ 0.0010254000000000, 0.0046702500000000, 0.0043863500000000 ] - [ 0.0011578400000000, 0.0044397100000000, 0.0046576500000000 ] - [ -0.0015466500000000, 0.0006145800000000, 0.0033223300000000 ] - [ -0.0011601700000000, 0.0017956200000000, 0.0035596500000000 ] - [ -0.0011626400000000, 0.0035754000000000, 0.0027272400000000 ] - [ -0.0010597600000000, 0.0023152400000000, 0.0035285000000000 ]- atom: 101 displacement: [ 0.0000055737063633, 0.0000000000000000, 0.0099999984466897 ] forces: - [ 0.0001327600000000, 0.0053264200000000, -0.0001439500000000 ] - [ 0.0020395000000000, 0.0062409200000000, 0.0034664400000000 ] - [ 0.0013050600000000, 0.0061978100000000, 0.0033417700000000 ] - [ 0.0019283700000000, 0.0060385900000000, 0.0041772500000000 ] - [ -0.0012998000000000, -0.0022811000000000, -0.0040564900000000 ] - [ -0.0019334300000000, -0.0029877100000000, -0.0005685800000000 ] - [ -0.0009644700000000, -0.0017937200000000, -0.0040036100000000 ] - [ -0.0019478200000000, 0.0020772100000000, 0.0083414500000000 ] - [ 0.0026518900000000, -0.0048837900000000, 0.0101433900000000 ] - [ 0.0019823300000000, -0.0065837400000000, 0.0062801300000000 ] - [ 0.0027790900000000, -0.0062932300000000, 0.0137828300000000 ] - [ 0.0022155500000000, -0.0059762000000000, 0.0058016200000000 ] - [ -0.0012182700000000, 0.0019142000000000, -0.0059840400000000 ] - [ -0.0032972100000000, 0.0010185400000000, -0.0101604500000000 ] - [ -0.0013698600000000, 0.0020419300000000, -0.0054995800000000 ] - [ -0.0015652900000000, 0.0019949600000000, -0.0066061900000000 ] - [ -0.0088610400000000, -0.0181563400000000, -0.0263443900000000 ] - [ -0.0122625800000000, -0.0232109100000000, -0.0378871700000000 ] - [ -0.0092139300000000, -0.0173295100000000, -0.0262250700000000 ] - [ -0.0080928500000000, -0.0080708400000000, -0.0363990800000000 ] - [ 0.0079571100000000, -0.0161819300000000, -0.0251482900000000 ] - [ 0.0113573700000000, -0.0164228400000000, -0.0279627900000000 ] - [ 0.0071227300000000, -0.0142830200000000, -0.0246722900000000 ] - [ 0.0108446100000000, -0.0129557000000000, -0.0258538400000000 ] - [ 0.0216969400000000, -0.0257152600000000, 0.0675044900000000 ] - [ 0.0150165700000000, -0.0141872100000000, 0.1168149300000000 ] - [ 0.0206847700000000, -0.0261044200000000, 0.0673939200000000 ] - [ 0.0184978800000000, -0.0245745100000000, 0.0715337300000000 ] - [ -0.0296210400000000, -0.0211919100000000, 0.0700288700000000 ] - [ -0.0077833700000000, -0.0281714500000000, 0.0702224300000000 ] - [ -0.0221666000000000, -0.0231536800000000, 0.0700522500000000 ] - [ -0.0215268600000000, -0.0231439800000000, 0.0692623300000000 ] - [ -0.0092751800000000, 0.0180309900000000, -0.0243763100000000 ] - [ -0.0154739500000000, 0.0322684700000000, -0.0248845400000000 ] - [ -0.0091176400000000, 0.0178929100000000, -0.0249730400000000 ] - [ -0.0107090500000000, 0.0168804000000000, -0.0234536500000000 ] - [ 0.0196388500000000, 0.0139611500000000, -0.0224946200000000 ] - [ 0.0001429800000000, 0.0179217000000000, -0.0205016900000000 ] - [ 0.0103564600000000, 0.0143603700000000, -0.0235414700000000 ] - [ 0.0087848600000000, 0.0155075900000000, -0.0218975200000000 ] - [ -0.0209480700000000, 0.0253582300000000, 0.0662754000000000 ] - [ -0.0245880700000000, 0.0241832600000000, 0.0664956400000000 ] - [ -0.0204210200000000, 0.0225362900000000, 0.0659068300000000 ] - [ -0.0249090600000000, 0.0216659900000000, 0.0670861300000000 ] - [ 0.0205098100000000, 0.0264182400000000, 0.0663991000000000 ] - [ 0.0216627200000000, 0.0374952700000000, 0.0591386800000000 ] - [ 0.0203710200000000, 0.0260823100000000, 0.0665415400000000 ] - [ 0.0163855500000000, 0.0207941400000000, 0.0540495500000000 ] - [ 0.0036155800000000, -0.0017652800000000, -0.0014091100000000 ] - [ 0.0005760000000000, 0.0017070700000000, 0.0002650300000000 ] - [ 0.0029193000000000, -0.0031704900000000, -0.0026661200000000 ] - [ 0.0025037700000000, -0.0032446300000000, -0.0022187200000000 ] - [ 0.0032275500000000, 0.0346985000000000, -0.0614878600000000 ] - [ -0.0264107000000000, 0.0394887800000000, -0.0584651100000000 ] - [ 0.0021811100000000, 0.0351173700000000, -0.0611519400000000 ] - [ 0.0023198500000000, 0.0352266400000000, -0.0615518200000000 ] - [ 0.0011915400000000, 0.0015518500000000, 0.0001233900000000 ] - [ 0.0040349500000000, 0.0014552600000000, -0.0010195400000000 ] - [ 0.0023824900000000, 0.0029564800000000, -0.0018100800000000 ] - [ 0.0029281100000000, 0.0034937000000000, -0.0025004600000000 ] - [ 0.0014783800000000, -0.0355208300000000, -0.0605321600000000 ] - [ 0.0047893000000000, -0.0366744200000000, -0.0599718500000000 ] - [ 0.0016734500000000, -0.0351475500000000, -0.0605652200000000 ] - [ 0.0059441400000000, -0.0348590800000000, -0.0595902600000000 ] - [ -0.0008482800000000, -0.0006892300000000, -0.0110457400000000 ] - [ -0.0010821200000000, -0.0018911800000000, -0.0063575100000000 ] - [ -0.0007752300000000, -0.0006260800000000, -0.0111158400000000 ] - [ -0.0008202700000000, -0.0017637700000000, -0.0063004900000000 ] - [ 0.0006592700000000, -0.0022095600000000, -0.0103893300000000 ] - [ 0.0005794700000000, -0.0028832600000000, -0.0097243500000000 ] - [ 0.0005514300000000, -0.0022447700000000, -0.0104193000000000 ] - [ 0.0005290200000000, -0.0023648600000000, -0.0100669400000000 ] - [ 0.0000290200000000, 0.0141334500000000, 0.0279877500000000 ] - [ -0.0010986500000000, 0.0147655100000000, 0.0290747000000000 ] - [ 0.0000225000000000, 0.0138868900000000, 0.0280512000000000 ] - [ -0.0020896900000000, 0.0135704300000000, 0.0293362200000000 ] - [ 0.0012930300000000, 0.0114804600000000, 0.0277516700000000 ] - [ -0.0023521600000000, 0.0111774700000000, 0.0272714100000000 ] - [ 0.0012572800000000, 0.0100017800000000, 0.0279043300000000 ] - [ -0.0015797700000000, 0.0109991000000000, 0.0271095700000000 ] - [ -0.0003294500000000, -0.0020414000000000, -0.0001262000000000 ] - [ -0.0026010500000000, -0.0027899800000000, 0.0013414800000000 ] - [ -0.0012637200000000, -0.0009678000000000, -0.0009205400000000 ] - [ -0.0016883200000000, -0.0007194500000000, -0.0006386700000000 ] - [ 0.0012217400000000, -0.0060822400000000, 0.0156561300000000 ] - [ 0.0005810500000000, -0.0019276700000000, -0.0008296000000000 ] - [ 0.0012420600000000, 0.0000388900000000, -0.0015014400000000 ] - [ 0.0006580100000000, -0.0013577000000000, -0.0012982200000000 ] - [ 0.0004583000000000, -0.0003997500000000, 0.0000037300000000 ] - [ -0.0013198000000000, 0.0267220600000000, 0.0120659200000000 ] - [ 0.0005168500000000, -0.0007838900000000, -0.0002814700000000 ] - [ 0.0002307800000000, -0.0050752900000000, 0.0025554200000000 ] - [ 0.0103582800000000, 0.0310402900000000, -0.0630571100000000 ] - [ -0.0052769400000000, 0.0232601700000000, -0.0619512700000000 ] - [ -0.0004375700000000, 0.0227634200000000, -0.0630307000000000 ] - [ -0.0019752400000000, 0.0217224800000000, -0.0611905200000000 ] - [ 0.0003195500000000, -0.0052985700000000, 0.0019478900000000 ] - [ -0.0003378400000000, -0.0048754400000000, 0.0012401100000000 ] - [ 0.0009527900000000, -0.0038866000000000, 0.0040361500000000 ] - [ 0.0011276000000000, -0.0038162900000000, 0.0039176000000000 ] - [ 0.0152413500000000, -0.0429393300000000, -0.1340031100000000 ] - [ -0.0014514900000000, -0.0022243200000000, 0.0028751800000000 ] - [ -0.0008124400000000, -0.0021267400000000, 0.0015845800000000 ] - [ -0.0013894500000000, -0.0019347500000000, 0.0033766300000000 ] - [ -0.0008640100000000, 0.0001917700000000, -0.0125429600000000 ] - [ 0.0018627600000000, -0.0113403700000000, -0.0241503000000000 ] - [ -0.0008262500000000, 0.0003631800000000, -0.0119170000000000 ] - [ 0.0007663000000000, 0.0020661800000000, -0.0138635500000000 ] - [ -0.0001236500000000, 0.0011595400000000, -0.0137936900000000 ] - [ 0.0003646200000000, 0.0012054700000000, -0.0146089000000000 ] - [ -0.0016464500000000, 0.0034196100000000, -0.0120460900000000 ] - [ -0.0000114600000000, 0.0012460200000000, -0.0124582400000000 ] - [ -0.0020497800000000, -0.0134007000000000, 0.0269634300000000 ] - [ 0.0214204600000000, -0.0151310200000000, 0.0315450800000000 ] - [ -0.0009436400000000, -0.0135791300000000, 0.0274382000000000 ] - [ 0.0006035600000000, -0.0134482900000000, 0.0269817400000000 ] - [ -0.0161314900000000, -0.0205097300000000, 0.0316817100000000 ] - [ 0.0010273000000000, -0.0117452200000000, 0.0259627400000000 ] - [ -0.0010157100000000, -0.0103069600000000, 0.0269110900000000 ] - [ -0.0009571200000000, -0.0114126700000000, 0.0265085700000000 ] - [ -0.0016459900000000, 0.0014341300000000, -0.0006149000000000 ] - [ -0.0011992200000000, 0.0012864600000000, -0.0010726800000000 ] - [ -0.0031235700000000, 0.0023525800000000, 0.0008691900000000 ] - [ -0.0005200900000000, 0.0021194700000000, -0.0007162000000000 ] - [ 0.0006811100000000, 0.0003058600000000, -0.0019594800000000 ] - [ 0.0006734300000000, 0.0015144400000000, -0.0014091800000000 ] - [ 0.0006996200000000, 0.0127887600000000, 0.0271002000000000 ] - [ 0.0007344800000000, 0.0016365500000000, -0.0013464700000000 ] - [ 0.0004884900000000, 0.0006711000000000, -0.0001908200000000 ] - [ 0.0059385300000000, -0.0184407200000000, 0.0281112400000000 ] - [ 0.0005358800000000, 0.0008403600000000, -0.0003072800000000 ] - [ 0.0009295700000000, 0.0021854800000000, -0.0002988900000000 ] - [ -0.0028052700000000, -0.0222035200000000, -0.0591049600000000 ] - [ -0.0007458800000000, -0.0215825600000000, -0.0603777300000000 ] - [ -0.0026281400000000, -0.0205842100000000, -0.0594193300000000 ] - [ -0.0008613500000000, -0.0213102000000000, -0.0605788600000000 ] - [ 0.0013791100000000, 0.0034643400000000, 0.0059438600000000 ] - [ 0.0013683900000000, 0.0036422500000000, 0.0064231100000000 ] - [ 0.0014893300000000, 0.0034128800000000, 0.0058074700000000 ] - [ 0.0016696700000000, 0.0037063600000000, 0.0058980800000000 ] - [ -0.0013609400000000, 0.0016625700000000, 0.0084944600000000 ] - [ -0.0014059200000000, 0.0018949100000000, 0.0043683800000000 ] - [ -0.0014954300000000, 0.0010512100000000, 0.0089398300000000 ] - [ -0.0014242900000000, 0.0018631000000000, 0.0041395800000000 ]- atom: 101 displacement: [ -0.0000055737063633, 0.0000000000000000, -0.0099999984466897 ] forces: - [ 0.0032743900000000, 0.0071718600000000, 0.0098573000000000 ] - [ 0.0014127500000000, 0.0062690100000000, 0.0062500200000000 ] - [ 0.0021304800000000, 0.0063092700000000, 0.0063810500000000 ] - [ 0.0015211600000000, 0.0064669100000000, 0.0055411100000000 ] - [ -0.0017446600000000, -0.0018979100000000, -0.0057550400000000 ] - [ -0.0011161700000000, -0.0012029800000000, -0.0092264800000000 ] - [ -0.0020626000000000, -0.0023839600000000, -0.0058033500000000 ] - [ -0.0012600500000000, -0.0062963800000000, -0.0181167800000000 ] - [ 0.0008030700000000, -0.0076253800000000, -0.0004503500000000 ] - [ 0.0014668700000000, -0.0059291200000000, 0.0034308500000000 ] - [ 0.0008384800000000, -0.0063944300000000, -0.0041244000000000 ] - [ 0.0012246100000000, -0.0065235100000000, 0.0039061900000000 ] - [ -0.0018295900000000, 0.0022642500000000, -0.0038239600000000 ] - [ 0.0002813400000000, 0.0031698800000000, 0.0003641500000000 ] - [ -0.0016751700000000, 0.0021315300000000, -0.0043127900000000 ] - [ -0.0014731300000000, 0.0021752700000000, -0.0032064200000000 ] - [ -0.0104272300000000, -0.0173693900000000, -0.0246304000000000 ] - [ -0.0070463500000000, -0.0123560300000000, -0.0131005900000000 ] - [ -0.0100806600000000, -0.0181904700000000, -0.0247508800000000 ] - [ -0.0111761700000000, -0.0273349500000000, -0.0145312400000000 ] - [ 0.0107034500000000, -0.0141626600000000, -0.0219278200000000 ] - [ 0.0073345200000000, -0.0139270800000000, -0.0191261900000000 ] - [ 0.0115431300000000, -0.0160553100000000, -0.0224069000000000 ] - [ 0.0078409000000000, -0.0173674500000000, -0.0212111300000000 ] - [ 0.0183529700000000, -0.0266163000000000, 0.0664610400000000 ] - [ 0.0245326300000000, -0.0356352800000000, 0.0189226200000000 ] - [ 0.0193563500000000, -0.0262356200000000, 0.0665758500000000 ] - [ 0.0215256000000000, -0.0278169600000000, 0.0624758800000000 ] - [ -0.0149452200000000, -0.0247836900000000, 0.0665754900000000 ] - [ -0.0367866100000000, -0.0178505100000000, 0.0663551000000000 ] - [ -0.0224106100000000, -0.0228723000000000, 0.0665392000000000 ] - [ -0.0230876000000000, -0.0228891500000000, 0.0673223800000000 ] - [ -0.0100118400000000, 0.0174940800000000, -0.0266125500000000 ] - [ -0.0041897600000000, 0.0046059100000000, -0.0281820800000000 ] - [ -0.0101721700000000, 0.0176246800000000, -0.0260172300000000 ] - [ -0.0085998000000000, 0.0185883500000000, -0.0275947700000000 ] - [ -0.0010147500000000, 0.0164221900000000, -0.0246341500000000 ] - [ 0.0185699900000000, 0.0124175500000000, -0.0266166000000000 ] - [ 0.0083375400000000, 0.0159566400000000, -0.0235808000000000 ] - [ 0.0098852800000000, 0.0148176100000000, -0.0252321000000000 ] - [ -0.0236735200000000, 0.0206377400000000, 0.0702910100000000 ] - [ -0.0199906400000000, 0.0218227400000000, 0.0700725200000000 ] - [ -0.0241961700000000, 0.0234770200000000, 0.0706493000000000 ] - [ -0.0196643900000000, 0.0243622400000000, 0.0694845700000000 ] - [ 0.0195291200000000, 0.0259170200000000, 0.0675653800000000 ] - [ 0.0183579700000000, 0.0147453800000000, 0.0748367500000000 ] - [ 0.0196697600000000, 0.0262570100000000, 0.0674249700000000 ] - [ 0.0236820500000000, 0.0315991300000000, 0.0799854100000000 ] - [ 0.0017549700000000, -0.0037889400000000, -0.0027370700000000 ] - [ 0.0047889900000000, -0.0072340700000000, -0.0043931700000000 ] - [ 0.0024527600000000, -0.0023729200000000, -0.0014808400000000 ] - [ 0.0028956000000000, -0.0022831500000000, -0.0019647900000000 ] - [ 0.0018254900000000, 0.0355165200000000, -0.0602959700000000 ] - [ 0.0312663600000000, 0.0307296700000000, -0.0634170500000000 ] - [ 0.0028764700000000, 0.0351064300000000, -0.0606286200000000 ] - [ 0.0027571200000000, 0.0350045400000000, -0.0602310200000000 ] - [ 0.0041900400000000, 0.0039860100000000, -0.0042592500000000 ] - [ 0.0013288700000000, 0.0040878500000000, -0.0031103900000000 ] - [ 0.0029896600000000, 0.0025761900000000, -0.0023107600000000 ] - [ 0.0024413900000000, 0.0020351300000000, -0.0016171600000000 ] - [ 0.0035942200000000, -0.0346967100000000, -0.0612473400000000 ] - [ 0.0002559900000000, -0.0335365400000000, -0.0618074400000000 ] - [ 0.0033939200000000, -0.0350734000000000, -0.0612128200000000 ] - [ -0.0009154200000000, -0.0353621900000000, -0.0621892100000000 ] - [ -0.0004706000000000, -0.0002567700000000, -0.0122094600000000 ] - [ -0.0002343900000000, 0.0009575700000000, -0.0169087700000000 ] - [ -0.0005432800000000, -0.0003195500000000, -0.0121392700000000 ] - [ -0.0004961700000000, 0.0007979500000000, -0.0169757800000000 ] - [ 0.0001477900000000, -0.0018087900000000, -0.0125445300000000 ] - [ 0.0002151800000000, -0.0011364000000000, -0.0132097300000000 ] - [ 0.0002531200000000, -0.0017764700000000, -0.0125123400000000 ] - [ 0.0002660000000000, -0.0016550700000000, -0.0128728000000000 ] - [ -0.0005326200000000, 0.0134633000000000, 0.0272954600000000 ] - [ 0.0005848100000000, 0.0128347800000000, 0.0262093400000000 ] - [ -0.0005247600000000, 0.0137084100000000, 0.0272325600000000 ] - [ 0.0015672100000000, 0.0140138600000000, 0.0259408600000000 ] - [ -0.0031082800000000, 0.0110670400000000, 0.0257763100000000 ] - [ 0.0005047600000000, 0.0113667300000000, 0.0262583200000000 ] - [ -0.0030798500000000, 0.0125345100000000, 0.0256201100000000 ] - [ -0.0002579900000000, 0.0115440500000000, 0.0264189400000000 ] - [ -0.0025365000000000, -0.0010182400000000, -0.0010139000000000 ] - [ -0.0002674600000000, -0.0002717600000000, -0.0024689200000000 ] - [ -0.0016044000000000, -0.0020844500000000, -0.0002187500000000 ] - [ -0.0011805000000000, -0.0023260300000000, -0.0005023700000000 ] - [ 0.0003728700000000, 0.0029252500000000, -0.0177812300000000 ] - [ 0.0010027500000000, -0.0012095700000000, -0.0015552500000000 ] - [ 0.0003448200000000, -0.0031494100000000, -0.0009067300000000 ] - [ 0.0009259200000000, -0.0017749300000000, -0.0010904900000000 ] - [ 0.0007673600000000, -0.0010733800000000, -0.0004308400000000 ] - [ 0.0025037600000000, -0.0279683700000000, -0.0123440800000000 ] - [ 0.0007102300000000, -0.0006888100000000, -0.0001466900000000 ] - [ 0.0009882900000000, 0.0035912500000000, -0.0030441200000000 ] - [ -0.0130405900000000, 0.0122834700000000, -0.0589722800000000 ] - [ 0.0025577400000000, 0.0200833200000000, -0.0600195800000000 ] - [ -0.0022780400000000, 0.0206122900000000, -0.0589683700000000 ] - [ -0.0007284300000000, 0.0216167300000000, -0.0607790300000000 ] - [ 0.0020641400000000, -0.0023882400000000, 0.0075317200000000 ] - [ 0.0027971100000000, -0.0028052000000000, 0.0082380500000000 ] - [ 0.0014892400000000, -0.0037569600000000, 0.0054453600000000 ] - [ 0.0013193400000000, -0.0038247000000000, 0.0055666100000000 ] - [ -0.0166476400000000, 0.0350211500000000, 0.1422287100000000 ] - [ -0.0010309100000000, -0.0017864100000000, 0.0044621500000000 ] - [ -0.0016683900000000, -0.0018687000000000, 0.0057521000000000 ] - [ -0.0010925200000000, -0.0020701200000000, 0.0039606000000000 ] - [ -0.0004564300000000, 0.0007558800000000, -0.0107077400000000 ] - [ -0.0031624900000000, 0.0122111100000000, 0.0010204500000000 ] - [ -0.0004934100000000, 0.0005869000000000, -0.0113333800000000 ] - [ -0.0020783300000000, -0.0010355900000000, -0.0093598500000000 ] - [ 0.0009272500000000, 0.0028618500000000, -0.0091267400000000 ] - [ 0.0004372300000000, 0.0028179000000000, -0.0083150700000000 ] - [ 0.0024174800000000, 0.0006294600000000, -0.0108857200000000 ] - [ 0.0008410500000000, 0.0028168200000000, -0.0104512200000000 ] - [ 0.0015491500000000, -0.0142021100000000, 0.0283296200000000 ] - [ -0.0221427700000000, -0.0124801500000000, 0.0237596800000000 ] - [ 0.0004341900000000, -0.0140133400000000, 0.0278490900000000 ] - [ -0.0010966100000000, -0.0141405100000000, 0.0283094000000000 ] - [ 0.0144942000000000, -0.0019373100000000, 0.0218306500000000 ] - [ -0.0028841400000000, -0.0107954900000000, 0.0275728200000000 ] - [ -0.0008216500000000, -0.0121947800000000, 0.0266421800000000 ] - [ -0.0008797000000000, -0.0111281100000000, 0.0270263500000000 ] - [ -0.0012236900000000, 0.0016400600000000, -0.0005034800000000 ] - [ -0.0016714400000000, 0.0017841300000000, -0.0000453200000000 ] - [ 0.0002445700000000, 0.0006891100000000, -0.0019726000000000 ] - [ -0.0023562200000000, 0.0009363400000000, -0.0004055800000000 ] - [ 0.0009102900000000, 0.0028681900000000, -0.0003894000000000 ] - [ 0.0009109900000000, 0.0016268600000000, -0.0009702500000000 ] - [ 0.0009348500000000, -0.0099107900000000, -0.0300024300000000 ] - [ 0.0008498600000000, 0.0014987700000000, -0.0010355400000000 ] - [ 0.0007394400000000, 0.0007988500000000, -0.0002323600000000 ] - [ -0.0047848300000000, 0.0200877500000000, -0.0289193800000000 ] - [ 0.0006919700000000, 0.0006291300000000, -0.0001144300000000 ] - [ 0.0003002100000000, -0.0007411500000000, -0.0000989200000000 ] - [ 0.0001206400000000, -0.0211253500000000, -0.0628669600000000 ] - [ -0.0019703200000000, -0.0217578500000000, -0.0615925400000000 ] - [ -0.0000560300000000, -0.0227654400000000, -0.0625525600000000 ] - [ -0.0018540700000000, -0.0220327900000000, -0.0613915900000000 ] - [ 0.0010691200000000, 0.0041879700000000, 0.0035337700000000 ] - [ 0.0010692200000000, 0.0040128500000000, 0.0030542400000000 ] - [ 0.0009619000000000, 0.0042298900000000, 0.0036729200000000 ] - [ 0.0007673700000000, 0.0039396000000000, 0.0035757500000000 ] - [ -0.0011161700000000, 0.0023628700000000, -0.0011591500000000 ] - [ -0.0010753400000000, 0.0021139600000000, 0.0029650800000000 ] - [ -0.0009852200000000, 0.0029478300000000, -0.0016160100000000 ] - [ -0.0010572200000000, 0.0021425300000000, 0.0031940700000000 ]