# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b25bccc7-17be-4239-9d71-2a50ffea4fec/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 K3NbS4 / Pnma (62) / materials id 18383](https://mdr.nims.go.jp/datasets/f1a5b58c-0e6a-4967-b16b-163649dfc065) ## 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: "Pnma" number: 62 Hall_symbol: "-P 2ac 2n"supercell_matrix:- [ 2, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 9.256156069999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.645883280000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.423115770000001 ] # c points: - symbol: S # 1 coordinates: [ 0.663150790000000, 0.426943840000000, 0.552203110000000 ] mass: 32.065000 - symbol: S # 2 coordinates: [ 0.163150790000000, 0.073056160000000, 0.947796890000000 ] mass: 32.065000 - symbol: S # 3 coordinates: [ 0.836849210000000, 0.573056160000000, 0.052203110000000 ] mass: 32.065000 - symbol: S # 4 coordinates: [ 0.336849210000000, 0.926943840000000, 0.447796890000000 ] mass: 32.065000 - symbol: S # 5 coordinates: [ 0.336849210000000, 0.573056160000000, 0.447796890000000 ] mass: 32.065000 - symbol: S # 6 coordinates: [ 0.836849210000000, 0.926943840000000, 0.052203110000000 ] mass: 32.065000 - symbol: S # 7 coordinates: [ 0.163150790000000, 0.426943840000000, 0.947796890000000 ] mass: 32.065000 - symbol: S # 8 coordinates: [ 0.663150790000000, 0.073056160000000, 0.552203110000000 ] mass: 32.065000 - symbol: S # 9 coordinates: [ 0.191455650000000, 0.750000000000000, 0.753143330000000 ] mass: 32.065000 - symbol: S # 10 coordinates: [ 0.691455650000000, 0.750000000000000, 0.746856670000000 ] mass: 32.065000 - symbol: S # 11 coordinates: [ 0.308544350000000, 0.250000000000000, 0.253143330000000 ] mass: 32.065000 - symbol: S # 12 coordinates: [ 0.808544350000000, 0.250000000000000, 0.246856670000000 ] mass: 32.065000 - symbol: S # 13 coordinates: [ 0.990868490000000, 0.750000000000000, 0.412307770000000 ] mass: 32.065000 - symbol: S # 14 coordinates: [ 0.009131510000000, 0.250000000000000, 0.587692230000000 ] mass: 32.065000 - symbol: S # 15 coordinates: [ 0.509131510000000, 0.250000000000000, 0.912307770000000 ] mass: 32.065000 - symbol: S # 16 coordinates: [ 0.490868490000000, 0.750000000000000, 0.087692230000000 ] mass: 32.065000 - symbol: K # 17 coordinates: [ 0.058206380000000, 0.454825740000000, 0.289691420000000 ] mass: 39.098300 - symbol: K # 18 coordinates: [ 0.634391060000000, 0.750000000000000, 0.421368810000000 ] mass: 39.098300 - symbol: K # 19 coordinates: [ 0.365608940000000, 0.250000000000000, 0.578631190000000 ] mass: 39.098300 - symbol: K # 20 coordinates: [ 0.865608940000000, 0.250000000000000, 0.921368810000000 ] mass: 39.098300 - symbol: K # 21 coordinates: [ 0.941793620000000, 0.545174260000000, 0.710308580000000 ] mass: 39.098300 - symbol: K # 22 coordinates: [ 0.441793620000000, 0.954825740000000, 0.789691420000000 ] mass: 39.098300 - symbol: K # 23 coordinates: [ 0.558206380000000, 0.454825740000000, 0.210308580000000 ] mass: 39.098300 - symbol: K # 24 coordinates: [ 0.058206380000000, 0.045174260000000, 0.289691420000000 ] mass: 39.098300 - symbol: K # 25 coordinates: [ 0.941793620000000, 0.954825740000000, 0.710308580000000 ] mass: 39.098300 - symbol: K # 26 coordinates: [ 0.558206380000000, 0.045174260000000, 0.210308580000000 ] mass: 39.098300 - symbol: K # 27 coordinates: [ 0.441793620000000, 0.545174260000000, 0.789691420000000 ] mass: 39.098300 - symbol: K # 28 coordinates: [ 0.134391060000000, 0.750000000000000, 0.078631190000000 ] mass: 39.098300 - symbol: Nb # 29 coordinates: [ 0.215735280000000, 0.750000000000000, 0.512369580000000 ] mass: 92.906380 - symbol: Nb # 30 coordinates: [ 0.715735280000000, 0.750000000000000, 0.987630420000000 ] mass: 92.906380 - symbol: Nb # 31 coordinates: [ 0.284264720000000, 0.250000000000000, 0.012369580000000 ] mass: 92.906380 - symbol: Nb # 32 coordinates: [ 0.784264720000000, 0.250000000000000, 0.487630420000000 ] mass: 92.906380 reciprocal_lattice: # without 2pi - [ 0.108036207734341, 0.000000000000000, 0.000000000000000 ] # a* - [ 0.000000000000000, 0.093933023094351, 0.000000000000000 ] # b* - [ 0.000000000000000, 0.000000000000000, 0.106122011488351 ] # c*unit_cell: lattice: - [ 9.256156069999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.645883280000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 9.423115770000001 ] # c points: - symbol: S # 1 coordinates: [ 0.663150790000000, 0.426943840000000, 0.552203110000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.163150790000000, 0.073056160000000, 0.947796890000000 ] mass: 32.065000 reduced_to: 2 - symbol: S # 3 coordinates: [ 0.836849210000000, 0.573056160000000, 0.052203110000000 ] mass: 32.065000 reduced_to: 3 - symbol: S # 4 coordinates: [ 0.336849210000000, 0.926943840000000, 0.447796890000000 ] mass: 32.065000 reduced_to: 4 - symbol: S # 5 coordinates: [ 0.336849210000000, 0.573056160000000, 0.447796890000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 6 coordinates: [ 0.836849210000000, 0.926943840000000, 0.052203110000000 ] mass: 32.065000 reduced_to: 6 - symbol: S # 7 coordinates: [ 0.163150790000000, 0.426943840000000, 0.947796890000000 ] mass: 32.065000 reduced_to: 7 - symbol: S # 8 coordinates: [ 0.663150790000000, 0.073056160000000, 0.552203110000000 ] mass: 32.065000 reduced_to: 8 - symbol: S # 9 coordinates: [ 0.191455650000000, 0.750000000000000, 0.753143330000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 10 coordinates: [ 0.691455650000000, 0.750000000000000, 0.746856670000000 ] mass: 32.065000 reduced_to: 10 - symbol: S # 11 coordinates: [ 0.308544350000000, 0.250000000000000, 0.253143330000000 ] mass: 32.065000 reduced_to: 11 - symbol: S # 12 coordinates: [ 0.808544350000000, 0.250000000000000, 0.246856670000000 ] mass: 32.065000 reduced_to: 12 - symbol: S # 13 coordinates: [ 0.990868490000000, 0.750000000000000, 0.412307770000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 14 coordinates: [ 0.009131510000000, 0.250000000000000, 0.587692230000000 ] mass: 32.065000 reduced_to: 14 - symbol: S # 15 coordinates: [ 0.509131510000000, 0.250000000000000, 0.912307770000000 ] mass: 32.065000 reduced_to: 15 - symbol: S # 16 coordinates: [ 0.490868490000000, 0.750000000000000, 0.087692230000000 ] mass: 32.065000 reduced_to: 16 - symbol: K # 17 coordinates: [ 0.058206380000000, 0.454825740000000, 0.289691420000000 ] mass: 39.098300 reduced_to: 17 - symbol: K # 18 coordinates: [ 0.634391060000000, 0.750000000000000, 0.421368810000000 ] mass: 39.098300 reduced_to: 18 - symbol: K # 19 coordinates: [ 0.365608940000000, 0.250000000000000, 0.578631190000000 ] mass: 39.098300 reduced_to: 19 - symbol: K # 20 coordinates: [ 0.865608940000000, 0.250000000000000, 0.921368810000000 ] mass: 39.098300 reduced_to: 20 - symbol: K # 21 coordinates: [ 0.941793620000000, 0.545174260000000, 0.710308580000000 ] mass: 39.098300 reduced_to: 21 - symbol: K # 22 coordinates: [ 0.441793620000000, 0.954825740000000, 0.789691420000000 ] mass: 39.098300 reduced_to: 22 - symbol: K # 23 coordinates: [ 0.558206380000000, 0.454825740000000, 0.210308580000000 ] mass: 39.098300 reduced_to: 23 - symbol: K # 24 coordinates: [ 0.058206380000000, 0.045174260000000, 0.289691420000000 ] mass: 39.098300 reduced_to: 24 - symbol: K # 25 coordinates: [ 0.941793620000000, 0.954825740000000, 0.710308580000000 ] mass: 39.098300 reduced_to: 25 - symbol: K # 26 coordinates: [ 0.558206380000000, 0.045174260000000, 0.210308580000000 ] mass: 39.098300 reduced_to: 26 - symbol: K # 27 coordinates: [ 0.441793620000000, 0.545174260000000, 0.789691420000000 ] mass: 39.098300 reduced_to: 27 - symbol: K # 28 coordinates: [ 0.134391060000000, 0.750000000000000, 0.078631190000000 ] mass: 39.098300 reduced_to: 28 - symbol: Nb # 29 coordinates: [ 0.215735280000000, 0.750000000000000, 0.512369580000000 ] mass: 92.906380 reduced_to: 29 - symbol: Nb # 30 coordinates: [ 0.715735280000000, 0.750000000000000, 0.987630420000000 ] mass: 92.906380 reduced_to: 30 - symbol: Nb # 31 coordinates: [ 0.284264720000000, 0.250000000000000, 0.012369580000000 ] mass: 92.906380 reduced_to: 31 - symbol: Nb # 32 coordinates: [ 0.784264720000000, 0.250000000000000, 0.487630420000000 ] mass: 92.906380 reduced_to: 32supercell: lattice: - [ 18.512312139999999, 0.000000000000000, 0.000000000000000 ] # a - [ 0.000000000000000, 10.645883280000000, 0.000000000000000 ] # b - [ 0.000000000000000, 0.000000000000000, 18.846231540000002 ] # c points: - symbol: S # 1 coordinates: [ 0.331575395000000, 0.426943840000000, 0.276101555000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 2 coordinates: [ 0.831575395000000, 0.426943840000000, 0.276101555000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 3 coordinates: [ 0.331575395000000, 0.426943840000000, 0.776101555000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 4 coordinates: [ 0.831575395000000, 0.426943840000000, 0.776101555000000 ] mass: 32.065000 reduced_to: 1 - symbol: S # 5 coordinates: [ 0.081575395000000, 0.073056160000000, 0.473898445000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 6 coordinates: [ 0.581575395000000, 0.073056160000000, 0.473898445000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 7 coordinates: [ 0.081575395000000, 0.073056160000000, 0.973898445000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 8 coordinates: [ 0.581575395000000, 0.073056160000000, 0.973898445000000 ] mass: 32.065000 reduced_to: 5 - symbol: S # 9 coordinates: [ 0.418424605000000, 0.573056160000000, 0.026101555000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 10 coordinates: [ 0.918424605000000, 0.573056160000000, 0.026101555000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 11 coordinates: [ 0.418424605000000, 0.573056160000000, 0.526101555000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 12 coordinates: [ 0.918424605000000, 0.573056160000000, 0.526101555000000 ] mass: 32.065000 reduced_to: 9 - symbol: S # 13 coordinates: [ 0.168424605000000, 0.926943840000000, 0.223898445000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 14 coordinates: [ 0.668424605000000, 0.926943840000000, 0.223898445000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 15 coordinates: [ 0.168424605000000, 0.926943840000000, 0.723898445000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 16 coordinates: [ 0.668424605000000, 0.926943840000000, 0.723898445000000 ] mass: 32.065000 reduced_to: 13 - symbol: S # 17 coordinates: [ 0.168424605000000, 0.573056160000000, 0.223898445000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 18 coordinates: [ 0.668424605000000, 0.573056160000000, 0.223898445000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 19 coordinates: [ 0.168424605000000, 0.573056160000000, 0.723898445000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 20 coordinates: [ 0.668424605000000, 0.573056160000000, 0.723898445000000 ] mass: 32.065000 reduced_to: 17 - symbol: S # 21 coordinates: [ 0.418424605000000, 0.926943840000000, 0.026101555000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 22 coordinates: [ 0.918424605000000, 0.926943840000000, 0.026101555000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 23 coordinates: [ 0.418424605000000, 0.926943840000000, 0.526101555000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 24 coordinates: [ 0.918424605000000, 0.926943840000000, 0.526101555000000 ] mass: 32.065000 reduced_to: 21 - symbol: S # 25 coordinates: [ 0.081575395000000, 0.426943840000000, 0.473898445000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 26 coordinates: [ 0.581575395000000, 0.426943840000000, 0.473898445000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 27 coordinates: [ 0.081575395000000, 0.426943840000000, 0.973898445000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 28 coordinates: [ 0.581575395000000, 0.426943840000000, 0.973898445000000 ] mass: 32.065000 reduced_to: 25 - symbol: S # 29 coordinates: [ 0.331575395000000, 0.073056160000000, 0.276101555000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 30 coordinates: [ 0.831575395000000, 0.073056160000000, 0.276101555000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 31 coordinates: [ 0.331575395000000, 0.073056160000000, 0.776101555000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 32 coordinates: [ 0.831575395000000, 0.073056160000000, 0.776101555000000 ] mass: 32.065000 reduced_to: 29 - symbol: S # 33 coordinates: [ 0.095727825000000, 0.750000000000000, 0.376571665000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 34 coordinates: [ 0.595727825000000, 0.750000000000000, 0.376571665000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 35 coordinates: [ 0.095727825000000, 0.750000000000000, 0.876571665000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 36 coordinates: [ 0.595727825000000, 0.750000000000000, 0.876571665000000 ] mass: 32.065000 reduced_to: 33 - symbol: S # 37 coordinates: [ 0.345727825000000, 0.750000000000000, 0.373428335000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 38 coordinates: [ 0.845727825000000, 0.750000000000000, 0.373428335000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 39 coordinates: [ 0.345727825000000, 0.750000000000000, 0.873428335000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 40 coordinates: [ 0.845727825000000, 0.750000000000000, 0.873428335000000 ] mass: 32.065000 reduced_to: 37 - symbol: S # 41 coordinates: [ 0.154272175000000, 0.250000000000000, 0.126571665000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 42 coordinates: [ 0.654272175000000, 0.250000000000000, 0.126571665000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 43 coordinates: [ 0.154272175000000, 0.250000000000000, 0.626571665000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 44 coordinates: [ 0.654272175000000, 0.250000000000000, 0.626571665000000 ] mass: 32.065000 reduced_to: 41 - symbol: S # 45 coordinates: [ 0.404272175000000, 0.250000000000000, 0.123428335000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 46 coordinates: [ 0.904272175000000, 0.250000000000000, 0.123428335000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 47 coordinates: [ 0.404272175000000, 0.250000000000000, 0.623428335000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 48 coordinates: [ 0.904272175000000, 0.250000000000000, 0.623428335000000 ] mass: 32.065000 reduced_to: 45 - symbol: S # 49 coordinates: [ 0.495434245000000, 0.750000000000000, 0.206153885000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 50 coordinates: [ 0.995434245000000, 0.750000000000000, 0.206153885000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 51 coordinates: [ 0.495434245000000, 0.750000000000000, 0.706153885000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 52 coordinates: [ 0.995434245000000, 0.750000000000000, 0.706153885000000 ] mass: 32.065000 reduced_to: 49 - symbol: S # 53 coordinates: [ 0.004565755000000, 0.250000000000000, 0.293846115000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 54 coordinates: [ 0.504565755000000, 0.250000000000000, 0.293846115000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 55 coordinates: [ 0.004565755000000, 0.250000000000000, 0.793846115000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 56 coordinates: [ 0.504565755000000, 0.250000000000000, 0.793846115000000 ] mass: 32.065000 reduced_to: 53 - symbol: S # 57 coordinates: [ 0.254565755000000, 0.250000000000000, 0.456153885000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 58 coordinates: [ 0.754565755000000, 0.250000000000000, 0.456153885000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 59 coordinates: [ 0.254565755000000, 0.250000000000000, 0.956153885000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 60 coordinates: [ 0.754565755000000, 0.250000000000000, 0.956153885000000 ] mass: 32.065000 reduced_to: 57 - symbol: S # 61 coordinates: [ 0.245434245000000, 0.750000000000000, 0.043846115000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 62 coordinates: [ 0.745434245000000, 0.750000000000000, 0.043846115000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 63 coordinates: [ 0.245434245000000, 0.750000000000000, 0.543846115000000 ] mass: 32.065000 reduced_to: 61 - symbol: S # 64 coordinates: [ 0.745434245000000, 0.750000000000000, 0.543846115000000 ] mass: 32.065000 reduced_to: 61 - symbol: K # 65 coordinates: [ 0.029103190000000, 0.454825740000000, 0.144845710000000 ] mass: 39.098300 reduced_to: 65 - symbol: K # 66 coordinates: [ 0.529103190000000, 0.454825740000000, 0.144845710000000 ] mass: 39.098300 reduced_to: 65 - symbol: K # 67 coordinates: [ 0.029103190000000, 0.454825740000000, 0.644845710000000 ] mass: 39.098300 reduced_to: 65 - symbol: K # 68 coordinates: [ 0.529103190000000, 0.454825740000000, 0.644845710000000 ] mass: 39.098300 reduced_to: 65 - symbol: K # 69 coordinates: [ 0.317195530000000, 0.750000000000000, 0.210684405000000 ] mass: 39.098300 reduced_to: 69 - symbol: K # 70 coordinates: [ 0.817195530000000, 0.750000000000000, 0.210684405000000 ] mass: 39.098300 reduced_to: 69 - symbol: K # 71 coordinates: [ 0.317195530000000, 0.750000000000000, 0.710684405000000 ] mass: 39.098300 reduced_to: 69 - symbol: K # 72 coordinates: [ 0.817195530000000, 0.750000000000000, 0.710684405000000 ] mass: 39.098300 reduced_to: 69 - symbol: K # 73 coordinates: [ 0.182804470000000, 0.250000000000000, 0.289315595000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 74 coordinates: [ 0.682804470000000, 0.250000000000000, 0.289315595000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 75 coordinates: [ 0.182804470000000, 0.250000000000000, 0.789315595000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 76 coordinates: [ 0.682804470000000, 0.250000000000000, 0.789315595000000 ] mass: 39.098300 reduced_to: 73 - symbol: K # 77 coordinates: [ 0.432804470000000, 0.250000000000000, 0.460684405000000 ] mass: 39.098300 reduced_to: 77 - symbol: K # 78 coordinates: [ 0.932804470000000, 0.250000000000000, 0.460684405000000 ] mass: 39.098300 reduced_to: 77 - symbol: K # 79 coordinates: [ 0.432804470000000, 0.250000000000000, 0.960684405000000 ] mass: 39.098300 reduced_to: 77 - symbol: K # 80 coordinates: [ 0.932804470000000, 0.250000000000000, 0.960684405000000 ] mass: 39.098300 reduced_to: 77 - symbol: K # 81 coordinates: [ 0.470896810000000, 0.545174260000000, 0.355154290000000 ] mass: 39.098300 reduced_to: 81 - symbol: K # 82 coordinates: [ 0.970896810000000, 0.545174260000000, 0.355154290000000 ] mass: 39.098300 reduced_to: 81 - symbol: K # 83 coordinates: [ 0.470896810000000, 0.545174260000000, 0.855154290000000 ] mass: 39.098300 reduced_to: 81 - symbol: K # 84 coordinates: [ 0.970896810000000, 0.545174260000000, 0.855154290000000 ] mass: 39.098300 reduced_to: 81 - symbol: K # 85 coordinates: [ 0.220896810000000, 0.954825740000000, 0.394845710000000 ] mass: 39.098300 reduced_to: 85 - symbol: K # 86 coordinates: [ 0.720896810000000, 0.954825740000000, 0.394845710000000 ] mass: 39.098300 reduced_to: 85 - symbol: K # 87 coordinates: [ 0.220896810000000, 0.954825740000000, 0.894845710000000 ] mass: 39.098300 reduced_to: 85 - symbol: K # 88 coordinates: [ 0.720896810000000, 0.954825740000000, 0.894845710000000 ] mass: 39.098300 reduced_to: 85 - symbol: K # 89 coordinates: [ 0.279103190000000, 0.454825740000000, 0.105154290000000 ] mass: 39.098300 reduced_to: 89 - symbol: K # 90 coordinates: [ 0.779103190000000, 0.454825740000000, 0.105154290000000 ] mass: 39.098300 reduced_to: 89 - symbol: K # 91 coordinates: [ 0.279103190000000, 0.454825740000000, 0.605154290000000 ] mass: 39.098300 reduced_to: 89 - symbol: K # 92 coordinates: [ 0.779103190000000, 0.454825740000000, 0.605154290000000 ] mass: 39.098300 reduced_to: 89 - symbol: K # 93 coordinates: [ 0.029103190000000, 0.045174260000000, 0.144845710000000 ] mass: 39.098300 reduced_to: 93 - symbol: K # 94 coordinates: [ 0.529103190000000, 0.045174260000000, 0.144845710000000 ] mass: 39.098300 reduced_to: 93 - symbol: K # 95 coordinates: [ 0.029103190000000, 0.045174260000000, 0.644845710000000 ] mass: 39.098300 reduced_to: 93 - symbol: K # 96 coordinates: [ 0.529103190000000, 0.045174260000000, 0.644845710000000 ] mass: 39.098300 reduced_to: 93 - symbol: K # 97 coordinates: [ 0.470896810000000, 0.954825740000000, 0.355154290000000 ] mass: 39.098300 reduced_to: 97 - symbol: K # 98 coordinates: [ 0.970896810000000, 0.954825740000000, 0.355154290000000 ] mass: 39.098300 reduced_to: 97 - symbol: K # 99 coordinates: [ 0.470896810000000, 0.954825740000000, 0.855154290000000 ] mass: 39.098300 reduced_to: 97 - symbol: K # 100 coordinates: [ 0.970896810000000, 0.954825740000000, 0.855154290000000 ] mass: 39.098300 reduced_to: 97 - symbol: K # 101 coordinates: [ 0.279103190000000, 0.045174260000000, 0.105154290000000 ] mass: 39.098300 reduced_to: 101 - symbol: K # 102 coordinates: [ 0.779103190000000, 0.045174260000000, 0.105154290000000 ] mass: 39.098300 reduced_to: 101 - symbol: K # 103 coordinates: [ 0.279103190000000, 0.045174260000000, 0.605154290000000 ] mass: 39.098300 reduced_to: 101 - symbol: K # 104 coordinates: [ 0.779103190000000, 0.045174260000000, 0.605154290000000 ] mass: 39.098300 reduced_to: 101 - symbol: K # 105 coordinates: [ 0.220896810000000, 0.545174260000000, 0.394845710000000 ] mass: 39.098300 reduced_to: 105 - symbol: K # 106 coordinates: [ 0.720896810000000, 0.545174260000000, 0.394845710000000 ] mass: 39.098300 reduced_to: 105 - symbol: K # 107 coordinates: [ 0.220896810000000, 0.545174260000000, 0.894845710000000 ] mass: 39.098300 reduced_to: 105 - symbol: K # 108 coordinates: [ 0.720896810000000, 0.545174260000000, 0.894845710000000 ] mass: 39.098300 reduced_to: 105 - symbol: K # 109 coordinates: [ 0.067195530000000, 0.750000000000000, 0.039315595000000 ] mass: 39.098300 reduced_to: 109 - symbol: K # 110 coordinates: [ 0.567195530000000, 0.750000000000000, 0.039315595000000 ] mass: 39.098300 reduced_to: 109 - symbol: K # 111 coordinates: [ 0.067195530000000, 0.750000000000000, 0.539315595000000 ] mass: 39.098300 reduced_to: 109 - symbol: K # 112 coordinates: [ 0.567195530000000, 0.750000000000000, 0.539315595000000 ] mass: 39.098300 reduced_to: 109 - symbol: Nb # 113 coordinates: [ 0.107867640000000, 0.750000000000000, 0.256184790000000 ] mass: 92.906380 reduced_to: 113 - symbol: Nb # 114 coordinates: [ 0.607867640000000, 0.750000000000000, 0.256184790000000 ] mass: 92.906380 reduced_to: 113 - symbol: Nb # 115 coordinates: [ 0.107867640000000, 0.750000000000000, 0.756184790000000 ] mass: 92.906380 reduced_to: 113 - symbol: Nb # 116 coordinates: [ 0.607867640000000, 0.750000000000000, 0.756184790000000 ] mass: 92.906380 reduced_to: 113 - symbol: Nb # 117 coordinates: [ 0.357867640000000, 0.750000000000000, 0.493815210000000 ] mass: 92.906380 reduced_to: 117 - symbol: Nb # 118 coordinates: [ 0.857867640000000, 0.750000000000000, 0.493815210000000 ] mass: 92.906380 reduced_to: 117 - symbol: Nb # 119 coordinates: [ 0.357867640000000, 0.750000000000000, 0.993815210000000 ] mass: 92.906380 reduced_to: 117 - symbol: Nb # 120 coordinates: [ 0.857867640000000, 0.750000000000000, 0.993815210000000 ] mass: 92.906380 reduced_to: 117 - symbol: Nb # 121 coordinates: [ 0.142132360000000, 0.250000000000000, 0.006184790000000 ] mass: 92.906380 reduced_to: 121 - symbol: Nb # 122 coordinates: [ 0.642132360000000, 0.250000000000000, 0.006184790000000 ] mass: 92.906380 reduced_to: 121 - symbol: Nb # 123 coordinates: [ 0.142132360000000, 0.250000000000000, 0.506184790000000 ] mass: 92.906380 reduced_to: 121 - symbol: Nb # 124 coordinates: [ 0.642132360000000, 0.250000000000000, 0.506184790000000 ] mass: 92.906380 reduced_to: 121 - symbol: Nb # 125 coordinates: [ 0.392132360000000, 0.250000000000000, 0.243815210000000 ] mass: 92.906380 reduced_to: 125 - symbol: Nb # 126 coordinates: [ 0.892132360000000, 0.250000000000000, 0.243815210000000 ] mass: 92.906380 reduced_to: 125 - symbol: Nb # 127 coordinates: [ 0.392132360000000, 0.250000000000000, 0.743815210000000 ] mass: 92.906380 reduced_to: 125 - symbol: Nb # 128 coordinates: [ 0.892132360000000, 0.250000000000000, 0.743815210000000 ] mass: 92.906380 reduced_to: 125displacements:- atom: 1 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0603540400000000, 0.0612215200000000, 0.0198375000000000 ] - [ 0.0007682900000000, -0.0007624100000000, 0.0000217300000000 ] - [ 0.0003186700000000, -0.0005655100000000, 0.0000493100000000 ] - [ 0.0005422800000000, -0.0006604300000000, 0.0000344700000000 ] - [ 0.0005892100000000, 0.0007800900000000, -0.0001193200000000 ] - [ 0.0005875800000000, 0.0006767200000000, 0.0002473000000000 ] - [ 0.0005162500000000, 0.0007869500000000, 0.0000467400000000 ] - [ 0.0005149900000000, 0.0004940200000000, -0.0002346900000000 ] - [ -0.0007713100000000, 0.0010012900000000, -0.0000564300000000 ] - [ -0.0002341800000000, 0.0004822900000000, 0.0001961400000000 ] - [ -0.0007714400000000, 0.0007918600000000, 0.0001338200000000 ] - [ -0.0002354900000000, 0.0004952100000000, 0.0000617500000000 ] - [ -0.0016354700000000, -0.0018843500000000, 0.0003375500000000 ] - [ -0.0000788200000000, -0.0006841300000000, -0.0001393400000000 ] - [ -0.0004579700000000, -0.0005596600000000, -0.0001334800000000 ] - [ -0.0003744200000000, -0.0005877300000000, -0.0000900500000000 ] - [ 0.0036589900000000, -0.0032162200000000, 0.0005857100000000 ] - [ -0.0000699200000000, 0.0006501900000000, -0.0001415300000000 ] - [ -0.0004616900000000, 0.0005551100000000, -0.0001354300000000 ] - [ -0.0003746900000000, 0.0005880700000000, -0.0000908900000000 ] - [ -0.0007192500000000, -0.0012203700000000, -0.0002666800000000 ] - [ -0.0002562600000000, -0.0005007600000000, 0.0001739100000000 ] - [ -0.0007198400000000, -0.0009159400000000, 0.0000701100000000 ] - [ -0.0002574600000000, -0.0005240400000000, 0.0000552900000000 ] - [ 0.0006258000000000, -0.0005457300000000, -0.0003113100000000 ] - [ 0.0006231300000000, -0.0006990800000000, 0.0002931900000000 ] - [ 0.0005200000000000, -0.0007137500000000, 0.0000267800000000 ] - [ 0.0005187700000000, -0.0004981100000000, -0.0002440200000000 ] - [ -0.0090602500000000, -0.0036465300000000, 0.0049412100000000 ] - [ 0.0007706800000000, 0.0007635100000000, 0.0000220000000000 ] - [ 0.0003173700000000, 0.0005667200000000, 0.0000464500000000 ] - [ 0.0005421700000000, 0.0006615800000000, 0.0000331400000000 ] - [ 0.0007783800000000, 0.0000004900000000, -0.0001090600000000 ] - [ 0.0008248800000000, 0.0000585700000000, 0.0008330900000000 ] - [ 0.0006003600000000, -0.0000004600000000, 0.0006279800000000 ] - [ 0.0006629200000000, -0.0000014900000000, 0.0004891100000000 ] - [ 0.0000639800000000, -0.0005777200000000, -0.0008991200000000 ] - [ 0.0008234400000000, 0.0000006500000000, -0.0006398400000000 ] - [ 0.0005209000000000, -0.0000085400000000, -0.0009101100000000 ] - [ 0.0006939900000000, -0.0000015600000000, -0.0006079100000000 ] - [ -0.0002835800000000, 0.0002645600000000, 0.0020158700000000 ] - [ -0.0003231200000000, -0.0000006800000000, 0.0000988500000000 ] - [ -0.0006352100000000, -0.0000207000000000, 0.0000841600000000 ] - [ -0.0005602900000000, 0.0000011000000000, 0.0009287700000000 ] - [ -0.0012567500000000, 0.0000939200000000, -0.0073372200000000 ] - [ -0.0004801800000000, 0.0000097500000000, -0.0005299600000000 ] - [ -0.0007519700000000, -0.0000013400000000, -0.0006925500000000 ] - [ -0.0005088800000000, 0.0000032600000000, -0.0007408700000000 ] - [ 0.0003335800000000, 0.0000972900000000, 0.0005412400000000 ] - [ 0.0009670600000000, -0.0001462100000000, 0.0008365200000000 ] - [ 0.0000406700000000, -0.0000015500000000, 0.0004939200000000 ] - [ 0.0001567200000000, -0.0000023100000000, 0.0005005200000000 ] - [ 0.0008112900000000, 0.0000238100000000, -0.0002898700000000 ] - [ 0.0053917200000000, -0.0046241300000000, -0.0004530500000000 ] - [ 0.0000738000000000, 0.0000016200000000, -0.0004890400000000 ] - [ -0.0003104200000000, 0.0000016700000000, -0.0006978500000000 ] - [ 0.0002624100000000, 0.0007093000000000, -0.0004377600000000 ] - [ 0.0002491900000000, -0.0000006100000000, 0.0004936800000000 ] - [ -0.0008748600000000, 0.0000997100000000, 0.0007301400000000 ] - [ 0.0003036500000000, -0.0000001400000000, 0.0003502200000000 ] - [ -0.0006494800000000, -0.0001680200000000, -0.0000818900000000 ] - [ 0.0004737400000000, -0.0000008800000000, -0.0006773700000000 ] - [ -0.0003351400000000, -0.0001587100000000, -0.0005521000000000 ] - [ 0.0004496000000000, -0.0000000200000000, -0.0006146900000000 ] - [ -0.0009038700000000, -0.0004524100000000, -0.0000772700000000 ] - [ -0.0014869800000000, -0.0007638100000000, 0.0009052300000000 ] - [ -0.0007183100000000, -0.0002313000000000, 0.0002475600000000 ] - [ -0.0005172100000000, -0.0003105700000000, 0.0000884600000000 ] - [ 0.0009055900000000, 0.0012695000000000, -0.0010323400000000 ] - [ -0.0002173400000000, 0.0000009900000000, -0.0008513500000000 ] - [ 0.0002918100000000, -0.0000033000000000, -0.0007401600000000 ] - [ 0.0001014900000000, 0.0000001300000000, -0.0008182700000000 ] - [ 0.0013096000000000, 0.0003112700000000, 0.0005664800000000 ] - [ -0.0010434000000000, -0.0000326200000000, 0.0007964700000000 ] - [ -0.0001213000000000, 0.0000010700000000, 0.0008972200000000 ] - [ -0.0002473500000000, 0.0000003300000000, 0.0008775600000000 ] - [ 0.0003125100000000, -0.0000401300000000, -0.0016437400000000 ] - [ -0.0004570600000000, -0.0000144600000000, -0.0007994400000000 ] - [ -0.0001618600000000, 0.0000193500000000, -0.0001488600000000 ] - [ -0.0003487100000000, -0.0000021700000000, -0.0008625200000000 ] - [ 0.0055884100000000, 0.0009704300000000, 0.0015861100000000 ] - [ 0.0002868100000000, 0.0002116000000000, -0.0000671500000000 ] - [ 0.0006376700000000, 0.0002658600000000, -0.0000340100000000 ] - [ 0.0005455700000000, 0.0002823900000000, -0.0001378100000000 ] - [ 0.0012659000000000, -0.0000671900000000, -0.0002518000000000 ] - [ 0.0003448600000000, -0.0002270800000000, 0.0000427200000000 ] - [ 0.0007423000000000, -0.0003341900000000, 0.0001512200000000 ] - [ 0.0005007400000000, -0.0002069100000000, 0.0001741600000000 ] - [ 0.0005345500000000, -0.0004720100000000, -0.0006879700000000 ] - [ -0.0008422900000000, -0.0003130800000000, -0.0001232600000000 ] - [ -0.0004427700000000, -0.0002093500000000, 0.0000535400000000 ] - [ -0.0007349000000000, -0.0003346800000000, -0.0001494200000000 ] - [ -0.0007610400000000, 0.0003357500000000, 0.0000010800000000 ] - [ -0.0010979900000000, 0.0008378700000000, 0.0006482500000000 ] - [ -0.0007079200000000, 0.0002385300000000, 0.0002160600000000 ] - [ -0.0005189900000000, 0.0003085000000000, 0.0000905000000000 ] - [ 0.0005870100000000, 0.0004418400000000, -0.0007416600000000 ] - [ 0.0003379700000000, -0.0001645600000000, -0.0000533800000000 ] - [ 0.0006325700000000, -0.0002702800000000, -0.0000205100000000 ] - [ 0.0005445600000000, -0.0002817800000000, -0.0001369800000000 ] - [ 0.0002263600000000, 0.0004371500000000, 0.0000673400000000 ] - [ -0.0008419800000000, 0.0003114600000000, -0.0001217200000000 ] - [ -0.0004438100000000, 0.0001884500000000, -0.0000098900000000 ] - [ -0.0007327600000000, 0.0003346000000000, -0.0001495300000000 ] - [ 0.0020746900000000, 0.0000272200000000, -0.0008770600000000 ] - [ 0.0003429400000000, 0.0002283600000000, 0.0000497100000000 ] - [ 0.0007286400000000, 0.0003456300000000, 0.0001053300000000 ] - [ 0.0005004300000000, 0.0002072500000000, 0.0001741600000000 ] - [ 0.0001946400000000, 0.0000501800000000, 0.0005899500000000 ] - [ 0.0000927200000000, 0.0000059400000000, 0.0009953300000000 ] - [ 0.0000957200000000, 0.0000417900000000, 0.0010706100000000 ] - [ 0.0002307700000000, -0.0000061900000000, 0.0007095300000000 ] - [ 0.0001152000000000, 0.0024436600000000, 0.0003543300000000 ] - [ 0.0005120200000000, 0.0000077300000000, -0.0004792000000000 ] - [ 0.0007799100000000, 0.0000011500000000, -0.0003669300000000 ] - [ 0.0008226200000000, -0.0000008000000000, -0.0002528300000000 ] - [ 0.0013258300000000, -0.0000750100000000, 0.0006019700000000 ] - [ 0.0005149100000000, 0.0000180500000000, 0.0004138800000000 ] - [ 0.0017735700000000, 0.0001435500000000, 0.0004501300000000 ] - [ 0.0004589500000000, 0.0000216600000000, 0.0003739400000000 ] - [ -0.0005220000000000, -0.0000160600000000, -0.0014947500000000 ] - [ -0.0010383800000000, 0.0000074400000000, 0.0001168000000000 ] - [ -0.0013988600000000, 0.0001218700000000, 0.0000952100000000 ] - [ -0.0012399000000000, 0.0000369600000000, -0.0005936400000000 ] - [ 0.0522552900000000, -0.0536291000000000, -0.0184262700000000 ] - [ -0.0014500100000000, 0.0000030100000000, 0.0002032800000000 ] - [ -0.0006085200000000, 0.0000000000000000, 0.0004868800000000 ] - [ -0.0010036700000000, -0.0000005100000000, 0.0004339600000000 ]- atom: 1 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0610287600000000, -0.0611625300000000, -0.0194480400000000 ] - [ 0.0000790000000000, -0.0004145100000000, 0.0001407300000000 ] - [ 0.0005419600000000, -0.0006293200000000, 0.0001079000000000 ] - [ 0.0003098600000000, -0.0005223200000000, 0.0001260100000000 ] - [ 0.0002669000000000, 0.0004085600000000, -0.0000385700000000 ] - [ 0.0002660100000000, 0.0005091400000000, -0.0004088500000000 ] - [ 0.0003396800000000, 0.0004007100000000, -0.0002063100000000 ] - [ 0.0003388300000000, 0.0006918300000000, 0.0000752300000000 ] - [ -0.0000819100000000, 0.0001818200000000, 0.0002177500000000 ] - [ -0.0006237200000000, 0.0007072000000000, -0.0000398400000000 ] - [ -0.0000823600000000, 0.0003940800000000, 0.0000213100000000 ] - [ -0.0006244100000000, 0.0006986200000000, 0.0000940500000000 ] - [ 0.0007884600000000, 0.0007033700000000, -0.0004982000000000 ] - [ -0.0007764100000000, -0.0005000000000000, -0.0000190200000000 ] - [ -0.0003992700000000, -0.0006310800000000, -0.0000218400000000 ] - [ -0.0004802300000000, -0.0005976200000000, -0.0000675700000000 ] - [ -0.0045548200000000, 0.0044335800000000, -0.0007614800000000 ] - [ -0.0007852100000000, 0.0005328100000000, -0.0000187500000000 ] - [ -0.0003956100000000, 0.0006355300000000, -0.0000226300000000 ] - [ -0.0004802700000000, 0.0005972700000000, -0.0000691400000000 ] - [ -0.0001345300000000, 0.0000353200000000, 0.0004280600000000 ] - [ -0.0006017200000000, -0.0006887600000000, -0.0000158200000000 ] - [ -0.0001351900000000, -0.0002724000000000, 0.0000886600000000 ] - [ -0.0006024600000000, -0.0006695300000000, 0.0001024300000000 ] - [ 0.0002304600000000, -0.0006450900000000, 0.0001570100000000 ] - [ 0.0002289700000000, -0.0004858000000000, -0.0004538200000000 ] - [ 0.0003357500000000, -0.0004741600000000, -0.0001836900000000 ] - [ 0.0003351500000000, -0.0006877800000000, 0.0000871600000000 ] - [ 0.0098787300000000, 0.0048452500000000, -0.0047508900000000 ] - [ 0.0000764200000000, 0.0004135100000000, 0.0001383600000000 ] - [ 0.0005433100000000, 0.0006278300000000, 0.0001087400000000 ] - [ 0.0003097600000000, 0.0005209100000000, 0.0001258800000000 ] - [ 0.0004670300000000, -0.0000020100000000, 0.0013931300000000 ] - [ 0.0004201300000000, -0.0000597700000000, 0.0004464500000000 ] - [ 0.0006468600000000, 0.0000001200000000, 0.0006427400000000 ] - [ 0.0005829400000000, 0.0000013500000000, 0.0007907700000000 ] - [ 0.0011859900000000, 0.0005798500000000, -0.0003740300000000 ] - [ 0.0004222600000000, -0.0000005600000000, -0.0006295100000000 ] - [ 0.0007268700000000, 0.0000083900000000, -0.0003616100000000 ] - [ 0.0005524000000000, 0.0000017200000000, -0.0006668300000000 ] - [ -0.0009632800000000, -0.0002644300000000, -0.0007512300000000 ] - [ -0.0009252600000000, 0.0000007200000000, 0.0011817300000000 ] - [ -0.0006119400000000, 0.0000206200000000, 0.0011922600000000 ] - [ -0.0006868100000000, -0.0000009200000000, 0.0003480500000000 ] - [ 0.0000031700000000, -0.0000753200000000, 0.0060628100000000 ] - [ -0.0007660400000000, -0.0000093900000000, -0.0007592300000000 ] - [ -0.0004944400000000, 0.0000015900000000, -0.0005733100000000 ] - [ -0.0007382900000000, -0.0000031600000000, -0.0005392800000000 ] - [ -0.0001370000000000, -0.0001006900000000, 0.0005164400000000 ] - [ -0.0007634300000000, 0.0001462700000000, 0.0002222000000000 ] - [ 0.0001662800000000, 0.0000016700000000, 0.0005663700000000 ] - [ 0.0000552700000000, 0.0000022100000000, 0.0005624300000000 ] - [ -0.0010180800000000, -0.0000236400000000, -0.0007696800000000 ] - [ -0.0055725500000000, 0.0045449700000000, -0.0006299100000000 ] - [ -0.0002804100000000, -0.0000019400000000, -0.0005706100000000 ] - [ 0.0000945800000000, -0.0000016100000000, -0.0003652400000000 ] - [ -0.0004699300000000, -0.0007103700000000, 0.0015041700000000 ] - [ -0.0004594500000000, 0.0000006000000000, 0.0005675100000000 ] - [ 0.0006711200000000, -0.0000995500000000, 0.0003301800000000 ] - [ -0.0005129900000000, 0.0000002500000000, 0.0007115000000000 ] - [ 0.0008621500000000, 0.0001674300000000, -0.0009803700000000 ] - [ -0.0002661200000000, 0.0000005300000000, -0.0003833100000000 ] - [ 0.0005497900000000, 0.0001596300000000, -0.0005105200000000 ] - [ -0.0002375900000000, -0.0000002400000000, -0.0004485400000000 ] - [ -0.0003079700000000, -0.0001021100000000, 0.0003307400000000 ] - [ 0.0002782100000000, 0.0002094000000000, -0.0006560300000000 ] - [ -0.0004941700000000, -0.0003237500000000, 0.0000044700000000 ] - [ -0.0006967100000000, -0.0002442100000000, 0.0001649100000000 ] - [ -0.0005390400000000, -0.0012714400000000, -0.0006361300000000 ] - [ 0.0005934700000000, -0.0000012800000000, -0.0008206500000000 ] - [ 0.0000812800000000, 0.0000031600000000, -0.0009315200000000 ] - [ 0.0002729400000000, -0.0000004600000000, -0.0008533000000000 ] - [ -0.0017969900000000, -0.0003940500000000, 0.0011197500000000 ] - [ 0.0006727200000000, 0.0000324100000000, 0.0008752500000000 ] - [ -0.0002531700000000, -0.0000007500000000, 0.0007738900000000 ] - [ -0.0001260900000000, -0.0000001400000000, 0.0007938100000000 ] - [ -0.0006858600000000, 0.0000358200000000, -0.0000187800000000 ] - [ 0.0000850300000000, 0.0000142200000000, -0.0008726900000000 ] - [ -0.0002122600000000, -0.0000195600000000, -0.0015256000000000 ] - [ -0.0000241800000000, 0.0000019600000000, -0.0008082800000000 ] - [ -0.0042422200000000, -0.0003386300000000, -0.0017426400000000 ] - [ 0.0009287800000000, 0.0003436700000000, -0.0001855700000000 ] - [ 0.0005757800000000, 0.0002885800000000, -0.0002191400000000 ] - [ 0.0006683100000000, 0.0002724900000000, -0.0001148200000000 ] - [ -0.0000559400000000, -0.0004873500000000, 0.0005042100000000 ] - [ 0.0008703500000000, -0.0003273700000000, 0.0002095700000000 ] - [ 0.0004700000000000, -0.0002200400000000, 0.0001013200000000 ] - [ 0.0007138200000000, -0.0003478800000000, 0.0000780900000000 ] - [ -0.0017602600000000, -0.0000782700000000, 0.0004207500000000 ] - [ -0.0003696200000000, -0.0002415000000000, -0.0001297400000000 ] - [ -0.0007719000000000, -0.0003459300000000, -0.0003075200000000 ] - [ -0.0004779000000000, -0.0002195500000000, -0.0001033100000000 ] - [ -0.0004509200000000, 0.0002190300000000, 0.0002527000000000 ] - [ -0.0001143100000000, -0.0002839400000000, -0.0003949900000000 ] - [ -0.0005045800000000, 0.0003166000000000, 0.0000365200000000 ] - [ -0.0006949900000000, 0.0002463500000000, 0.0001629500000000 ] - [ 0.0006275800000000, -0.0009973700000000, 0.0004906100000000 ] - [ 0.0008777100000000, -0.0003909800000000, -0.0001998100000000 ] - [ 0.0005807200000000, -0.0002839900000000, -0.0002330100000000 ] - [ 0.0006691600000000, -0.0002729100000000, -0.0001159500000000 ] - [ -0.0014447100000000, 0.0001172200000000, -0.0003207500000000 ] - [ -0.0003698400000000, 0.0002432300000000, -0.0001308900000000 ] - [ -0.0007705800000000, 0.0003669300000000, -0.0002435000000000 ] - [ -0.0004800700000000, 0.0002198800000000, -0.0001027800000000 ] - [ -0.0009041700000000, 0.0005617700000000, 0.0011920800000000 ] - [ 0.0008726000000000, 0.0003264200000000, 0.0002031700000000 ] - [ 0.0004836600000000, 0.0002085600000000, 0.0001479100000000 ] - [ 0.0007142700000000, 0.0003478700000000, 0.0000785300000000 ] - [ 0.0001790200000000, -0.0000498700000000, 0.0010827800000000 ] - [ 0.0002817800000000, -0.0000056100000000, 0.0006755300000000 ] - [ 0.0002785300000000, -0.0000416800000000, 0.0005987500000000 ] - [ 0.0001424300000000, 0.0000066100000000, 0.0009623300000000 ] - [ 0.0015060100000000, -0.0024450100000000, -0.0011131100000000 ] - [ 0.0011143300000000, -0.0000074200000000, -0.0002719100000000 ] - [ 0.0008421800000000, -0.0000007300000000, -0.0003864600000000 ] - [ 0.0007986400000000, 0.0000010300000000, -0.0005022300000000 ] - [ 0.0002908200000000, 0.0000779300000000, 0.0001515800000000 ] - [ 0.0011085600000000, -0.0000181300000000, 0.0003398800000000 ] - [ -0.0001587000000000, -0.0001418100000000, 0.0003021800000000 ] - [ 0.0011644500000000, -0.0000218400000000, 0.0003799500000000 ] - [ -0.0011027700000000, 0.0000159300000000, 0.0007477500000000 ] - [ -0.0005809300000000, -0.0000070000000000, -0.0008730700000000 ] - [ -0.0002223800000000, -0.0001219000000000, -0.0008517600000000 ] - [ -0.0003782200000000, -0.0000378500000000, -0.0001596300000000 ] - [ -0.0535964500000000, 0.0523764500000000, 0.0187855400000000 ] - [ -0.0001672100000000, -0.0000029700000000, 0.0005528700000000 ] - [ -0.0010147700000000, 0.0000002900000000, 0.0002655200000000 ] - [ -0.0006163700000000, 0.0000007500000000, 0.0003193200000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0603186900000000, -0.1188606100000000, -0.0365821000000000 ] - [ 0.0002399700000000, -0.0006103900000000, 0.0000901900000000 ] - [ 0.0004466800000000, -0.0005954600000000, 0.0001969100000000 ] - [ 0.0003451800000000, -0.0005395500000000, 0.0001385600000000 ] - [ 0.0003307200000000, 0.0005704600000000, -0.0001093500000000 ] - [ 0.0002274700000000, 0.0005671700000000, -0.0005336200000000 ] - [ 0.0005121900000000, 0.0007059300000000, -0.0000784400000000 ] - [ 0.0002198700000000, 0.0007041000000000, 0.0001031200000000 ] - [ -0.0002148200000000, 0.0001340600000000, -0.0001877000000000 ] - [ -0.0005151500000000, 0.0005868500000000, -0.0000170800000000 ] - [ -0.0000015700000000, 0.0001283300000000, 0.0003844600000000 ] - [ -0.0005250100000000, 0.0005856400000000, 0.0001133600000000 ] - [ 0.0008779300000000, 0.0012972400000000, -0.0006198200000000 ] - [ -0.0003185900000000, 0.0001828300000000, -0.0002102900000000 ] - [ -0.0004491000000000, -0.0005982500000000, 0.0000297200000000 ] - [ -0.0004174000000000, -0.0005303800000000, -0.0000622800000000 ] - [ -0.0042431700000000, 0.0033752400000000, -0.0002671900000000 ] - [ -0.0003524300000000, -0.0000000700000000, -0.0002446400000000 ] - [ -0.0004539700000000, 0.0006104400000000, 0.0000363500000000 ] - [ -0.0004168600000000, 0.0005348200000000, -0.0000622500000000 ] - [ -0.0000911700000000, 0.0003933300000000, 0.0004741800000000 ] - [ -0.0004861200000000, -0.0005610800000000, 0.0000135400000000 ] - [ 0.0002164500000000, 0.0003950800000000, 0.0003714700000000 ] - [ -0.0005063800000000, -0.0005600400000000, 0.0001210400000000 ] - [ 0.0003080600000000, -0.0008868300000000, 0.0001107700000000 ] - [ 0.0004635000000000, -0.0008831400000000, -0.0004550800000000 ] - [ 0.0005079600000000, -0.0007860700000000, -0.0000769600000000 ] - [ 0.0002934200000000, -0.0007848200000000, 0.0000723100000000 ] - [ 0.0046492500000000, 0.0108032800000000, -0.0021635600000000 ] - [ 0.0002385800000000, 0.0006186400000000, 0.0000837300000000 ] - [ 0.0004454500000000, 0.0005795300000000, 0.0001987300000000 ] - [ 0.0003440600000000, 0.0005377100000000, 0.0001385700000000 ] - [ 0.0003651300000000, 0.0000556000000000, 0.0011109400000000 ] - [ 0.0008015000000000, 0.0003135400000000, 0.0005569300000000 ] - [ 0.0006157700000000, 0.0000013100000000, 0.0008539000000000 ] - [ 0.0005825700000000, 0.0000065100000000, 0.0009351400000000 ] - [ 0.0010038000000000, 0.0023144800000000, 0.0020443900000000 ] - [ 0.0005076300000000, -0.0000010000000000, -0.0006572300000000 ] - [ 0.0006705700000000, 0.0000384200000000, -0.0004591000000000 ] - [ 0.0005718500000000, 0.0000029800000000, -0.0007045800000000 ] - [ -0.0004059300000000, -0.0002308600000000, 0.0005914000000000 ] - [ -0.0010160500000000, -0.0000510900000000, 0.0012489400000000 ] - [ -0.0006254700000000, -0.0000006900000000, 0.0009784900000000 ] - [ -0.0006423700000000, 0.0000073200000000, 0.0005339400000000 ] - [ -0.0004039800000000, -0.0029501500000000, 0.0114427300000000 ] - [ -0.0006961000000000, -0.0000130800000000, -0.0008389300000000 ] - [ -0.0005504900000000, -0.0000142800000000, -0.0004525700000000 ] - [ -0.0006851900000000, -0.0000026400000000, -0.0005867000000000 ] - [ 0.0014808300000000, 0.0009890400000000, 0.0005642400000000 ] - [ -0.0007308800000000, 0.0001985300000000, 0.0002108600000000 ] - [ 0.0003052700000000, 0.0000138100000000, 0.0007121500000000 ] - [ 0.0000499600000000, 0.0000025900000000, 0.0005759100000000 ] - [ -0.0002942100000000, -0.0000362600000000, -0.0006355100000000 ] - [ -0.0098985700000000, -0.0036279500000000, -0.0065355400000000 ] - [ -0.0001472000000000, -0.0000017900000000, -0.0004979800000000 ] - [ 0.0000930700000000, -0.0000076700000000, -0.0002862000000000 ] - [ -0.0000369400000000, -0.0005568800000000, 0.0005599000000000 ] - [ -0.0002622900000000, 0.0000010800000000, 0.0004774500000000 ] - [ 0.0006359000000000, -0.0001087100000000, 0.0005905600000000 ] - [ -0.0004805300000000, -0.0000022800000000, 0.0007219600000000 ] - [ 0.0007389500000000, 0.0002444500000000, -0.0012115500000000 ] - [ -0.0000725600000000, 0.0000026600000000, -0.0004986200000000 ] - [ -0.0002154000000000, 0.0001791000000000, -0.0002014900000000 ] - [ -0.0000585000000000, 0.0000010500000000, -0.0004586100000000 ] - [ -0.0004413000000000, 0.0000312700000000, 0.0003604000000000 ] - [ -0.0009470300000000, 0.0010695800000000, 0.0005331200000000 ] - [ -0.0005275700000000, -0.0002743800000000, 0.0000322900000000 ] - [ -0.0007735800000000, -0.0001672100000000, 0.0000527100000000 ] - [ 0.0003874000000000, -0.0028872400000000, -0.0002841600000000 ] - [ 0.0004029300000000, 0.0000009400000000, -0.0007851700000000 ] - [ 0.0001450300000000, -0.0000112000000000, -0.0011045000000000 ] - [ 0.0002304900000000, -0.0000007700000000, -0.0008739200000000 ] - [ 0.0006752900000000, 0.0030359800000000, 0.0009633200000000 ] - [ 0.0009065200000000, -0.0000174200000000, 0.0008476400000000 ] - [ -0.0002231000000000, 0.0000006900000000, 0.0006872200000000 ] - [ -0.0001600200000000, 0.0000027900000000, 0.0007443700000000 ] - [ -0.0006772500000000, 0.0005628600000000, 0.0001245100000000 ] - [ -0.0000334600000000, 0.0000123000000000, -0.0008388200000000 ] - [ 0.0000044500000000, -0.0000151500000000, -0.0020131600000000 ] - [ -0.0001314500000000, 0.0000033000000000, -0.0008315200000000 ] - [ 0.0002651400000000, 0.0018917500000000, 0.0003184800000000 ] - [ 0.0008529300000000, 0.0003912300000000, -0.0001764500000000 ] - [ 0.0005803200000000, 0.0003323800000000, -0.0002384400000000 ] - [ 0.0006239300000000, 0.0003016400000000, -0.0001578300000000 ] - [ 0.0000622600000000, -0.0010075900000000, 0.0008130400000000 ] - [ 0.0007233000000000, -0.0004193100000000, 0.0001465700000000 ] - [ 0.0005329900000000, -0.0003375000000000, 0.0000298700000000 ] - [ 0.0006856300000000, -0.0003675900000000, 0.0000579000000000 ] - [ -0.0011384000000000, 0.0014588600000000, 0.0013901000000000 ] - [ -0.0004659300000000, -0.0001712800000000, -0.0000685400000000 ] - [ -0.0005829900000000, -0.0001178300000000, -0.0003844700000000 ] - [ -0.0005354400000000, -0.0002184000000000, -0.0001296200000000 ] - [ -0.0005900600000000, 0.0001079000000000, 0.0002715900000000 ] - [ 0.0004326000000000, -0.0008986200000000, -0.0003981800000000 ] - [ -0.0005373100000000, 0.0002694100000000, 0.0000595900000000 ] - [ -0.0007456200000000, 0.0001859100000000, 0.0000766500000000 ] - [ 0.0009167300000000, -0.0016337100000000, 0.0008155100000000 ] - [ 0.0007890700000000, -0.0004365100000000, -0.0001774200000000 ] - [ 0.0005975100000000, -0.0003234800000000, -0.0002803400000000 ] - [ 0.0006239100000000, -0.0003024300000000, -0.0001601900000000 ] - [ -0.0016147100000000, -0.0005425500000000, -0.0007281400000000 ] - [ -0.0004635500000000, 0.0001751600000000, -0.0000680800000000 ] - [ -0.0006198400000000, 0.0001605800000000, -0.0002718400000000 ] - [ -0.0005354800000000, 0.0002203500000000, -0.0001293400000000 ] - [ 0.0008988400000000, 0.0004192600000000, 0.0001513600000000 ] - [ 0.0007131300000000, 0.0004194900000000, 0.0001569600000000 ] - [ 0.0005513800000000, 0.0003212600000000, 0.0000822000000000 ] - [ 0.0006808100000000, 0.0003642000000000, 0.0000605900000000 ] - [ 0.0001816100000000, -0.0000567100000000, 0.0010682400000000 ] - [ 0.0002514700000000, -0.0000408900000000, 0.0008886400000000 ] - [ 0.0003812600000000, -0.0000377700000000, 0.0006416400000000 ] - [ -0.0000410000000000, -0.0000388800000000, 0.0007840500000000 ] - [ 0.0014046000000000, -0.0030486000000000, -0.0007168300000000 ] - [ -0.0003814600000000, 0.0000678400000000, -0.0004320400000000 ] - [ 0.0008789700000000, -0.0000076100000000, -0.0005186000000000 ] - [ 0.0006502300000000, 0.0000022300000000, -0.0005960100000000 ] - [ 0.0002169200000000, 0.0002678100000000, -0.0015704400000000 ] - [ 0.0009497900000000, -0.0000157600000000, 0.0003371000000000 ] - [ -0.0001940400000000, -0.0005389400000000, 0.0004433800000000 ] - [ 0.0009604700000000, -0.0000281500000000, 0.0003783600000000 ] - [ -0.0011860000000000, 0.0000384700000000, -0.0000868900000000 ] - [ -0.0005337000000000, 0.0000581400000000, -0.0009149900000000 ] - [ -0.0008365300000000, -0.0000231200000000, -0.0005997100000000 ] - [ -0.0005543100000000, 0.0000941300000000, -0.0002347500000000 ] - [ -0.0546075100000000, 0.1078422000000000, 0.0298391200000000 ] - [ -0.0005920100000000, -0.0000121600000000, 0.0005147500000000 ] - [ -0.0009555300000000, 0.0000061800000000, 0.0001018500000000 ] - [ -0.0007255800000000, 0.0000015400000000, 0.0003054200000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0620943100000000, 0.1211614800000000, 0.0381780700000000 ] - [ 0.0005941600000000, -0.0005352100000000, 0.0000802400000000 ] - [ 0.0003814900000000, -0.0005445500000000, -0.0000248800000000 ] - [ 0.0004864500000000, -0.0006035300000000, 0.0000325300000000 ] - [ 0.0005025200000000, 0.0005777100000000, -0.0000611900000000 ] - [ 0.0006023400000000, 0.0005754900000000, 0.0003622900000000 ] - [ 0.0003186200000000, 0.0004373100000000, -0.0000930200000000 ] - [ 0.0006100700000000, 0.0004375700000000, -0.0002756500000000 ] - [ -0.0006168500000000, 0.0010084100000000, 0.0003560700000000 ] - [ -0.0003136300000000, 0.0005552300000000, 0.0001864300000000 ] - [ -0.0008249600000000, 0.0010021900000000, -0.0002155900000000 ] - [ -0.0003023500000000, 0.0005531600000000, 0.0000574600000000 ] - [ -0.0017076600000000, -0.0024352300000000, 0.0004492700000000 ] - [ -0.0005090800000000, -0.0013215800000000, 0.0000397100000000 ] - [ -0.0003796800000000, -0.0005415900000000, -0.0002002200000000 ] - [ -0.0004124000000000, -0.0006109400000000, -0.0001073800000000 ] - [ 0.0034078300000000, -0.0022412300000000, 0.0000946000000000 ] - [ -0.0004761400000000, 0.0011411400000000, 0.0000714200000000 ] - [ -0.0003753900000000, 0.0005306000000000, -0.0002086500000000 ] - [ -0.0004125200000000, 0.0006069100000000, -0.0001098100000000 ] - [ -0.0007391500000000, -0.0015320900000000, -0.0003022600000000 ] - [ -0.0003427500000000, -0.0005797800000000, 0.0001588200000000 ] - [ -0.0010438000000000, -0.0015301200000000, -0.0001965000000000 ] - [ -0.0003209800000000, -0.0005777800000000, 0.0000521500000000 ] - [ 0.0005257700000000, -0.0002628200000000, -0.0002782100000000 ] - [ 0.0003675900000000, -0.0002601500000000, 0.0002881200000000 ] - [ 0.0003225900000000, -0.0003553200000000, -0.0000927500000000 ] - [ 0.0005366600000000, -0.0003561300000000, -0.0002428700000000 ] - [ -0.0038436900000000, -0.0097547600000000, 0.0023434700000000 ] - [ 0.0005950500000000, 0.0005269500000000, 0.0000846100000000 ] - [ 0.0003825500000000, 0.0005619700000000, -0.0000291200000000 ] - [ 0.0004874400000000, 0.0006060000000000, 0.0000299300000000 ] - [ 0.0008668700000000, -0.0000564600000000, 0.0002709000000000 ] - [ 0.0004309200000000, -0.0003134500000000, 0.0008209200000000 ] - [ 0.0006169300000000, -0.0000008900000000, 0.0005218400000000 ] - [ 0.0006511600000000, -0.0000063200000000, 0.0004374100000000 ] - [ 0.0002303300000000, -0.0023035200000000, -0.0034001500000000 ] - [ 0.0007264400000000, 0.0000014300000000, -0.0007168200000000 ] - [ 0.0005622100000000, -0.0000378600000000, -0.0009188800000000 ] - [ 0.0006615500000000, -0.0000025200000000, -0.0006704400000000 ] - [ -0.0008216600000000, 0.0002332900000000, 0.0007990000000000 ] - [ -0.0002165100000000, 0.0000511900000000, 0.0001231600000000 ] - [ -0.0006073500000000, 0.0000009100000000, 0.0003890100000000 ] - [ -0.0005903700000000, -0.0000072100000000, 0.0008403400000000 ] - [ -0.0008643900000000, 0.0030197400000000, -0.0129032900000000 ] - [ -0.0005364700000000, 0.0000133500000000, -0.0005334300000000 ] - [ -0.0006835100000000, 0.0000146600000000, -0.0009280900000000 ] - [ -0.0005466000000000, 0.0000031100000000, -0.0007884600000000 ] - [ -0.0013000700000000, -0.0009889200000000, 0.0004861900000000 ] - [ 0.0009001200000000, -0.0001973200000000, 0.0008362300000000 ] - [ -0.0001325400000000, -0.0000138000000000, 0.0003358500000000 ] - [ 0.0001226900000000, -0.0000019700000000, 0.0004714300000000 ] - [ 0.0001236000000000, 0.0000367900000000, -0.0004125700000000 ] - [ 0.0097849700000000, 0.0037023000000000, 0.0055685400000000 ] - [ -0.0000255100000000, 0.0000025700000000, -0.0005510500000000 ] - [ -0.0002656600000000, 0.0000079100000000, -0.0007623200000000 ] - [ -0.0001114900000000, 0.0005653900000000, 0.0004628800000000 ] - [ 0.0000926800000000, -0.0000005400000000, 0.0005705400000000 ] - [ -0.0008142500000000, 0.0001091800000000, 0.0004592600000000 ] - [ 0.0003091900000000, 0.0000024300000000, 0.0003252200000000 ] - [ -0.0005701300000000, -0.0002455300000000, 0.0001620400000000 ] - [ 0.0002455800000000, -0.0000018600000000, -0.0005498700000000 ] - [ 0.0003814500000000, -0.0001789600000000, -0.0008440200000000 ] - [ 0.0002307500000000, -0.0000005700000000, -0.0005886800000000 ] - [ -0.0007735900000000, -0.0005757700000000, -0.0001072100000000 ] - [ -0.0002616000000000, -0.0016137100000000, -0.0002830200000000 ] - [ -0.0006871100000000, -0.0002709800000000, 0.0002215500000000 ] - [ -0.0004393700000000, -0.0003787600000000, 0.0001992400000000 ] - [ -0.0000090400000000, 0.0029308200000000, -0.0014007000000000 ] - [ -0.0000252200000000, -0.0000008200000000, -0.0008852800000000 ] - [ 0.0002337100000000, 0.0000112900000000, -0.0005656100000000 ] - [ 0.0001471300000000, 0.0000008500000000, -0.0007962900000000 ] - [ -0.0011208200000000, -0.0030723900000000, 0.0007096500000000 ] - [ -0.0012877000000000, 0.0000187900000000, 0.0008231800000000 ] - [ -0.0001546000000000, -0.0000000200000000, 0.0009837400000000 ] - [ -0.0002186500000000, -0.0000021100000000, 0.0009260300000000 ] - [ 0.0003116700000000, -0.0005697700000000, -0.0017836600000000 ] - [ -0.0003473700000000, -0.0000123300000000, -0.0008316500000000 ] - [ -0.0003830200000000, 0.0000159700000000, 0.0003456100000000 ] - [ -0.0002478200000000, -0.0000032100000000, -0.0008390200000000 ] - [ 0.0009966300000000, -0.0013236200000000, -0.0005446300000000 ] - [ 0.0003596900000000, 0.0001572000000000, -0.0000775400000000 ] - [ 0.0006331200000000, 0.0002149900000000, -0.0000138700000000 ] - [ 0.0005887900000000, 0.0002455800000000, -0.0000947100000000 ] - [ 0.0011536400000000, 0.0004569700000000, -0.0005636200000000 ] - [ 0.0004887800000000, -0.0001271300000000, 0.0001058600000000 ] - [ 0.0006811100000000, -0.0002096700000000, 0.0002229500000000 ] - [ 0.0005272000000000, -0.0001786700000000, 0.0001950700000000 ] - [ -0.0000758000000000, -0.0019931100000000, -0.0016569700000000 ] - [ -0.0007482400000000, -0.0003748400000000, -0.0001843600000000 ] - [ -0.0006286000000000, -0.0004256600000000, 0.0001327500000000 ] - [ -0.0006787400000000, -0.0003281100000000, -0.0001237900000000 ] - [ -0.0006241500000000, 0.0004373100000000, -0.0000177400000000 ] - [ -0.0016492300000000, 0.0014466400000000, 0.0006546200000000 ] - [ -0.0006773100000000, 0.0002766900000000, 0.0001943900000000 ] - [ -0.0004674200000000, 0.0003607000000000, 0.0001756800000000 ] - [ 0.0002947300000000, 0.0010868200000000, -0.0010715300000000 ] - [ 0.0004238200000000, -0.0001111200000000, -0.0000769200000000 ] - [ 0.0006159100000000, -0.0002231500000000, 0.0000275600000000 ] - [ 0.0005887900000000, -0.0002440800000000, -0.0000926900000000 ] - [ 0.0004038700000000, 0.0010857300000000, 0.0004767900000000 ] - [ -0.0007506600000000, 0.0003716900000000, -0.0001844700000000 ] - [ -0.0005914400000000, 0.0003835200000000, 0.0000204400000000 ] - [ -0.0006786500000000, 0.0003269300000000, -0.0001236200000000 ] - [ 0.0002906300000000, 0.0001461400000000, 0.0001249800000000 ] - [ 0.0004985700000000, 0.0001274300000000, 0.0000957600000000 ] - [ 0.0006626300000000, 0.0002266400000000, 0.0001706600000000 ] - [ 0.0005321600000000, 0.0001828900000000, 0.0001926600000000 ] - [ 0.0001968000000000, 0.0000573800000000, 0.0006027000000000 ] - [ 0.0001264100000000, 0.0000415100000000, 0.0007827100000000 ] - [ -0.0000025800000000, 0.0000384500000000, 0.0010279700000000 ] - [ 0.0004191200000000, 0.0000394500000000, 0.0008854000000000 ] - [ 0.0002096400000000, 0.0030473900000000, -0.0000621700000000 ] - [ 0.0019887900000000, -0.0000675300000000, -0.0003477600000000 ] - [ 0.0007345800000000, 0.0000078900000000, -0.0002572900000000 ] - [ 0.0009631800000000, -0.0000016500000000, -0.0001787200000000 ] - [ 0.0013923300000000, -0.0002597100000000, 0.0023360200000000 ] - [ 0.0006624900000000, 0.0000160600000000, 0.0004374800000000 ] - [ 0.0018084600000000, 0.0005381700000000, 0.0003345300000000 ] - [ 0.0006525500000000, 0.0000283200000000, 0.0003976100000000 ] - [ -0.0004254000000000, -0.0000381100000000, -0.0006998600000000 ] - [ -0.0010805100000000, -0.0000575000000000, 0.0001411200000000 ] - [ -0.0008016900000000, 0.0000281700000000, -0.0001687000000000 ] - [ -0.0010616100000000, -0.0000921700000000, -0.0005415800000000 ] - [ 0.0556270700000000, -0.1114500300000000, -0.0305175400000000 ] - [ -0.0010253700000000, 0.0000126800000000, 0.0002605100000000 ] - [ -0.0006574400000000, -0.0000060500000000, 0.0006760800000000 ] - [ -0.0008899600000000, -0.0000011300000000, 0.0004714700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0200891100000000, -0.0379743900000000, -0.0308785800000000 ] - [ 0.0003578400000000, -0.0005707500000000, 0.0000359000000000 ] - [ 0.0003872400000000, -0.0004607100000000, 0.0002559800000000 ] - [ 0.0003712500000000, -0.0005208300000000, 0.0001508800000000 ] - [ 0.0000872300000000, 0.0001232800000000, -0.0002615500000000 ] - [ 0.0004570200000000, 0.0005492400000000, -0.0002618900000000 ] - [ 0.0005720800000000, 0.0007631500000000, 0.0000330800000000 ] - [ 0.0002904900000000, 0.0005818300000000, 0.0000335000000000 ] - [ -0.0004721300000000, 0.0002713000000000, 0.0003652200000000 ] - [ -0.0004012400000000, 0.0005457900000000, 0.0000806500000000 ] - [ -0.0002792600000000, 0.0008474200000000, 0.0003643200000000 ] - [ -0.0005358600000000, 0.0006760600000000, 0.0000807100000000 ] - [ 0.0000028200000000, -0.0000364200000000, -0.0002211200000000 ] - [ -0.0004785100000000, -0.0004491900000000, -0.0001705400000000 ] - [ -0.0004724300000000, -0.0006885900000000, 0.0000738100000000 ] - [ -0.0004289200000000, -0.0005974200000000, -0.0000327700000000 ] - [ 0.0002506400000000, 0.0003970600000000, -0.0004731500000000 ] - [ -0.0004796000000000, 0.0004164000000000, -0.0001484300000000 ] - [ -0.0004731700000000, 0.0006960300000000, 0.0000786100000000 ] - [ -0.0004286500000000, 0.0005987500000000, -0.0000328700000000 ] - [ -0.0004070300000000, -0.0002879200000000, 0.0002692500000000 ] - [ -0.0003939000000000, -0.0005393200000000, 0.0000885500000000 ] - [ -0.0000681500000000, -0.0001839600000000, 0.0002684500000000 ] - [ -0.0005125400000000, -0.0006469200000000, 0.0000885000000000 ] - [ 0.0000414600000000, -0.0001994600000000, -0.0001767800000000 ] - [ 0.0006515500000000, -0.0007689100000000, -0.0001767400000000 ] - [ 0.0005826700000000, -0.0007316800000000, 0.0000256700000000 ] - [ 0.0003117200000000, -0.0005823700000000, 0.0000261600000000 ] - [ 0.0052704500000000, 0.0028462800000000, -0.0034611200000000 ] - [ 0.0003593700000000, 0.0005765200000000, 0.0000341900000000 ] - [ 0.0003853900000000, 0.0004576500000000, 0.0002510200000000 ] - [ 0.0003708000000000, 0.0005196000000000, 0.0001502000000000 ] - [ 0.0004890300000000, 0.0001520500000000, -0.0000578600000000 ] - [ 0.0008460300000000, 0.0001890700000000, 0.0001554500000000 ] - [ 0.0006321900000000, 0.0000002300000000, 0.0010084000000000 ] - [ 0.0005692500000000, -0.0000011300000000, 0.0009387700000000 ] - [ 0.0008055900000000, 0.0012188000000000, 0.0000212400000000 ] - [ 0.0005756900000000, -0.0000004700000000, -0.0008267600000000 ] - [ 0.0006754100000000, -0.0000087100000000, -0.0001134700000000 ] - [ 0.0006170500000000, 0.0000007700000000, -0.0005281600000000 ] - [ -0.0001610500000000, 0.0001192400000000, 0.0009935900000000 ] - [ -0.0007956600000000, 0.0000120800000000, 0.0007564800000000 ] - [ -0.0006351500000000, 0.0000145400000000, 0.0013051900000000 ] - [ -0.0006089200000000, -0.0000002300000000, 0.0007101800000000 ] - [ -0.0042562100000000, 0.0059684500000000, 0.0005587300000000 ] - [ -0.0006047700000000, -0.0000024400000000, -0.0008469900000000 ] - [ -0.0005831900000000, -0.0000101600000000, -0.0001175400000000 ] - [ -0.0006946600000000, -0.0000028200000000, -0.0004516000000000 ] - [ -0.0002040000000000, 0.0000430600000000, 0.0002145300000000 ] - [ 0.0000434900000000, 0.0000151000000000, 0.0004312200000000 ] - [ 0.0002173200000000, 0.0000082000000000, 0.0006916000000000 ] - [ 0.0000580500000000, 0.0000020600000000, 0.0005875900000000 ] - [ -0.0002974300000000, -0.0000127500000000, -0.0007044900000000 ] - [ -0.0029399000000000, -0.0037157100000000, -0.0050869100000000 ] - [ -0.0000799500000000, -0.0000014800000000, -0.0004150600000000 ] - [ 0.0000731200000000, 0.0000005100000000, -0.0003384500000000 ] - [ -0.0017662900000000, -0.0008626600000000, 0.0018014400000000 ] - [ -0.0000449000000000, -0.0000010500000000, 0.0004434800000000 ] - [ 0.0000862000000000, 0.0000769400000000, 0.0007183100000000 ] - [ -0.0002736700000000, -0.0000024700000000, 0.0006267200000000 ] - [ 0.0002707000000000, -0.0001784800000000, -0.0004576800000000 ] - [ 0.0000109800000000, -0.0000003500000000, -0.0004965500000000 ] - [ -0.0000578900000000, 0.0001411500000000, -0.0003043400000000 ] - [ -0.0000079100000000, 0.0000016500000000, -0.0004862700000000 ] - [ -0.0006756900000000, -0.0002139500000000, 0.0002237100000000 ] - [ 0.0001457400000000, 0.0000061200000000, -0.0000883400000000 ] - [ -0.0004942200000000, -0.0003382000000000, -0.0000235300000000 ] - [ -0.0007115200000000, -0.0002380100000000, 0.0000119800000000 ] - [ 0.0001490000000000, -0.0003020600000000, -0.0000731900000000 ] - [ 0.0002488500000000, 0.0000012200000000, -0.0007700600000000 ] - [ 0.0001532000000000, -0.0000065500000000, -0.0011196000000000 ] - [ 0.0002045000000000, -0.0000005700000000, -0.0009036300000000 ] - [ -0.0002330400000000, 0.0005546500000000, 0.0018345600000000 ] - [ 0.0001308700000000, -0.0000481800000000, 0.0009058000000000 ] - [ -0.0002196400000000, 0.0000017500000000, 0.0005734700000000 ] - [ -0.0001884500000000, 0.0000010500000000, 0.0007324500000000 ] - [ -0.0011812300000000, 0.0008731200000000, -0.0016728600000000 ] - [ -0.0000056000000000, 0.0000145100000000, -0.0007911000000000 ] - [ -0.0001008600000000, 0.0000199300000000, -0.0013862000000000 ] - [ -0.0002217500000000, 0.0000002800000000, -0.0008758900000000 ] - [ 0.0017670900000000, 0.0009444300000000, 0.0014894700000000 ] - [ 0.0007144400000000, 0.0002399700000000, 0.0000102000000000 ] - [ 0.0006551700000000, 0.0002367900000000, -0.0002994800000000 ] - [ 0.0006000100000000, 0.0002852800000000, -0.0002144000000000 ] - [ 0.0004747600000000, -0.0003745800000000, 0.0006408600000000 ] - [ 0.0006462400000000, -0.0002871700000000, 0.0002024400000000 ] - [ 0.0005421600000000, -0.0002775100000000, -0.0000509800000000 ] - [ 0.0006354500000000, -0.0003095200000000, 0.0000544200000000 ] - [ -0.0008938300000000, 0.0003305600000000, 0.0021110100000000 ] - [ -0.0005396800000000, -0.0002512500000000, -0.0000968900000000 ] - [ -0.0006249500000000, -0.0002816500000000, -0.0004625200000000 ] - [ -0.0005912000000000, -0.0002616700000000, -0.0001609300000000 ] - [ -0.0006917600000000, 0.0002417300000000, 0.0002105900000000 ] - [ -0.0001905500000000, -0.0000285000000000, 0.0001537500000000 ] - [ -0.0005027400000000, 0.0003325800000000, 0.0000054700000000 ] - [ -0.0006925100000000, 0.0002532300000000, 0.0000344600000000 ] - [ 0.0006018500000000, -0.0006324000000000, 0.0002989900000000 ] - [ 0.0006728200000000, -0.0002577500000000, -0.0000060900000000 ] - [ 0.0006498200000000, -0.0002394300000000, -0.0002899300000000 ] - [ 0.0005992600000000, -0.0002852600000000, -0.0002145800000000 ] - [ -0.0009574300000000, -0.0000439600000000, -0.0003213800000000 ] - [ -0.0005431200000000, 0.0002505400000000, -0.0000940800000000 ] - [ -0.0006700800000000, 0.0003165800000000, -0.0003531300000000 ] - [ -0.0005905300000000, 0.0002635900000000, -0.0001596500000000 ] - [ -0.0006119700000000, 0.0008166100000000, 0.0021275300000000 ] - [ 0.0006441700000000, 0.0002898500000000, 0.0002142900000000 ] - [ 0.0005268800000000, 0.0002892800000000, -0.0000927400000000 ] - [ 0.0006349100000000, 0.0003089600000000, 0.0000545800000000 ] - [ 0.0000983100000000, -0.0000119900000000, 0.0008486400000000 ] - [ 0.0003318900000000, 0.0000087400000000, 0.0008030400000000 ] - [ 0.0003233300000000, -0.0000338500000000, 0.0007737300000000 ] - [ 0.0000060000000000, -0.0000268100000000, 0.0008223700000000 ] - [ 0.0007979200000000, -0.0004318600000000, 0.0000911900000000 ] - [ 0.0008914800000000, 0.0000098000000000, 0.0001397400000000 ] - [ 0.0009240400000000, -0.0000040700000000, -0.0006525500000000 ] - [ 0.0007303700000000, 0.0000025100000000, -0.0006073700000000 ] - [ 0.0006830900000000, -0.0001793000000000, -0.0002466300000000 ] - [ 0.0009286400000000, -0.0000191800000000, 0.0005147100000000 ] - [ 0.0005153400000000, 0.0001539400000000, -0.0000271400000000 ] - [ 0.0008279100000000, -0.0000072000000000, 0.0002654200000000 ] - [ -0.0010313100000000, -0.0000401600000000, -0.0007864200000000 ] - [ -0.0006120000000000, 0.0000226100000000, -0.0005178200000000 ] - [ 0.0005777600000000, -0.0002624300000000, -0.0008937200000000 ] - [ -0.0008438900000000, 0.0001092600000000, -0.0003969200000000 ] - [ -0.0191391300000000, 0.0297300800000000, 0.0305821000000000 ] - [ -0.0006581000000000, -0.0000050300000000, 0.0005530200000000 ] - [ -0.0008128000000000, -0.0000006900000000, -0.0000444600000000 ] - [ -0.0007699600000000, 0.0000006000000000, 0.0002203700000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0191890200000000, 0.0367525600000000, 0.0308483000000000 ] - [ 0.0004876900000000, -0.0005996000000000, 0.0001267600000000 ] - [ 0.0004529500000000, -0.0007009600000000, -0.0000895200000000 ] - [ 0.0004723300000000, -0.0006460800000000, 0.0000135400000000 ] - [ 0.0007519800000000, 0.0010372800000000, 0.0000954600000000 ] - [ 0.0003847700000000, 0.0006159100000000, 0.0000949800000000 ] - [ 0.0002714100000000, 0.0004028200000000, -0.0001970500000000 ] - [ 0.0005529200000000, 0.0005868600000000, -0.0001964000000000 ] - [ -0.0003688200000000, 0.0008897100000000, -0.0001998800000000 ] - [ -0.0004418600000000, 0.0006220900000000, 0.0000807600000000 ] - [ -0.0005618800000000, 0.0003199600000000, -0.0002001200000000 ] - [ -0.0003072500000000, 0.0004900700000000, 0.0000817400000000 ] - [ -0.0008405500000000, -0.0011237900000000, 0.0000561400000000 ] - [ -0.0003674800000000, -0.0007179400000000, 0.0000089600000000 ] - [ -0.0003690800000000, -0.0004770300000000, -0.0002350200000000 ] - [ -0.0004151900000000, -0.0005698300000000, -0.0001285500000000 ] - [ -0.0011033200000000, 0.0007759700000000, 0.0003113200000000 ] - [ -0.0003667800000000, 0.0007520000000000, -0.0000156500000000 ] - [ -0.0003687400000000, 0.0004701100000000, -0.0002417600000000 ] - [ -0.0004153100000000, 0.0005684300000000, -0.0001307800000000 ] - [ -0.0004353600000000, -0.0008746300000000, -0.0001025900000000 ] - [ -0.0004492400000000, -0.0006280600000000, 0.0000757400000000 ] - [ -0.0007710300000000, -0.0009764600000000, -0.0001023900000000 ] - [ -0.0003302900000000, -0.0005186400000000, 0.0000764600000000 ] - [ 0.0007969700000000, -0.0009604700000000, 0.0000129600000000 ] - [ 0.0001923600000000, -0.0003988900000000, 0.0000133300000000 ] - [ 0.0002603400000000, -0.0004338900000000, -0.0001877500000000 ] - [ 0.0005311500000000, -0.0005859300000000, -0.0001868500000000 ] - [ -0.0044159500000000, -0.0016444600000000, 0.0036035200000000 ] - [ 0.0004858800000000, 0.0005936900000000, 0.0001260700000000 ] - [ 0.0004545000000000, 0.0007043500000000, -0.0000868600000000 ] - [ 0.0004724800000000, 0.0006469500000000, 0.0000116600000000 ] - [ 0.0007492600000000, -0.0001505600000000, 0.0013714700000000 ] - [ 0.0003945100000000, -0.0001876400000000, 0.0011556500000000 ] - [ 0.0006069700000000, -0.0000002500000000, 0.0003134500000000 ] - [ 0.0006702200000000, 0.0000009400000000, 0.0003780400000000 ] - [ 0.0004353800000000, -0.0012104600000000, -0.0013399500000000 ] - [ 0.0006633700000000, 0.0000006500000000, -0.0004922900000000 ] - [ 0.0005646300000000, 0.0000089100000000, -0.0012019600000000 ] - [ 0.0006225900000000, -0.0000006700000000, -0.0007874000000000 ] - [ -0.0010766500000000, -0.0001197400000000, 0.0003274900000000 ] - [ -0.0004459600000000, -0.0000123000000000, 0.0005623800000000 ] - [ -0.0006044500000000, -0.0000143500000000, 0.0000193700000000 ] - [ -0.0006311100000000, 0.0000002400000000, 0.0006054200000000 ] - [ 0.0030593100000000, -0.0060478300000000, -0.0018684100000000 ] - [ -0.0006352400000000, 0.0000023900000000, -0.0004664000000000 ] - [ -0.0006554600000000, 0.0000101300000000, -0.0012030700000000 ] - [ -0.0005454900000000, 0.0000029300000000, -0.0008633100000000 ] - [ 0.0003883200000000, -0.0000423400000000, 0.0008371800000000 ] - [ 0.0001387300000000, -0.0000142800000000, 0.0006192300000000 ] - [ -0.0000321200000000, -0.0000081800000000, 0.0003615400000000 ] - [ 0.0001224100000000, -0.0000017200000000, 0.0004627400000000 ] - [ 0.0001063600000000, 0.0000126700000000, -0.0003511200000000 ] - [ 0.0027255500000000, 0.0037263200000000, 0.0040053400000000 ] - [ -0.0001046200000000, 0.0000018100000000, -0.0006367000000000 ] - [ -0.0002490500000000, -0.0000004200000000, -0.0007086900000000 ] - [ 0.0015743200000000, 0.0008543200000000, -0.0007407700000000 ] - [ -0.0001387600000000, 0.0000013200000000, 0.0006077900000000 ] - [ -0.0002659300000000, -0.0000775700000000, 0.0003334600000000 ] - [ 0.0000858300000000, 0.0000025500000000, 0.0004271000000000 ] - [ -0.0000867900000000, 0.0001803500000000, -0.0005950300000000 ] - [ 0.0001720300000000, 0.0000006600000000, -0.0005548200000000 ] - [ 0.0002385100000000, -0.0001398800000000, -0.0007447300000000 ] - [ 0.0001896200000000, -0.0000015200000000, -0.0005648100000000 ] - [ -0.0005378800000000, -0.0003301200000000, 0.0000316200000000 ] - [ -0.0013562300000000, -0.0005479500000000, 0.0003398200000000 ] - [ -0.0007187600000000, -0.0002073200000000, 0.0002764600000000 ] - [ -0.0005028400000000, -0.0003065600000000, 0.0002410200000000 ] - [ 0.0002236600000000, 0.0002976000000000, -0.0015970500000000 ] - [ 0.0001288400000000, -0.0000014100000000, -0.0009032500000000 ] - [ 0.0002227400000000, 0.0000063000000000, -0.0005552200000000 ] - [ 0.0001724100000000, 0.0000004100000000, -0.0007703900000000 ] - [ -0.0001414400000000, -0.0005427800000000, -0.0001586200000000 ] - [ -0.0005013700000000, 0.0000487600000000, 0.0007684200000000 ] - [ -0.0001572300000000, -0.0000013600000000, 0.0010983200000000 ] - [ -0.0001888000000000, -0.0000006700000000, 0.0009410200000000 ] - [ 0.0007950600000000, -0.0008656200000000, -0.0000023200000000 ] - [ -0.0003697700000000, -0.0000145500000000, -0.0008826800000000 ] - [ -0.0002750400000000, -0.0000204400000000, -0.0002912100000000 ] - [ -0.0001547100000000, -0.0000004500000000, -0.0007987900000000 ] - [ -0.0005152800000000, -0.0003713100000000, -0.0017290900000000 ] - [ 0.0005006300000000, 0.0003053500000000, -0.0002635400000000 ] - [ 0.0005585300000000, 0.0003087200000000, 0.0000445200000000 ] - [ 0.0006134700000000, 0.0002599800000000, -0.0000397200000000 ] - [ 0.0007355600000000, -0.0001726900000000, -0.0003827700000000 ] - [ 0.0005680300000000, -0.0002586800000000, 0.0000524800000000 ] - [ 0.0006710900000000, -0.0002676200000000, 0.0003037700000000 ] - [ 0.0005782500000000, -0.0002360700000000, 0.0001991100000000 ] - [ -0.0003665300000000, -0.0008624700000000, -0.0025101900000000 ] - [ -0.0006730800000000, -0.0002938200000000, -0.0001574100000000 ] - [ -0.0005887900000000, -0.0002633000000000, 0.0002056200000000 ] - [ -0.0006220900000000, -0.0002832200000000, -0.0000935900000000 ] - [ -0.0005223300000000, 0.0003029800000000, 0.0000447600000000 ] - [ -0.0010196700000000, 0.0005695400000000, 0.0000965000000000 ] - [ -0.0007103100000000, 0.0002130400000000, 0.0002480500000000 ] - [ -0.0005216100000000, 0.0002916300000000, 0.0002190700000000 ] - [ 0.0006124800000000, 0.0000815500000000, -0.0005477200000000 ] - [ 0.0005417400000000, -0.0002876800000000, -0.0002477100000000 ] - [ 0.0005638200000000, -0.0003058800000000, 0.0000345600000000 ] - [ 0.0006142000000000, -0.0002598800000000, -0.0000399000000000 ] - [ -0.0002592900000000, 0.0005869400000000, 0.0000652200000000 ] - [ -0.0006695300000000, 0.0002946700000000, -0.0001600000000000 ] - [ -0.0005442300000000, 0.0002288100000000, 0.0000980600000000 ] - [ -0.0006227500000000, 0.0002815300000000, -0.0000943200000000 ] - [ 0.0017599100000000, -0.0002315500000000, -0.0018185100000000 ] - [ 0.0005700200000000, 0.0002560600000000, 0.0000410400000000 ] - [ 0.0006864800000000, 0.0002558500000000, 0.0003463600000000 ] - [ 0.0005788000000000, 0.0002367800000000, 0.0001992600000000 ] - [ 0.0002782800000000, 0.0000120900000000, 0.0008254300000000 ] - [ 0.0000454800000000, -0.0000082800000000, 0.0008706100000000 ] - [ 0.0000541800000000, 0.0000338300000000, 0.0008989800000000 ] - [ 0.0003696400000000, 0.0000269200000000, 0.0008521600000000 ] - [ 0.0008159500000000, 0.0004228700000000, -0.0008553700000000 ] - [ 0.0007243500000000, -0.0000105300000000, -0.0009035200000000 ] - [ 0.0006936300000000, 0.0000040100000000, -0.0001158500000000 ] - [ 0.0008843600000000, -0.0000022100000000, -0.0001607400000000 ] - [ 0.0009315700000000, 0.0001768300000000, 0.0010133500000000 ] - [ 0.0006880300000000, 0.0000188500000000, 0.0002534100000000 ] - [ 0.0010957800000000, -0.0001538400000000, 0.0007931000000000 ] - [ 0.0007891700000000, 0.0000070100000000, 0.0005015200000000 ] - [ -0.0005857600000000, 0.0000405300000000, 0.0000185400000000 ] - [ -0.0010024700000000, -0.0000228700000000, -0.0002527700000000 ] - [ -0.0021851600000000, 0.0002590800000000, 0.0001244500000000 ] - [ -0.0007705100000000, -0.0001076800000000, -0.0003686900000000 ] - [ 0.0175350600000000, -0.0297440500000000, -0.0295214100000000 ] - [ -0.0009542200000000, 0.0000052700000000, 0.0002161100000000 ] - [ -0.0008051100000000, 0.0000007500000000, 0.0008090300000000 ] - [ -0.0008453100000000, -0.0000002600000000, 0.0005458800000000 ]- atom: 33 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0005794900000000, -0.0008380300000000, -0.0000529700000000 ] - [ 0.0006286600000000, -0.0004025100000000, 0.0003027600000000 ] - [ 0.0003999500000000, -0.0005849700000000, 0.0000924700000000 ] - [ 0.0004658200000000, -0.0006215100000000, 0.0000281400000000 ] - [ -0.0001367100000000, 0.0001990700000000, -0.0002640600000000 ] - [ 0.0006260200000000, 0.0006974100000000, -0.0000344000000000 ] - [ 0.0003224000000000, 0.0005315900000000, -0.0001334800000000 ] - [ 0.0004972200000000, 0.0006344600000000, -0.0000747800000000 ] - [ -0.0003621500000000, 0.0005594600000000, 0.0000683100000000 ] - [ -0.0004369700000000, 0.0005796500000000, 0.0000943700000000 ] - [ -0.0001227500000000, 0.0001837800000000, 0.0002544300000000 ] - [ -0.0000871400000000, 0.0007952400000000, -0.0003780000000000 ] - [ -0.0010755700000000, -0.0008403900000000, -0.0037445600000000 ] - [ -0.0002852400000000, -0.0005111500000000, -0.0000626000000000 ] - [ -0.0005537000000000, -0.0006540700000000, -0.0000419700000000 ] - [ -0.0003107500000000, -0.0005172700000000, -0.0001528700000000 ] - [ -0.0010755700000000, 0.0008403900000000, -0.0037445600000000 ] - [ -0.0002852400000000, 0.0005111500000000, -0.0000626000000000 ] - [ -0.0005537000000000, 0.0006540700000000, -0.0000419700000000 ] - [ -0.0003107500000000, 0.0005172700000000, -0.0001528700000000 ] - [ -0.0003621500000000, -0.0005594600000000, 0.0000683100000000 ] - [ -0.0004369700000000, -0.0005796500000000, 0.0000943700000000 ] - [ -0.0001227500000000, -0.0001837800000000, 0.0002544300000000 ] - [ -0.0000871400000000, -0.0007952400000000, -0.0003780000000000 ] - [ -0.0001367100000000, -0.0001990700000000, -0.0002640600000000 ] - [ 0.0006260200000000, -0.0006974100000000, -0.0000344000000000 ] - [ 0.0003224000000000, -0.0005315900000000, -0.0001334800000000 ] - [ 0.0004972200000000, -0.0006344600000000, -0.0000747800000000 ] - [ 0.0005794900000000, 0.0008380300000000, -0.0000529700000000 ] - [ 0.0006286600000000, 0.0004025100000000, 0.0003027600000000 ] - [ 0.0003999500000000, 0.0005849700000000, 0.0000924700000000 ] - [ 0.0004658200000000, 0.0006215100000000, 0.0000281400000000 ] - [ -0.0289061700000000, 0.0000000000000000, 0.0143186600000000 ] - [ 0.0008010900000000, 0.0000000000000000, 0.0006746300000000 ] - [ 0.0005578700000000, 0.0000000000000000, 0.0005759700000000 ] - [ 0.0006625300000000, 0.0000000000000000, 0.0006181800000000 ] - [ 0.0013639600000000, 0.0000000000000000, 0.0001997800000000 ] - [ 0.0013619000000000, 0.0000000000000000, -0.0007016900000000 ] - [ 0.0006151600000000, 0.0000000000000000, -0.0007582800000000 ] - [ 0.0006159500000000, 0.0000000000000000, -0.0007046400000000 ] - [ -0.0007211800000000, 0.0000000000000000, 0.0005143200000000 ] - [ -0.0005352800000000, 0.0000000000000000, 0.0007022500000000 ] - [ -0.0007213500000000, 0.0000000000000000, 0.0005384900000000 ] - [ -0.0005350300000000, 0.0000000000000000, 0.0006786400000000 ] - [ -0.0005439500000000, 0.0000000000000000, -0.0008946700000000 ] - [ -0.0007009000000000, 0.0000000000000000, -0.0002790700000000 ] - [ -0.0006121300000000, 0.0000000000000000, -0.0005303900000000 ] - [ -0.0006070400000000, 0.0000000000000000, -0.0009290300000000 ] - [ 0.0004265900000000, 0.0000000000000000, 0.0005961800000000 ] - [ -0.0060968700000000, 0.0000000000000000, 0.0064422000000000 ] - [ 0.0003240700000000, 0.0000000000000000, 0.0006362400000000 ] - [ -0.0001629800000000, 0.0000000000000000, 0.0003005700000000 ] - [ -0.0001298500000000, 0.0000000000000000, -0.0002769100000000 ] - [ 0.0002076500000000, 0.0000000000000000, -0.0004358600000000 ] - [ -0.0002161500000000, 0.0000000000000000, -0.0006070400000000 ] - [ -0.0000131800000000, 0.0000000000000000, -0.0005050000000000 ] - [ -0.0008242400000000, 0.0000000000000000, 0.0009901500000000 ] - [ 0.0002522500000000, 0.0000000000000000, 0.0004162000000000 ] - [ -0.0001683900000000, 0.0000000000000000, 0.0005118400000000 ] - [ 0.0000053100000000, 0.0000000000000000, 0.0005019800000000 ] - [ 0.0002617800000000, 0.0000000000000000, -0.0006958200000000 ] - [ 0.0001519200000000, 0.0000000000000000, -0.0005422100000000 ] - [ 0.0004351200000000, 0.0000000000000000, -0.0001413700000000 ] - [ 0.0007061200000000, 0.0000000000000000, -0.0007860800000000 ] - [ -0.0003438400000000, -0.0001911600000000, 0.0000209000000000 ] - [ -0.0007133200000000, -0.0003076700000000, 0.0001554100000000 ] - [ -0.0004914000000000, -0.0003345800000000, 0.0002402800000000 ] - [ -0.0007211400000000, -0.0002473100000000, 0.0000864800000000 ] - [ -0.0001703400000000, 0.0000000000000000, -0.0004521300000000 ] - [ 0.0002329900000000, 0.0000000000000000, -0.0010571000000000 ] - [ 0.0002069000000000, 0.0000000000000000, -0.0009894700000000 ] - [ 0.0001495100000000, 0.0000000000000000, -0.0006586300000000 ] - [ 0.0000775100000000, 0.0000000000000000, 0.0008691000000000 ] - [ -0.0003979300000000, 0.0000000000000000, 0.0008288900000000 ] - [ -0.0001209500000000, 0.0000000000000000, 0.0008907200000000 ] - [ -0.0002546600000000, 0.0000000000000000, 0.0008546300000000 ] - [ -0.0002675100000000, 0.0000000000000000, -0.0008843400000000 ] - [ -0.0001881800000000, 0.0000000000000000, -0.0006759600000000 ] - [ -0.0002356700000000, 0.0000000000000000, -0.0007869400000000 ] - [ -0.0001360800000000, 0.0000000000000000, -0.0008675200000000 ] - [ 0.0003879700000000, 0.0003166800000000, -0.0000798500000000 ] - [ 0.0041646500000000, 0.0032027400000000, 0.0003060700000000 ] - [ 0.0005566800000000, 0.0002703000000000, -0.0001142300000000 ] - [ 0.0006499700000000, 0.0002709100000000, -0.0000904200000000 ] - [ 0.0044115600000000, 0.0026555300000000, -0.0000253100000000 ] - [ 0.0003645500000000, -0.0001629700000000, 0.0000888300000000 ] - [ 0.0006490100000000, -0.0002695800000000, 0.0001752800000000 ] - [ 0.0005723100000000, -0.0002694700000000, 0.0001415700000000 ] - [ -0.0006726100000000, -0.0002062700000000, -0.0000278500000000 ] - [ -0.0006726800000000, -0.0002334000000000, -0.0001942100000000 ] - [ -0.0005031700000000, -0.0001158000000000, -0.0002625700000000 ] - [ -0.0007453300000000, -0.0004018600000000, -0.0000268300000000 ] - [ -0.0003438400000000, 0.0001911600000000, 0.0000209000000000 ] - [ -0.0007133200000000, 0.0003076700000000, 0.0001554100000000 ] - [ -0.0004914000000000, 0.0003345800000000, 0.0002402800000000 ] - [ -0.0007211400000000, 0.0002473100000000, 0.0000864800000000 ] - [ 0.0003879700000000, -0.0003166800000000, -0.0000798500000000 ] - [ 0.0041646500000000, -0.0032027400000000, 0.0003060700000000 ] - [ 0.0005566800000000, -0.0002703000000000, -0.0001142300000000 ] - [ 0.0006499700000000, -0.0002709100000000, -0.0000904200000000 ] - [ -0.0006726100000000, 0.0002062700000000, -0.0000278500000000 ] - [ -0.0006726800000000, 0.0002334000000000, -0.0001942100000000 ] - [ -0.0005031700000000, 0.0001158000000000, -0.0002625700000000 ] - [ -0.0007453300000000, 0.0004018600000000, -0.0000268300000000 ] - [ 0.0044115600000000, -0.0026555300000000, -0.0000253100000000 ] - [ 0.0003645500000000, 0.0001629700000000, 0.0000888300000000 ] - [ 0.0006490100000000, 0.0002695800000000, 0.0001752800000000 ] - [ 0.0005723100000000, 0.0002694700000000, 0.0001415700000000 ] - [ 0.0004073600000000, 0.0000000000000000, 0.0009457300000000 ] - [ 0.0001137200000000, 0.0000000000000000, 0.0008459600000000 ] - [ 0.0008190200000000, 0.0000000000000000, -0.0004441800000000 ] - [ -0.0001090600000000, 0.0000000000000000, 0.0008253400000000 ] - [ 0.0210079700000000, 0.0000000000000000, -0.0128433700000000 ] - [ 0.0005403600000000, 0.0000000000000000, -0.0004365500000000 ] - [ 0.0011107200000000, 0.0000000000000000, -0.0002839000000000 ] - [ 0.0005769600000000, 0.0000000000000000, -0.0003628000000000 ] - [ 0.0004226200000000, 0.0000000000000000, -0.0003603400000000 ] - [ -0.0002097600000000, 0.0000000000000000, 0.0010992000000000 ] - [ 0.0006470900000000, 0.0000000000000000, 0.0004683500000000 ] - [ 0.0007859100000000, 0.0000000000000000, 0.0004440600000000 ] - [ -0.0006852400000000, 0.0000000000000000, -0.0002356500000000 ] - [ -0.0009176800000000, 0.0000000000000000, -0.0004052500000000 ] - [ -0.0000846900000000, 0.0000000000000000, -0.0004519300000000 ] - [ -0.0011254000000000, 0.0000000000000000, -0.0003817400000000 ] - [ -0.0011684200000000, 0.0000000000000000, 0.0005223100000000 ] - [ -0.0007441300000000, 0.0000000000000000, 0.0000930900000000 ] - [ -0.0008299700000000, 0.0000000000000000, 0.0002676900000000 ] - [ -0.0007911200000000, 0.0000000000000000, 0.0006058700000000 ]- atom: 33 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0002733300000000, -0.0003517300000000, 0.0002069800000000 ] - [ 0.0002262900000000, -0.0007876000000000, -0.0001479000000000 ] - [ 0.0004607700000000, -0.0006142200000000, 0.0000623000000000 ] - [ 0.0003911400000000, -0.0005701800000000, 0.0001284400000000 ] - [ 0.0009957700000000, 0.0009966300000000, 0.0001083800000000 ] - [ 0.0002325400000000, 0.0004985200000000, -0.0001207800000000 ] - [ 0.0005382700000000, 0.0006652900000000, -0.0000198200000000 ] - [ 0.0003619200000000, 0.0005624300000000, -0.0000795600000000 ] - [ -0.0004975100000000, 0.0006356100000000, 0.0000874600000000 ] - [ -0.0004213900000000, 0.0006179800000000, 0.0000617500000000 ] - [ -0.0007343400000000, 0.0010080500000000, -0.0000982200000000 ] - [ -0.0007758300000000, 0.0004022100000000, 0.0005350500000000 ] - [ 0.0001794800000000, -0.0003956500000000, 0.0035711800000000 ] - [ -0.0005743200000000, -0.0006842100000000, -0.0000936100000000 ] - [ -0.0003067700000000, -0.0005449700000000, -0.0001110900000000 ] - [ -0.0005468100000000, -0.0006747500000000, -0.0000027600000000 ] - [ 0.0001794800000000, 0.0003956500000000, 0.0035711800000000 ] - [ -0.0005743200000000, 0.0006842100000000, -0.0000936100000000 ] - [ -0.0003067700000000, 0.0005449700000000, -0.0001110900000000 ] - [ -0.0005468100000000, 0.0006747500000000, -0.0000027600000000 ] - [ -0.0004975100000000, -0.0006356100000000, 0.0000874600000000 ] - [ -0.0004213900000000, -0.0006179800000000, 0.0000617500000000 ] - [ -0.0007343400000000, -0.0010080500000000, -0.0000982200000000 ] - [ -0.0007758300000000, -0.0004022100000000, 0.0005350500000000 ] - [ 0.0009957700000000, -0.0009966300000000, 0.0001083800000000 ] - [ 0.0002325400000000, -0.0004985200000000, -0.0001207800000000 ] - [ 0.0005382700000000, -0.0006652900000000, -0.0000198200000000 ] - [ 0.0003619200000000, -0.0005624300000000, -0.0000795600000000 ] - [ 0.0002733300000000, 0.0003517300000000, 0.0002069800000000 ] - [ 0.0002262900000000, 0.0007876000000000, -0.0001479000000000 ] - [ 0.0004607700000000, 0.0006142200000000, 0.0000623000000000 ] - [ 0.0003911400000000, 0.0005701800000000, 0.0001284400000000 ] - [ 0.0303444300000000, 0.0000000000000000, -0.0134482800000000 ] - [ 0.0004401100000000, 0.0000000000000000, 0.0006254100000000 ] - [ 0.0006841000000000, 0.0000000000000000, 0.0007272100000000 ] - [ 0.0005784100000000, 0.0000000000000000, 0.0006882900000000 ] - [ -0.0001218600000000, 0.0000000000000000, -0.0015021900000000 ] - [ -0.0001243700000000, 0.0000000000000000, -0.0005986500000000 ] - [ 0.0006263800000000, 0.0000000000000000, -0.0005407800000000 ] - [ 0.0006262400000000, 0.0000000000000000, -0.0005920700000000 ] - [ -0.0005196500000000, 0.0000000000000000, 0.0007938200000000 ] - [ -0.0007073200000000, 0.0000000000000000, 0.0005959800000000 ] - [ -0.0005203500000000, 0.0000000000000000, 0.0007665500000000 ] - [ -0.0007073100000000, 0.0000000000000000, 0.0006220100000000 ] - [ -0.0006980000000000, 0.0000000000000000, -0.0004128800000000 ] - [ -0.0005381800000000, 0.0000000000000000, -0.0010352300000000 ] - [ -0.0006299900000000, 0.0000000000000000, -0.0007665800000000 ] - [ -0.0006349300000000, 0.0000000000000000, -0.0003720300000000 ] - [ -0.0001989200000000, 0.0000000000000000, 0.0004751400000000 ] - [ 0.0063433900000000, 0.0000000000000000, -0.0054050200000000 ] - [ -0.0000975500000000, 0.0000000000000000, 0.0004357100000000 ] - [ 0.0003967200000000, 0.0000000000000000, 0.0007742700000000 ] - [ -0.0000920400000000, 0.0000000000000000, -0.0007963100000000 ] - [ -0.0004384700000000, 0.0000000000000000, -0.0006371900000000 ] - [ -0.0000104600000000, 0.0000000000000000, -0.0004635500000000 ] - [ -0.0002213200000000, 0.0000000000000000, -0.0005689200000000 ] - [ 0.0005956100000000, 0.0000000000000000, 0.0000819400000000 ] - [ -0.0004846600000000, 0.0000000000000000, 0.0006574900000000 ] - [ -0.0000648800000000, 0.0000000000000000, 0.0005634100000000 ] - [ -0.0002394800000000, 0.0000000000000000, 0.0005726100000000 ] - [ -0.0000393100000000, 0.0000000000000000, -0.0003714000000000 ] - [ 0.0000819800000000, 0.0000000000000000, -0.0005320500000000 ] - [ -0.0001977800000000, 0.0000000000000000, -0.0009285000000000 ] - [ -0.0004745600000000, 0.0000000000000000, -0.0002874600000000 ] - [ -0.0008742600000000, -0.0003601700000000, 0.0002330900000000 ] - [ -0.0004998000000000, -0.0002399900000000, 0.0001002200000000 ] - [ -0.0007225800000000, -0.0002132000000000, 0.0000140400000000 ] - [ -0.0004926600000000, -0.0003005600000000, 0.0001684100000000 ] - [ 0.0005523300000000, 0.0000000000000000, -0.0012202900000000 ] - [ 0.0001407500000000, 0.0000000000000000, -0.0006182900000000 ] - [ 0.0001693000000000, 0.0000000000000000, -0.0006886400000000 ] - [ 0.0002275900000000, 0.0000000000000000, -0.0010198500000000 ] - [ -0.0004541900000000, 0.0000000000000000, 0.0008127200000000 ] - [ 0.0000219000000000, 0.0000000000000000, 0.0008488100000000 ] - [ -0.0002563300000000, 0.0000000000000000, 0.0007836100000000 ] - [ -0.0001226300000000, 0.0000000000000000, 0.0008216500000000 ] - [ -0.0001104100000000, 0.0000000000000000, -0.0007904400000000 ] - [ -0.0001879200000000, 0.0000000000000000, -0.0010016800000000 ] - [ -0.0001403300000000, 0.0000000000000000, -0.0008906400000000 ] - [ -0.0002418800000000, 0.0000000000000000, -0.0008100600000000 ] - [ 0.0008257500000000, 0.0002326300000000, -0.0001743800000000 ] - [ -0.0030556900000000, -0.0027835900000000, -0.0005767400000000 ] - [ 0.0006575000000000, 0.0002770600000000, -0.0001426400000000 ] - [ 0.0005632900000000, 0.0002770800000000, -0.0001665800000000 ] - [ -0.0030989200000000, -0.0030801200000000, 0.0003056800000000 ] - [ 0.0008506300000000, -0.0003857600000000, 0.0001677500000000 ] - [ 0.0005643400000000, -0.0002783900000000, 0.0000787300000000 ] - [ 0.0006415400000000, -0.0002782900000000, 0.0001136100000000 ] - [ -0.0005382300000000, -0.0003436500000000, -0.0002306700000000 ] - [ -0.0005417300000000, -0.0003149700000000, -0.0000613500000000 ] - [ -0.0007112500000000, -0.0004318300000000, 0.0000051800000000 ] - [ -0.0004684200000000, -0.0001453500000000, -0.0002300400000000 ] - [ -0.0008742600000000, 0.0003601700000000, 0.0002330900000000 ] - [ -0.0004998000000000, 0.0002399900000000, 0.0001002200000000 ] - [ -0.0007225800000000, 0.0002132000000000, 0.0000140400000000 ] - [ -0.0004926600000000, 0.0003005600000000, 0.0001684100000000 ] - [ 0.0008257500000000, -0.0002326300000000, -0.0001743800000000 ] - [ -0.0030556900000000, 0.0027835900000000, -0.0005767400000000 ] - [ 0.0006575000000000, -0.0002770600000000, -0.0001426400000000 ] - [ 0.0005632900000000, -0.0002770800000000, -0.0001665800000000 ] - [ -0.0005382300000000, 0.0003436500000000, -0.0002306700000000 ] - [ -0.0005417300000000, 0.0003149700000000, -0.0000613500000000 ] - [ -0.0007112500000000, 0.0004318300000000, 0.0000051800000000 ] - [ -0.0004684200000000, 0.0001453500000000, -0.0002300400000000 ] - [ -0.0030989200000000, 0.0030801200000000, 0.0003056800000000 ] - [ 0.0008506300000000, 0.0003857600000000, 0.0001677500000000 ] - [ 0.0005643400000000, 0.0002783900000000, 0.0000787300000000 ] - [ 0.0006415400000000, 0.0002782900000000, 0.0001136100000000 ] - [ -0.0000316200000000, 0.0000000000000000, 0.0007257500000000 ] - [ 0.0002638900000000, 0.0000000000000000, 0.0008310000000000 ] - [ -0.0004275700000000, 0.0000000000000000, 0.0020903300000000 ] - [ 0.0004857800000000, 0.0000000000000000, 0.0008511600000000 ] - [ -0.0195149500000000, 0.0000000000000000, 0.0126070200000000 ] - [ 0.0010732700000000, 0.0000000000000000, -0.0003266200000000 ] - [ 0.0005031200000000, 0.0000000000000000, -0.0004842700000000 ] - [ 0.0010357100000000, 0.0000000000000000, -0.0004027900000000 ] - [ 0.0011890600000000, 0.0000000000000000, 0.0011278100000000 ] - [ 0.0018294700000000, 0.0000000000000000, -0.0003381000000000 ] - [ 0.0009708300000000, 0.0000000000000000, 0.0002930300000000 ] - [ 0.0008251200000000, 0.0000000000000000, 0.0003181100000000 ] - [ -0.0009298600000000, 0.0000000000000000, -0.0005350300000000 ] - [ -0.0006944900000000, 0.0000000000000000, -0.0003595400000000 ] - [ -0.0015301600000000, 0.0000000000000000, -0.0003140700000000 ] - [ -0.0004870600000000, 0.0000000000000000, -0.0003839600000000 ] - [ -0.0004418700000000, 0.0000000000000000, 0.0002423600000000 ] - [ -0.0008720300000000, 0.0000000000000000, 0.0006754400000000 ] - [ -0.0007833000000000, 0.0000000000000000, 0.0004950300000000 ] - [ -0.0008216800000000, 0.0000000000000000, 0.0001554900000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0004225000000000, -0.0005270900000000, 0.0002321800000000 ] - [ 0.0004813500000000, -0.0002696200000000, 0.0002694900000000 ] - [ 0.0004189000000000, -0.0005779300000000, 0.0000841300000000 ] - [ 0.0004206100000000, -0.0005767400000000, 0.0000812900000000 ] - [ 0.0009979100000000, 0.0028975000000000, 0.0011363500000000 ] - [ 0.0004217700000000, 0.0005823700000000, -0.0000825800000000 ] - [ 0.0004289400000000, 0.0006177300000000, -0.0000916300000000 ] - [ 0.0004249100000000, 0.0005879300000000, -0.0000807500000000 ] - [ -0.0004194000000000, 0.0005865400000000, 0.0000830100000000 ] - [ -0.0004407300000000, 0.0005814400000000, 0.0000676700000000 ] - [ -0.0004201800000000, 0.0005278700000000, 0.0000705000000000 ] - [ -0.0001576800000000, 0.0003499100000000, -0.0000373200000000 ] - [ -0.0005047200000000, -0.0035880000000000, -0.0061109400000000 ] - [ -0.0004325300000000, -0.0005988200000000, -0.0000783000000000 ] - [ -0.0004185800000000, -0.0005956900000000, -0.0000712800000000 ] - [ -0.0004251300000000, -0.0005862300000000, -0.0000780200000000 ] - [ -0.0003356000000000, -0.0023821100000000, 0.0059045600000000 ] - [ -0.0004134700000000, 0.0005722200000000, -0.0000844400000000 ] - [ -0.0004217200000000, 0.0005664600000000, -0.0000924700000000 ] - [ -0.0004185700000000, 0.0005799100000000, -0.0000849000000000 ] - [ -0.0004217400000000, -0.0005725700000000, 0.0000836400000000 ] - [ -0.0003997000000000, -0.0005833700000000, 0.0000982300000000 ] - [ -0.0004188000000000, -0.0006304200000000, 0.0000961800000000 ] - [ -0.0006866700000000, -0.0008145900000000, 0.0002027700000000 ] - [ -0.0001597800000000, 0.0017202500000000, -0.0012917100000000 ] - [ 0.0004230300000000, -0.0005856500000000, -0.0000801600000000 ] - [ 0.0004118200000000, -0.0005416900000000, -0.0000728500000000 ] - [ 0.0004214600000000, -0.0005829800000000, -0.0000811200000000 ] - [ 0.0004198000000000, 0.0006384100000000, -0.0000715000000000 ] - [ 0.0003629200000000, 0.0008958000000000, -0.0001083200000000 ] - [ 0.0004194900000000, 0.0005798900000000, 0.0000824000000000 ] - [ 0.0004232800000000, 0.0005889700000000, 0.0000821300000000 ] - [ 0.0006391000000000, -0.0276170700000000, 0.0004094200000000 ] - [ 0.0006191100000000, 0.0000005800000000, 0.0006664000000000 ] - [ 0.0006184400000000, -0.0000011000000000, 0.0006743400000000 ] - [ 0.0006192600000000, -0.0000010300000000, 0.0006697800000000 ] - [ 0.0006181100000000, -0.0002368700000000, -0.0006751200000000 ] - [ 0.0006177100000000, -0.0002368800000000, -0.0006703500000000 ] - [ 0.0006187300000000, 0.0000025100000000, -0.0006724000000000 ] - [ 0.0006192600000000, 0.0000024500000000, -0.0006674700000000 ] - [ -0.0006189600000000, 0.0000561100000000, 0.0006749300000000 ] - [ -0.0006193600000000, 0.0000029300000000, 0.0006663800000000 ] - [ -0.0006185500000000, 0.0000563300000000, 0.0006766000000000 ] - [ -0.0006193500000000, 0.0000030100000000, 0.0006676200000000 ] - [ -0.0006189800000000, 0.0000580400000000, -0.0006703300000000 ] - [ -0.0006179700000000, 0.0000153200000000, -0.0006722500000000 ] - [ -0.0006184500000000, -0.0000013400000000, -0.0006732400000000 ] - [ -0.0006193400000000, 0.0000234900000000, -0.0006682500000000 ] - [ 0.0000947000000000, -0.0000031700000000, 0.0005280500000000 ] - [ 0.0001234000000000, -0.0007773100000000, 0.0005389600000000 ] - [ 0.0000925200000000, -0.0000010300000000, 0.0005272400000000 ] - [ 0.0000905000000000, -0.0000133900000000, 0.0005263200000000 ] - [ -0.0000932200000000, 0.0004682100000000, -0.0005292500000000 ] - [ -0.0000941100000000, -0.0000146500000000, -0.0005277600000000 ] - [ -0.0000928000000000, 0.0000086900000000, -0.0005270600000000 ] - [ -0.0000889800000000, 0.0000001200000000, -0.0005253100000000 ] - [ -0.0000845100000000, 0.0000861600000000, 0.0005234600000000 ] - [ -0.0000946300000000, 0.0000162000000000, 0.0005280700000000 ] - [ -0.0000913300000000, 0.0000156200000000, 0.0005269800000000 ] - [ -0.0000963200000000, 0.0000011000000000, 0.0005289800000000 ] - [ 0.0000868500000000, -0.0001158600000000, -0.0005242100000000 ] - [ 0.0000931400000000, -0.0000026800000000, -0.0005271000000000 ] - [ 0.0000922800000000, -0.0002391800000000, -0.0005251100000000 ] - [ 0.0000909700000000, -0.0000272000000000, -0.0005263900000000 ] - [ -0.0007002700000000, -0.0003562100000000, -0.0000046200000000 ] - [ -0.0006032500000000, -0.0002730900000000, 0.0001280500000000 ] - [ -0.0006241400000000, -0.0002665900000000, 0.0001999600000000 ] - [ -0.0006076700000000, -0.0002719700000000, 0.0001273200000000 ] - [ 0.0001904500000000, 0.0001393800000000, -0.0008388200000000 ] - [ 0.0001857900000000, 0.0000561300000000, -0.0008382800000000 ] - [ 0.0001884800000000, -0.0000038600000000, -0.0008391000000000 ] - [ 0.0001890400000000, 0.0000139800000000, -0.0008397300000000 ] - [ -0.0001883600000000, -0.0002439500000000, 0.0008411300000000 ] - [ -0.0001885200000000, -0.0000157900000000, 0.0008394900000000 ] - [ -0.0001888000000000, -0.0000032100000000, 0.0008374200000000 ] - [ -0.0001895100000000, -0.0000006000000000, 0.0008390100000000 ] - [ -0.0001903100000000, -0.0000147200000000, -0.0008380000000000 ] - [ -0.0001882600000000, -0.0002538300000000, -0.0008396200000000 ] - [ -0.0001884500000000, -0.0000045700000000, -0.0008394300000000 ] - [ -0.0001894400000000, -0.0000017400000000, -0.0008401600000000 ] - [ 0.0006277800000000, 0.0002777500000000, -0.0001274400000000 ] - [ 0.0037327100000000, 0.0035776700000000, 0.0005993900000000 ] - [ 0.0006077400000000, 0.0002707200000000, -0.0001305200000000 ] - [ 0.0006057400000000, 0.0002726400000000, -0.0001268400000000 ] - [ 0.0034017000000000, 0.0031070600000000, 0.0001802400000000 ] - [ 0.0006340300000000, -0.0002630400000000, 0.0001216900000000 ] - [ 0.0006038800000000, -0.0002693100000000, 0.0001314800000000 ] - [ 0.0006062600000000, -0.0002710600000000, 0.0001276200000000 ] - [ -0.0005237900000000, -0.0003639900000000, -0.0001400200000000 ] - [ -0.0006143300000000, -0.0002689800000000, -0.0001457100000000 ] - [ -0.0005820500000000, -0.0002928900000000, -0.0000885800000000 ] - [ -0.0006252000000000, -0.0002858500000000, -0.0001196700000000 ] - [ -0.0005164600000000, 0.0001908200000000, 0.0002603400000000 ] - [ -0.0006107600000000, 0.0002693900000000, 0.0001281600000000 ] - [ -0.0005896200000000, 0.0002763400000000, 0.0000546300000000 ] - [ -0.0006062000000000, 0.0002706100000000, 0.0001277100000000 ] - [ 0.0005861100000000, -0.0002653300000000, -0.0001280400000000 ] - [ -0.0026382600000000, 0.0031148000000000, -0.0008674700000000 ] - [ 0.0006066100000000, -0.0002716300000000, -0.0001265600000000 ] - [ 0.0006082400000000, -0.0002697700000000, -0.0001302100000000 ] - [ -0.0006878100000000, 0.0001792800000000, -0.0001178100000000 ] - [ -0.0006010400000000, 0.0002746000000000, -0.0001106600000000 ] - [ -0.0006330900000000, 0.0002501300000000, -0.0001691100000000 ] - [ -0.0005889800000000, 0.0002565300000000, -0.0001374200000000 ] - [ -0.0020750800000000, 0.0035674300000000, 0.0001000900000000 ] - [ 0.0005805200000000, 0.0002802400000000, 0.0001355600000000 ] - [ 0.0006101400000000, 0.0002731800000000, 0.0001228700000000 ] - [ 0.0006071200000000, 0.0002712800000000, 0.0001281300000000 ] - [ 0.0001898300000000, 0.0000687000000000, 0.0008359100000000 ] - [ 0.0001892200000000, 0.0000026000000000, 0.0008394400000000 ] - [ 0.0001919700000000, -0.0001504900000000, 0.0008185600000000 ] - [ 0.0001891900000000, 0.0000004000000000, 0.0008393600000000 ] - [ 0.0007670100000000, 0.0188411700000000, -0.0000905700000000 ] - [ 0.0008051600000000, 0.0000159600000000, -0.0003832500000000 ] - [ 0.0008038100000000, 0.0000149300000000, -0.0003863600000000 ] - [ 0.0008051200000000, 0.0000058200000000, -0.0003846000000000 ] - [ 0.0008016700000000, 0.0000605200000000, 0.0003877800000000 ] - [ 0.0008045400000000, 0.0004701300000000, 0.0003853800000000 ] - [ 0.0008052300000000, -0.0000681300000000, 0.0003840600000000 ] - [ 0.0008024700000000, -0.0000272800000000, 0.0003838300000000 ] - [ -0.0008031200000000, -0.0000408100000000, -0.0003874000000000 ] - [ -0.0008051400000000, -0.0000034700000000, -0.0003845400000000 ] - [ -0.0008084800000000, -0.0017729800000000, -0.0003843300000000 ] - [ -0.0008048100000000, 0.0000058400000000, -0.0003843300000000 ] - [ -0.0008044400000000, -0.0001627100000000, 0.0003839500000000 ] - [ -0.0008047800000000, -0.0003009900000000, 0.0003859800000000 ] - [ -0.0008029500000000, -0.0000014000000000, 0.0003836900000000 ] - [ -0.0008051300000000, -0.0000036100000000, 0.0003828700000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ -0.0003329900000000, -0.0001777600000000, -0.0006291900000000 ] - [ 0.0006100000000000, -0.0007322900000000, -0.0004157000000000 ] - [ 0.0004068000000000, -0.0004286300000000, 0.0004315400000000 ] - [ 0.0002641700000000, -0.0003488600000000, 0.0003635200000000 ] - [ 0.0006756800000000, 0.0033150000000000, 0.0005924000000000 ] - [ 0.0004211700000000, 0.0006254200000000, -0.0002495700000000 ] - [ 0.0006875200000000, 0.0008260900000000, 0.0004609000000000 ] - [ 0.0003869300000000, 0.0005812100000000, 0.0000478800000000 ] - [ -0.0007044600000000, 0.0007492600000000, 0.0001352800000000 ] - [ 0.0001386100000000, 0.0003015500000000, 0.0007259900000000 ] - [ 0.0001260900000000, 0.0000340300000000, 0.0001789500000000 ] - [ -0.0018007900000000, 0.0007002500000000, 0.0004147100000000 ] - [ -0.0070912800000000, -0.0127100800000000, 0.0011534900000000 ] - [ -0.0003005800000000, -0.0004468400000000, -0.0002726500000000 ] - [ -0.0004750900000000, -0.0008314200000000, 0.0004588500000000 ] - [ -0.0005165400000000, -0.0006975200000000, 0.0001227000000000 ] - [ -0.0070912800000000, 0.0127100800000000, 0.0011534900000000 ] - [ -0.0003005800000000, 0.0004468400000000, -0.0002726500000000 ] - [ -0.0004750900000000, 0.0008314200000000, 0.0004588500000000 ] - [ -0.0005165400000000, 0.0006975200000000, 0.0001227000000000 ] - [ -0.0007044600000000, -0.0007492600000000, 0.0001352800000000 ] - [ 0.0001386100000000, -0.0003015500000000, 0.0007259900000000 ] - [ 0.0001260900000000, -0.0000340300000000, 0.0001789500000000 ] - [ -0.0018007900000000, -0.0007002500000000, 0.0004147100000000 ] - [ 0.0006756800000000, -0.0033150000000000, 0.0005924000000000 ] - [ 0.0004211700000000, -0.0006254200000000, -0.0002495700000000 ] - [ 0.0006875200000000, -0.0008260900000000, 0.0004609000000000 ] - [ 0.0003869300000000, -0.0005812100000000, 0.0000478800000000 ] - [ -0.0003329900000000, 0.0001777600000000, -0.0006291900000000 ] - [ 0.0006100000000000, 0.0007322900000000, -0.0004157000000000 ] - [ 0.0004068000000000, 0.0004286300000000, 0.0004315400000000 ] - [ 0.0002641700000000, 0.0003488600000000, 0.0003635200000000 ] - [ 0.0141627100000000, 0.0000000000000000, -0.1698334600000000 ] - [ 0.0006383800000000, 0.0000000000000000, -0.0001942800000000 ] - [ 0.0005311700000000, 0.0000000000000000, 0.0023049100000000 ] - [ 0.0005748500000000, 0.0000000000000000, 0.0012998200000000 ] - [ 0.0006537300000000, 0.0000000000000000, -0.0023649600000000 ] - [ -0.0002378700000000, 0.0000000000000000, -0.0023627900000000 ] - [ 0.0006666700000000, 0.0000000000000000, 0.0004764700000000 ] - [ 0.0007155100000000, 0.0000000000000000, 0.0004762500000000 ] - [ -0.0004931200000000, 0.0000000000000000, 0.0023267700000000 ] - [ -0.0006390400000000, 0.0000000000000000, 0.0007066700000000 ] - [ -0.0004687100000000, 0.0000000000000000, 0.0023242100000000 ] - [ -0.0006646400000000, 0.0000000000000000, 0.0007079200000000 ] - [ -0.0008538100000000, 0.0000000000000000, -0.0005314000000000 ] - [ -0.0002367100000000, 0.0000000000000000, -0.0012222800000000 ] - [ -0.0004852800000000, 0.0000000000000000, 0.0000790100000000 ] - [ -0.0008891500000000, 0.0000000000000000, 0.0003119100000000 ] - [ -0.0002742300000000, 0.0000000000000000, 0.0002575000000000 ] - [ 0.0122539200000000, 0.0000000000000000, 0.0055173800000000 ] - [ 0.0002558700000000, 0.0000000000000000, 0.0007818500000000 ] - [ 0.0002809900000000, 0.0000000000000000, 0.0015489600000000 ] - [ 0.0002685900000000, 0.0000000000000000, -0.0013151800000000 ] - [ -0.0008860900000000, 0.0000000000000000, -0.0009937400000000 ] - [ 0.0000164800000000, 0.0000000000000000, -0.0000735300000000 ] - [ 0.0001394100000000, 0.0000000000000000, -0.0002431300000000 ] - [ 0.0018796800000000, 0.0000000000000000, -0.0007852500000000 ] - [ -0.0002285500000000, 0.0000000000000000, 0.0003649000000000 ] - [ -0.0005854900000000, 0.0000000000000000, 0.0010745100000000 ] - [ -0.0000829100000000, 0.0000000000000000, 0.0006848800000000 ] - [ -0.0012784700000000, 0.0000000000000000, 0.0005979500000000 ] - [ 0.0005073600000000, 0.0000000000000000, -0.0005210500000000 ] - [ 0.0036541900000000, 0.0000000000000000, -0.0004491700000000 ] - [ -0.0008251300000000, 0.0000000000000000, -0.0002297400000000 ] - [ -0.0014581300000000, -0.0015599800000000, -0.0004207300000000 ] - [ -0.0004170900000000, -0.0001938300000000, 0.0001509000000000 ] - [ -0.0003244800000000, -0.0001397400000000, -0.0005170600000000 ] - [ -0.0007052100000000, -0.0002434200000000, -0.0000239900000000 ] - [ 0.0018067900000000, 0.0000000000000000, -0.0003290800000000 ] - [ -0.0011477600000000, 0.0000000000000000, -0.0003713700000000 ] - [ -0.0000026200000000, 0.0000000000000000, -0.0014263100000000 ] - [ 0.0002931800000000, 0.0000000000000000, -0.0013310200000000 ] - [ -0.0001199500000000, 0.0000000000000000, 0.0024345900000000 ] - [ -0.0001208100000000, 0.0000000000000000, 0.0010655200000000 ] - [ -0.0002750800000000, 0.0000000000000000, 0.0000677000000000 ] - [ -0.0001768700000000, 0.0000000000000000, 0.0006141700000000 ] - [ -0.0005651500000000, 0.0000000000000000, -0.0004410900000000 ] - [ 0.0004442200000000, 0.0000000000000000, -0.0004838300000000 ] - [ -0.0000081000000000, 0.0000000000000000, -0.0011761300000000 ] - [ -0.0003782000000000, 0.0000000000000000, -0.0011541700000000 ] - [ 0.0005228400000000, 0.0005585400000000, 0.0003534900000000 ] - [ 0.0024344600000000, 0.0018131000000000, 0.0026869700000000 ] - [ 0.0006944700000000, 0.0001874400000000, -0.0004157600000000 ] - [ 0.0006710000000000, 0.0002953400000000, -0.0006270800000000 ] - [ -0.0001787800000000, -0.0008946200000000, 0.0028419000000000 ] - [ 0.0008027000000000, -0.0004207200000000, 0.0004729500000000 ] - [ 0.0005550300000000, -0.0003539800000000, -0.0004055000000000 ] - [ 0.0005057700000000, -0.0002218500000000, -0.0001309400000000 ] - [ 0.0002370900000000, -0.0006913200000000, -0.0007572400000000 ] - [ -0.0008069400000000, -0.0004120300000000, -0.0000904500000000 ] - [ -0.0009530800000000, -0.0002155200000000, -0.0005917000000000 ] - [ -0.0003992200000000, -0.0000804400000000, -0.0003263100000000 ] - [ -0.0014581300000000, 0.0015599800000000, -0.0004207300000000 ] - [ -0.0004170900000000, 0.0001938300000000, 0.0001509000000000 ] - [ -0.0003244800000000, 0.0001397400000000, -0.0005170600000000 ] - [ -0.0007052100000000, 0.0002434200000000, -0.0000239900000000 ] - [ 0.0005228400000000, -0.0005585400000000, 0.0003534900000000 ] - [ 0.0024344600000000, -0.0018131000000000, 0.0026869700000000 ] - [ 0.0006944700000000, -0.0001874400000000, -0.0004157600000000 ] - [ 0.0006710000000000, -0.0002953400000000, -0.0006270800000000 ] - [ 0.0002370900000000, 0.0006913200000000, -0.0007572400000000 ] - [ -0.0008069400000000, 0.0004120300000000, -0.0000904500000000 ] - [ -0.0009530800000000, 0.0002155200000000, -0.0005917000000000 ] - [ -0.0003992200000000, 0.0000804400000000, -0.0003263100000000 ] - [ -0.0001787800000000, 0.0008946200000000, 0.0028419000000000 ] - [ 0.0008027000000000, 0.0004207200000000, 0.0004729500000000 ] - [ 0.0005550300000000, 0.0003539800000000, -0.0004055000000000 ] - [ 0.0005057700000000, 0.0002218500000000, -0.0001309400000000 ] - [ 0.0002302100000000, 0.0000000000000000, -0.0009974600000000 ] - [ 0.0002802400000000, 0.0000000000000000, 0.0007775400000000 ] - [ -0.0007983600000000, 0.0000000000000000, 0.0076242200000000 ] - [ 0.0001142100000000, 0.0000000000000000, 0.0008709700000000 ] - [ -0.0117549200000000, 0.0000000000000000, 0.1454044600000000 ] - [ 0.0008588500000000, 0.0000000000000000, 0.0003416800000000 ] - [ 0.0006428700000000, 0.0000000000000000, -0.0017239100000000 ] - [ 0.0008073800000000, 0.0000000000000000, -0.0009083400000000 ] - [ -0.0012811400000000, 0.0000000000000000, 0.0024342700000000 ] - [ 0.0028769800000000, 0.0000000000000000, 0.0010781300000000 ] - [ 0.0019332900000000, 0.0000000000000000, -0.0005598600000000 ] - [ 0.0000794800000000, 0.0000000000000000, -0.0005011800000000 ] - [ -0.0008849300000000, 0.0000000000000000, -0.0018316400000000 ] - [ -0.0007904700000000, 0.0000000000000000, -0.0004254000000000 ] - [ -0.0038732600000000, 0.0000000000000000, -0.0010084600000000 ] - [ -0.0007408500000000, 0.0000000000000000, -0.0004511800000000 ] - [ -0.0002660300000000, 0.0000000000000000, 0.0001041000000000 ] - [ -0.0010962500000000, 0.0000000000000000, 0.0007781000000000 ] - [ -0.0008155900000000, 0.0000000000000000, -0.0002441500000000 ] - [ -0.0006930400000000, 0.0000000000000000, -0.0003899000000000 ]- atom: 33 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0011730700000000, -0.0009806700000000, 0.0007967700000000 ] - [ 0.0002333800000000, -0.0004274000000000, 0.0005835800000000 ] - [ 0.0004291400000000, -0.0007261300000000, -0.0002656900000000 ] - [ 0.0005741400000000, -0.0008096100000000, -0.0001987000000000 ] - [ 0.0001576300000000, -0.0021644300000000, -0.0007678800000000 ] - [ 0.0004166300000000, 0.0005316800000000, 0.0000847700000000 ] - [ 0.0001490800000000, 0.0003304000000000, -0.0006269600000000 ] - [ 0.0004520500000000, 0.0005780000000000, -0.0002125400000000 ] - [ -0.0001323900000000, 0.0004073700000000, 0.0000309200000000 ] - [ -0.0009769300000000, 0.0008558900000000, -0.0005601500000000 ] - [ -0.0009639800000000, 0.0011224300000000, -0.0000139800000000 ] - [ 0.0009600800000000, 0.0004561900000000, -0.0002522400000000 ] - [ 0.0063176700000000, 0.0116858600000000, -0.0012718600000000 ] - [ -0.0005383500000000, -0.0007122600000000, 0.0001087000000000 ] - [ -0.0003598100000000, -0.0003217800000000, -0.0006246200000000 ] - [ -0.0003214400000000, -0.0004599500000000, -0.0002882200000000 ] - [ 0.0063176700000000, -0.0116858600000000, -0.0012718600000000 ] - [ -0.0005383500000000, 0.0007122600000000, 0.0001087000000000 ] - [ -0.0003598100000000, 0.0003217800000000, -0.0006246200000000 ] - [ -0.0003214400000000, 0.0004599500000000, -0.0002882200000000 ] - [ -0.0001323900000000, -0.0004073700000000, 0.0000309200000000 ] - [ -0.0009769300000000, -0.0008558900000000, -0.0005601500000000 ] - [ -0.0009639800000000, -0.0011224300000000, -0.0000139800000000 ] - [ 0.0009600800000000, -0.0004561900000000, -0.0002522400000000 ] - [ 0.0001576300000000, 0.0021644300000000, -0.0007678800000000 ] - [ 0.0004166300000000, -0.0005316800000000, 0.0000847700000000 ] - [ 0.0001490800000000, -0.0003304000000000, -0.0006269600000000 ] - [ 0.0004520500000000, -0.0005780000000000, -0.0002125400000000 ] - [ 0.0011730700000000, 0.0009806700000000, 0.0007967700000000 ] - [ 0.0002333800000000, 0.0004274000000000, 0.0005835800000000 ] - [ 0.0004291400000000, 0.0007261300000000, -0.0002656900000000 ] - [ 0.0005741400000000, 0.0008096100000000, -0.0001987000000000 ] - [ -0.0136107200000000, 0.0000000000000000, 0.1774461500000000 ] - [ 0.0006034500000000, 0.0000000000000000, 0.0015053300000000 ] - [ 0.0007098800000000, 0.0000000000000000, -0.0009906200000000 ] - [ 0.0006666400000000, 0.0000000000000000, 0.0000101300000000 ] - [ 0.0005731600000000, 0.0000000000000000, 0.0010411400000000 ] - [ 0.0014882300000000, 0.0000000000000000, 0.0010412600000000 ] - [ 0.0005749900000000, 0.0000000000000000, -0.0017888500000000 ] - [ 0.0005253200000000, 0.0000000000000000, -0.0017885700000000 ] - [ -0.0007489500000000, 0.0000000000000000, -0.0010153100000000 ] - [ -0.0006019700000000, 0.0000000000000000, 0.0006039000000000 ] - [ -0.0007744400000000, 0.0000000000000000, -0.0010158000000000 ] - [ -0.0005767700000000, 0.0000000000000000, 0.0006018700000000 ] - [ -0.0003872300000000, 0.0000000000000000, -0.0007777800000000 ] - [ -0.0010061800000000, 0.0000000000000000, -0.0000791400000000 ] - [ -0.0007558100000000, 0.0000000000000000, -0.0013960400000000 ] - [ -0.0003518400000000, 0.0000000000000000, -0.0016253100000000 ] - [ 0.0004425100000000, 0.0000000000000000, 0.0007878400000000 ] - [ -0.0122261900000000, 0.0000000000000000, -0.0044808500000000 ] - [ -0.0000904600000000, 0.0000000000000000, 0.0002615200000000 ] - [ -0.0001189600000000, 0.0000000000000000, -0.0005022900000000 ] - [ -0.0004370900000000, 0.0000000000000000, 0.0002754300000000 ] - [ 0.0007202100000000, 0.0000000000000000, -0.0000492000000000 ] - [ -0.0001841900000000, 0.0000000000000000, -0.0009711600000000 ] - [ -0.0003007000000000, 0.0000000000000000, -0.0007985000000000 ] - [ -0.0020406700000000, 0.0000000000000000, 0.0018248400000000 ] - [ 0.0000648500000000, 0.0000000000000000, 0.0006784600000000 ] - [ 0.0004221300000000, 0.0000000000000000, -0.0000317200000000 ] - [ -0.0000836000000000, 0.0000000000000000, 0.0003597900000000 ] - [ 0.0014442000000000, 0.0000000000000000, -0.0016410400000000 ] - [ -0.0003441500000000, 0.0000000000000000, -0.0005220100000000 ] - [ -0.0034818000000000, 0.0000000000000000, -0.0006008200000000 ] - [ 0.0009910100000000, 0.0000000000000000, -0.0008151700000000 ] - [ 0.0002472100000000, 0.0010181800000000, 0.0006742700000000 ] - [ -0.0007976900000000, -0.0003523300000000, 0.0001033400000000 ] - [ -0.0008891600000000, -0.0004027700000000, 0.0007718700000000 ] - [ -0.0005083300000000, -0.0003021900000000, 0.0002786400000000 ] - [ -0.0014301200000000, 0.0000000000000000, -0.0013478300000000 ] - [ 0.0015304700000000, 0.0000000000000000, -0.0013038800000000 ] - [ 0.0003801900000000, 0.0000000000000000, -0.0002454500000000 ] - [ 0.0000855200000000, 0.0000000000000000, -0.0003408700000000 ] - [ -0.0002551200000000, 0.0000000000000000, -0.0007665400000000 ] - [ -0.0002587600000000, 0.0000000000000000, 0.0006080800000000 ] - [ -0.0001028200000000, 0.0000000000000000, 0.0016070300000000 ] - [ -0.0002013600000000, 0.0000000000000000, 0.0010602600000000 ] - [ 0.0001871900000000, 0.0000000000000000, -0.0012325700000000 ] - [ -0.0008242300000000, 0.0000000000000000, -0.0011867500000000 ] - [ -0.0003704000000000, 0.0000000000000000, -0.0004964200000000 ] - [ 0.0000007200000000, 0.0000000000000000, -0.0005198600000000 ] - [ 0.0006912700000000, -0.0000142600000000, -0.0006085700000000 ] - [ -0.0012315300000000, -0.0012728800000000, -0.0029329700000000 ] - [ 0.0005190900000000, 0.0003584500000000, 0.0001623300000000 ] - [ 0.0005430000000000, 0.0002507200000000, 0.0003738100000000 ] - [ 0.0014039200000000, 0.0003617400000000, -0.0025839100000000 ] - [ 0.0004096800000000, -0.0001245300000000, -0.0002184300000000 ] - [ 0.0006583300000000, -0.0001916200000000, 0.0006601200000000 ] - [ 0.0007081700000000, -0.0003240300000000, 0.0003855000000000 ] - [ -0.0014530300000000, 0.0001463500000000, 0.0005059700000000 ] - [ -0.0004071800000000, -0.0001326600000000, -0.0001643400000000 ] - [ -0.0002607700000000, -0.0003297500000000, 0.0003394100000000 ] - [ -0.0008149900000000, -0.0004655900000000, 0.0000730500000000 ] - [ 0.0002472100000000, -0.0010181800000000, 0.0006742700000000 ] - [ -0.0007976900000000, 0.0003523300000000, 0.0001033400000000 ] - [ -0.0008891600000000, 0.0004027700000000, 0.0007718700000000 ] - [ -0.0005083300000000, 0.0003021900000000, 0.0002786400000000 ] - [ 0.0006912700000000, 0.0000142600000000, -0.0006085700000000 ] - [ -0.0012315300000000, 0.0012728800000000, -0.0029329700000000 ] - [ 0.0005190900000000, -0.0003584500000000, 0.0001623300000000 ] - [ 0.0005430000000000, -0.0002507200000000, 0.0003738100000000 ] - [ -0.0014530300000000, -0.0001463500000000, 0.0005059700000000 ] - [ -0.0004071800000000, 0.0001326600000000, -0.0001643400000000 ] - [ -0.0002607700000000, 0.0003297500000000, 0.0003394100000000 ] - [ -0.0008149900000000, 0.0004655900000000, 0.0000730500000000 ] - [ 0.0014039200000000, -0.0003617400000000, -0.0025839100000000 ] - [ 0.0004096800000000, 0.0001245300000000, -0.0002184300000000 ] - [ 0.0006583300000000, 0.0001916200000000, 0.0006601200000000 ] - [ 0.0007081700000000, 0.0003240300000000, 0.0003855000000000 ] - [ 0.0001484300000000, 0.0000000000000000, 0.0026773900000000 ] - [ 0.0000977300000000, 0.0000000000000000, 0.0008963300000000 ] - [ 0.0010980300000000, 0.0000000000000000, -0.0055316800000000 ] - [ 0.0002638900000000, 0.0000000000000000, 0.0008033300000000 ] - [ 0.0141426700000000, 0.0000000000000000, -0.1530177200000000 ] - [ 0.0007568700000000, 0.0000000000000000, -0.0010997800000000 ] - [ 0.0009697800000000, 0.0000000000000000, 0.0009653000000000 ] - [ 0.0008085900000000, 0.0000000000000000, 0.0001531700000000 ] - [ 0.0028954800000000, 0.0000000000000000, -0.0016581400000000 ] - [ -0.0012542700000000, 0.0000000000000000, -0.0003107400000000 ] - [ -0.0003185800000000, 0.0000000000000000, 0.0013177500000000 ] - [ 0.0015380100000000, 0.0000000000000000, 0.0012595600000000 ] - [ -0.0007322300000000, 0.0000000000000000, 0.0010756200000000 ] - [ -0.0008260200000000, 0.0000000000000000, -0.0003314900000000 ] - [ 0.0022616500000000, 0.0000000000000000, 0.0002561400000000 ] - [ -0.0008758800000000, 0.0000000000000000, -0.0003041000000000 ] - [ -0.0013510700000000, 0.0000000000000000, 0.0006537900000000 ] - [ -0.0005212500000000, 0.0000000000000000, -0.0000240900000000 ] - [ -0.0008014100000000, 0.0000000000000000, 0.0010032200000000 ] - [ -0.0009225500000000, 0.0000000000000000, 0.0011494300000000 ]- atom: 49 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0006629100000000, 0.0007962000000000, -0.0001961300000000 ] - [ 0.0012872600000000, -0.0014086200000000, 0.0000525700000000 ] - [ 0.0003599100000000, -0.0003705100000000, 0.0002254500000000 ] - [ 0.0004732500000000, -0.0006280200000000, 0.0000694300000000 ] - [ 0.0007652500000000, 0.0007348300000000, -0.0000027300000000 ] - [ -0.0000191200000000, 0.0008915800000000, 0.0000481000000000 ] - [ 0.0007920800000000, 0.0007492300000000, -0.0000213100000000 ] - [ -0.0003333200000000, -0.0000653600000000, -0.0002771700000000 ] - [ -0.0000511500000000, 0.0006267500000000, 0.0017713900000000 ] - [ -0.0000699800000000, 0.0004139400000000, 0.0000533300000000 ] - [ -0.0011954000000000, 0.0013146600000000, -0.0000748300000000 ] - [ -0.0000154000000000, 0.0001966000000000, 0.0002815300000000 ] - [ 0.0004876200000000, -0.0003809300000000, -0.0003036800000000 ] - [ 0.0050789400000000, 0.0093008100000000, -0.0029518500000000 ] - [ -0.0002456200000000, -0.0005292000000000, -0.0000884700000000 ] - [ -0.0006257500000000, -0.0007745100000000, 0.0000612900000000 ] - [ 0.0004876200000000, 0.0003809300000000, -0.0003036800000000 ] - [ 0.0050789400000000, -0.0093008100000000, -0.0029518500000000 ] - [ -0.0002456200000000, 0.0005292000000000, -0.0000884700000000 ] - [ -0.0006257500000000, 0.0007745100000000, 0.0000612900000000 ] - [ -0.0000511500000000, -0.0006267500000000, 0.0017713900000000 ] - [ -0.0000699800000000, -0.0004139400000000, 0.0000533300000000 ] - [ -0.0011954000000000, -0.0013146600000000, -0.0000748300000000 ] - [ -0.0000154000000000, -0.0001966000000000, 0.0002815300000000 ] - [ 0.0007652500000000, -0.0007348300000000, -0.0000027300000000 ] - [ -0.0000191200000000, -0.0008915800000000, 0.0000481000000000 ] - [ 0.0007920800000000, -0.0007492300000000, -0.0000213100000000 ] - [ -0.0003333200000000, 0.0000653600000000, -0.0002771700000000 ] - [ 0.0006629100000000, -0.0007962000000000, -0.0001961300000000 ] - [ 0.0012872600000000, 0.0014086200000000, 0.0000525700000000 ] - [ 0.0003599100000000, 0.0003705100000000, 0.0002254500000000 ] - [ 0.0004732500000000, 0.0006280200000000, 0.0000694300000000 ] - [ 0.0009447400000000, 0.0000000000000000, 0.0002818700000000 ] - [ -0.0056477300000000, 0.0000000000000000, 0.0129223200000000 ] - [ 0.0008455500000000, 0.0000000000000000, 0.0008132000000000 ] - [ 0.0003567600000000, 0.0000000000000000, 0.0008447600000000 ] - [ 0.0009538300000000, 0.0000000000000000, -0.0042066900000000 ] - [ 0.0012263900000000, 0.0000000000000000, 0.0002697300000000 ] - [ 0.0007881000000000, 0.0000000000000000, 0.0007226200000000 ] - [ 0.0006692200000000, 0.0000000000000000, -0.0010668900000000 ] - [ -0.0002663000000000, 0.0000000000000000, 0.0007875300000000 ] - [ -0.0013509900000000, 0.0000000000000000, -0.0013228600000000 ] - [ -0.0005112000000000, 0.0000000000000000, 0.0006398600000000 ] - [ -0.0006888000000000, 0.0000000000000000, 0.0011472400000000 ] - [ -0.0006483200000000, 0.0000000000000000, -0.0002906600000000 ] - [ -0.0003103800000000, 0.0000000000000000, -0.0014434700000000 ] - [ -0.0007366200000000, 0.0000000000000000, -0.0005374300000000 ] - [ -0.0005369100000000, 0.0000000000000000, -0.0004200800000000 ] - [ -0.1467277600000000, 0.0000000000000000, -0.0554785700000000 ] - [ 0.0013266100000000, 0.0000000000000000, 0.0008461800000000 ] - [ -0.0004112200000000, 0.0000000000000000, 0.0005446100000000 ] - [ 0.0005614400000000, 0.0000000000000000, 0.0007139100000000 ] - [ 0.0011714700000000, 0.0000000000000000, -0.0001529100000000 ] - [ -0.0018830200000000, 0.0000000000000000, -0.0012329100000000 ] - [ 0.0002260800000000, 0.0000000000000000, -0.0004197600000000 ] - [ -0.0004918600000000, 0.0000000000000000, -0.0005731200000000 ] - [ 0.0004538600000000, 0.0000000000000000, 0.0001778700000000 ] - [ -0.0003034200000000, 0.0000000000000000, 0.0008504400000000 ] - [ 0.0004558000000000, 0.0000000000000000, 0.0004830800000000 ] - [ -0.0003058300000000, 0.0000000000000000, 0.0004147000000000 ] - [ 0.0008666700000000, 0.0000000000000000, -0.0001631500000000 ] - [ 0.0008612600000000, 0.0000000000000000, -0.0013977400000000 ] - [ 0.0005662600000000, 0.0000000000000000, -0.0009047100000000 ] - [ 0.0005695600000000, 0.0000000000000000, -0.0002331600000000 ] - [ -0.0010949800000000, -0.0004690000000000, 0.0001873700000000 ] - [ 0.0025644900000000, -0.0014559300000000, 0.0000516100000000 ] - [ -0.0008050000000000, -0.0002848500000000, 0.0000764200000000 ] - [ -0.0003177300000000, -0.0003054300000000, 0.0000162400000000 ] - [ 0.0013615100000000, 0.0000000000000000, -0.0008949100000000 ] - [ -0.0014770400000000, 0.0000000000000000, -0.0005309400000000 ] - [ 0.0001729900000000, 0.0000000000000000, -0.0009647100000000 ] - [ 0.0001503200000000, 0.0000000000000000, -0.0009481000000000 ] - [ -0.0008565700000000, 0.0000000000000000, 0.0009041200000000 ] - [ 0.0001610100000000, 0.0000000000000000, 0.0004718300000000 ] - [ -0.0003356700000000, 0.0000000000000000, 0.0007651500000000 ] - [ -0.0000744600000000, 0.0000000000000000, 0.0008196300000000 ] - [ 0.0001413900000000, 0.0000000000000000, -0.0005325600000000 ] - [ -0.0004644300000000, 0.0000000000000000, -0.0010548000000000 ] - [ 0.0001441000000000, 0.0000000000000000, -0.0011218100000000 ] - [ -0.0004441200000000, 0.0000000000000000, -0.0006343100000000 ] - [ 0.0026184300000000, -0.0000717600000000, 0.0018589100000000 ] - [ 0.0001270700000000, 0.0001061300000000, -0.0001540100000000 ] - [ 0.0010310400000000, 0.0001317200000000, -0.0003909600000000 ] - [ 0.0003940200000000, 0.0002890800000000, -0.0000769400000000 ] - [ 0.0002642300000000, -0.0001582700000000, 0.0003331800000000 ] - [ -0.0000581400000000, -0.0009886500000000, -0.0008561000000000 ] - [ 0.0003059200000000, -0.0000965200000000, -0.0000847500000000 ] - [ 0.0007162100000000, -0.0003051200000000, 0.0002684700000000 ] - [ -0.0012556900000000, -0.0007734000000000, -0.0003693200000000 ] - [ -0.0011978900000000, 0.0000840200000000, 0.0006449300000000 ] - [ -0.0006862300000000, -0.0003731600000000, -0.0000792600000000 ] - [ -0.0006173500000000, -0.0002218700000000, -0.0003265100000000 ] - [ -0.0010949800000000, 0.0004690000000000, 0.0001873700000000 ] - [ 0.0025644900000000, 0.0014559300000000, 0.0000516100000000 ] - [ -0.0008050000000000, 0.0002848500000000, 0.0000764200000000 ] - [ -0.0003177300000000, 0.0003054300000000, 0.0000162400000000 ] - [ 0.0026184300000000, 0.0000717600000000, 0.0018589100000000 ] - [ 0.0001270700000000, -0.0001061300000000, -0.0001540100000000 ] - [ 0.0010310400000000, -0.0001317200000000, -0.0003909600000000 ] - [ 0.0003940200000000, -0.0002890800000000, -0.0000769400000000 ] - [ -0.0012556900000000, 0.0007734000000000, -0.0003693200000000 ] - [ -0.0011978900000000, -0.0000840200000000, 0.0006449300000000 ] - [ -0.0006862300000000, 0.0003731600000000, -0.0000792600000000 ] - [ -0.0006173500000000, 0.0002218700000000, -0.0003265100000000 ] - [ 0.0002642300000000, 0.0001582700000000, 0.0003331800000000 ] - [ -0.0000581400000000, 0.0009886500000000, -0.0008561000000000 ] - [ 0.0003059200000000, 0.0000965200000000, -0.0000847500000000 ] - [ 0.0007162100000000, 0.0003051200000000, 0.0002684700000000 ] - [ -0.0003436500000000, 0.0000000000000000, 0.0007834200000000 ] - [ 0.0027803800000000, 0.0000000000000000, -0.0007403800000000 ] - [ -0.0001894800000000, 0.0000000000000000, 0.0008678800000000 ] - [ 0.0007318700000000, 0.0000000000000000, -0.0004064100000000 ] - [ -0.0003749200000000, 0.0000000000000000, -0.0001831300000000 ] - [ 0.1306546500000000, 0.0000000000000000, 0.0486096100000000 ] - [ 0.0004241400000000, 0.0000000000000000, -0.0005610900000000 ] - [ 0.0012388700000000, 0.0000000000000000, -0.0004887500000000 ] - [ 0.0017678600000000, 0.0000000000000000, 0.0026770200000000 ] - [ 0.0002183600000000, 0.0000000000000000, -0.0002735700000000 ] - [ -0.0002187500000000, 0.0000000000000000, -0.0008563500000000 ] - [ -0.0000442500000000, 0.0000000000000000, 0.0007335000000000 ] - [ -0.0013421700000000, 0.0000000000000000, -0.0004498900000000 ] - [ 0.0000265500000000, 0.0000000000000000, 0.0012622600000000 ] - [ -0.0013710500000000, 0.0000000000000000, -0.0003541700000000 ] - [ -0.0008211300000000, 0.0000000000000000, -0.0007381800000000 ] - [ 0.0011376400000000, 0.0000000000000000, 0.0002006200000000 ] - [ -0.0019955900000000, 0.0000000000000000, 0.0010260400000000 ] - [ -0.0004311300000000, 0.0000000000000000, 0.0003347400000000 ] - [ -0.0010302400000000, 0.0000000000000000, 0.0001699800000000 ]- atom: 49 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001830800000000, -0.0019634200000000, 0.0003610500000000 ] - [ -0.0004463400000000, 0.0002459200000000, 0.0001127000000000 ] - [ 0.0004787600000000, -0.0007870300000000, -0.0000576800000000 ] - [ 0.0003666100000000, -0.0005320700000000, 0.0000976700000000 ] - [ 0.0000736900000000, 0.0004231900000000, -0.0001644100000000 ] - [ 0.0008587400000000, 0.0002694500000000, -0.0002155400000000 ] - [ 0.0000474300000000, 0.0004091700000000, -0.0001460800000000 ] - [ 0.0011698800000000, 0.0012196200000000, 0.0001133200000000 ] - [ -0.0007779700000000, 0.0005289800000000, -0.0016046200000000 ] - [ -0.0007708800000000, 0.0007475000000000, 0.0001130400000000 ] - [ 0.0003562700000000, -0.0001602200000000, 0.0002426300000000 ] - [ -0.0008241600000000, 0.0009632600000000, -0.0001138700000000 ] - [ -0.0013310500000000, -0.0007772100000000, 0.0001366600000000 ] - [ -0.0058855600000000, -0.0103632900000000, 0.0027459100000000 ] - [ -0.0005932500000000, -0.0006290600000000, -0.0000779300000000 ] - [ -0.0002159100000000, -0.0003882300000000, -0.0002266500000000 ] - [ -0.0013310500000000, 0.0007772100000000, 0.0001366600000000 ] - [ -0.0058855600000000, 0.0103632900000000, 0.0027459100000000 ] - [ -0.0005932500000000, 0.0006290600000000, -0.0000779300000000 ] - [ -0.0002159100000000, 0.0003882300000000, -0.0002266500000000 ] - [ -0.0007779700000000, -0.0005289800000000, -0.0016046200000000 ] - [ -0.0007708800000000, -0.0007475000000000, 0.0001130400000000 ] - [ 0.0003562700000000, 0.0001602200000000, 0.0002426300000000 ] - [ -0.0008241600000000, -0.0009632600000000, -0.0001138700000000 ] - [ 0.0000736900000000, -0.0004231900000000, -0.0001644100000000 ] - [ 0.0008587400000000, -0.0002694500000000, -0.0002155400000000 ] - [ 0.0000474300000000, -0.0004091700000000, -0.0001460800000000 ] - [ 0.0011698800000000, -0.0012196200000000, 0.0001133200000000 ] - [ 0.0001830800000000, 0.0019634200000000, 0.0003610500000000 ] - [ -0.0004463400000000, -0.0002459200000000, 0.0001127000000000 ] - [ 0.0004787600000000, 0.0007870300000000, -0.0000576800000000 ] - [ 0.0003666100000000, 0.0005320700000000, 0.0000976700000000 ] - [ 0.0002957900000000, 0.0000000000000000, 0.0010403500000000 ] - [ 0.0067681600000000, 0.0000000000000000, -0.0115071300000000 ] - [ 0.0003950300000000, 0.0000000000000000, 0.0005090600000000 ] - [ 0.0008836500000000, 0.0000000000000000, 0.0004855100000000 ] - [ 0.0002878400000000, 0.0000000000000000, 0.0028889900000000 ] - [ 0.0000154800000000, 0.0000000000000000, -0.0015904600000000 ] - [ 0.0004534600000000, 0.0000000000000000, -0.0020414000000000 ] - [ 0.0005715200000000, 0.0000000000000000, -0.0002550800000000 ] - [ -0.0009744800000000, 0.0000000000000000, 0.0005349100000000 ] - [ 0.0001041800000000, 0.0000000000000000, 0.0026393500000000 ] - [ -0.0007302600000000, 0.0000000000000000, 0.0006833000000000 ] - [ -0.0005523800000000, 0.0000000000000000, 0.0001767000000000 ] - [ -0.0005871700000000, 0.0000000000000000, -0.0010362800000000 ] - [ -0.0009314300000000, 0.0000000000000000, 0.0001227700000000 ] - [ -0.0005039300000000, 0.0000000000000000, -0.0007828800000000 ] - [ -0.0007050400000000, 0.0000000000000000, -0.0008996000000000 ] - [ 0.1422611700000000, 0.0000000000000000, 0.0538956800000000 ] - [ -0.0011477800000000, 0.0000000000000000, 0.0002021100000000 ] - [ 0.0005952800000000, 0.0000000000000000, 0.0005080000000000 ] - [ -0.0003825800000000, 0.0000000000000000, 0.0003346100000000 ] - [ -0.0013558000000000, 0.0000000000000000, -0.0008983600000000 ] - [ 0.0017076400000000, 0.0000000000000000, 0.0001819900000000 ] - [ -0.0004084400000000, 0.0000000000000000, -0.0006299200000000 ] - [ 0.0003145100000000, 0.0000000000000000, -0.0004729100000000 ] - [ -0.0006333300000000, 0.0000000000000000, 0.0008712000000000 ] - [ 0.0001239700000000, 0.0000000000000000, 0.0001986600000000 ] - [ -0.0006333400000000, 0.0000000000000000, 0.0005651500000000 ] - [ 0.0001212100000000, 0.0000000000000000, 0.0006361900000000 ] - [ -0.0006825300000000, 0.0000000000000000, -0.0008929600000000 ] - [ -0.0006896200000000, 0.0000000000000000, 0.0003507100000000 ] - [ -0.0003906000000000, 0.0000000000000000, -0.0001424400000000 ] - [ -0.0003898200000000, 0.0000000000000000, -0.0008151400000000 ] - [ -0.0001186000000000, -0.0000811500000000, 0.0000666000000000 ] - [ -0.0037806500000000, 0.0008811200000000, 0.0001944400000000 ] - [ -0.0004088600000000, -0.0002653900000000, 0.0001761900000000 ] - [ -0.0008961400000000, -0.0002449900000000, 0.0002356500000000 ] - [ -0.0012125900000000, 0.0000000000000000, -0.0007711200000000 ] - [ 0.0018489700000000, 0.0000000000000000, -0.0011387000000000 ] - [ 0.0002024400000000, 0.0000000000000000, -0.0007085800000000 ] - [ 0.0002258200000000, 0.0000000000000000, -0.0007248400000000 ] - [ 0.0004807800000000, 0.0000000000000000, 0.0007683300000000 ] - [ -0.0005357300000000, 0.0000000000000000, 0.0012003800000000 ] - [ -0.0000402600000000, 0.0000000000000000, 0.0009068200000000 ] - [ -0.0003012200000000, 0.0000000000000000, 0.0008511200000000 ] - [ -0.0005174800000000, 0.0000000000000000, -0.0011383700000000 ] - [ 0.0000881800000000, 0.0000000000000000, -0.0006178200000000 ] - [ -0.0005210100000000, 0.0000000000000000, -0.0005511600000000 ] - [ 0.0000687300000000, 0.0000000000000000, -0.0010382300000000 ] - [ -0.0014132800000000, 0.0006158400000000, -0.0020925100000000 ] - [ 0.0010869900000000, 0.0004447400000000, -0.0000991100000000 ] - [ 0.0001822900000000, 0.0004183000000000, 0.0001367400000000 ] - [ 0.0008199600000000, 0.0002614400000000, -0.0001764100000000 ] - [ 0.0009500200000000, -0.0003934500000000, -0.0000803800000000 ] - [ 0.0012705400000000, 0.0004360600000000, 0.0011063700000000 ] - [ 0.0009071500000000, -0.0004539700000000, 0.0003375000000000 ] - [ 0.0004988700000000, -0.0002454200000000, -0.0000162800000000 ] - [ 0.0000423700000000, 0.0002256100000000, 0.0001190400000000 ] - [ -0.0000171300000000, -0.0006334800000000, -0.0008953700000000 ] - [ -0.0005273400000000, -0.0001766500000000, -0.0001746900000000 ] - [ -0.0005965200000000, -0.0003285100000000, 0.0000729300000000 ] - [ -0.0001186000000000, 0.0000811500000000, 0.0000666000000000 ] - [ -0.0037806500000000, -0.0008811200000000, 0.0001944400000000 ] - [ -0.0004088600000000, 0.0002653900000000, 0.0001761900000000 ] - [ -0.0008961400000000, 0.0002449900000000, 0.0002356500000000 ] - [ -0.0014132800000000, -0.0006158400000000, -0.0020925100000000 ] - [ 0.0010869900000000, -0.0004447400000000, -0.0000991100000000 ] - [ 0.0001822900000000, -0.0004183000000000, 0.0001367400000000 ] - [ 0.0008199600000000, -0.0002614400000000, -0.0001764100000000 ] - [ 0.0000423700000000, -0.0002256100000000, 0.0001190400000000 ] - [ -0.0000171300000000, 0.0006334800000000, -0.0008953700000000 ] - [ -0.0005273400000000, 0.0001766500000000, -0.0001746900000000 ] - [ -0.0005965200000000, 0.0003285100000000, 0.0000729300000000 ] - [ 0.0009500200000000, 0.0003934500000000, -0.0000803800000000 ] - [ 0.0012705400000000, -0.0004360600000000, 0.0011063700000000 ] - [ 0.0009071500000000, 0.0004539700000000, 0.0003375000000000 ] - [ 0.0004988700000000, 0.0002454200000000, -0.0000162800000000 ] - [ 0.0007198100000000, 0.0000000000000000, 0.0008896100000000 ] - [ -0.0023979600000000, 0.0000000000000000, 0.0023619600000000 ] - [ 0.0005655300000000, 0.0000000000000000, 0.0008040200000000 ] - [ -0.0003573000000000, 0.0000000000000000, 0.0020735900000000 ] - [ 0.0019919500000000, 0.0000000000000000, -0.0005774200000000 ] - [ -0.1240871200000000, 0.0000000000000000, -0.0467436000000000 ] - [ 0.0011923700000000, 0.0000000000000000, -0.0001980700000000 ] - [ 0.0003780600000000, 0.0000000000000000, -0.0002757700000000 ] - [ -0.0001510200000000, 0.0000000000000000, -0.0019227500000000 ] - [ 0.0013995000000000, 0.0000000000000000, 0.0010322300000000 ] - [ 0.0018263900000000, 0.0000000000000000, 0.0016223700000000 ] - [ 0.0016657200000000, 0.0000000000000000, 0.0000250200000000 ] - [ -0.0002739400000000, 0.0000000000000000, -0.0003090200000000 ] - [ -0.0016366100000000, 0.0000000000000000, -0.0020170700000000 ] - [ -0.0002436800000000, 0.0000000000000000, -0.0004062800000000 ] - [ -0.0007974200000000, 0.0000000000000000, -0.0000229700000000 ] - [ -0.0027648200000000, 0.0000000000000000, 0.0005668400000000 ] - [ 0.0003779100000000, 0.0000000000000000, -0.0002658100000000 ] - [ -0.0011865900000000, 0.0000000000000000, 0.0004227800000000 ] - [ -0.0005857600000000, 0.0000000000000000, 0.0005880200000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0005208100000000, 0.0004023700000000, 0.0001254400000000 ] - [ 0.0002754800000000, -0.0003856000000000, 0.0000965400000000 ] - [ 0.0004182900000000, -0.0005668500000000, 0.0000911100000000 ] - [ 0.0004210200000000, -0.0005834500000000, 0.0000835000000000 ] - [ 0.0004195700000000, 0.0005805200000000, -0.0000814600000000 ] - [ 0.0005811000000000, 0.0007596400000000, 0.0000579800000000 ] - [ 0.0004213500000000, 0.0005827700000000, -0.0000834700000000 ] - [ 0.0005939500000000, 0.0008337600000000, -0.0002607200000000 ] - [ 0.0002876900000000, 0.0000205200000000, 0.0009370200000000 ] - [ -0.0004254100000000, 0.0005894500000000, 0.0000803400000000 ] - [ -0.0003195900000000, 0.0004710200000000, 0.0000046500000000 ] - [ -0.0004226700000000, 0.0005814100000000, 0.0000831000000000 ] - [ -0.0004491700000000, -0.0006239800000000, -0.0000674500000000 ] - [ 0.0041733500000000, -0.0042738800000000, 0.0036497000000000 ] - [ -0.0004225400000000, -0.0005843900000000, -0.0000799400000000 ] - [ -0.0004239900000000, -0.0005919000000000, -0.0000814000000000 ] - [ -0.0004014500000000, 0.0005501300000000, -0.0000938800000000 ] - [ -0.0049955300000000, -0.0030563300000000, -0.0037935800000000 ] - [ -0.0004191900000000, 0.0005795800000000, -0.0000839800000000 ] - [ -0.0004204400000000, 0.0005757000000000, -0.0000817600000000 ] - [ -0.0011319700000000, -0.0011437500000000, -0.0007783800000000 ] - [ -0.0004245400000000, -0.0005882600000000, 0.0000798100000000 ] - [ -0.0005186800000000, -0.0006892600000000, 0.0001606200000000 ] - [ -0.0004223800000000, -0.0005864800000000, 0.0000794800000000 ] - [ 0.0004197100000000, -0.0005794200000000, -0.0000833800000000 ] - [ 0.0002629400000000, -0.0004022200000000, -0.0002216300000000 ] - [ 0.0004196300000000, -0.0005785900000000, -0.0000814800000000 ] - [ 0.0002586100000000, -0.0003441700000000, 0.0000992100000000 ] - [ 0.0003224600000000, 0.0015751200000000, 0.0000388600000000 ] - [ 0.0005678700000000, 0.0007806700000000, 0.0000659300000000 ] - [ 0.0004213200000000, 0.0005943800000000, 0.0000733800000000 ] - [ 0.0004256500000000, 0.0005872500000000, 0.0000779100000000 ] - [ 0.0006184900000000, -0.0000032500000000, 0.0006672900000000 ] - [ 0.0006268300000000, -0.0007775100000000, 0.0006318000000000 ] - [ 0.0006183400000000, -0.0000009200000000, 0.0006707600000000 ] - [ 0.0006198700000000, -0.0000138800000000, 0.0006669000000000 ] - [ 0.0006190600000000, -0.0002391100000000, -0.0006663800000000 ] - [ 0.0006180200000000, -0.0000274000000000, -0.0006688600000000 ] - [ 0.0006184300000000, -0.0001158400000000, -0.0006748800000000 ] - [ 0.0006197600000000, -0.0000029300000000, -0.0006620400000000 ] - [ -0.0006197600000000, 0.0000160300000000, 0.0006702600000000 ] - [ -0.0006165900000000, 0.0000857400000000, 0.0006661800000000 ] - [ -0.0006190100000000, 0.0000012600000000, 0.0006717800000000 ] - [ -0.0006187300000000, 0.0000155200000000, 0.0006685800000000 ] - [ -0.0006204900000000, 0.0004684800000000, -0.0006676200000000 ] - [ -0.0006194500000000, -0.0000148200000000, -0.0006659200000000 ] - [ -0.0006185700000000, 0.0000084600000000, -0.0006734900000000 ] - [ -0.0006191800000000, 0.0000002700000000, -0.0006676700000000 ] - [ 0.0003014900000000, -0.0181279500000000, 0.0006677100000000 ] - [ 0.0000949000000000, -0.0000054000000000, 0.0005284100000000 ] - [ 0.0000952700000000, -0.0000117700000000, 0.0005277400000000 ] - [ 0.0000917700000000, -0.0000001600000000, 0.0005262700000000 ] - [ -0.0000983800000000, 0.0000040400000000, -0.0005293500000000 ] - [ -0.0000935800000000, 0.0008542100000000, -0.0005264000000000 ] - [ -0.0000961400000000, 0.0000002700000000, -0.0005290700000000 ] - [ -0.0000901800000000, 0.0000169800000000, -0.0005264400000000 ] - [ -0.0000920900000000, 0.0000236800000000, 0.0005278200000000 ] - [ -0.0000915500000000, 0.0000150100000000, 0.0005266200000000 ] - [ -0.0000939200000000, 0.0000233500000000, 0.0005273100000000 ] - [ -0.0000982700000000, 0.0000148200000000, 0.0005298900000000 ] - [ 0.0000886200000000, -0.0000317200000000, -0.0005261400000000 ] - [ 0.0000979600000000, -0.0000314100000000, -0.0005285000000000 ] - [ 0.0000910800000000, -0.0000021500000000, -0.0005259300000000 ] - [ 0.0000922900000000, -0.0000018800000000, -0.0005282100000000 ] - [ -0.0006081000000000, -0.0002743500000000, 0.0001276400000000 ] - [ -0.0012296500000000, 0.0005490200000000, -0.0001336500000000 ] - [ -0.0006071100000000, -0.0002714700000000, 0.0001285500000000 ] - [ -0.0006041700000000, -0.0002743800000000, 0.0001383600000000 ] - [ 0.0002008200000000, 0.0004123500000000, -0.0008396400000000 ] - [ 0.0001913900000000, 0.0001693200000000, -0.0008399200000000 ] - [ 0.0001887700000000, 0.0000104300000000, -0.0008382900000000 ] - [ 0.0001892400000000, 0.0000004400000000, -0.0008390500000000 ] - [ -0.0001868600000000, -0.0000338800000000, 0.0008387400000000 ] - [ -0.0001898300000000, -0.0000904900000000, 0.0008397100000000 ] - [ -0.0001884100000000, -0.0000011300000000, 0.0008391000000000 ] - [ -0.0001897900000000, -0.0000122100000000, 0.0008399800000000 ] - [ -0.0001901200000000, -0.0001487800000000, -0.0008398200000000 ] - [ -0.0001887600000000, -0.0000043500000000, -0.0008394200000000 ] - [ -0.0001889000000000, -0.0000891500000000, -0.0008382400000000 ] - [ -0.0001887800000000, -0.0000013000000000, -0.0008404100000000 ] - [ 0.0003332000000000, 0.0004018500000000, 0.0005549400000000 ] - [ 0.0006144400000000, 0.0002761200000000, -0.0001237100000000 ] - [ 0.0006232000000000, 0.0002700700000000, -0.0001720500000000 ] - [ 0.0006075300000000, 0.0002709100000000, -0.0001278500000000 ] - [ 0.0006392600000000, -0.0002537500000000, 0.0001040100000000 ] - [ 0.0005806900000000, -0.0003086000000000, -0.0000118400000000 ] - [ 0.0006268900000000, -0.0002659800000000, 0.0001389800000000 ] - [ 0.0005919100000000, -0.0002597500000000, 0.0001351800000000 ] - [ -0.0007609600000000, -0.0003487700000000, -0.0001954600000000 ] - [ -0.0006077300000000, -0.0003205000000000, -0.0001769400000000 ] - [ -0.0006167400000000, -0.0002781500000000, -0.0001242500000000 ] - [ -0.0006042300000000, -0.0002728700000000, -0.0001259700000000 ] - [ -0.0006044900000000, 0.0002670100000000, 0.0001291300000000 ] - [ 0.0000370100000000, 0.0012094500000000, 0.0003458100000000 ] - [ -0.0006065300000000, 0.0002706100000000, 0.0001282700000000 ] - [ -0.0006106500000000, 0.0002678300000000, 0.0001182100000000 ] - [ 0.0008702500000000, -0.0001201500000000, -0.0007959500000000 ] - [ 0.0006018000000000, -0.0002667700000000, -0.0001325300000000 ] - [ 0.0005897300000000, -0.0002723800000000, -0.0000832400000000 ] - [ 0.0006070600000000, -0.0002712500000000, -0.0001278500000000 ] - [ -0.0004500300000000, 0.0001928000000000, -0.0000596400000000 ] - [ -0.0006051200000000, 0.0002235300000000, -0.0000829100000000 ] - [ -0.0005971900000000, 0.0002638200000000, -0.0001316500000000 ] - [ -0.0006099400000000, 0.0002696400000000, -0.0001294300000000 ] - [ 0.0005760100000000, 0.0002884300000000, 0.0001513800000000 ] - [ 0.0006372000000000, 0.0002300600000000, 0.0002721300000000 ] - [ 0.0005885100000000, 0.0002763800000000, 0.0001177100000000 ] - [ 0.0006217700000000, 0.0002819500000000, 0.0001216300000000 ] - [ 0.0001899600000000, 0.0000010500000000, 0.0008390600000000 ] - [ 0.0001831400000000, 0.0006338300000000, 0.0008434000000000 ] - [ 0.0001893600000000, 0.0000007500000000, 0.0008392300000000 ] - [ 0.0001882100000000, 0.0000355000000000, 0.0008432200000000 ] - [ 0.0008071300000000, 0.0000524200000000, -0.0003845800000000 ] - [ 0.0005439700000000, 0.0213457600000000, -0.0004865400000000 ] - [ 0.0008039100000000, 0.0000030800000000, -0.0003850300000000 ] - [ 0.0008041800000000, 0.0000083800000000, -0.0003835700000000 ] - [ 0.0008017300000000, 0.0001144200000000, 0.0003834800000000 ] - [ 0.0008051400000000, -0.0000003700000000, 0.0003863300000000 ] - [ 0.0008065700000000, 0.0014910100000000, 0.0003873100000000 ] - [ 0.0008064000000000, -0.0000066700000000, 0.0003835900000000 ] - [ -0.0008020600000000, 0.0000003000000000, -0.0003857000000000 ] - [ -0.0008070600000000, -0.0004488800000000, -0.0003863700000000 ] - [ -0.0008019700000000, 0.0000056300000000, -0.0003853700000000 ] - [ -0.0008043000000000, -0.0002806000000000, -0.0003852700000000 ] - [ -0.0008057500000000, -0.0013435300000000, 0.0003831500000000 ] - [ -0.0008023800000000, -0.0001779000000000, 0.0003832300000000 ] - [ -0.0008034300000000, -0.0000171300000000, 0.0003855500000000 ] - [ -0.0008048800000000, -0.0000044400000000, 0.0003845600000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0004349700000000, -0.0005502900000000, -0.0002211500000000 ] - [ 0.0007278100000000, -0.0009035300000000, -0.0000048500000000 ] - [ 0.0003909400000000, -0.0004111800000000, 0.0002515000000000 ] - [ 0.0003921800000000, -0.0005415200000000, 0.0001508900000000 ] - [ 0.0005085100000000, 0.0006625700000000, -0.0000480500000000 ] - [ 0.0004454100000000, 0.0009166700000000, 0.0001324700000000 ] - [ 0.0005720400000000, 0.0006232800000000, -0.0000581900000000 ] - [ -0.0000224300000000, -0.0000876200000000, -0.0000180700000000 ] - [ 0.0005418800000000, 0.0005476100000000, 0.0013534500000000 ] - [ -0.0003897500000000, 0.0006445700000000, 0.0000055400000000 ] - [ -0.0006249800000000, 0.0005322200000000, 0.0002795400000000 ] - [ -0.0002461200000000, 0.0004005300000000, 0.0001869200000000 ] - [ -0.0001854000000000, -0.0004837700000000, -0.0002639100000000 ] - [ -0.0003525500000000, 0.0054530900000000, -0.0046307400000000 ] - [ -0.0003855900000000, -0.0006248400000000, 0.0000232100000000 ] - [ -0.0005883400000000, -0.0008319900000000, 0.0000967300000000 ] - [ -0.0001854000000000, 0.0004837700000000, -0.0002639100000000 ] - [ -0.0003525500000000, -0.0054530900000000, -0.0046307400000000 ] - [ -0.0003855900000000, 0.0006248400000000, 0.0000232100000000 ] - [ -0.0005883400000000, 0.0008319900000000, 0.0000967300000000 ] - [ 0.0005418800000000, -0.0005476100000000, 0.0013534500000000 ] - [ -0.0003897500000000, -0.0006445700000000, 0.0000055400000000 ] - [ -0.0006249800000000, -0.0005322200000000, 0.0002795400000000 ] - [ -0.0002461200000000, -0.0004005300000000, 0.0001869200000000 ] - [ 0.0005085100000000, -0.0006625700000000, -0.0000480500000000 ] - [ 0.0004454100000000, -0.0009166700000000, 0.0001324700000000 ] - [ 0.0005720400000000, -0.0006232800000000, -0.0000581900000000 ] - [ -0.0000224300000000, 0.0000876200000000, -0.0000180700000000 ] - [ 0.0004349700000000, 0.0005502900000000, -0.0002211500000000 ] - [ 0.0007278100000000, 0.0009035300000000, -0.0000048500000000 ] - [ 0.0003909400000000, 0.0004111800000000, 0.0002515000000000 ] - [ 0.0003921800000000, 0.0005415200000000, 0.0001508900000000 ] - [ 0.0006859100000000, 0.0000000000000000, 0.0003801400000000 ] - [ 0.0065985200000000, 0.0000000000000000, 0.0056592900000000 ] - [ 0.0007267400000000, 0.0000000000000000, 0.0009005900000000 ] - [ 0.0003912900000000, 0.0000000000000000, 0.0016677500000000 ] - [ 0.0002361700000000, 0.0000000000000000, -0.0005698700000000 ] - [ 0.0008757900000000, 0.0000000000000000, -0.0003485800000000 ] - [ 0.0007896300000000, 0.0000000000000000, 0.0004740500000000 ] - [ 0.0006319000000000, 0.0000000000000000, -0.0006402700000000 ] - [ -0.0005059800000000, 0.0000000000000000, 0.0004863600000000 ] - [ -0.0010807900000000, 0.0000000000000000, -0.0006588000000000 ] - [ -0.0005908100000000, 0.0000000000000000, 0.0008034300000000 ] - [ -0.0006016400000000, 0.0000000000000000, 0.0011967000000000 ] - [ -0.0003654300000000, 0.0000000000000000, -0.0014423700000000 ] - [ -0.0005249300000000, 0.0000000000000000, -0.0011182800000000 ] - [ -0.0006975500000000, 0.0000000000000000, -0.0001921900000000 ] - [ -0.0005967000000000, 0.0000000000000000, -0.0003695700000000 ] - [ -0.0549879400000000, 0.0000000000000000, -0.0424486500000000 ] - [ 0.0004250600000000, 0.0000000000000000, 0.0005350100000000 ] - [ 0.0001197600000000, 0.0000000000000000, 0.0007618400000000 ] - [ 0.0002965600000000, 0.0000000000000000, 0.0006715000000000 ] - [ 0.0002709000000000, 0.0000000000000000, -0.0004597200000000 ] - [ -0.0008054300000000, 0.0000000000000000, -0.0010549100000000 ] - [ 0.0000024700000000, 0.0000000000000000, -0.0004517300000000 ] - [ -0.0001585500000000, 0.0000000000000000, -0.0004022200000000 ] - [ -0.0000655900000000, 0.0000000000000000, 0.0004834300000000 ] - [ 0.0000063500000000, 0.0000000000000000, 0.0005943800000000 ] - [ 0.0002398000000000, 0.0000000000000000, 0.0004840800000000 ] - [ -0.0004301600000000, 0.0000000000000000, 0.0005949800000000 ] - [ 0.0009765100000000, 0.0000000000000000, -0.0007635600000000 ] - [ -0.0002560000000000, 0.0000000000000000, -0.0007649300000000 ] - [ -0.0001855900000000, 0.0000000000000000, -0.0003525700000000 ] - [ 0.0004887600000000, 0.0000000000000000, -0.0003526300000000 ] - [ -0.0007617300000000, -0.0003260700000000, 0.0002252400000000 ] - [ -0.0000166800000000, -0.0009357500000000, 0.0010930600000000 ] - [ -0.0006586900000000, -0.0002816500000000, 0.0000437500000000 ] - [ -0.0005296100000000, -0.0002970700000000, -0.0000896700000000 ] - [ -0.0007832600000000, 0.0000000000000000, -0.0002156200000000 ] - [ -0.0003761300000000, 0.0000000000000000, -0.0006511900000000 ] - [ 0.0001351400000000, 0.0000000000000000, -0.0011822200000000 ] - [ 0.0001962500000000, 0.0000000000000000, -0.0009859000000000 ] - [ -0.0003042000000000, 0.0000000000000000, 0.0009266300000000 ] - [ -0.0001759100000000, 0.0000000000000000, 0.0008093500000000 ] - [ -0.0002656900000000, 0.0000000000000000, 0.0007347900000000 ] - [ -0.0001374600000000, 0.0000000000000000, 0.0006688400000000 ] - [ -0.0000076800000000, 0.0000000000000000, -0.0008616800000000 ] - [ -0.0003002400000000, 0.0000000000000000, -0.0009121200000000 ] - [ -0.0001425100000000, 0.0000000000000000, -0.0009605300000000 ] - [ -0.0002367700000000, 0.0000000000000000, -0.0007688400000000 ] - [ 0.0014611100000000, 0.0007693900000000, 0.0007299700000000 ] - [ 0.0004482300000000, 0.0002435100000000, -0.0000987500000000 ] - [ 0.0007984800000000, 0.0001332000000000, -0.0004339400000000 ] - [ 0.0005543900000000, 0.0002661400000000, -0.0001550100000000 ] - [ 0.0006468600000000, -0.0003252800000000, 0.0002232600000000 ] - [ 0.0001537300000000, -0.0007220900000000, -0.0001377900000000 ] - [ 0.0003605000000000, -0.0001413700000000, -0.0000497100000000 ] - [ 0.0007324200000000, -0.0002761200000000, 0.0000837300000000 ] - [ -0.0009252200000000, -0.0005737500000000, 0.0000348800000000 ] - [ -0.0007740200000000, -0.0001487100000000, 0.0002971700000000 ] - [ -0.0005939400000000, -0.0002162300000000, -0.0002452200000000 ] - [ -0.0006402100000000, -0.0002666100000000, -0.0003005900000000 ] - [ -0.0007617300000000, 0.0003260700000000, 0.0002252400000000 ] - [ -0.0000166800000000, 0.0009357500000000, 0.0010930600000000 ] - [ -0.0006586900000000, 0.0002816500000000, 0.0000437500000000 ] - [ -0.0005296100000000, 0.0002970700000000, -0.0000896700000000 ] - [ 0.0014611100000000, -0.0007693900000000, 0.0007299700000000 ] - [ 0.0004482300000000, -0.0002435100000000, -0.0000987500000000 ] - [ 0.0007984800000000, -0.0001332000000000, -0.0004339400000000 ] - [ 0.0005543900000000, -0.0002661400000000, -0.0001550100000000 ] - [ -0.0009252200000000, 0.0005737500000000, 0.0000348800000000 ] - [ -0.0007740200000000, 0.0001487100000000, 0.0002971700000000 ] - [ -0.0005939400000000, 0.0002162300000000, -0.0002452200000000 ] - [ -0.0006402100000000, 0.0002666100000000, -0.0003005900000000 ] - [ 0.0006468600000000, 0.0003252800000000, 0.0002232600000000 ] - [ 0.0001537300000000, 0.0007220900000000, -0.0001377900000000 ] - [ 0.0003605000000000, 0.0001413700000000, -0.0000497100000000 ] - [ 0.0007324200000000, 0.0002761200000000, 0.0000837300000000 ] - [ -0.0000601700000000, 0.0000000000000000, 0.0008712600000000 ] - [ 0.0002993600000000, 0.0000000000000000, 0.0015888600000000 ] - [ 0.0001327000000000, 0.0000000000000000, 0.0007977000000000 ] - [ 0.0003584100000000, 0.0000000000000000, 0.0000247000000000 ] - [ 0.0004840600000000, 0.0000000000000000, -0.0001873100000000 ] - [ 0.0487877400000000, 0.0000000000000000, 0.0398738200000000 ] - [ 0.0006962200000000, 0.0000000000000000, -0.0006136600000000 ] - [ 0.0009674700000000, 0.0000000000000000, -0.0009330800000000 ] - [ 0.0012266200000000, 0.0000000000000000, 0.0001199300000000 ] - [ 0.0004804400000000, 0.0000000000000000, 0.0002256000000000 ] - [ -0.0003443100000000, 0.0000000000000000, -0.0002699200000000 ] - [ 0.0008107200000000, 0.0000000000000000, 0.0003229500000000 ] - [ -0.0010750400000000, 0.0000000000000000, -0.0002287600000000 ] - [ -0.0000456800000000, 0.0000000000000000, 0.0006656100000000 ] - [ -0.0009136800000000, 0.0000000000000000, -0.0005111500000000 ] - [ -0.0010930800000000, 0.0000000000000000, -0.0007557400000000 ] - [ -0.0004263500000000, 0.0000000000000000, 0.0012191000000000 ] - [ -0.0012657600000000, 0.0000000000000000, 0.0007792200000000 ] - [ -0.0006476000000000, 0.0000000000000000, 0.0000472700000000 ] - [ -0.0008309500000000, 0.0000000000000000, 0.0001481300000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0004179300000000, -0.0006296600000000, 0.0003828700000000 ] - [ 0.0001218500000000, -0.0002768000000000, 0.0001651800000000 ] - [ 0.0004656700000000, -0.0007786100000000, -0.0000936300000000 ] - [ 0.0004612300000000, -0.0006425600000000, 0.0000088100000000 ] - [ 0.0003477300000000, 0.0005261900000000, -0.0001108900000000 ] - [ 0.0004080500000000, 0.0002670600000000, -0.0002935500000000 ] - [ 0.0002827200000000, 0.0005657400000000, -0.0001000200000000 ] - [ 0.0008800300000000, 0.0012801900000000, -0.0001404500000000 ] - [ -0.0014041900000000, 0.0006372000000000, -0.0012058400000000 ] - [ -0.0004660300000000, 0.0005418700000000, 0.0001541500000000 ] - [ -0.0002303300000000, 0.0006571400000000, -0.0001222800000000 ] - [ -0.0006109800000000, 0.0007895200000000, -0.0000292300000000 ] - [ -0.0006698900000000, -0.0007031000000000, 0.0001064000000000 ] - [ -0.0005367600000000, -0.0066450500000000, 0.0044755900000000 ] - [ -0.0004711400000000, -0.0005637900000000, -0.0001821700000000 ] - [ -0.0002651700000000, -0.0003529800000000, -0.0002564900000000 ] - [ -0.0006698900000000, 0.0007031000000000, 0.0001064000000000 ] - [ -0.0005367600000000, 0.0066450500000000, 0.0044755900000000 ] - [ -0.0004711400000000, 0.0005637900000000, -0.0001821700000000 ] - [ -0.0002651700000000, 0.0003529800000000, -0.0002564900000000 ] - [ -0.0014041900000000, -0.0006372000000000, -0.0012058400000000 ] - [ -0.0004660300000000, -0.0005418700000000, 0.0001541500000000 ] - [ -0.0002303300000000, -0.0006571400000000, -0.0001222800000000 ] - [ -0.0006109800000000, -0.0007895200000000, -0.0000292300000000 ] - [ 0.0003477300000000, -0.0005261900000000, -0.0001108900000000 ] - [ 0.0004080500000000, -0.0002670600000000, -0.0002935500000000 ] - [ 0.0002827200000000, -0.0005657400000000, -0.0001000200000000 ] - [ 0.0008800300000000, -0.0012801900000000, -0.0001404500000000 ] - [ 0.0004179300000000, 0.0006296600000000, 0.0003828700000000 ] - [ 0.0001218500000000, 0.0002768000000000, 0.0001651800000000 ] - [ 0.0004656700000000, 0.0007786100000000, -0.0000936300000000 ] - [ 0.0004612300000000, 0.0006425600000000, 0.0000088100000000 ] - [ 0.0005624200000000, 0.0000000000000000, 0.0008848500000000 ] - [ -0.0052524900000000, 0.0000000000000000, -0.0043569400000000 ] - [ 0.0005213400000000, 0.0000000000000000, 0.0003591500000000 ] - [ 0.0008586300000000, 0.0000000000000000, -0.0004113200000000 ] - [ 0.0010158800000000, 0.0000000000000000, -0.0007004800000000 ] - [ 0.0003711900000000, 0.0000000000000000, -0.0009162200000000 ] - [ 0.0004578200000000, 0.0000000000000000, -0.0017438000000000 ] - [ 0.0006166600000000, 0.0000000000000000, -0.0006218900000000 ] - [ -0.0007425500000000, 0.0000000000000000, 0.0007772500000000 ] - [ -0.0001651200000000, 0.0000000000000000, 0.0019306200000000 ] - [ -0.0006580300000000, 0.0000000000000000, 0.0004570900000000 ] - [ -0.0006466100000000, 0.0000000000000000, 0.0000677200000000 ] - [ -0.0008833200000000, 0.0000000000000000, 0.0001789700000000 ] - [ -0.0007240200000000, 0.0000000000000000, -0.0001453100000000 ] - [ -0.0005502500000000, 0.0000000000000000, -0.0010709300000000 ] - [ -0.0006517500000000, 0.0000000000000000, -0.0008984900000000 ] - [ 0.0543394700000000, 0.0000000000000000, 0.0435938400000000 ] - [ -0.0002268900000000, 0.0000000000000000, 0.0005214800000000 ] - [ 0.0000793700000000, 0.0000000000000000, 0.0002929100000000 ] - [ -0.0000950400000000, 0.0000000000000000, 0.0003855300000000 ] - [ -0.0004700800000000, 0.0000000000000000, -0.0005959800000000 ] - [ 0.0006131700000000, 0.0000000000000000, 0.0000025800000000 ] - [ -0.0002012400000000, 0.0000000000000000, -0.0006036800000000 ] - [ -0.0000446300000000, 0.0000000000000000, -0.0006558700000000 ] - [ -0.0001364200000000, 0.0000000000000000, 0.0005736800000000 ] - [ -0.0002072700000000, 0.0000000000000000, 0.0004621000000000 ] - [ -0.0004435700000000, 0.0000000000000000, 0.0005744100000000 ] - [ 0.0002311700000000, 0.0000000000000000, 0.0004625300000000 ] - [ -0.0007803100000000, 0.0000000000000000, -0.0002917200000000 ] - [ 0.0004614800000000, 0.0000000000000000, -0.0002907400000000 ] - [ 0.0003884000000000, 0.0000000000000000, -0.0007070600000000 ] - [ -0.0002848600000000, 0.0000000000000000, -0.0007061600000000 ] - [ -0.0004509400000000, -0.0002276200000000, 0.0000274200000000 ] - [ -0.0012012700000000, 0.0003691600000000, -0.0008507400000000 ] - [ -0.0005549800000000, -0.0002720500000000, 0.0002105100000000 ] - [ -0.0006844100000000, -0.0002567100000000, 0.0003446800000000 ] - [ 0.0011764900000000, 0.0000000000000000, -0.0014627700000000 ] - [ 0.0007567700000000, 0.0000000000000000, -0.0010238600000000 ] - [ 0.0002415600000000, 0.0000000000000000, -0.0004881600000000 ] - [ 0.0001796700000000, 0.0000000000000000, -0.0006867800000000 ] - [ -0.0000717000000000, 0.0000000000000000, 0.0007463000000000 ] - [ -0.0002004900000000, 0.0000000000000000, 0.0008646400000000 ] - [ -0.0001098600000000, 0.0000000000000000, 0.0009392000000000 ] - [ -0.0002392400000000, 0.0000000000000000, 0.0010054100000000 ] - [ -0.0003690700000000, 0.0000000000000000, -0.0008105700000000 ] - [ -0.0000756900000000, 0.0000000000000000, -0.0007604600000000 ] - [ -0.0002335600000000, 0.0000000000000000, -0.0007122100000000 ] - [ -0.0001390000000000, 0.0000000000000000, -0.0009054400000000 ] - [ -0.0002531100000000, -0.0002508700000000, -0.0009411000000000 ] - [ 0.0007666200000000, 0.0003109100000000, -0.0001539900000000 ] - [ 0.0004146500000000, 0.0004214200000000, 0.0001823000000000 ] - [ 0.0006597600000000, 0.0002878300000000, -0.0000982000000000 ] - [ 0.0005667200000000, -0.0002277600000000, 0.0000298300000000 ] - [ 0.0010614100000000, 0.0001672400000000, 0.0003942100000000 ] - [ 0.0008552100000000, -0.0004131800000000, 0.0003041300000000 ] - [ 0.0004809500000000, -0.0002778700000000, 0.0001701100000000 ] - [ -0.0002874800000000, 0.0000214200000000, -0.0002898800000000 ] - [ -0.0004389700000000, -0.0004059800000000, -0.0005539600000000 ] - [ -0.0006199500000000, -0.0003380700000000, -0.0000071400000000 ] - [ -0.0005738900000000, -0.0002869100000000, 0.0000482100000000 ] - [ -0.0004509400000000, 0.0002276200000000, 0.0000274200000000 ] - [ -0.0012012700000000, -0.0003691600000000, -0.0008507400000000 ] - [ -0.0005549800000000, 0.0002720500000000, 0.0002105100000000 ] - [ -0.0006844100000000, 0.0002567100000000, 0.0003446800000000 ] - [ -0.0002531100000000, 0.0002508700000000, -0.0009411000000000 ] - [ 0.0007666200000000, -0.0003109100000000, -0.0001539900000000 ] - [ 0.0004146500000000, -0.0004214200000000, 0.0001823000000000 ] - [ 0.0006597600000000, -0.0002878300000000, -0.0000982000000000 ] - [ -0.0002874800000000, -0.0000214200000000, -0.0002898800000000 ] - [ -0.0004389700000000, 0.0004059800000000, -0.0005539600000000 ] - [ -0.0006199500000000, 0.0003380700000000, -0.0000071400000000 ] - [ -0.0005738900000000, 0.0002869100000000, 0.0000482100000000 ] - [ 0.0005667200000000, 0.0002277600000000, 0.0000298300000000 ] - [ 0.0010614100000000, -0.0001672400000000, 0.0003942100000000 ] - [ 0.0008552100000000, 0.0004131800000000, 0.0003041300000000 ] - [ 0.0004809500000000, 0.0002778700000000, 0.0001701100000000 ] - [ 0.0004380800000000, 0.0000000000000000, 0.0008014500000000 ] - [ 0.0001306800000000, 0.0000000000000000, -0.0000343400000000 ] - [ 0.0002431300000000, 0.0000000000000000, 0.0008763500000000 ] - [ 0.0000181300000000, 0.0000000000000000, 0.0016498700000000 ] - [ 0.0011414800000000, 0.0000000000000000, -0.0005655800000000 ] - [ -0.0463968400000000, 0.0000000000000000, -0.0406865400000000 ] - [ 0.0009277400000000, 0.0000000000000000, -0.0001382800000000 ] - [ 0.0006556100000000, 0.0000000000000000, 0.0001835100000000 ] - [ 0.0003979600000000, 0.0000000000000000, 0.0006418300000000 ] - [ 0.0011429700000000, 0.0000000000000000, 0.0005306800000000 ] - [ 0.0019692900000000, 0.0000000000000000, 0.0010239700000000 ] - [ 0.0008109900000000, 0.0000000000000000, 0.0004300700000000 ] - [ -0.0005477300000000, 0.0000000000000000, -0.0005245600000000 ] - [ -0.0015822300000000, 0.0000000000000000, -0.0014260300000000 ] - [ -0.0007099300000000, 0.0000000000000000, -0.0002409900000000 ] - [ -0.0005277000000000, 0.0000000000000000, 0.0000037700000000 ] - [ -0.0011979400000000, 0.0000000000000000, -0.0004719600000000 ] - [ -0.0003548300000000, 0.0000000000000000, -0.0000296900000000 ] - [ -0.0009769900000000, 0.0000000000000000, 0.0007076700000000 ] - [ -0.0007923400000000, 0.0000000000000000, 0.0006057800000000 ]- atom: 65 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0001223400000000, -0.0004145700000000, 0.0000138000000000 ] - [ -0.0004596700000000, -0.0009192200000000, 0.0008308300000000 ] - [ 0.0003065400000000, -0.0004975500000000, 0.0001958800000000 ] - [ 0.0005099700000000, -0.0007464500000000, -0.0000211400000000 ] - [ 0.0005823800000000, 0.0005923900000000, -0.0000203800000000 ] - [ 0.0002929700000000, 0.0005072300000000, -0.0000996900000000 ] - [ 0.0012549300000000, 0.0015878100000000, 0.0002659600000000 ] - [ 0.0001838200000000, 0.0004360500000000, -0.0001466900000000 ] - [ -0.0006840300000000, 0.0006853900000000, 0.0000456400000000 ] - [ 0.0010473500000000, 0.0008994400000000, 0.0012368300000000 ] - [ -0.0005257800000000, 0.0006522100000000, 0.0000545000000000 ] - [ -0.0002964300000000, 0.0005224200000000, 0.0001623800000000 ] - [ -0.0004400200000000, -0.0008896400000000, -0.0000883700000000 ] - [ -0.0006902400000000, -0.0007628400000000, -0.0000165600000000 ] - [ -0.0003925700000000, -0.0005688800000000, -0.0000393500000000 ] - [ -0.0004821800000000, -0.0005967100000000, -0.0000896900000000 ] - [ 0.0045682900000000, 0.0002543800000000, 0.0011064000000000 ] - [ -0.0007410900000000, 0.0008264900000000, 0.0000230500000000 ] - [ -0.0003876900000000, 0.0005518700000000, -0.0000351600000000 ] - [ -0.0004811600000000, 0.0005964800000000, -0.0000900800000000 ] - [ -0.0006817900000000, -0.0006959500000000, 0.0000445600000000 ] - [ 0.0002425400000000, -0.0000333000000000, 0.0002141100000000 ] - [ -0.0005254300000000, -0.0006568700000000, 0.0000551300000000 ] - [ -0.0002827500000000, -0.0005039500000000, 0.0001483100000000 ] - [ 0.0005834800000000, -0.0005552000000000, -0.0000641700000000 ] - [ 0.0002912100000000, -0.0005075400000000, -0.0000975500000000 ] - [ 0.0015714000000000, -0.0011135700000000, 0.0001807200000000 ] - [ 0.0001835100000000, -0.0004381600000000, -0.0001489700000000 ] - [ 0.0002653400000000, 0.0005635500000000, -0.0000027700000000 ] - [ -0.0000703700000000, -0.0004588700000000, 0.0004972600000000 ] - [ 0.0003165300000000, 0.0005073000000000, 0.0001862200000000 ] - [ 0.0005079900000000, 0.0007180600000000, -0.0000034800000000 ] - [ 0.0008853400000000, -0.0000923500000000, -0.0001949200000000 ] - [ 0.0005133400000000, 0.0000035800000000, 0.0008469900000000 ] - [ 0.0007356300000000, -0.0000173500000000, 0.0009422700000000 ] - [ 0.0005058700000000, -0.0000008600000000, 0.0005591800000000 ] - [ 0.0004821100000000, -0.0000181800000000, -0.0008665900000000 ] - [ 0.0007239900000000, 0.0000254300000000, -0.0003138300000000 ] - [ 0.0005547600000000, -0.0000066100000000, -0.0004590700000000 ] - [ 0.0005529800000000, 0.0000821900000000, -0.0015034400000000 ] - [ 0.0031911300000000, -0.0027985500000000, 0.0014374900000000 ] - [ -0.0008626800000000, -0.0000267400000000, 0.0004615100000000 ] - [ -0.0005778100000000, 0.0000031200000000, 0.0007113800000000 ] - [ -0.0006546400000000, 0.0000003500000000, 0.0007596500000000 ] - [ -0.0008385200000000, 0.0000213500000000, -0.0007413300000000 ] - [ 0.0029325200000000, 0.0031188400000000, 0.0011677600000000 ] - [ -0.0006702200000000, 0.0000006600000000, -0.0005738000000000 ] - [ -0.0005766200000000, -0.0000011300000000, -0.0005937300000000 ] - [ -0.0003996500000000, -0.0000017300000000, 0.0003680900000000 ] - [ 0.0032646800000000, -0.0006313100000000, 0.0011179100000000 ] - [ -0.0001111100000000, -0.0000003000000000, 0.0004712800000000 ] - [ 0.0003738800000000, 0.0000032700000000, 0.0005997400000000 ] - [ 0.0019210700000000, -0.0002710300000000, 0.0003318300000000 ] - [ -0.0005675100000000, 0.0000065500000000, -0.0006825600000000 ] - [ 0.0003370800000000, 0.0000169400000000, -0.0003314300000000 ] - [ -0.0002961800000000, 0.0000002500000000, -0.0005744100000000 ] - [ 0.0000235400000000, 0.0000150000000000, 0.0003973100000000 ] - [ -0.0003858900000000, -0.0000189800000000, 0.0007700800000000 ] - [ -0.0007479400000000, 0.0000286200000000, 0.0009758700000000 ] - [ -0.0004291400000000, -0.0000315300000000, 0.0004831600000000 ] - [ -0.0005652300000000, -0.0001563300000000, -0.0002029700000000 ] - [ -0.0005037800000000, -0.0000013800000000, -0.0003554800000000 ] - [ 0.0000059700000000, -0.0000098000000000, -0.0005354500000000 ] - [ 0.0000741200000000, 0.0000028500000000, -0.0004892100000000 ] - [ -0.0198485800000000, -0.0027733300000000, -0.0014272800000000 ] - [ -0.0003777800000000, -0.0002147900000000, 0.0001360800000000 ] - [ -0.0006927000000000, -0.0002809300000000, 0.0001032700000000 ] - [ -0.0005183500000000, -0.0002606600000000, 0.0001064500000000 ] - [ 0.0005753800000000, 0.0000737300000000, -0.0007713700000000 ] - [ 0.0002735800000000, -0.0002995400000000, -0.0010336100000000 ] - [ 0.0002320600000000, 0.0000008000000000, -0.0008805400000000 ] - [ 0.0001735700000000, -0.0000024800000000, -0.0007344900000000 ] - [ 0.0000136000000000, -0.0004725700000000, 0.0016426800000000 ] - [ 0.0002282600000000, 0.0000378500000000, 0.0007951700000000 ] - [ -0.0002106000000000, -0.0000254100000000, 0.0005704000000000 ] - [ -0.0001351900000000, -0.0000002000000000, 0.0008864400000000 ] - [ -0.0000923600000000, -0.0000023700000000, -0.0007911300000000 ] - [ -0.0002888900000000, 0.0000118500000000, -0.0011229200000000 ] - [ 0.0001088200000000, -0.0000021400000000, -0.0008879700000000 ] - [ -0.0005986100000000, 0.0002765300000000, -0.0000905300000000 ] - [ 0.0007730800000000, 0.0003454000000000, -0.0001131000000000 ] - [ 0.0000839100000000, -0.0001382600000000, -0.0007458300000000 ] - [ 0.0007491100000000, 0.0002685500000000, -0.0001561200000000 ] - [ 0.0001780600000000, 0.0004607200000000, -0.0000345900000000 ] - [ 0.0006607800000000, -0.0002052400000000, 0.0002587200000000 ] - [ 0.0007273700000000, -0.0002083900000000, -0.0000152300000000 ] - [ 0.0006608800000000, -0.0003954200000000, -0.0000409300000000 ] - [ 0.0007273500000000, -0.0003566500000000, 0.0002568600000000 ] - [ 0.0005291800000000, -0.0002396200000000, -0.0002472600000000 ] - [ 0.0005157100000000, -0.0002172300000000, 0.0001401600000000 ] - [ -0.0006077300000000, -0.0002779000000000, -0.0001341600000000 ] - [ -0.0006076600000000, -0.0002663300000000, -0.0001634000000000 ] - [ -0.0015091100000000, 0.0003854900000000, 0.0002512500000000 ] - [ -0.0003856100000000, 0.0002149500000000, 0.0001339000000000 ] - [ -0.0006874100000000, 0.0002820400000000, 0.0001015400000000 ] - [ -0.0005188600000000, 0.0002603800000000, 0.0001073500000000 ] - [ 0.0007637300000000, -0.0003399000000000, -0.0001171300000000 ] - [ 0.0002850800000000, 0.0000630500000000, -0.0001801200000000 ] - [ 0.0007485100000000, -0.0002684200000000, -0.0001543100000000 ] - [ 0.0003016500000000, -0.0003912600000000, -0.0001034000000000 ] - [ -0.0003092800000000, 0.0001019800000000, -0.0001004200000000 ] - [ -0.0003090700000000, 0.0003695200000000, -0.0000070800000000 ] - [ -0.0006103000000000, 0.0002763400000000, -0.0001368300000000 ] - [ -0.0006102400000000, 0.0002677600000000, -0.0001617300000000 ] - [ 0.0007475800000000, 0.0001837700000000, 0.0004217700000000 ] - [ 0.0007552400000000, 0.0001727700000000, -0.0000472900000000 ] - [ 0.0007472500000000, 0.0004393700000000, -0.0001102500000000 ] - [ 0.0007554700000000, 0.0003384600000000, 0.0002713200000000 ] - [ -0.0007482400000000, 0.0007714900000000, 0.0002700300000000 ] - [ 0.0004814700000000, 0.0000005700000000, 0.0008887300000000 ] - [ 0.0000630500000000, 0.0000027600000000, 0.0009440000000000 ] - [ 0.0002857000000000, -0.0000004900000000, 0.0007966200000000 ] - [ -0.0021822000000000, 0.0035935500000000, 0.0006780000000000 ] - [ 0.0012696500000000, -0.0000534400000000, -0.0005172700000000 ] - [ 0.0006592600000000, 0.0000046200000000, -0.0006179000000000 ] - [ 0.0009555900000000, 0.0000008100000000, -0.0002769400000000 ] - [ 0.0009342200000000, 0.0000018800000000, 0.0005336800000000 ] - [ 0.0006872900000000, -0.0000094000000000, 0.0001214800000000 ] - [ 0.0013430900000000, -0.0000427200000000, 0.0001746400000000 ] - [ 0.0018832900000000, -0.0018091400000000, 0.0008167500000000 ] - [ -0.0002571900000000, -0.0015972400000000, -0.0040817500000000 ] - [ -0.0004626300000000, -0.0000004200000000, -0.0002522700000000 ] - [ -0.0009585300000000, -0.0000381100000000, -0.0004075600000000 ] - [ -0.0005082300000000, -0.0000069500000000, -0.0004774200000000 ] - [ -0.0004128900000000, -0.0001239600000000, 0.0004995700000000 ] - [ 0.0007738800000000, 0.0033049000000000, -0.0036913400000000 ] - [ -0.0005879400000000, -0.0000087700000000, 0.0003286700000000 ] - [ -0.0011960300000000, 0.0000311400000000, 0.0003151300000000 ]- atom: 65 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0007226500000000, -0.0007549700000000, 0.0001486800000000 ] - [ 0.0013084000000000, -0.0002407400000000, -0.0006739900000000 ] - [ 0.0005337500000000, -0.0006634200000000, -0.0000308400000000 ] - [ 0.0003341600000000, -0.0004202800000000, 0.0001849500000000 ] - [ 0.0002592600000000, 0.0005700800000000, -0.0001438900000000 ] - [ 0.0005501100000000, 0.0006582100000000, -0.0000642400000000 ] - [ -0.0004112500000000, -0.0004219200000000, -0.0004294600000000 ] - [ 0.0006599100000000, 0.0007304100000000, -0.0000172500000000 ] - [ -0.0001591200000000, 0.0004791100000000, 0.0001168800000000 ] - [ -0.0019363000000000, 0.0003000600000000, -0.0011379200000000 ] - [ -0.0003159700000000, 0.0005103300000000, 0.0001080800000000 ] - [ -0.0005463000000000, 0.0006422700000000, -0.0000002700000000 ] - [ -0.0004048600000000, -0.0002775200000000, -0.0000746100000000 ] - [ -0.0001552700000000, -0.0004072800000000, -0.0001444300000000 ] - [ -0.0004482300000000, -0.0005951700000000, -0.0001227100000000 ] - [ -0.0003609000000000, -0.0005687100000000, -0.0000720200000000 ] - [ -0.0052674900000000, 0.0009951500000000, -0.0011735100000000 ] - [ -0.0001039500000000, 0.0003429900000000, -0.0001870900000000 ] - [ -0.0004536000000000, 0.0006125800000000, -0.0001287800000000 ] - [ -0.0003616200000000, 0.0005686900000000, -0.0000739000000000 ] - [ -0.0001617200000000, -0.0004695400000000, 0.0001198900000000 ] - [ -0.0010841300000000, -0.0011331900000000, -0.0000495500000000 ] - [ -0.0003161800000000, -0.0005049400000000, 0.0001104000000000 ] - [ -0.0005598100000000, -0.0006603800000000, 0.0000164400000000 ] - [ 0.0002578300000000, -0.0006069400000000, -0.0000979300000000 ] - [ 0.0005524000000000, -0.0006587200000000, -0.0000635900000000 ] - [ -0.0007184500000000, -0.0000596300000000, -0.0003445000000000 ] - [ 0.0006601800000000, -0.0007280400000000, -0.0000128500000000 ] - [ 0.0005800800000000, 0.0006059900000000, 0.0001635900000000 ] - [ 0.0009161800000000, 0.0016296000000000, -0.0003348300000000 ] - [ 0.0005233500000000, 0.0006541800000000, -0.0000235600000000 ] - [ 0.0003356600000000, 0.0004481700000000, 0.0001645900000000 ] - [ 0.0003527000000000, 0.0000917000000000, 0.0015247500000000 ] - [ 0.0007248800000000, -0.0000038900000000, 0.0004800200000000 ] - [ 0.0005024100000000, 0.0000173600000000, 0.0003925600000000 ] - [ 0.0007324400000000, 0.0000005300000000, 0.0007720100000000 ] - [ 0.0007568700000000, 0.0000182100000000, -0.0004661200000000 ] - [ 0.0005141200000000, -0.0000256000000000, -0.0010180600000000 ] - [ 0.0006834100000000, 0.0000068800000000, -0.0008739700000000 ] - [ 0.0006856900000000, -0.0000819700000000, 0.0001737200000000 ] - [ -0.0043179500000000, 0.0026782000000000, -0.0001315700000000 ] - [ -0.0003756200000000, 0.0000269000000000, 0.0008684500000000 ] - [ -0.0006604400000000, -0.0000030200000000, 0.0006240400000000 ] - [ -0.0005839100000000, -0.0000005100000000, 0.0005698000000000 ] - [ -0.0003995200000000, -0.0000205700000000, -0.0005883500000000 ] - [ -0.0042856000000000, -0.0032524000000000, -0.0025147300000000 ] - [ -0.0005676900000000, -0.0000006500000000, -0.0007653900000000 ] - [ -0.0006614600000000, 0.0000011900000000, -0.0007370100000000 ] - [ 0.0005938500000000, 0.0000017100000000, 0.0006896700000000 ] - [ -0.0030628600000000, 0.0006348900000000, -0.0000566000000000 ] - [ 0.0002997000000000, 0.0000000200000000, 0.0005841600000000 ] - [ -0.0001871400000000, -0.0000030000000000, 0.0004545800000000 ] - [ -0.0021258200000000, 0.0002660900000000, -0.0013913800000000 ] - [ 0.0003754600000000, -0.0000062000000000, -0.0003739200000000 ] - [ -0.0005271300000000, -0.0000164600000000, -0.0007248000000000 ] - [ 0.0001138600000000, -0.0000003100000000, -0.0004781000000000 ] - [ -0.0002089900000000, -0.0000146000000000, 0.0006577600000000 ] - [ 0.0001976000000000, 0.0000194300000000, 0.0002853300000000 ] - [ 0.0005611800000000, -0.0000279500000000, 0.0000787400000000 ] - [ 0.0002393200000000, 0.0000318600000000, 0.0005729600000000 ] - [ 0.0007490000000000, 0.0001544100000000, -0.0008503600000000 ] - [ 0.0006942300000000, 0.0000013200000000, -0.0007002900000000 ] - [ 0.0001801200000000, 0.0000096600000000, -0.0005183100000000 ] - [ 0.0001135600000000, -0.0000026500000000, -0.0005659700000000 ] - [ 0.0185457700000000, 0.0024200900000000, 0.0016988600000000 ] - [ -0.0008361000000000, -0.0003288900000000, 0.0001186900000000 ] - [ -0.0005211300000000, -0.0002624800000000, 0.0001512700000000 ] - [ -0.0006950500000000, -0.0002827000000000, 0.0001475300000000 ] - [ -0.0001995800000000, -0.0000737900000000, -0.0009045400000000 ] - [ 0.0001017000000000, 0.0003029900000000, -0.0006421500000000 ] - [ 0.0001445500000000, -0.0000010600000000, -0.0007962000000000 ] - [ 0.0002038200000000, 0.0000022300000000, -0.0009429700000000 ] - [ -0.0003881800000000, 0.0004688000000000, 0.0000383900000000 ] - [ -0.0006055100000000, -0.0000379800000000, 0.0008820200000000 ] - [ -0.0001665600000000, 0.0000259700000000, 0.0011068200000000 ] - [ -0.0002427000000000, 0.0000005000000000, 0.0007910200000000 ] - [ -0.0002856200000000, 0.0000020700000000, -0.0008850900000000 ] - [ -0.0000880900000000, -0.0000124400000000, -0.0005555600000000 ] - [ -0.0004858800000000, 0.0000018000000000, -0.0007894200000000 ] - [ 0.0002232700000000, -0.0002777000000000, -0.0015878800000000 ] - [ 0.0004403900000000, 0.0001980700000000, -0.0001417100000000 ] - [ 0.0011335300000000, 0.0006810200000000, 0.0004876200000000 ] - [ 0.0004646900000000, 0.0002749100000000, -0.0000986800000000 ] - [ 0.0010358700000000, 0.0000823100000000, -0.0002199100000000 ] - [ 0.0005524000000000, -0.0003386000000000, -0.0000045200000000 ] - [ 0.0004863500000000, -0.0003353600000000, 0.0002701500000000 ] - [ 0.0005526400000000, -0.0001474100000000, 0.0002951100000000 ] - [ 0.0004861900000000, -0.0001866100000000, -0.0000023900000000 ] - [ -0.0017293800000000, -0.0003051900000000, -0.0000097000000000 ] - [ -0.0017428300000000, -0.0003281600000000, -0.0003983700000000 ] - [ -0.0006060100000000, -0.0002653500000000, -0.0001209000000000 ] - [ -0.0006060900000000, -0.0002770100000000, -0.0000918200000000 ] - [ 0.0002948300000000, 0.0001613500000000, 0.0000048600000000 ] - [ -0.0008282400000000, 0.0003286200000000, 0.0001211400000000 ] - [ -0.0005264000000000, 0.0002614000000000, 0.0001532400000000 ] - [ -0.0006944700000000, 0.0002829800000000, 0.0001469200000000 ] - [ 0.0004497700000000, -0.0002035200000000, -0.0001380900000000 ] - [ 0.0009288900000000, -0.0006061600000000, -0.0000757800000000 ] - [ 0.0004651700000000, -0.0002749900000000, -0.0001008900000000 ] - [ 0.0009117700000000, -0.0001520100000000, -0.0001512500000000 ] - [ -0.0009044800000000, 0.0004415900000000, -0.0001540000000000 ] - [ -0.0009042600000000, 0.0001745100000000, -0.0002472000000000 ] - [ -0.0006034700000000, 0.0002669600000000, -0.0001177100000000 ] - [ -0.0006035200000000, 0.0002756600000000, -0.0000929500000000 ] - [ 0.0004661200000000, 0.0003603500000000, -0.0001671500000000 ] - [ 0.0004579500000000, 0.0003714600000000, 0.0003030500000000 ] - [ 0.0004658600000000, 0.0001030100000000, 0.0003643900000000 ] - [ 0.0004580800000000, 0.0002049300000000, -0.0000165500000000 ] - [ 0.0011193200000000, -0.0007784100000000, 0.0014123300000000 ] - [ -0.0001041500000000, -0.0000001800000000, 0.0007891100000000 ] - [ 0.0003137600000000, -0.0000024900000000, 0.0007327600000000 ] - [ 0.0000918000000000, 0.0000007700000000, 0.0008811200000000 ] - [ 0.0037850900000000, -0.0035862400000000, -0.0014450300000000 ] - [ 0.0003410400000000, 0.0000542100000000, -0.0002535100000000 ] - [ 0.0009522900000000, -0.0000047500000000, -0.0001528000000000 ] - [ 0.0006561300000000, -0.0000006700000000, -0.0004937800000000 ] - [ 0.0006764100000000, -0.0000022200000000, 0.0002357800000000 ] - [ 0.0009239400000000, 0.0000092200000000, 0.0006487400000000 ] - [ 0.0002705500000000, 0.0000427400000000, 0.0005951000000000 ] - [ -0.0002794100000000, 0.0018108900000000, -0.0000500700000000 ] - [ -0.0013529400000000, 0.0015816600000000, 0.0032900200000000 ] - [ -0.0011489500000000, 0.0000002200000000, -0.0005183700000000 ] - [ -0.0006521300000000, 0.0000379200000000, -0.0003626200000000 ] - [ -0.0011036300000000, 0.0000074600000000, -0.0002923500000000 ] - [ -0.0011998300000000, 0.0001237000000000, 0.0002724500000000 ] - [ -0.0023918600000000, -0.0033447900000000, 0.0044797900000000 ] - [ -0.0010231400000000, 0.0000087300000000, 0.0004424600000000 ] - [ -0.0004154300000000, -0.0000309700000000, 0.0004558300000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0002498300000000, -0.0002839700000000, 0.0001383500000000 ] - [ -0.0000602800000000, 0.0007501500000000, 0.0003569400000000 ] - [ 0.0004675800000000, -0.0005826900000000, 0.0000166400000000 ] - [ 0.0003923600000000, -0.0004825200000000, 0.0001140900000000 ] - [ 0.0005103300000000, 0.0004676300000000, -0.0000384200000000 ] - [ 0.0003677300000000, 0.0005339200000000, -0.0000891300000000 ] - [ 0.0002613900000000, -0.0002316000000000, -0.0003957100000000 ] - [ 0.0003915800000000, 0.0004901900000000, -0.0001020600000000 ] - [ -0.0004717900000000, 0.0007281100000000, 0.0000638100000000 ] - [ -0.0007010200000000, 0.0007274900000000, -0.0004546900000000 ] - [ -0.0004929400000000, 0.0006722000000000, 0.0000446700000000 ] - [ -0.0003558000000000, 0.0006332000000000, 0.0000625900000000 ] - [ -0.0011449200000000, -0.0019467100000000, 0.0002763500000000 ] - [ -0.0005400600000000, -0.0007528000000000, -0.0000934900000000 ] - [ -0.0004288400000000, -0.0006332100000000, -0.0001137000000000 ] - [ -0.0004197700000000, -0.0006147000000000, -0.0000669900000000 ] - [ 0.0002339000000000, 0.0022045800000000, 0.0005847600000000 ] - [ -0.0004930200000000, 0.0007071100000000, -0.0001124100000000 ] - [ -0.0004337900000000, 0.0006419400000000, -0.0001173500000000 ] - [ -0.0004191400000000, 0.0006130200000000, -0.0000683600000000 ] - [ -0.0004730000000000, -0.0007286000000000, 0.0000675100000000 ] - [ -0.0006317800000000, -0.0013169200000000, -0.0000190700000000 ] - [ -0.0004930200000000, -0.0006760400000000, 0.0000454700000000 ] - [ -0.0003672400000000, -0.0006499000000000, 0.0000756100000000 ] - [ 0.0004890800000000, -0.0004253300000000, -0.0000720700000000 ] - [ 0.0003676500000000, -0.0005328100000000, -0.0000894100000000 ] - [ 0.0002282900000000, 0.0011389100000000, -0.0006735800000000 ] - [ 0.0003896600000000, -0.0004868200000000, -0.0001001300000000 ] - [ 0.0003666300000000, 0.0004224900000000, 0.0001098600000000 ] - [ -0.0001340000000000, -0.0005834900000000, 0.0003782000000000 ] - [ 0.0004601700000000, 0.0005773700000000, 0.0000211800000000 ] - [ 0.0003944000000000, 0.0005006300000000, 0.0000976400000000 ] - [ 0.0006990400000000, -0.0000827200000000, -0.0006223000000000 ] - [ 0.0005817300000000, -0.0000019900000000, 0.0007435100000000 ] - [ 0.0005542600000000, 0.0000054000000000, 0.0008042800000000 ] - [ 0.0006421700000000, -0.0000008700000000, 0.0006974400000000 ] - [ 0.0004870300000000, -0.0000144800000000, -0.0008636700000000 ] - [ 0.0007742100000000, -0.0000212200000000, -0.0007239100000000 ] - [ 0.0006559600000000, 0.0000030300000000, -0.0005327000000000 ] - [ 0.0006843300000000, -0.0000921000000000, -0.0002483700000000 ] - [ -0.0034221000000000, 0.0032908500000000, 0.0000298700000000 ] - [ -0.0007276600000000, 0.0000087500000000, 0.0005164900000000 ] - [ -0.0006194600000000, 0.0000021600000000, 0.0005940900000000 ] - [ -0.0006201900000000, -0.0000001400000000, 0.0007165200000000 ] - [ -0.0005732900000000, 0.0000067100000000, -0.0003806000000000 ] - [ 0.0023170300000000, 0.0033007400000000, 0.0008739800000000 ] - [ -0.0006186400000000, -0.0000006500000000, -0.0007601200000000 ] - [ -0.0006186500000000, 0.0000016000000000, -0.0006438000000000 ] - [ -0.0000878600000000, -0.0000032900000000, 0.0004829700000000 ] - [ -0.0010761600000000, 0.0009409900000000, -0.0001003100000000 ] - [ 0.0000912600000000, -0.0000003300000000, 0.0005250200000000 ] - [ 0.0000688800000000, -0.0000028800000000, 0.0005081100000000 ] - [ -0.0004535800000000, 0.0001297100000000, -0.0000159800000000 ] - [ -0.0002728900000000, 0.0000050400000000, -0.0005645900000000 ] - [ -0.0002478900000000, -0.0000007600000000, -0.0006760400000000 ] - [ -0.0000825900000000, -0.0000000400000000, -0.0005385600000000 ] - [ -0.0000652200000000, 0.0000113500000000, 0.0005284900000000 ] - [ -0.0002819300000000, 0.0000055300000000, 0.0006670100000000 ] - [ 0.0006129400000000, -0.0000389900000000, 0.0000844000000000 ] - [ -0.0002227400000000, 0.0000175800000000, 0.0004827300000000 ] - [ -0.0004040300000000, -0.0000777200000000, -0.0002298900000000 ] - [ 0.0004606300000000, -0.0000481600000000, -0.0006588300000000 ] - [ -0.0000008500000000, -0.0000071000000000, -0.0005889800000000 ] - [ 0.0001565700000000, -0.0000014000000000, -0.0005408300000000 ] - [ -0.0032008900000000, -0.0199000300000000, -0.0017819200000000 ] - [ -0.0005502300000000, -0.0002753400000000, 0.0001207900000000 ] - [ -0.0006166400000000, -0.0002949400000000, 0.0001501800000000 ] - [ -0.0005960400000000, -0.0002977500000000, 0.0001331200000000 ] - [ 0.0005680000000000, 0.0000711900000000, -0.0008990100000000 ] - [ -0.0003837800000000, 0.0001640200000000, -0.0006397500000000 ] - [ 0.0001864900000000, -0.0000008500000000, -0.0008109900000000 ] - [ 0.0001738200000000, 0.0000018400000000, -0.0009011400000000 ] - [ -0.0008355600000000, 0.0000833000000000, 0.0003549300000000 ] - [ 0.0000439900000000, -0.0000122700000000, 0.0007968500000000 ] - [ -0.0001845700000000, 0.0000126200000000, 0.0010300400000000 ] - [ -0.0001921400000000, -0.0000004900000000, 0.0008499100000000 ] - [ -0.0001512000000000, -0.0000021600000000, -0.0008070900000000 ] - [ -0.0001952900000000, -0.0000177600000000, -0.0011621400000000 ] - [ -0.0003074700000000, -0.0000033100000000, -0.0008681000000000 ] - [ 0.0002099500000000, 0.0001535500000000, -0.0000584000000000 ] - [ 0.0006809700000000, 0.0002802500000000, -0.0001273200000000 ] - [ 0.0001979500000000, -0.0003524400000000, 0.0004628600000000 ] - [ 0.0006041100000000, 0.0002347500000000, -0.0001326600000000 ] - [ 0.0007964500000000, 0.0001080700000000, -0.0001748800000000 ] - [ 0.0007312900000000, -0.0000842100000000, 0.0002711900000000 ] - [ 0.0006922300000000, -0.0001846400000000, 0.0000240200000000 ] - [ 0.0005407100000000, -0.0000838900000000, 0.0001792200000000 ] - [ 0.0005438100000000, -0.0001846000000000, 0.0001086100000000 ] - [ -0.0005529100000000, -0.0007236300000000, -0.0003654100000000 ] - [ -0.0005734400000000, -0.0007232500000000, 0.0000728100000000 ] - [ -0.0006017300000000, -0.0003016200000000, -0.0000815900000000 ] - [ -0.0006137000000000, -0.0003018200000000, -0.0001428100000000 ] - [ -0.0007197500000000, 0.0026099800000000, -0.0000711900000000 ] - [ -0.0005504100000000, 0.0002714400000000, 0.0001215400000000 ] - [ -0.0006177100000000, 0.0002950000000000, 0.0001478500000000 ] - [ -0.0005957100000000, 0.0002972800000000, 0.0001329700000000 ] - [ 0.0006755700000000, -0.0002758600000000, -0.0001311000000000 ] - [ 0.0002724200000000, 0.0003883300000000, -0.0000075400000000 ] - [ 0.0006039700000000, -0.0002349600000000, -0.0001313300000000 ] - [ 0.0007266000000000, -0.0001418500000000, -0.0001191500000000 ] - [ -0.0007046100000000, 0.0006116700000000, -0.0003151100000000 ] - [ -0.0004375700000000, 0.0006114400000000, 0.0000970200000000 ] - [ -0.0006031000000000, 0.0003011200000000, -0.0000849900000000 ] - [ -0.0006121300000000, 0.0003013300000000, -0.0001426400000000 ] - [ 0.0007754100000000, 0.0000599700000000, 0.0003968500000000 ] - [ 0.0006739000000000, 0.0001937700000000, 0.0000415100000000 ] - [ 0.0005185600000000, 0.0000592700000000, 0.0001659100000000 ] - [ 0.0005079600000000, 0.0001937500000000, 0.0000872500000000 ] - [ 0.0008527600000000, 0.0023171700000000, -0.0014242100000000 ] - [ 0.0001564600000000, 0.0000014200000000, 0.0008595600000000 ] - [ 0.0001236900000000, 0.0000027300000000, 0.0010687200000000 ] - [ 0.0002187900000000, 0.0000001000000000, 0.0008201300000000 ] - [ 0.0043269700000000, 0.0028088800000000, 0.0025948300000000 ] - [ 0.0009482200000000, 0.0000364200000000, -0.0004500600000000 ] - [ 0.0008363200000000, -0.0000024600000000, -0.0003802500000000 ] - [ 0.0008148300000000, 0.0000003200000000, -0.0004131100000000 ] - [ 0.0009176800000000, 0.0000010400000000, 0.0005196600000000 ] - [ 0.0007509200000000, 0.0000063900000000, 0.0004283600000000 ] - [ 0.0011534800000000, -0.0000298000000000, 0.0002283500000000 ] - [ 0.0002080200000000, 0.0016273100000000, 0.0000749200000000 ] - [ -0.0019790700000000, 0.0008786800000000, 0.0035191000000000 ] - [ -0.0007104900000000, 0.0000003500000000, -0.0002896400000000 ] - [ -0.0007813100000000, -0.0000346700000000, -0.0003652200000000 ] - [ -0.0006394200000000, 0.0000006300000000, -0.0004364400000000 ] - [ -0.0006516600000000, -0.0000927800000000, 0.0001099900000000 ] - [ 0.0026844500000000, 0.0013686300000000, -0.0025353000000000 ] - [ -0.0008422500000000, 0.0000059800000000, 0.0004557700000000 ] - [ -0.0006165200000000, -0.0000180400000000, 0.0004131500000000 ]- atom: 65 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0006007200000000, -0.0008941400000000, 0.0000237400000000 ] - [ 0.0009131900000000, -0.0019368100000000, -0.0001955200000000 ] - [ 0.0003796600000000, -0.0005887000000000, 0.0001471900000000 ] - [ 0.0004596200000000, -0.0006975300000000, 0.0000469300000000 ] - [ 0.0003392500000000, 0.0007066000000000, -0.0001247500000000 ] - [ 0.0004833200000000, 0.0006443300000000, -0.0000728800000000 ] - [ 0.0005862700000000, 0.0014083400000000, 0.0002358700000000 ] - [ 0.0004585400000000, 0.0006868400000000, -0.0000604500000000 ] - [ -0.0003784400000000, 0.0004483500000000, 0.0000966600000000 ] - [ -0.0001678600000000, 0.0004566600000000, 0.0005949400000000 ] - [ -0.0003572200000000, 0.0005041600000000, 0.0001156700000000 ] - [ -0.0004953600000000, 0.0005456600000000, 0.0000969000000000 ] - [ 0.0002928500000000, 0.0007688200000000, -0.0004381200000000 ] - [ -0.0003117300000000, -0.0004264100000000, -0.0000662300000000 ] - [ -0.0004208900000000, -0.0005433400000000, -0.0000466800000000 ] - [ -0.0004322400000000, -0.0005650300000000, -0.0000923700000000 ] - [ -0.0010760800000000, -0.0010050500000000, -0.0007315300000000 ] - [ -0.0003583700000000, 0.0004715500000000, -0.0000498100000000 ] - [ -0.0004161600000000, 0.0005347300000000, -0.0000454900000000 ] - [ -0.0004327000000000, 0.0005663300000000, -0.0000934600000000 ] - [ -0.0003770800000000, -0.0004477200000000, 0.0000950900000000 ] - [ -0.0002123600000000, 0.0001450700000000, 0.0001842800000000 ] - [ -0.0003577400000000, -0.0005005000000000, 0.0001170200000000 ] - [ -0.0004842300000000, -0.0005294100000000, 0.0000859100000000 ] - [ 0.0003602600000000, -0.0007489200000000, -0.0000889400000000 ] - [ 0.0004832200000000, -0.0006454000000000, -0.0000703000000000 ] - [ 0.0006272700000000, -0.0023251800000000, 0.0005207900000000 ] - [ 0.0004606900000000, -0.0006906500000000, -0.0000599700000000 ] - [ 0.0004843800000000, 0.0007564300000000, 0.0000501300000000 ] - [ 0.0009879500000000, 0.0017665200000000, -0.0002182700000000 ] - [ 0.0003867300000000, 0.0005937900000000, 0.0001405800000000 ] - [ 0.0004576600000000, 0.0006797000000000, 0.0000611900000000 ] - [ 0.0005431000000000, 0.0000819000000000, 0.0019148800000000 ] - [ 0.0006617500000000, 0.0000018200000000, 0.0005519200000000 ] - [ 0.0006890100000000, -0.0000051400000000, 0.0004929600000000 ] - [ 0.0006010500000000, 0.0000005900000000, 0.0005968800000000 ] - [ 0.0007562300000000, 0.0000144100000000, -0.0004325500000000 ] - [ 0.0004700000000000, 0.0000212000000000, -0.0005710300000000 ] - [ 0.0005878500000000, -0.0000028500000000, -0.0007639300000000 ] - [ 0.0005585800000000, 0.0000923100000000, -0.0010508300000000 ] - [ 0.0023007500000000, -0.0033838600000000, 0.0012378900000000 ] - [ -0.0005160400000000, -0.0000088600000000, 0.0007787100000000 ] - [ -0.0006242400000000, -0.0000022800000000, 0.0007038000000000 ] - [ -0.0006231300000000, 0.0000001300000000, 0.0005794100000000 ] - [ -0.0006699600000000, -0.0000065100000000, -0.0009115300000000 ] - [ -0.0036815400000000, -0.0033917600000000, -0.0021706600000000 ] - [ -0.0006246200000000, 0.0000007000000000, -0.0005399200000000 ] - [ -0.0006252700000000, -0.0000015300000000, -0.0006491700000000 ] - [ 0.0002840000000000, 0.0000032900000000, 0.0005733900000000 ] - [ 0.0012514100000000, -0.0008175400000000, 0.0011992500000000 ] - [ 0.0001058500000000, 0.0000002900000000, 0.0005317500000000 ] - [ 0.0001255900000000, 0.0000028400000000, 0.0005469600000000 ] - [ 0.0002473500000000, -0.0001523800000000, -0.0010302700000000 ] - [ 0.0000756100000000, -0.0000049600000000, -0.0004921900000000 ] - [ 0.0000482700000000, 0.0000004800000000, -0.0003820900000000 ] - [ -0.0001059600000000, -0.0000000100000000, -0.0005142400000000 ] - [ -0.0001267000000000, -0.0000113000000000, 0.0005259900000000 ] - [ 0.0000847800000000, -0.0000054000000000, 0.0003903800000000 ] - [ -0.0008087600000000, 0.0000393100000000, 0.0009717400000000 ] - [ 0.0000261100000000, -0.0000175700000000, 0.0005741600000000 ] - [ 0.0005949500000000, 0.0000776400000000, -0.0008248100000000 ] - [ -0.0002673500000000, 0.0000478400000000, -0.0003966000000000 ] - [ 0.0001949200000000, 0.0000069800000000, -0.0004673400000000 ] - [ 0.0000420400000000, 0.0000012400000000, -0.0005169400000000 ] - [ 0.0019917800000000, 0.0193960200000000, 0.0019990200000000 ] - [ -0.0006637900000000, -0.0002738400000000, 0.0001336600000000 ] - [ -0.0005975800000000, -0.0002540600000000, 0.0001047300000000 ] - [ -0.0006178500000000, -0.0002515300000000, 0.0001210700000000 ] - [ -0.0001924100000000, -0.0000714700000000, -0.0007754600000000 ] - [ 0.0007564500000000, -0.0001636200000000, -0.0010351600000000 ] - [ 0.0001886800000000, 0.0000005600000000, -0.0008628400000000 ] - [ 0.0002020100000000, -0.0000022200000000, -0.0007731300000000 ] - [ 0.0004626400000000, -0.0000822100000000, 0.0013206200000000 ] - [ -0.0004189200000000, 0.0000125900000000, 0.0008778700000000 ] - [ -0.0001908100000000, -0.0000119200000000, 0.0006449000000000 ] - [ -0.0001841300000000, 0.0000007800000000, 0.0008251600000000 ] - [ -0.0002247600000000, 0.0000017000000000, -0.0008666500000000 ] - [ -0.0001810300000000, 0.0000171800000000, -0.0005130600000000 ] - [ -0.0000679100000000, 0.0000028700000000, -0.0008068100000000 ] - [ -0.0005869600000000, -0.0001528600000000, -0.0016206800000000 ] - [ 0.0005332200000000, 0.0002688400000000, -0.0001273000000000 ] - [ 0.0010166600000000, 0.0008985500000000, -0.0007194300000000 ] - [ 0.0006099700000000, 0.0003140700000000, -0.0001218100000000 ] - [ 0.0004176200000000, 0.0004406800000000, -0.0000787500000000 ] - [ 0.0004829900000000, -0.0004646700000000, -0.0000165600000000 ] - [ 0.0005217500000000, -0.0003645700000000, 0.0002305000000000 ] - [ 0.0006736300000000, -0.0004647200000000, 0.0000747200000000 ] - [ 0.0006704200000000, -0.0003647300000000, 0.0001462300000000 ] - [ -0.0006637700000000, 0.0001737100000000, 0.0001103500000000 ] - [ -0.0006386000000000, 0.0001743300000000, -0.0003277200000000 ] - [ -0.0006120700000000, -0.0002474600000000, -0.0001728900000000 ] - [ -0.0006005500000000, -0.0002473800000000, -0.0001122100000000 ] - [ -0.0004952000000000, -0.0020827900000000, 0.0003268700000000 ] - [ -0.0006636000000000, 0.0002775900000000, 0.0001331500000000 ] - [ -0.0005964800000000, 0.0002540500000000, 0.0001073100000000 ] - [ -0.0006181400000000, 0.0002520100000000, 0.0001215600000000 ] - [ 0.0005386600000000, -0.0002733200000000, -0.0001239000000000 ] - [ 0.0009409000000000, -0.0009364400000000, -0.0002470600000000 ] - [ 0.0006100100000000, -0.0003138300000000, -0.0001234800000000 ] - [ 0.0004868300000000, -0.0004072300000000, -0.0001354600000000 ] - [ -0.0005094500000000, -0.0000619800000000, 0.0000602000000000 ] - [ -0.0007767700000000, -0.0000624300000000, -0.0003513800000000 ] - [ -0.0006107400000000, 0.0002479700000000, -0.0001690300000000 ] - [ -0.0006021100000000, 0.0002479500000000, -0.0001119000000000 ] - [ 0.0004388900000000, 0.0004888500000000, -0.0001419100000000 ] - [ 0.0005399800000000, 0.0003553900000000, 0.0002135100000000 ] - [ 0.0006948000000000, 0.0004884700000000, 0.0000888800000000 ] - [ 0.0007063600000000, 0.0003555300000000, 0.0001678700000000 ] - [ -0.0004698100000000, -0.0022974200000000, 0.0030736600000000 ] - [ 0.0002197700000000, -0.0000010300000000, 0.0008157200000000 ] - [ 0.0002513600000000, -0.0000025200000000, 0.0006063600000000 ] - [ 0.0001569800000000, 0.0000001000000000, 0.0008549100000000 ] - [ -0.0026705600000000, -0.0027761100000000, -0.0033084300000000 ] - [ 0.0006693300000000, -0.0000363300000000, -0.0003067300000000 ] - [ 0.0007828900000000, 0.0000026700000000, -0.0003759600000000 ] - [ 0.0008028300000000, -0.0000000400000000, -0.0003431000000000 ] - [ 0.0007017600000000, -0.0000009400000000, 0.0002367100000000 ] - [ 0.0008673800000000, -0.0000063000000000, 0.0003286600000000 ] - [ 0.0004666200000000, 0.0000298000000000, 0.0005269400000000 ] - [ 0.0014092500000000, -0.0016332300000000, 0.0006799800000000 ] - [ 0.0003772700000000, -0.0008773000000000, -0.0042902800000000 ] - [ -0.0009062600000000, 0.0000000000000000, -0.0004660500000000 ] - [ -0.0008377200000000, 0.0000345100000000, -0.0003905400000000 ] - [ -0.0009789100000000, -0.0000004800000000, -0.0003204200000000 ] - [ -0.0009644600000000, 0.0000926600000000, 0.0006450400000000 ] - [ -0.0043313000000000, -0.0013747400000000, 0.0033036500000000 ] - [ -0.0007757100000000, -0.0000056700000000, 0.0002996500000000 ] - [ -0.0010000600000000, 0.0000178700000000, 0.0003425600000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002172500000000, -0.0003492400000000, 0.0001785300000000 ] - [ 0.0012035400000000, -0.0001733800000000, -0.0001309800000000 ] - [ 0.0005393700000000, -0.0006731900000000, -0.0000662700000000 ] - [ 0.0003822700000000, -0.0006552700000000, -0.0000317400000000 ] - [ 0.0003021500000000, 0.0004325100000000, -0.0003085800000000 ] - [ 0.0004431300000000, 0.0005775700000000, -0.0001153500000000 ] - [ 0.0002253100000000, -0.0000216600000000, -0.0002758900000000 ] - [ 0.0004156400000000, 0.0006393600000000, -0.0000498600000000 ] - [ -0.0003431100000000, 0.0005493500000000, 0.0001687800000000 ] - [ 0.0005799600000000, 0.0005901200000000, 0.0020228900000000 ] - [ -0.0004671200000000, 0.0006442700000000, 0.0000103400000000 ] - [ -0.0003974300000000, 0.0006233600000000, -0.0001376800000000 ] - [ -0.0010361500000000, -0.0015244100000000, 0.0003408700000000 ] - [ -0.0003478200000000, -0.0005328900000000, 0.0000397700000000 ] - [ -0.0003123100000000, -0.0004266400000000, -0.0002438400000000 ] - [ -0.0004299300000000, -0.0005466000000000, -0.0001691600000000 ] - [ 0.0012653200000000, 0.0010265900000000, 0.0015337900000000 ] - [ -0.0003623300000000, 0.0005339600000000, 0.0000542100000000 ] - [ -0.0003264400000000, 0.0004687100000000, -0.0002543600000000 ] - [ -0.0004307200000000, 0.0005484900000000, -0.0001703700000000 ] - [ -0.0003368800000000, -0.0005603100000000, 0.0001585100000000 ] - [ -0.0000407700000000, 0.0001068400000000, 0.0005949900000000 ] - [ -0.0004669500000000, -0.0006461300000000, 0.0000119100000000 ] - [ -0.0004439300000000, -0.0006758500000000, -0.0000937900000000 ] - [ 0.0002373600000000, -0.0003187700000000, -0.0004169400000000 ] - [ 0.0004433900000000, -0.0005782200000000, -0.0001147600000000 ] - [ 0.0009987800000000, -0.0021108700000000, 0.0021511300000000 ] - [ 0.0004167600000000, -0.0006388900000000, -0.0000516000000000 ] - [ 0.0002947300000000, 0.0004374900000000, 0.0001646000000000 ] - [ 0.0009428600000000, 0.0011092500000000, 0.0001096200000000 ] - [ 0.0005075000000000, 0.0006465600000000, -0.0000389700000000 ] - [ 0.0003837600000000, 0.0006309000000000, -0.0000109800000000 ] - [ 0.0005083300000000, -0.0001332000000000, 0.0001405600000000 ] - [ 0.0006432600000000, -0.0000000100000000, 0.0007085700000000 ] - [ 0.0007289100000000, 0.0000725400000000, 0.0000432800000000 ] - [ 0.0005753100000000, -0.0000003100000000, 0.0005344600000000 ] - [ 0.0005142600000000, -0.0000089600000000, -0.0008865000000000 ] - [ 0.0007506600000000, -0.0000407800000000, -0.0011504800000000 ] - [ 0.0006819900000000, 0.0000175100000000, -0.0006506500000000 ] - [ 0.0005147200000000, 0.0000116300000000, -0.0013161600000000 ] - [ -0.0004586700000000, 0.0000489400000000, 0.0033918600000000 ] - [ -0.0005761700000000, -0.0000071200000000, 0.0010306300000000 ] - [ -0.0006647200000000, 0.0000046300000000, 0.0001548100000000 ] - [ -0.0006299500000000, -0.0000003600000000, 0.0004264800000000 ] - [ -0.0005681000000000, 0.0000003400000000, -0.0002055900000000 ] - [ -0.0001687400000000, 0.0007380400000000, 0.0021311100000000 ] - [ -0.0006014900000000, -0.0000021700000000, -0.0009787600000000 ] - [ -0.0005777400000000, 0.0000016000000000, -0.0011860100000000 ] - [ 0.0001638900000000, -0.0000007500000000, 0.0006317300000000 ] - [ 0.0000321800000000, -0.0002327700000000, 0.0015082200000000 ] - [ 0.0000508400000000, -0.0000000300000000, 0.0004484700000000 ] - [ -0.0000084400000000, 0.0000103700000000, 0.0003142500000000 ] - [ 0.0018688800000000, 0.0006599000000000, 0.0003249900000000 ] - [ -0.0001299800000000, 0.0000042200000000, -0.0005050100000000 ] - [ -0.0003658400000000, -0.0000442200000000, -0.0008409400000000 ] - [ -0.0000492900000000, -0.0000002300000000, -0.0005594400000000 ] - [ -0.0002419200000000, 0.0000072100000000, 0.0004887400000000 ] - [ 0.0001110800000000, 0.0000109400000000, 0.0003550700000000 ] - [ 0.0008796300000000, -0.0001417100000000, 0.0002663600000000 ] - [ -0.0003086800000000, -0.0000236000000000, 0.0006290000000000 ] - [ 0.0003424900000000, 0.0000676100000000, -0.0003691300000000 ] - [ -0.0006686300000000, 0.0000467500000000, -0.0001069500000000 ] - [ 0.0000505700000000, -0.0000039100000000, -0.0006495900000000 ] - [ 0.0003007500000000, -0.0000018000000000, -0.0007062900000000 ] - [ -0.0021870800000000, -0.0021885900000000, -0.0133176300000000 ] - [ -0.0005982600000000, -0.0002796700000000, 0.0000193700000000 ] - [ -0.0006309600000000, -0.0002505100000000, 0.0003397700000000 ] - [ -0.0006272900000000, -0.0002668400000000, 0.0002138600000000 ] - [ 0.0004900500000000, 0.0000424300000000, -0.0009808300000000 ] - [ -0.0001413100000000, 0.0000574500000000, -0.0012015200000000 ] - [ 0.0001503300000000, -0.0000029700000000, -0.0007243100000000 ] - [ 0.0002469100000000, -0.0000022000000000, -0.0005769400000000 ] - [ 0.0005699900000000, -0.0004584100000000, 0.0008781100000000 ] - [ -0.0004370700000000, -0.0000178700000000, 0.0007891600000000 ] - [ -0.0002466700000000, 0.0000620400000000, 0.0012181400000000 ] - [ -0.0001377100000000, 0.0000011900000000, 0.0008993200000000 ] - [ -0.0001668200000000, -0.0000019500000000, -0.0007724000000000 ] - [ -0.0002945900000000, -0.0000188000000000, -0.0004515600000000 ] - [ -0.0003565100000000, -0.0000028200000000, -0.0008926200000000 ] - [ 0.0005632400000000, 0.0005766000000000, -0.0003190700000000 ] - [ 0.0006210800000000, 0.0002732900000000, -0.0001226200000000 ] - [ -0.0000139600000000, 0.0008682000000000, 0.0018003900000000 ] - [ 0.0005782000000000, 0.0002679200000000, -0.0001075700000000 ] - [ 0.0006993400000000, 0.0002249800000000, 0.0002411400000000 ] - [ 0.0007747500000000, -0.0002211700000000, 0.0002417900000000 ] - [ 0.0004770400000000, -0.0002921200000000, 0.0002011100000000 ] - [ 0.0004754300000000, -0.0001291800000000, 0.0002416900000000 ] - [ 0.0007493200000000, -0.0003765000000000, 0.0002010500000000 ] - [ -0.0008769000000000, -0.0004736300000000, -0.0005587800000000 ] - [ -0.0004867600000000, -0.0000354900000000, -0.0005589900000000 ] - [ -0.0005708300000000, -0.0002577700000000, 0.0000166900000000 ] - [ -0.0006003800000000, -0.0003188600000000, 0.0000165900000000 ] - [ -0.0004839900000000, 0.0004742500000000, -0.0006968200000000 ] - [ -0.0006005300000000, 0.0002789900000000, 0.0000193500000000 ] - [ -0.0006328100000000, 0.0002529100000000, 0.0003256800000000 ] - [ -0.0006265200000000, 0.0002670900000000, 0.0002135200000000 ] - [ 0.0006173000000000, -0.0002697600000000, -0.0001244400000000 ] - [ 0.0005549800000000, -0.0003929400000000, 0.0001410900000000 ] - [ 0.0005801600000000, -0.0002694700000000, -0.0001058300000000 ] - [ 0.0006306100000000, -0.0002812600000000, 0.0000554000000000 ] - [ -0.0007268500000000, 0.0004974600000000, -0.0004346100000000 ] - [ -0.0006331800000000, 0.0000857100000000, -0.0004347000000000 ] - [ -0.0005722500000000, 0.0002576200000000, 0.0000121900000000 ] - [ -0.0005974100000000, 0.0003151500000000, 0.0000120700000000 ] - [ 0.0008444100000000, 0.0002351100000000, 0.0003458800000000 ] - [ 0.0004626900000000, 0.0003136300000000, 0.0002162900000000 ] - [ 0.0003126200000000, 0.0000036300000000, 0.0003454100000000 ] - [ 0.0007818200000000, 0.0003592600000000, 0.0002161300000000 ] - [ -0.0002603100000000, -0.0017737300000000, 0.0009744600000000 ] - [ 0.0002872000000000, 0.0000008800000000, 0.0007511000000000 ] - [ 0.0001937300000000, 0.0000069400000000, 0.0011355300000000 ] - [ 0.0001607200000000, 0.0000005500000000, 0.0009184400000000 ] - [ 0.0019108500000000, 0.0029061000000000, 0.0009118900000000 ] - [ 0.0007468300000000, -0.0000072100000000, -0.0004007300000000 ] - [ 0.0007426900000000, -0.0000083300000000, 0.0001090700000000 ] - [ 0.0008229600000000, -0.0000005400000000, -0.0002625600000000 ] - [ 0.0008704500000000, 0.0000005900000000, 0.0005399400000000 ] - [ 0.0007562400000000, 0.0000344400000000, 0.0008000100000000 ] - [ 0.0007024100000000, 0.0000203600000000, 0.0003959000000000 ] - [ 0.0016114900000000, -0.0017791600000000, 0.0007876100000000 ] - [ -0.0041944300000000, 0.0040259100000000, -0.0007094700000000 ] - [ -0.0007326200000000, -0.0000031600000000, -0.0006770600000000 ] - [ -0.0005074500000000, -0.0000865800000000, -0.0000057200000000 ] - [ -0.0009476300000000, 0.0000041500000000, -0.0001742800000000 ] - [ -0.0006674100000000, -0.0000702100000000, -0.0000383200000000 ] - [ -0.0045992700000000, -0.0024015700000000, -0.0015726600000000 ] - [ -0.0009349000000000, 0.0000285800000000, 0.0006237100000000 ] - [ -0.0006517300000000, 0.0000025200000000, 0.0007772800000000 ]- atom: 65 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0006298700000000, -0.0008247200000000, -0.0000160100000000 ] - [ -0.0003524500000000, -0.0009981600000000, 0.0002945800000000 ] - [ 0.0002985600000000, -0.0004866200000000, 0.0002327100000000 ] - [ 0.0004634800000000, -0.0005158600000000, 0.0001947400000000 ] - [ 0.0005402400000000, 0.0007330000000000, 0.0001448200000000 ] - [ 0.0004013700000000, 0.0005923800000000, -0.0000472300000000 ] - [ 0.0006172500000000, 0.0011897000000000, 0.0001125600000000 ] - [ 0.0004304000000000, 0.0005332100000000, -0.0001128000000000 ] - [ -0.0005005300000000, 0.0006175800000000, -0.0000067500000000 ] - [ -0.0014950700000000, 0.0006264100000000, -0.0019262700000000 ] - [ -0.0003758300000000, 0.0005205000000000, 0.0001521600000000 ] - [ -0.0004458700000000, 0.0005453900000000, 0.0002980900000000 ] - [ 0.0001905200000000, 0.0003531800000000, -0.0005031300000000 ] - [ -0.0004999000000000, -0.0006425400000000, -0.0001996100000000 ] - [ -0.0005291200000000, -0.0007409000000000, 0.0000823700000000 ] - [ -0.0004136000000000, -0.0006214800000000, 0.0000077200000000 ] - [ -0.0020684100000000, 0.0001733300000000, -0.0016820800000000 ] - [ -0.0004857300000000, 0.0006418300000000, -0.0002164300000000 ] - [ -0.0005156700000000, 0.0006994400000000, 0.0000912300000000 ] - [ -0.0004125300000000, 0.0006192400000000, 0.0000065400000000 ] - [ -0.0005075200000000, -0.0006073800000000, 0.0000058600000000 ] - [ -0.0008029300000000, -0.0012796000000000, -0.0004324400000000 ] - [ -0.0003753200000000, -0.0005178100000000, 0.0001537300000000 ] - [ -0.0003999400000000, -0.0004932900000000, 0.0002575900000000 ] - [ 0.0006031400000000, -0.0008445200000000, 0.0002534000000000 ] - [ 0.0004018200000000, -0.0005926100000000, -0.0000449800000000 ] - [ -0.0001058700000000, 0.0009295400000000, -0.0024682200000000 ] - [ 0.0004290900000000, -0.0005335700000000, -0.0001090700000000 ] - [ 0.0005511500000000, 0.0007351100000000, -0.0000040500000000 ] - [ -0.0000949700000000, 0.0000652100000000, 0.0000496400000000 ] - [ 0.0003303500000000, 0.0005142100000000, 0.0002027000000000 ] - [ 0.0004613700000000, 0.0005395200000000, 0.0001709700000000 ] - [ 0.0007250400000000, 0.0001313700000000, 0.0012126300000000 ] - [ 0.0005923800000000, -0.0000001800000000, 0.0006376600000000 ] - [ 0.0005062000000000, -0.0000729500000000, 0.0013127400000000 ] - [ 0.0006604200000000, -0.0000000800000000, 0.0008165000000000 ] - [ 0.0007218600000000, 0.0000090700000000, -0.0004648500000000 ] - [ 0.0004865500000000, 0.0000400600000000, -0.0001965300000000 ] - [ 0.0005531600000000, -0.0000173500000000, -0.0007043900000000 ] - [ 0.0007214500000000, -0.0000105200000000, -0.0000294400000000 ] - [ -0.0007941700000000, -0.0000313800000000, -0.0020550700000000 ] - [ -0.0006599600000000, 0.0000067000000000, 0.0003149300000000 ] - [ -0.0005712500000000, -0.0000043200000000, 0.0011994500000000 ] - [ -0.0006060700000000, 0.0000000900000000, 0.0009211000000000 ] - [ -0.0006668800000000, 0.0000000100000000, -0.0011454100000000 ] - [ -0.0010558400000000, -0.0007286700000000, -0.0034658200000000 ] - [ -0.0006333300000000, 0.0000021400000000, -0.0003851500000000 ] - [ -0.0006574300000000, -0.0000015600000000, -0.0001638100000000 ] - [ 0.0000444900000000, 0.0000007300000000, 0.0004334600000000 ] - [ 0.0001764000000000, 0.0002471400000000, -0.0004363600000000 ] - [ 0.0001501600000000, -0.0000004000000000, 0.0006135100000000 ] - [ 0.0002095500000000, -0.0000100100000000, 0.0007467500000000 ] - [ -0.0020819200000000, -0.0006909000000000, -0.0013450500000000 ] - [ -0.0000755800000000, -0.0000039800000000, -0.0005584200000000 ] - [ 0.0001619400000000, 0.0000447700000000, -0.0002226900000000 ] - [ -0.0001433000000000, 0.0000000900000000, -0.0004985200000000 ] - [ 0.0000428700000000, -0.0000066700000000, 0.0005736400000000 ] - [ -0.0003132400000000, -0.0000105900000000, 0.0007081900000000 ] - [ -0.0010822200000000, 0.0001419300000000, 0.0007961600000000 ] - [ 0.0001021800000000, 0.0000234600000000, 0.0004349300000000 ] - [ -0.0001463600000000, -0.0000679400000000, -0.0006914800000000 ] - [ 0.0008743200000000, -0.0000472000000000, -0.0009571000000000 ] - [ 0.0001474200000000, 0.0000037100000000, -0.0004102700000000 ] - [ -0.0000964800000000, 0.0000019400000000, -0.0003567500000000 ] - [ 0.0009377900000000, 0.0015939600000000, 0.0137262500000000 ] - [ -0.0006156800000000, -0.0002653500000000, 0.0002353300000000 ] - [ -0.0005828900000000, -0.0002942900000000, -0.0000851900000000 ] - [ -0.0005859400000000, -0.0002778900000000, 0.0000396700000000 ] - [ -0.0001154400000000, -0.0000430000000000, -0.0006931500000000 ] - [ 0.0005182300000000, -0.0000579000000000, -0.0004739900000000 ] - [ 0.0002256000000000, 0.0000026800000000, -0.0009497600000000 ] - [ 0.0001293600000000, 0.0000019400000000, -0.0010981000000000 ] - [ -0.0009402900000000, 0.0004550500000000, 0.0007968900000000 ] - [ 0.0000614600000000, 0.0000180400000000, 0.0008859900000000 ] - [ -0.0001296100000000, -0.0000615600000000, 0.0004565200000000 ] - [ -0.0002395900000000, -0.0000009600000000, 0.0007760800000000 ] - [ -0.0002101300000000, 0.0000014400000000, -0.0009009600000000 ] - [ -0.0000822100000000, 0.0000177300000000, -0.0012242300000000 ] - [ -0.0000189400000000, 0.0000024900000000, -0.0007818100000000 ] - [ -0.0009454700000000, -0.0005835300000000, -0.0013629800000000 ] - [ 0.0005924700000000, 0.0002714700000000, -0.0001322200000000 ] - [ 0.0012195300000000, -0.0003155100000000, -0.0020355100000000 ] - [ 0.0006355400000000, 0.0002770500000000, -0.0001467900000000 ] - [ 0.0005140000000000, 0.0003198800000000, -0.0004958100000000 ] - [ 0.0004386100000000, -0.0003243700000000, 0.0000121700000000 ] - [ 0.0007363400000000, -0.0002530100000000, 0.0000535100000000 ] - [ 0.0007386800000000, -0.0004154700000000, 0.0000120400000000 ] - [ 0.0004641000000000, -0.0001682100000000, 0.0000536000000000 ] - [ -0.0003383300000000, -0.0000714400000000, 0.0003056400000000 ] - [ -0.0007246700000000, -0.0005100300000000, 0.0003052300000000 ] - [ -0.0006426300000000, -0.0002867400000000, -0.0002715700000000 ] - [ -0.0006136200000000, -0.0002260700000000, -0.0002717200000000 ] - [ -0.0007301600000000, 0.0000740900000000, 0.0009526200000000 ] - [ -0.0006133300000000, 0.0002658800000000, 0.0002356400000000 ] - [ -0.0005810400000000, 0.0002918000000000, -0.0000710500000000 ] - [ -0.0005866600000000, 0.0002775400000000, 0.0000402900000000 ] - [ 0.0005963400000000, -0.0002751300000000, -0.0001307700000000 ] - [ 0.0006592800000000, -0.0001521500000000, -0.0003967200000000 ] - [ 0.0006334900000000, -0.0002755300000000, -0.0001490000000000 ] - [ 0.0005827400000000, -0.0002636500000000, -0.0003098500000000 ] - [ -0.0004867300000000, 0.0000473700000000, 0.0001809200000000 ] - [ -0.0005799300000000, 0.0004598300000000, 0.0001805900000000 ] - [ -0.0006412700000000, 0.0002868200000000, -0.0002665100000000 ] - [ -0.0006165200000000, 0.0002297300000000, -0.0002666400000000 ] - [ 0.0003697100000000, 0.0003108900000000, -0.0000915500000000 ] - [ 0.0007505700000000, 0.0002314800000000, 0.0000389100000000 ] - [ 0.0009015600000000, 0.0005408500000000, -0.0000920900000000 ] - [ 0.0004317100000000, 0.0001854800000000, 0.0000389200000000 ] - [ 0.0006384000000000, 0.0017822200000000, 0.0007057800000000 ] - [ 0.0000892000000000, -0.0000005800000000, 0.0009246000000000 ] - [ 0.0001825400000000, -0.0000066200000000, 0.0005386800000000 ] - [ 0.0002158500000000, -0.0000003300000000, 0.0007568100000000 ] - [ -0.0002918300000000, -0.0028892300000000, -0.0016930200000000 ] - [ 0.0008643600000000, 0.0000072100000000, -0.0003793300000000 ] - [ 0.0008672800000000, 0.0000079300000000, -0.0008884700000000 ] - [ 0.0007876400000000, 0.0000005700000000, -0.0005154600000000 ] - [ 0.0007385400000000, -0.0000011500000000, 0.0002366000000000 ] - [ 0.0008527400000000, -0.0000341400000000, -0.0000229900000000 ] - [ 0.0009090800000000, -0.0000201100000000, 0.0003825700000000 ] - [ -0.0000045600000000, 0.0017792100000000, -0.0000152600000000 ] - [ 0.0026170500000000, -0.0040589200000000, -0.0000756800000000 ] - [ -0.0008777500000000, 0.0000029600000000, -0.0001010700000000 ] - [ -0.0011006500000000, 0.0000846900000000, -0.0007717800000000 ] - [ -0.0006624000000000, -0.0000037900000000, -0.0006032100000000 ] - [ -0.0009444100000000, 0.0000710600000000, 0.0008190400000000 ] - [ 0.0029764200000000, 0.0023903300000000, 0.0023395400000000 ] - [ -0.0006738100000000, -0.0000289400000000, 0.0001556200000000 ] - [ -0.0009593800000000, -0.0000023100000000, 0.0000013600000000 ]- atom: 69 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0011472300000000, -0.0003949000000000, 0.0000411700000000 ] - [ 0.0000177100000000, -0.0003757600000000, 0.0001390200000000 ] - [ 0.0005335300000000, -0.0006422700000000, 0.0000421600000000 ] - [ 0.0003391900000000, -0.0005512400000000, 0.0000944200000000 ] - [ 0.0004721600000000, 0.0008274000000000, 0.0001043900000000 ] - [ 0.0003358700000000, 0.0004041900000000, -0.0002124200000000 ] - [ 0.0003333700000000, 0.0005352300000000, -0.0002201700000000 ] - [ 0.0004353800000000, 0.0006046500000000, 0.0000129600000000 ] - [ 0.0000738900000000, 0.0001021000000000, 0.0010657000000000 ] - [ -0.0006990800000000, 0.0007540000000000, -0.0001045500000000 ] - [ -0.0004010200000000, 0.0007895400000000, -0.0000091900000000 ] - [ -0.0005907000000000, 0.0006569000000000, 0.0001101600000000 ] - [ 0.0010702300000000, -0.0014626400000000, -0.0001192100000000 ] - [ -0.0012855500000000, -0.0016947600000000, 0.0002388800000000 ] - [ -0.0003627200000000, -0.0005641000000000, -0.0001079500000000 ] - [ -0.0004860700000000, -0.0006228300000000, -0.0000779500000000 ] - [ 0.0010702300000000, 0.0014626400000000, -0.0001192100000000 ] - [ -0.0012855500000000, 0.0016947600000000, 0.0002388800000000 ] - [ -0.0003627200000000, 0.0005641000000000, -0.0001079500000000 ] - [ -0.0004860700000000, 0.0006228300000000, -0.0000779500000000 ] - [ 0.0000738900000000, -0.0001021000000000, 0.0010657000000000 ] - [ -0.0006990800000000, -0.0007540000000000, -0.0001045500000000 ] - [ -0.0004010200000000, -0.0007895400000000, -0.0000091900000000 ] - [ -0.0005907000000000, -0.0006569000000000, 0.0001101600000000 ] - [ 0.0004721600000000, -0.0008274000000000, 0.0001043900000000 ] - [ 0.0003358700000000, -0.0004041900000000, -0.0002124200000000 ] - [ 0.0003333700000000, -0.0005352300000000, -0.0002201700000000 ] - [ 0.0004353800000000, -0.0006046500000000, 0.0000129600000000 ] - [ 0.0011472300000000, 0.0003949000000000, 0.0000411700000000 ] - [ 0.0000177100000000, 0.0003757600000000, 0.0001390200000000 ] - [ 0.0005335300000000, 0.0006422700000000, 0.0000421600000000 ] - [ 0.0003391900000000, 0.0005512400000000, 0.0000944200000000 ] - [ 0.0002620200000000, 0.0000000000000000, 0.0022586400000000 ] - [ 0.0006671900000000, 0.0000000000000000, -0.0006999300000000 ] - [ 0.0006405200000000, 0.0000000000000000, 0.0004451000000000 ] - [ 0.0005824500000000, 0.0000000000000000, 0.0007467400000000 ] - [ 0.0012406800000000, 0.0000000000000000, 0.0003043900000000 ] - [ 0.0003241100000000, 0.0000000000000000, -0.0005634700000000 ] - [ 0.0008416500000000, 0.0000000000000000, -0.0006800800000000 ] - [ 0.0005464100000000, 0.0000000000000000, -0.0007294100000000 ] - [ -0.0006219500000000, 0.0000000000000000, 0.0000038200000000 ] - [ -0.0006997900000000, 0.0000000000000000, 0.0010161200000000 ] - [ -0.0005690400000000, 0.0000000000000000, 0.0008261600000000 ] - [ -0.0006693000000000, 0.0000000000000000, 0.0004591000000000 ] - [ -0.0003549100000000, 0.0000000000000000, -0.0005803400000000 ] - [ -0.0008310400000000, 0.0000000000000000, -0.0005767400000000 ] - [ -0.0005538600000000, 0.0000000000000000, -0.0007226300000000 ] - [ -0.0006869200000000, 0.0000000000000000, -0.0006304100000000 ] - [ 0.0015008900000000, 0.0000000000000000, -0.0004522700000000 ] - [ -0.0015564300000000, 0.0000000000000000, -0.0000343800000000 ] - [ 0.0000912200000000, 0.0000000000000000, 0.0004784000000000 ] - [ 0.0000714900000000, 0.0000000000000000, 0.0005413500000000 ] - [ -0.0007705200000000, 0.0000000000000000, -0.0006462100000000 ] - [ 0.0002490800000000, 0.0000000000000000, -0.0005166600000000 ] - [ -0.0002522000000000, 0.0000000000000000, -0.0006087700000000 ] - [ 0.0000044000000000, 0.0000000000000000, -0.0004821700000000 ] - [ 0.0002226300000000, 0.0000000000000000, 0.0004880700000000 ] - [ -0.0003629800000000, 0.0000000000000000, 0.0005810800000000 ] - [ 0.0002203700000000, 0.0000000000000000, 0.0003525500000000 ] - [ -0.0003837600000000, 0.0000000000000000, 0.0006450900000000 ] - [ 0.0026953200000000, 0.0000000000000000, -0.0006289800000000 ] - [ -0.0004243500000000, 0.0000000000000000, -0.0002829100000000 ] - [ 0.0006506500000000, 0.0000000000000000, -0.0007029000000000 ] - [ -0.0002678600000000, 0.0000000000000000, -0.0004781500000000 ] - [ -0.0002196900000000, 0.0001029800000000, 0.0004294100000000 ] - [ -0.0005215100000000, -0.0008494200000000, -0.0002039900000000 ] - [ -0.0005632000000000, -0.0002781000000000, 0.0000895000000000 ] - [ -0.0006226900000000, -0.0002911900000000, 0.0001858900000000 ] - [ -0.0136975100000000, 0.0000000000000000, -0.0028759200000000 ] - [ 0.0009138000000000, 0.0000000000000000, -0.0008880600000000 ] - [ 0.0000928500000000, 0.0000000000000000, -0.0007887100000000 ] - [ 0.0002692000000000, 0.0000000000000000, -0.0008228300000000 ] - [ -0.0005353100000000, 0.0000000000000000, 0.0006341100000000 ] - [ -0.0000080500000000, 0.0000000000000000, 0.0009108800000000 ] - [ -0.0002410000000000, 0.0000000000000000, 0.0008901200000000 ] - [ -0.0001352400000000, 0.0000000000000000, 0.0008250300000000 ] - [ -0.0003281600000000, 0.0000000000000000, -0.0007732800000000 ] - [ -0.0000315300000000, 0.0000000000000000, -0.0008882900000000 ] - [ -0.0003281600000000, 0.0000000000000000, -0.0008700700000000 ] - [ -0.0000314100000000, 0.0000000000000000, -0.0008009700000000 ] - [ 0.0008077700000000, -0.0003747800000000, 0.0006313900000000 ] - [ 0.0010241100000000, 0.0005081300000000, -0.0003760400000000 ] - [ 0.0005848500000000, 0.0002801900000000, -0.0001856000000000 ] - [ 0.0006610300000000, 0.0002731500000000, -0.0000765600000000 ] - [ 0.0001984000000000, -0.0006751300000000, -0.0006268100000000 ] - [ 0.0009051100000000, -0.0001567600000000, 0.0002961600000000 ] - [ 0.0005071500000000, -0.0002703300000000, 0.0002332900000000 ] - [ 0.0007039400000000, -0.0003138100000000, 0.0001052100000000 ] - [ -0.0015375800000000, 0.0003880900000000, 0.0003248100000000 ] - [ -0.0003142400000000, -0.0003090600000000, -0.0002265000000000 ] - [ -0.0007323500000000, -0.0003407200000000, -0.0001328000000000 ] - [ -0.0005105300000000, -0.0002462200000000, -0.0000992400000000 ] - [ -0.0002196900000000, -0.0001029800000000, 0.0004294100000000 ] - [ -0.0005215100000000, 0.0008494200000000, -0.0002039900000000 ] - [ -0.0005632000000000, 0.0002781000000000, 0.0000895000000000 ] - [ -0.0006226900000000, 0.0002911900000000, 0.0001858900000000 ] - [ 0.0008077700000000, 0.0003747800000000, 0.0006313900000000 ] - [ 0.0010241100000000, -0.0005081300000000, -0.0003760400000000 ] - [ 0.0005848500000000, -0.0002801900000000, -0.0001856000000000 ] - [ 0.0006610300000000, -0.0002731500000000, -0.0000765600000000 ] - [ -0.0015375800000000, -0.0003880900000000, 0.0003248100000000 ] - [ -0.0003142400000000, 0.0003090600000000, -0.0002265000000000 ] - [ -0.0007323500000000, 0.0003407200000000, -0.0001328000000000 ] - [ -0.0005105300000000, 0.0002462200000000, -0.0000992400000000 ] - [ 0.0001984000000000, 0.0006751300000000, -0.0006268100000000 ] - [ 0.0009051100000000, 0.0001567600000000, 0.0002961600000000 ] - [ 0.0005071500000000, 0.0002703300000000, 0.0002332900000000 ] - [ 0.0007039400000000, 0.0003138100000000, 0.0001052100000000 ] - [ 0.0003460000000000, 0.0000000000000000, 0.0013535200000000 ] - [ 0.0003457900000000, 0.0000000000000000, 0.0003236500000000 ] - [ 0.0002119100000000, 0.0000000000000000, 0.0005136900000000 ] - [ 0.0002106500000000, 0.0000000000000000, 0.0010915600000000 ] - [ 0.0069973900000000, 0.0000000000000000, -0.0022525500000000 ] - [ 0.0043277000000000, 0.0000000000000000, 0.0014094400000000 ] - [ 0.0007700700000000, 0.0000000000000000, -0.0002404400000000 ] - [ 0.0008787100000000, 0.0000000000000000, -0.0004374000000000 ] - [ 0.0008828700000000, 0.0000000000000000, 0.0011195400000000 ] - [ 0.0011130200000000, 0.0000000000000000, 0.0002595400000000 ] - [ -0.0020096200000000, 0.0000000000000000, -0.0001513200000000 ] - [ 0.0013480400000000, 0.0000000000000000, 0.0004181100000000 ] - [ -0.0008608900000000, 0.0000000000000000, 0.0001959400000000 ] - [ -0.0007015600000000, 0.0000000000000000, -0.0007194400000000 ] - [ -0.0011852900000000, 0.0000000000000000, -0.0004852500000000 ] - [ -0.0005253800000000, 0.0000000000000000, -0.0002780100000000 ] - [ -0.0006779200000000, 0.0000000000000000, 0.0002977700000000 ] - [ -0.0002110900000000, 0.0000000000000000, 0.0003500300000000 ] - [ -0.0009522800000000, 0.0000000000000000, 0.0004359700000000 ] - [ -0.0006617800000000, 0.0000000000000000, 0.0003823900000000 ]- atom: 69 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002952100000000, -0.0007924000000000, 0.0001171800000000 ] - [ 0.0008287000000000, -0.0008028200000000, 0.0000206500000000 ] - [ 0.0003248800000000, -0.0005551900000000, 0.0001126300000000 ] - [ 0.0005125200000000, -0.0006360600000000, 0.0000632200000000 ] - [ 0.0003833400000000, 0.0003656800000000, -0.0002612900000000 ] - [ 0.0005202700000000, 0.0007880500000000, 0.0000554900000000 ] - [ 0.0005221600000000, 0.0006586900000000, 0.0000641500000000 ] - [ 0.0004208100000000, 0.0005886600000000, -0.0001683300000000 ] - [ -0.0009243000000000, 0.0010891700000000, -0.0009084900000000 ] - [ -0.0001574500000000, 0.0004394900000000, 0.0002612600000000 ] - [ -0.0004531100000000, 0.0004030800000000, 0.0001658400000000 ] - [ -0.0002668600000000, 0.0005396800000000, 0.0000448400000000 ] - [ -0.0020393000000000, 0.0003316400000000, -0.0000278400000000 ] - [ 0.0004290100000000, 0.0005002200000000, -0.0003944700000000 ] - [ -0.0004947900000000, -0.0006312200000000, -0.0000475700000000 ] - [ -0.0003660000000000, -0.0005653500000000, -0.0000794000000000 ] - [ -0.0020393000000000, -0.0003316400000000, -0.0000278400000000 ] - [ 0.0004290100000000, -0.0005002200000000, -0.0003944700000000 ] - [ -0.0004947900000000, 0.0006312200000000, -0.0000475700000000 ] - [ -0.0003660000000000, 0.0005653500000000, -0.0000794000000000 ] - [ -0.0009243000000000, -0.0010891700000000, -0.0009084900000000 ] - [ -0.0001574500000000, -0.0004394900000000, 0.0002612600000000 ] - [ -0.0004531100000000, -0.0004030800000000, 0.0001658400000000 ] - [ -0.0002668600000000, -0.0005396800000000, 0.0000448400000000 ] - [ 0.0003833400000000, -0.0003656800000000, -0.0002612900000000 ] - [ 0.0005202700000000, -0.0007880500000000, 0.0000554900000000 ] - [ 0.0005221600000000, -0.0006586900000000, 0.0000641500000000 ] - [ 0.0004208100000000, -0.0005886600000000, -0.0001683300000000 ] - [ -0.0002952100000000, 0.0007924000000000, 0.0001171800000000 ] - [ 0.0008287000000000, 0.0008028200000000, 0.0000206500000000 ] - [ 0.0003248800000000, 0.0005551900000000, 0.0001126300000000 ] - [ 0.0005125200000000, 0.0006360600000000, 0.0000632200000000 ] - [ 0.0009855500000000, 0.0000000000000000, -0.0009773800000000 ] - [ 0.0005762500000000, 0.0000000000000000, 0.0019820800000000 ] - [ 0.0006039500000000, 0.0000000000000000, 0.0008332000000000 ] - [ 0.0006620300000000, 0.0000000000000000, 0.0005421100000000 ] - [ -0.0000046100000000, 0.0000000000000000, -0.0015925100000000 ] - [ 0.0009205000000000, 0.0000000000000000, -0.0007175700000000 ] - [ 0.0004039100000000, 0.0000000000000000, -0.0006051600000000 ] - [ 0.0006985600000000, 0.0000000000000000, -0.0005513600000000 ] - [ -0.0006239000000000, 0.0000000000000000, 0.0012779500000000 ] - [ -0.0005452300000000, 0.0000000000000000, 0.0002673900000000 ] - [ -0.0006765800000000, 0.0000000000000000, 0.0004535000000000 ] - [ -0.0005754400000000, 0.0000000000000000, 0.0008237400000000 ] - [ -0.0008874700000000, 0.0000000000000000, -0.0007175300000000 ] - [ -0.0004128900000000, 0.0000000000000000, -0.0007183700000000 ] - [ -0.0006912200000000, 0.0000000000000000, -0.0005509300000000 ] - [ -0.0005576300000000, 0.0000000000000000, -0.0006572500000000 ] - [ -0.0010725000000000, 0.0000000000000000, 0.0015074900000000 ] - [ 0.0017722000000000, 0.0000000000000000, 0.0010993500000000 ] - [ 0.0001220000000000, 0.0000000000000000, 0.0005853200000000 ] - [ 0.0001470300000000, 0.0000000000000000, 0.0005246300000000 ] - [ 0.0005675800000000, 0.0000000000000000, -0.0004133500000000 ] - [ -0.0004502900000000, 0.0000000000000000, -0.0005427300000000 ] - [ 0.0000405000000000, 0.0000000000000000, -0.0004541400000000 ] - [ -0.0002259700000000, 0.0000000000000000, -0.0005851300000000 ] - [ -0.0004420800000000, 0.0000000000000000, 0.0005781900000000 ] - [ 0.0001477000000000, 0.0000000000000000, 0.0004836700000000 ] - [ -0.0004385800000000, 0.0000000000000000, 0.0007134400000000 ] - [ 0.0001675600000000, 0.0000000000000000, 0.0004209000000000 ] - [ -0.0024843200000000, 0.0000000000000000, -0.0004584700000000 ] - [ 0.0006399600000000, 0.0000000000000000, -0.0007814200000000 ] - [ -0.0004362400000000, 0.0000000000000000, -0.0003628500000000 ] - [ 0.0004870300000000, 0.0000000000000000, -0.0005887700000000 ] - [ -0.0009936400000000, -0.0006565300000000, -0.0001771200000000 ] - [ -0.0006925800000000, 0.0002918800000000, 0.0004545300000000 ] - [ -0.0006497100000000, -0.0002744700000000, 0.0001638900000000 ] - [ -0.0005914800000000, -0.0002616700000000, 0.0000672200000000 ] - [ 0.0141512700000000, 0.0000000000000000, 0.0011684500000000 ] - [ -0.0005382300000000, 0.0000000000000000, -0.0007852300000000 ] - [ 0.0002821400000000, 0.0000000000000000, -0.0008840400000000 ] - [ 0.0001056400000000, 0.0000000000000000, -0.0008497700000000 ] - [ 0.0001623200000000, 0.0000000000000000, 0.0010389700000000 ] - [ -0.0003675500000000, 0.0000000000000000, 0.0007633400000000 ] - [ -0.0001333700000000, 0.0000000000000000, 0.0007826400000000 ] - [ -0.0002399400000000, 0.0000000000000000, 0.0008477400000000 ] - [ -0.0000471000000000, 0.0000000000000000, -0.0008994600000000 ] - [ -0.0003425600000000, 0.0000000000000000, -0.0007841300000000 ] - [ -0.0000471100000000, 0.0000000000000000, -0.0008014800000000 ] - [ -0.0003426900000000, 0.0000000000000000, -0.0008716200000000 ] - [ 0.0004049700000000, 0.0009227900000000, -0.0008778800000000 ] - [ 0.0001894300000000, 0.0000441100000000, 0.0001237000000000 ] - [ 0.0006279600000000, 0.0002725100000000, -0.0000676500000000 ] - [ 0.0005528800000000, 0.0002796500000000, -0.0001767800000000 ] - [ 0.0010191300000000, 0.0001232900000000, 0.0008811600000000 ] - [ 0.0003093100000000, -0.0003951100000000, -0.0000424800000000 ] - [ 0.0007066500000000, -0.0002829000000000, 0.0000200200000000 ] - [ 0.0005098800000000, -0.0002387200000000, 0.0001472700000000 ] - [ 0.0003310800000000, -0.0009328300000000, -0.0005727500000000 ] - [ -0.0008986800000000, -0.0002440800000000, -0.0000274900000000 ] - [ -0.0004805800000000, -0.0002114500000000, -0.0001204700000000 ] - [ -0.0007034700000000, -0.0003065000000000, -0.0001534000000000 ] - [ -0.0009936400000000, 0.0006565300000000, -0.0001771200000000 ] - [ -0.0006925800000000, -0.0002918800000000, 0.0004545300000000 ] - [ -0.0006497100000000, 0.0002744700000000, 0.0001638900000000 ] - [ -0.0005914800000000, 0.0002616700000000, 0.0000672200000000 ] - [ 0.0004049700000000, -0.0009227900000000, -0.0008778800000000 ] - [ 0.0001894300000000, -0.0000441100000000, 0.0001237000000000 ] - [ 0.0006279600000000, -0.0002725100000000, -0.0000676500000000 ] - [ 0.0005528800000000, -0.0002796500000000, -0.0001767800000000 ] - [ 0.0003310800000000, 0.0009328300000000, -0.0005727500000000 ] - [ -0.0008986800000000, 0.0002440800000000, -0.0000274900000000 ] - [ -0.0004805800000000, 0.0002114500000000, -0.0001204700000000 ] - [ -0.0007034700000000, 0.0003065000000000, -0.0001534000000000 ] - [ 0.0010191300000000, -0.0001232900000000, 0.0008811600000000 ] - [ 0.0003093100000000, 0.0003951100000000, -0.0000424800000000 ] - [ 0.0007066500000000, 0.0002829000000000, 0.0000200200000000 ] - [ 0.0005098800000000, 0.0002387200000000, 0.0001472700000000 ] - [ 0.0000291700000000, 0.0000000000000000, 0.0003168500000000 ] - [ 0.0000290200000000, 0.0000000000000000, 0.0013464800000000 ] - [ 0.0001631400000000, 0.0000000000000000, 0.0011599100000000 ] - [ 0.0001622600000000, 0.0000000000000000, 0.0005822200000000 ] - [ -0.0054752200000000, 0.0000000000000000, 0.0015199800000000 ] - [ -0.0026725100000000, 0.0000000000000000, -0.0021634200000000 ] - [ 0.0008534600000000, 0.0000000000000000, -0.0005196300000000 ] - [ 0.0007431400000000, 0.0000000000000000, -0.0003262100000000 ] - [ 0.0007391500000000, 0.0000000000000000, -0.0003673100000000 ] - [ 0.0005106500000000, 0.0000000000000000, 0.0005027800000000 ] - [ 0.0036245200000000, 0.0000000000000000, 0.0009215700000000 ] - [ 0.0002756800000000, 0.0000000000000000, 0.0003417400000000 ] - [ -0.0007613400000000, 0.0000000000000000, -0.0009575200000000 ] - [ -0.0009212800000000, 0.0000000000000000, -0.0000436800000000 ] - [ -0.0004368300000000, 0.0000000000000000, -0.0002754400000000 ] - [ -0.0010977000000000, 0.0000000000000000, -0.0004842000000000 ] - [ -0.0009539500000000, 0.0000000000000000, 0.0004701700000000 ] - [ -0.0014116600000000, 0.0000000000000000, 0.0004096200000000 ] - [ -0.0006710400000000, 0.0000000000000000, 0.0003236000000000 ] - [ -0.0009604400000000, 0.0000000000000000, 0.0003796700000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0016995200000000, -0.0035192500000000, -0.0002123800000000 ] - [ 0.0004313600000000, -0.0005951400000000, 0.0000817700000000 ] - [ 0.0004253900000000, -0.0006042700000000, 0.0000743000000000 ] - [ 0.0004284500000000, -0.0005927400000000, 0.0000804100000000 ] - [ 0.0004378500000000, 0.0005579500000000, -0.0001067200000000 ] - [ 0.0003852000000000, 0.0005519500000000, -0.0001162700000000 ] - [ 0.0004247400000000, 0.0005545800000000, -0.0000710700000000 ] - [ 0.0003756700000000, 0.0005307900000000, -0.0000943400000000 ] - [ -0.0004685700000000, 0.0011595200000000, -0.0007903500000000 ] - [ -0.0004430200000000, 0.0006043000000000, 0.0000656000000000 ] - [ -0.0004106800000000, 0.0005791700000000, 0.0000586600000000 ] - [ -0.0004310400000000, 0.0005965000000000, 0.0000795300000000 ] - [ -0.0008069500000000, 0.0024801400000000, -0.0006266000000000 ] - [ -0.0003941300000000, -0.0006059600000000, -0.0000327500000000 ] - [ -0.0004299800000000, -0.0005926300000000, -0.0000807200000000 ] - [ -0.0004299000000000, -0.0005924000000000, -0.0000801300000000 ] - [ -0.0001028200000000, 0.0036285600000000, 0.0004694200000000 ] - [ -0.0004585900000000, 0.0005696300000000, -0.0001308600000000 ] - [ -0.0004280000000000, 0.0005932600000000, -0.0000792500000000 ] - [ -0.0004294700000000, 0.0005968700000000, -0.0000795000000000 ] - [ -0.0003923300000000, -0.0000263100000000, 0.0009497000000000 ] - [ -0.0004146200000000, -0.0005797400000000, 0.0000951400000000 ] - [ -0.0004500300000000, -0.0006107600000000, 0.0000998800000000 ] - [ -0.0004272600000000, -0.0005904900000000, 0.0000809000000000 ] - [ 0.0004251000000000, -0.0006363200000000, -0.0000518000000000 ] - [ 0.0004682000000000, -0.0006281200000000, -0.0000474800000000 ] - [ 0.0004365100000000, -0.0006375100000000, -0.0000869700000000 ] - [ 0.0004759600000000, -0.0006454100000000, -0.0000688900000000 ] - [ -0.0008411700000000, -0.0022983700000000, 0.0003864300000000 ] - [ 0.0004292000000000, 0.0005976300000000, 0.0000780300000000 ] - [ 0.0004318500000000, 0.0005813200000000, 0.0000863400000000 ] - [ 0.0004278700000000, 0.0005917100000000, 0.0000809400000000 ] - [ 0.0006241800000000, 0.0001396500000000, 0.0006260000000000 ] - [ 0.0006243100000000, 0.0000564100000000, 0.0006278400000000 ] - [ 0.0006251500000000, -0.0000036800000000, 0.0006193300000000 ] - [ 0.0006249400000000, 0.0000142800000000, 0.0006224900000000 ] - [ 0.0006223600000000, -0.0001504600000000, -0.0006334400000000 ] - [ 0.0006244900000000, 0.0000005300000000, -0.0006219900000000 ] - [ 0.0006258200000000, 0.0000688100000000, -0.0006179000000000 ] - [ 0.0006246800000000, 0.0000027200000000, -0.0006226600000000 ] - [ -0.0006235900000000, -0.0002533700000000, 0.0006193800000000 ] - [ -0.0006249400000000, -0.0000142600000000, 0.0006276500000000 ] - [ -0.0006257900000000, -0.0000014800000000, 0.0006161100000000 ] - [ -0.0006245800000000, -0.0000040400000000, 0.0006265600000000 ] - [ -0.0006265000000000, -0.0002440200000000, -0.0006174600000000 ] - [ -0.0006256100000000, -0.0000154200000000, -0.0006170800000000 ] - [ -0.0006253400000000, -0.0000028500000000, -0.0006177200000000 ] - [ -0.0006252500000000, -0.0000004800000000, -0.0006226700000000 ] - [ 0.0000921400000000, 0.0004129200000000, 0.0005257500000000 ] - [ 0.0000928700000000, 0.0001698000000000, 0.0005238100000000 ] - [ 0.0000995900000000, 0.0000109800000000, 0.0005271200000000 ] - [ 0.0000984000000000, 0.0000007700000000, 0.0005266100000000 ] - [ -0.0000978900000000, -0.0000336800000000, -0.0005260400000000 ] - [ -0.0001019300000000, -0.0000904100000000, -0.0005273100000000 ] - [ -0.0000970300000000, -0.0000012500000000, -0.0005251900000000 ] - [ -0.0000985300000000, -0.0000120200000000, -0.0005258800000000 ] - [ -0.0000997500000000, -0.0000887900000000, 0.0005261200000000 ] - [ -0.0000955800000000, -0.0000007900000000, 0.0005249900000000 ] - [ -0.0000988600000000, -0.0001482800000000, 0.0005276600000000 ] - [ -0.0000936500000000, -0.0000038600000000, 0.0005248300000000 ] - [ 0.0001064800000000, 0.0006338700000000, -0.0005280900000000 ] - [ 0.0000984400000000, 0.0000009500000000, -0.0005265300000000 ] - [ 0.0001002700000000, 0.0000356900000000, -0.0005276200000000 ] - [ 0.0000990400000000, 0.0000007400000000, -0.0005269000000000 ] - [ -0.0005338400000000, -0.0002051200000000, 0.0001705700000000 ] - [ -0.0009063300000000, -0.0001118600000000, 0.0001843700000000 ] - [ -0.0006065300000000, -0.0002772800000000, 0.0001247400000000 ] - [ -0.0006097000000000, -0.0002747300000000, 0.0001254700000000 ] - [ 0.0002482200000000, -0.0068632500000000, -0.0008273900000000 ] - [ 0.0001875500000000, 0.0000021700000000, -0.0008369900000000 ] - [ 0.0001875700000000, -0.0000046600000000, -0.0008368300000000 ] - [ 0.0001877400000000, -0.0000007900000000, -0.0008367100000000 ] - [ -0.0001898000000000, 0.0002535100000000, 0.0008371800000000 ] - [ -0.0001866100000000, 0.0000006600000000, 0.0008367100000000 ] - [ -0.0001876200000000, -0.0000027500000000, 0.0008369100000000 ] - [ -0.0001878200000000, 0.0000021600000000, 0.0008369300000000 ] - [ -0.0001874500000000, 0.0000958800000000, -0.0008352100000000 ] - [ -0.0001880700000000, 0.0000030400000000, -0.0008370900000000 ] - [ -0.0001870400000000, 0.0000957600000000, -0.0008380100000000 ] - [ -0.0001879800000000, 0.0000030400000000, -0.0008372200000000 ] - [ 0.0001383000000000, 0.0003622800000000, -0.0005822600000000 ] - [ 0.0006453300000000, 0.0002647600000000, -0.0001456100000000 ] - [ 0.0005817700000000, 0.0002893900000000, -0.0000653500000000 ] - [ 0.0006067700000000, 0.0002766400000000, -0.0001264200000000 ] - [ 0.0003291100000000, -0.0001249400000000, 0.0007091200000000 ] - [ 0.0006092100000000, -0.0002802900000000, 0.0001245900000000 ] - [ 0.0005954200000000, -0.0002949200000000, 0.0001092400000000 ] - [ 0.0006096800000000, -0.0002786500000000, 0.0001257300000000 ] - [ 0.0001628200000000, 0.0020225200000000, 0.0016392800000000 ] - [ -0.0006071600000000, -0.0002752100000000, -0.0001280600000000 ] - [ -0.0006046000000000, -0.0002737300000000, -0.0001343400000000 ] - [ -0.0006080200000000, -0.0002767500000000, -0.0001280700000000 ] - [ -0.0006812700000000, 0.0003479700000000, 0.0000853400000000 ] - [ -0.0003038300000000, 0.0004397000000000, 0.0000692800000000 ] - [ -0.0006083600000000, 0.0002762500000000, 0.0001305600000000 ] - [ -0.0006049300000000, 0.0002790700000000, 0.0001298400000000 ] - [ 0.0010796600000000, -0.0001964300000000, 0.0003309900000000 ] - [ 0.0005694000000000, -0.0002894800000000, -0.0001098400000000 ] - [ 0.0006330800000000, -0.0002645200000000, -0.0001890500000000 ] - [ 0.0006074300000000, -0.0002775300000000, -0.0001286600000000 ] - [ -0.0013870400000000, 0.0025922800000000, -0.0019164900000000 ] - [ -0.0006079800000000, 0.0002780300000000, -0.0001263900000000 ] - [ -0.0006098300000000, 0.0002793000000000, -0.0001206100000000 ] - [ -0.0006066900000000, 0.0002770300000000, -0.0001270300000000 ] - [ 0.0008833700000000, 0.0004315800000000, -0.0004506600000000 ] - [ 0.0006052400000000, 0.0002742900000000, 0.0001302200000000 ] - [ 0.0006196800000000, 0.0002602300000000, 0.0001460500000000 ] - [ 0.0006052200000000, 0.0002751300000000, 0.0001293400000000 ] - [ 0.0001879200000000, -0.0000588300000000, 0.0008369800000000 ] - [ 0.0001875900000000, -0.0000587700000000, 0.0008375400000000 ] - [ 0.0001875600000000, -0.0000073300000000, 0.0008367000000000 ] - [ 0.0001875600000000, -0.0000073800000000, 0.0008364200000000 ] - [ 0.0008207800000000, -0.0040026500000000, -0.0003707100000000 ] - [ 0.0008099600000000, 0.0002411200000000, -0.0003732400000000 ] - [ 0.0008152900000000, -0.0000003300000000, -0.0003675900000000 ] - [ 0.0008138100000000, -0.0000011400000000, -0.0003713600000000 ] - [ 0.0008150200000000, 0.0002448500000000, 0.0003635200000000 ] - [ 0.0008149400000000, -0.0000029700000000, 0.0003689000000000 ] - [ 0.0008077300000000, -0.0013195200000000, 0.0003741500000000 ] - [ 0.0008140300000000, -0.0000285600000000, 0.0003683400000000 ] - [ -0.0008168900000000, 0.0000470500000000, -0.0003693700000000 ] - [ -0.0008133600000000, 0.0000781100000000, -0.0003709500000000 ] - [ -0.0008169900000000, 0.0000255500000000, -0.0003676900000000 ] - [ -0.0008138500000000, 0.0000666700000000, -0.0003709400000000 ] - [ -0.0008052400000000, 0.0041675100000000, 0.0003666900000000 ] - [ -0.0008129800000000, -0.0000051400000000, 0.0003681400000000 ] - [ -0.0008152300000000, 0.0000138100000000, 0.0003673200000000 ] - [ -0.0008143900000000, 0.0000008100000000, 0.0003702400000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0002303200000000, -0.0000395900000000, 0.0008443400000000 ] - [ 0.0004120500000000, -0.0005442900000000, 0.0001471300000000 ] - [ 0.0005235000000000, -0.0008633000000000, -0.0002017500000000 ] - [ 0.0004444000000000, -0.0006319600000000, 0.0000140300000000 ] - [ 0.0005539400000000, 0.0005433400000000, -0.0000951000000000 ] - [ 0.0001902800000000, 0.0003991800000000, -0.0001432100000000 ] - [ 0.0002665900000000, 0.0006458900000000, -0.0001143900000000 ] - [ 0.0006722300000000, 0.0008249600000000, -0.0000692200000000 ] - [ 0.0003829500000000, -0.0003584400000000, -0.0007519900000000 ] - [ -0.0004635900000000, 0.0005963100000000, 0.0001262800000000 ] - [ -0.0011158400000000, 0.0017742100000000, -0.0004687800000000 ] - [ -0.0003999600000000, 0.0005899200000000, 0.0000420700000000 ] - [ -0.0007024200000000, -0.0007216300000000, 0.0009158900000000 ] - [ -0.0004651100000000, -0.0006038400000000, -0.0000116000000000 ] - [ -0.0003659100000000, -0.0004458100000000, -0.0003422900000000 ] - [ -0.0003864000000000, -0.0005045200000000, -0.0001838600000000 ] - [ -0.0007024200000000, 0.0007216300000000, 0.0009158900000000 ] - [ -0.0004651100000000, 0.0006038400000000, -0.0000116000000000 ] - [ -0.0003659100000000, 0.0004458100000000, -0.0003422900000000 ] - [ -0.0003864000000000, 0.0005045200000000, -0.0001838600000000 ] - [ 0.0003829500000000, 0.0003584400000000, -0.0007519900000000 ] - [ -0.0004635900000000, -0.0005963100000000, 0.0001262800000000 ] - [ -0.0011158400000000, -0.0017742100000000, -0.0004687800000000 ] - [ -0.0003999600000000, -0.0005899200000000, 0.0000420700000000 ] - [ 0.0005539400000000, -0.0005433400000000, -0.0000951000000000 ] - [ 0.0001902800000000, -0.0003991800000000, -0.0001432100000000 ] - [ 0.0002665900000000, -0.0006458900000000, -0.0001143900000000 ] - [ 0.0006722300000000, -0.0008249600000000, -0.0000692200000000 ] - [ 0.0002303200000000, 0.0000395900000000, 0.0008443400000000 ] - [ 0.0004120500000000, 0.0005442900000000, 0.0001471300000000 ] - [ 0.0005235000000000, 0.0008633000000000, -0.0002017500000000 ] - [ 0.0004444000000000, 0.0006319600000000, 0.0000140300000000 ] - [ 0.0010117400000000, 0.0000000000000000, 0.0011436100000000 ] - [ 0.0004065800000000, 0.0000000000000000, 0.0011003700000000 ] - [ 0.0004760900000000, 0.0000000000000000, 0.0000381700000000 ] - [ 0.0008067600000000, 0.0000000000000000, 0.0001341700000000 ] - [ 0.0019344600000000, 0.0000000000000000, 0.0061521700000000 ] - [ 0.0006391800000000, 0.0000000000000000, -0.0005968700000000 ] - [ 0.0005183300000000, 0.0000000000000000, -0.0024657600000000 ] - [ 0.0006189900000000, 0.0000000000000000, -0.0006916200000000 ] - [ -0.0007886000000000, 0.0000000000000000, 0.0009813000000000 ] - [ -0.0005788000000000, 0.0000000000000000, 0.0010254100000000 ] - [ -0.0005980900000000, 0.0000000000000000, 0.0003136600000000 ] - [ -0.0006783000000000, 0.0000000000000000, 0.0002938400000000 ] - [ -0.0005982600000000, 0.0000000000000000, 0.0009657200000000 ] - [ -0.0006368400000000, 0.0000000000000000, -0.0004009000000000 ] - [ -0.0005723100000000, 0.0000000000000000, -0.0013983300000000 ] - [ -0.0006102000000000, 0.0000000000000000, -0.0008530000000000 ] - [ 0.0000336500000000, 0.0000000000000000, 0.0011514800000000 ] - [ 0.0004000500000000, 0.0000000000000000, 0.0007121100000000 ] - [ -0.0000284400000000, 0.0000000000000000, 0.0001799700000000 ] - [ -0.0000121000000000, 0.0000000000000000, 0.0003778700000000 ] - [ -0.0000316900000000, 0.0000000000000000, -0.0004368100000000 ] - [ -0.0004621500000000, 0.0000000000000000, -0.0005542300000000 ] - [ -0.0001699800000000, 0.0000000000000000, -0.0006286100000000 ] - [ -0.0001161000000000, 0.0000000000000000, -0.0006955600000000 ] - [ 0.0001863400000000, 0.0000000000000000, 0.0004023400000000 ] - [ -0.0003007700000000, 0.0000000000000000, 0.0005948900000000 ] - [ -0.0003997000000000, 0.0000000000000000, 0.0004999700000000 ] - [ 0.0001195500000000, 0.0000000000000000, 0.0004506100000000 ] - [ 0.0016271300000000, 0.0000000000000000, 0.0002192900000000 ] - [ 0.0001506400000000, 0.0000000000000000, -0.0004916100000000 ] - [ 0.0013385300000000, 0.0000000000000000, -0.0013418700000000 ] - [ 0.0000666000000000, 0.0000000000000000, -0.0005659200000000 ] - [ -0.0005402000000000, -0.0003373200000000, -0.0000177300000000 ] - [ -0.0008030500000000, -0.0000777600000000, -0.0002374400000000 ] - [ -0.0006492600000000, -0.0002500900000000, 0.0002381200000000 ] - [ -0.0005025100000000, -0.0003397600000000, 0.0003857100000000 ] - [ -0.0018475000000000, 0.0000000000000000, -0.0184818100000000 ] - [ 0.0001377400000000, 0.0000000000000000, -0.0009179400000000 ] - [ 0.0002364600000000, 0.0000000000000000, -0.0000924700000000 ] - [ 0.0002027800000000, 0.0000000000000000, -0.0007555200000000 ] - [ -0.0003913300000000, 0.0000000000000000, 0.0006456800000000 ] - [ -0.0001151000000000, 0.0000000000000000, 0.0006788200000000 ] - [ -0.0001356600000000, 0.0000000000000000, 0.0010317300000000 ] - [ -0.0002001900000000, 0.0000000000000000, 0.0009896700000000 ] - [ -0.0001548000000000, 0.0000000000000000, -0.0007889400000000 ] - [ -0.0002243200000000, 0.0000000000000000, -0.0008367800000000 ] - [ -0.0002518300000000, 0.0000000000000000, -0.0007878700000000 ] - [ -0.0001367200000000, 0.0000000000000000, -0.0008362300000000 ] - [ 0.0014114600000000, -0.0002083800000000, -0.0000854900000000 ] - [ 0.0005642200000000, 0.0002352500000000, -0.0001740100000000 ] - [ 0.0003394100000000, 0.0004680500000000, 0.0002549600000000 ] - [ 0.0006547300000000, 0.0002879600000000, -0.0000632900000000 ] - [ -0.0001445600000000, 0.0005093700000000, 0.0006490800000000 ] - [ 0.0006566300000000, -0.0003068300000000, 0.0000693600000000 ] - [ 0.0008902200000000, -0.0005997300000000, 0.0005112500000000 ] - [ 0.0005604800000000, -0.0002462200000000, 0.0001898000000000 ] - [ -0.0000372000000000, 0.0019683300000000, 0.0000126700000000 ] - [ -0.0006569300000000, -0.0002972600000000, -0.0002116700000000 ] - [ -0.0007130800000000, -0.0005074500000000, 0.0001732900000000 ] - [ -0.0005648500000000, -0.0002580000000000, -0.0000445400000000 ] - [ -0.0005402000000000, 0.0003373200000000, -0.0000177300000000 ] - [ -0.0008030500000000, 0.0000777600000000, -0.0002374400000000 ] - [ -0.0006492600000000, 0.0002500900000000, 0.0002381200000000 ] - [ -0.0005025100000000, 0.0003397600000000, 0.0003857100000000 ] - [ 0.0014114600000000, 0.0002083800000000, -0.0000854900000000 ] - [ 0.0005642200000000, -0.0002352500000000, -0.0001740100000000 ] - [ 0.0003394100000000, -0.0004680500000000, 0.0002549600000000 ] - [ 0.0006547300000000, -0.0002879600000000, -0.0000632900000000 ] - [ -0.0000372000000000, -0.0019683300000000, 0.0000126700000000 ] - [ -0.0006569300000000, 0.0002972600000000, -0.0002116700000000 ] - [ -0.0007130800000000, 0.0005074500000000, 0.0001732900000000 ] - [ -0.0005648500000000, 0.0002580000000000, -0.0000445400000000 ] - [ -0.0001445600000000, -0.0005093700000000, 0.0006490800000000 ] - [ 0.0006566300000000, 0.0003068300000000, 0.0000693600000000 ] - [ 0.0008902200000000, 0.0005997300000000, 0.0005112500000000 ] - [ 0.0005604800000000, 0.0002462200000000, 0.0001898000000000 ] - [ 0.0006995500000000, 0.0000000000000000, 0.0007309700000000 ] - [ -0.0003279000000000, 0.0000000000000000, 0.0007316100000000 ] - [ -0.0000661100000000, 0.0000000000000000, 0.0009521200000000 ] - [ 0.0005128100000000, 0.0000000000000000, 0.0009521400000000 ] - [ -0.0005086600000000, 0.0000000000000000, -0.0010277900000000 ] - [ 0.0007939100000000, 0.0000000000000000, -0.0005075700000000 ] - [ 0.0007607300000000, 0.0000000000000000, 0.0001296000000000 ] - [ 0.0008702100000000, 0.0000000000000000, 0.0000123100000000 ] - [ 0.0011806400000000, 0.0000000000000000, 0.0048611100000000 ] - [ 0.0008034800000000, 0.0000000000000000, 0.0003460900000000 ] - [ -0.0011336600000000, 0.0000000000000000, 0.0047416800000000 ] - [ 0.0008101400000000, 0.0000000000000000, 0.0004288000000000 ] - [ -0.0006086500000000, 0.0000000000000000, -0.0005943100000000 ] - [ -0.0010799100000000, 0.0000000000000000, -0.0007002400000000 ] - [ -0.0009891900000000, 0.0000000000000000, -0.0001091800000000 ] - [ -0.0005541500000000, 0.0000000000000000, -0.0001032100000000 ] - [ 0.0001270500000000, 0.0000000000000000, -0.0007364100000000 ] - [ -0.0008148600000000, 0.0000000000000000, 0.0001907200000000 ] - [ -0.0010371900000000, 0.0000000000000000, 0.0009652700000000 ] - [ -0.0007951600000000, 0.0000000000000000, 0.0005568600000000 ]- atom: 69 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ 0.0006273300000000, -0.0011560600000000, -0.0006824600000000 ] - [ 0.0004434900000000, -0.0006430400000000, 0.0000107900000000 ] - [ 0.0003289500000000, -0.0003184300000000, 0.0003613600000000 ] - [ 0.0004095300000000, -0.0005528200000000, 0.0001443900000000 ] - [ 0.0002995900000000, 0.0006399800000000, -0.0000636600000000 ] - [ 0.0006617000000000, 0.0007839900000000, -0.0000154500000000 ] - [ 0.0005859300000000, 0.0005351000000000, -0.0000456900000000 ] - [ 0.0001791500000000, 0.0003572400000000, -0.0000906900000000 ] - [ -0.0012416400000000, 0.0015470800000000, 0.0009164100000000 ] - [ -0.0003897000000000, 0.0005882300000000, 0.0000322500000000 ] - [ 0.0002607300000000, -0.0005871100000000, 0.0006241500000000 ] - [ -0.0004522700000000, 0.0005928300000000, 0.0001178200000000 ] - [ -0.0001496100000000, -0.0004667000000000, -0.0010763900000000 ] - [ -0.0003876500000000, -0.0005797000000000, -0.0001478400000000 ] - [ -0.0004860300000000, -0.0007379700000000, 0.0001834000000000 ] - [ -0.0004685400000000, -0.0006810800000000, 0.0000256000000000 ] - [ -0.0001496100000000, 0.0004667000000000, -0.0010763900000000 ] - [ -0.0003876500000000, 0.0005797000000000, -0.0001478400000000 ] - [ -0.0004860300000000, 0.0007379700000000, 0.0001834000000000 ] - [ -0.0004685400000000, 0.0006810800000000, 0.0000256000000000 ] - [ -0.0012416400000000, -0.0015470800000000, 0.0009164100000000 ] - [ -0.0003897000000000, -0.0005882300000000, 0.0000322500000000 ] - [ 0.0002607300000000, 0.0005871100000000, 0.0006241500000000 ] - [ -0.0004522700000000, -0.0005928300000000, 0.0001178200000000 ] - [ 0.0002995900000000, -0.0006399800000000, -0.0000636600000000 ] - [ 0.0006617000000000, -0.0007839900000000, -0.0000154500000000 ] - [ 0.0005859300000000, -0.0005351000000000, -0.0000456900000000 ] - [ 0.0001791500000000, -0.0003572400000000, -0.0000906900000000 ] - [ 0.0006273300000000, 0.0011560600000000, -0.0006824600000000 ] - [ 0.0004434900000000, 0.0006430400000000, 0.0000107900000000 ] - [ 0.0003289500000000, 0.0003184300000000, 0.0003613600000000 ] - [ 0.0004095300000000, 0.0005528200000000, 0.0001443900000000 ] - [ 0.0002337900000000, 0.0000000000000000, 0.0001581200000000 ] - [ 0.0008348200000000, 0.0000000000000000, 0.0001993700000000 ] - [ 0.0007671900000000, 0.0000000000000000, 0.0012568200000000 ] - [ 0.0004352300000000, 0.0000000000000000, 0.0011593200000000 ] - [ -0.0006107400000000, 0.0000000000000000, -0.0070336800000000 ] - [ 0.0006033700000000, 0.0000000000000000, -0.0006970600000000 ] - [ 0.0007279600000000, 0.0000000000000000, 0.0011745100000000 ] - [ 0.0006236200000000, 0.0000000000000000, -0.0006052000000000 ] - [ -0.0004531200000000, 0.0000000000000000, 0.0003132800000000 ] - [ -0.0006639900000000, 0.0000000000000000, 0.0002662600000000 ] - [ -0.0006442400000000, 0.0000000000000000, 0.0009829400000000 ] - [ -0.0005644400000000, 0.0000000000000000, 0.0010030100000000 ] - [ -0.0006445800000000, 0.0000000000000000, -0.0022690500000000 ] - [ -0.0006063000000000, 0.0000000000000000, -0.0008921700000000 ] - [ -0.0006700300000000, 0.0000000000000000, 0.0001006200000000 ] - [ -0.0006324600000000, 0.0000000000000000, -0.0004402600000000 ] - [ 0.0001714600000000, 0.0000000000000000, -0.0000849700000000 ] - [ -0.0001945700000000, 0.0000000000000000, 0.0003485700000000 ] - [ 0.0002369100000000, 0.0000000000000000, 0.0008823900000000 ] - [ 0.0002211800000000, 0.0000000000000000, 0.0006836500000000 ] - [ -0.0001832800000000, 0.0000000000000000, -0.0006273700000000 ] - [ 0.0002522000000000, 0.0000000000000000, -0.0005083300000000 ] - [ -0.0000404600000000, 0.0000000000000000, -0.0004344600000000 ] - [ -0.0000919600000000, 0.0000000000000000, -0.0003660400000000 ] - [ -0.0003946600000000, 0.0000000000000000, 0.0006610700000000 ] - [ 0.0000920400000000, 0.0000000000000000, 0.0004679200000000 ] - [ 0.0001957200000000, 0.0000000000000000, 0.0005601600000000 ] - [ -0.0003291900000000, 0.0000000000000000, 0.0006113300000000 ] - [ -0.0014682800000000, 0.0000000000000000, -0.0014107400000000 ] - [ 0.0000569200000000, 0.0000000000000000, -0.0005706600000000 ] - [ -0.0011278900000000, 0.0000000000000000, 0.0002746700000000 ] - [ 0.0001408800000000, 0.0000000000000000, -0.0004953400000000 ] - [ -0.0006732600000000, -0.0002122300000000, 0.0002736000000000 ] - [ -0.0004112600000000, -0.0004723100000000, 0.0004939000000000 ] - [ -0.0005649800000000, -0.0003005900000000, 0.0000158100000000 ] - [ -0.0007105800000000, -0.0002111500000000, -0.0001319700000000 ] - [ 0.0021978400000000, 0.0000000000000000, 0.0165157700000000 ] - [ 0.0002381500000000, 0.0000000000000000, -0.0007550100000000 ] - [ 0.0001389600000000, 0.0000000000000000, -0.0015804600000000 ] - [ 0.0001734600000000, 0.0000000000000000, -0.0009173600000000 ] - [ 0.0000163100000000, 0.0000000000000000, 0.0010260000000000 ] - [ -0.0002604700000000, 0.0000000000000000, 0.0009939600000000 ] - [ -0.0002406300000000, 0.0000000000000000, 0.0006410800000000 ] - [ -0.0001757100000000, 0.0000000000000000, 0.0006833900000000 ] - [ -0.0002216600000000, 0.0000000000000000, -0.0008850800000000 ] - [ -0.0001517000000000, 0.0000000000000000, -0.0008373000000000 ] - [ -0.0001239200000000, 0.0000000000000000, -0.0008841800000000 ] - [ -0.0002391200000000, 0.0000000000000000, -0.0008369000000000 ] - [ -0.0001932900000000, 0.0007558100000000, -0.0001705300000000 ] - [ 0.0006506200000000, 0.0003155700000000, -0.0000813900000000 ] - [ 0.0008756300000000, 0.0000817700000000, -0.0005103400000000 ] - [ 0.0005588100000000, 0.0002625400000000, -0.0001903600000000 ] - [ 0.0013522700000000, -0.0010527700000000, -0.0003907100000000 ] - [ 0.0005571300000000, -0.0002443800000000, 0.0001839800000000 ] - [ 0.0003224200000000, 0.0000496900000000, -0.0002578800000000 ] - [ 0.0006540700000000, -0.0003042600000000, 0.0000644500000000 ] - [ -0.0011789300000000, -0.0025282300000000, -0.0002591200000000 ] - [ -0.0005568300000000, -0.0002531000000000, -0.0000419200000000 ] - [ -0.0005015300000000, -0.0000439200000000, -0.0004273200000000 ] - [ -0.0006489200000000, -0.0002926200000000, -0.0002099700000000 ] - [ -0.0006732600000000, 0.0002122300000000, 0.0002736000000000 ] - [ -0.0004112600000000, 0.0004723100000000, 0.0004939000000000 ] - [ -0.0005649800000000, 0.0003005900000000, 0.0000158100000000 ] - [ -0.0007105800000000, 0.0002111500000000, -0.0001319700000000 ] - [ -0.0001932900000000, -0.0007558100000000, -0.0001705300000000 ] - [ 0.0006506200000000, -0.0003155700000000, -0.0000813900000000 ] - [ 0.0008756300000000, -0.0000817700000000, -0.0005103400000000 ] - [ 0.0005588100000000, -0.0002625400000000, -0.0001903600000000 ] - [ -0.0011789300000000, 0.0025282300000000, -0.0002591200000000 ] - [ -0.0005568300000000, 0.0002531000000000, -0.0000419200000000 ] - [ -0.0005015300000000, 0.0000439200000000, -0.0004273200000000 ] - [ -0.0006489200000000, 0.0002926200000000, -0.0002099700000000 ] - [ 0.0013522700000000, 0.0010527700000000, -0.0003907100000000 ] - [ 0.0005571300000000, 0.0002443800000000, 0.0001839800000000 ] - [ 0.0003224200000000, -0.0000496900000000, -0.0002578800000000 ] - [ 0.0006540700000000, 0.0003042600000000, 0.0000644500000000 ] - [ -0.0003251400000000, 0.0000000000000000, 0.0009431300000000 ] - [ 0.0007064100000000, 0.0000000000000000, 0.0009438200000000 ] - [ 0.0004411400000000, 0.0000000000000000, 0.0007198800000000 ] - [ -0.0001354200000000, 0.0000000000000000, 0.0007200800000000 ] - [ 0.0021380000000000, 0.0000000000000000, 0.0002491100000000 ] - [ 0.0008153300000000, 0.0000000000000000, -0.0002643600000000 ] - [ 0.0008564700000000, 0.0000000000000000, -0.0008933900000000 ] - [ 0.0007489500000000, 0.0000000000000000, -0.0007774300000000 ] - [ 0.0004432300000000, 0.0000000000000000, -0.0040473900000000 ] - [ 0.0008137900000000, 0.0000000000000000, 0.0004172400000000 ] - [ 0.0027506400000000, 0.0000000000000000, -0.0040385100000000 ] - [ 0.0008083600000000, 0.0000000000000000, 0.0003368900000000 ] - [ -0.0010102600000000, 0.0000000000000000, -0.0001679300000000 ] - [ -0.0005357300000000, 0.0000000000000000, -0.0000621000000000 ] - [ -0.0006277800000000, 0.0000000000000000, -0.0006564200000000 ] - [ -0.0010621400000000, 0.0000000000000000, -0.0006623900000000 ] - [ -0.0017514500000000, 0.0000000000000000, 0.0015154800000000 ] - [ -0.0008009700000000, 0.0000000000000000, 0.0005767400000000 ] - [ -0.0005806900000000, 0.0000000000000000, -0.0002009500000000 ] - [ -0.0008220300000000, 0.0000000000000000, 0.0002074600000000 ]- atom: 113 displacement: [ 0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ -0.0002842500000000, 0.0000236000000000, 0.0000673300000000 ] - [ 0.0001197600000000, -0.0017640000000000, 0.0001611500000000 ] - [ 0.0003863400000000, -0.0005053100000000, 0.0001949900000000 ] - [ 0.0004297900000000, -0.0007352000000000, 0.0000032500000000 ] - [ 0.0009362300000000, 0.0011717700000000, 0.0000466900000000 ] - [ 0.0001217200000000, 0.0004363100000000, -0.0001998500000000 ] - [ 0.0013804700000000, 0.0015758000000000, 0.0002093900000000 ] - [ 0.0000668600000000, 0.0004261000000000, -0.0000989700000000 ] - [ -0.0008490300000000, 0.0008329200000000, 0.0001173900000000 ] - [ -0.0010055700000000, 0.0005642100000000, -0.0012959800000000 ] - [ -0.0006476900000000, 0.0008532100000000, -0.0001162300000000 ] - [ -0.0001320300000000, 0.0001988300000000, 0.0003028700000000 ] - [ 0.0526501200000000, 0.0552333100000000, -0.0187205800000000 ] - [ -0.0010603300000000, -0.0007973000000000, 0.0000676800000000 ] - [ -0.0002133700000000, -0.0004290100000000, -0.0000839400000000 ] - [ -0.0006125400000000, -0.0006620100000000, -0.0000417500000000 ] - [ 0.0526501200000000, -0.0552333100000000, -0.0187205800000000 ] - [ -0.0010603300000000, 0.0007973000000000, 0.0000676800000000 ] - [ -0.0002133700000000, 0.0004290100000000, -0.0000839400000000 ] - [ -0.0006125400000000, 0.0006620100000000, -0.0000417500000000 ] - [ -0.0008490300000000, -0.0008329200000000, 0.0001173900000000 ] - [ -0.0010055700000000, -0.0005642100000000, -0.0012959800000000 ] - [ -0.0006476900000000, -0.0008532100000000, -0.0001162300000000 ] - [ -0.0001320300000000, -0.0001988300000000, 0.0003028700000000 ] - [ 0.0009362300000000, -0.0011717700000000, 0.0000466900000000 ] - [ 0.0001217200000000, -0.0004363100000000, -0.0001998500000000 ] - [ 0.0013804700000000, -0.0015758000000000, 0.0002093900000000 ] - [ 0.0000668600000000, -0.0004261000000000, -0.0000989700000000 ] - [ -0.0002842500000000, -0.0000236000000000, 0.0000673300000000 ] - [ 0.0001197600000000, 0.0017640000000000, 0.0001611500000000 ] - [ 0.0003863400000000, 0.0005053100000000, 0.0001949900000000 ] - [ 0.0004297900000000, 0.0007352000000000, 0.0000032500000000 ] - [ 0.0208566100000000, 0.0000000000000000, -0.0124527900000000 ] - [ 0.0003523800000000, 0.0000000000000000, 0.0007164900000000 ] - [ 0.0009249000000000, 0.0000000000000000, 0.0005079100000000 ] - [ 0.0003905800000000, 0.0000000000000000, 0.0006667900000000 ] - [ -0.0004048300000000, 0.0000000000000000, -0.0027446900000000 ] - [ 0.0002385000000000, 0.0000000000000000, 0.0014098600000000 ] - [ 0.0006015600000000, 0.0000000000000000, 0.0000625100000000 ] - [ 0.0004586200000000, 0.0000000000000000, -0.0017884800000000 ] - [ 0.0000982200000000, 0.0000000000000000, 0.0037199100000000 ] - [ -0.0009396200000000, 0.0000000000000000, 0.0006004100000000 ] - [ -0.0004992200000000, 0.0000000000000000, 0.0007447100000000 ] - [ -0.0007328300000000, 0.0000000000000000, 0.0006460100000000 ] - [ -0.0009831000000000, 0.0000000000000000, -0.0001147600000000 ] - [ -0.0005563700000000, 0.0000000000000000, -0.0009485500000000 ] - [ -0.0006454200000000, 0.0000000000000000, -0.0006786200000000 ] - [ -0.0006052600000000, 0.0000000000000000, -0.0005513600000000 ] - [ -0.0010937000000000, 0.0000000000000000, 0.0001984000000000 ] - [ 0.1249251300000000, 0.0000000000000000, 0.0467868400000000 ] - [ -0.0002940800000000, 0.0000000000000000, 0.0004111600000000 ] - [ 0.0005174700000000, 0.0000000000000000, 0.0006830600000000 ] - [ 0.0018492300000000, 0.0000000000000000, -0.0001460500000000 ] - [ -0.0012809300000000, 0.0000000000000000, -0.0009829600000000 ] - [ 0.0002858100000000, 0.0000000000000000, -0.0003630700000000 ] - [ -0.0003087700000000, 0.0000000000000000, -0.0005443500000000 ] - [ 0.0007461500000000, 0.0000000000000000, -0.0002424700000000 ] - [ -0.0006248000000000, 0.0000000000000000, 0.0007906700000000 ] - [ -0.0001002000000000, 0.0000000000000000, 0.0008081500000000 ] - [ -0.0006552400000000, 0.0000000000000000, 0.0006292300000000 ] - [ -0.0009312000000000, 0.0000000000000000, 0.0006312600000000 ] - [ -0.0007642800000000, 0.0000000000000000, -0.0005257700000000 ] - [ 0.0010543200000000, 0.0000000000000000, -0.0009443400000000 ] - [ -0.0005039500000000, 0.0000000000000000, -0.0001951300000000 ] - [ -0.0035861700000000, 0.0032151200000000, 0.0012204700000000 ] - [ -0.0001440600000000, -0.0001293700000000, 0.0000673900000000 ] - [ -0.0007545700000000, -0.0002403200000000, 0.0000628800000000 ] - [ -0.0004588500000000, -0.0002626600000000, 0.0001446900000000 ] - [ 0.0064699500000000, 0.0000000000000000, -0.0021768700000000 ] - [ 0.0036741400000000, 0.0000000000000000, -0.0008513500000000 ] - [ 0.0001457600000000, 0.0000000000000000, -0.0008877900000000 ] - [ 0.0002562600000000, 0.0000000000000000, -0.0007809600000000 ] - [ -0.0000522100000000, 0.0000000000000000, 0.0017774400000000 ] - [ 0.0004117800000000, 0.0000000000000000, 0.0008345500000000 ] - [ -0.0003292400000000, 0.0000000000000000, 0.0006121800000000 ] - [ -0.0000395900000000, 0.0000000000000000, 0.0008542900000000 ] - [ -0.0000797700000000, 0.0000000000000000, -0.0005670900000000 ] - [ -0.0002369700000000, 0.0000000000000000, -0.0010407200000000 ] - [ 0.0000965100000000, 0.0000000000000000, -0.0010950200000000 ] - [ -0.0005613300000000, 0.0000000000000000, -0.0006613400000000 ] - [ 0.0010013900000000, 0.0004254500000000, 0.0000121300000000 ] - [ 0.0021867200000000, 0.0037569700000000, -0.0038927600000000 ] - [ 0.0008262000000000, 0.0002333300000000, -0.0002562900000000 ] - [ 0.0002186100000000, 0.0004598900000000, 0.0000263500000000 ] - [ 0.0011539500000000, 0.0009198000000000, 0.0035425700000000 ] - [ 0.0009513600000000, -0.0003661800000000, 0.0000553600000000 ] - [ 0.0004549800000000, -0.0002941600000000, -0.0001697000000000 ] - [ 0.0009054900000000, -0.0004369800000000, 0.0002684800000000 ] - [ 0.0004667500000000, -0.0008692800000000, -0.0009357500000000 ] - [ -0.0000735400000000, 0.0000746300000000, -0.0000235600000000 ] - [ -0.0007288100000000, -0.0003260500000000, -0.0000784300000000 ] - [ -0.0004800100000000, -0.0001590300000000, -0.0001923600000000 ] - [ -0.0035861700000000, -0.0032151200000000, 0.0012204700000000 ] - [ -0.0001440600000000, 0.0001293700000000, 0.0000673900000000 ] - [ -0.0007545700000000, 0.0002403200000000, 0.0000628800000000 ] - [ -0.0004588500000000, 0.0002626600000000, 0.0001446900000000 ] - [ 0.0010013900000000, -0.0004254500000000, 0.0000121300000000 ] - [ 0.0021867200000000, -0.0037569700000000, -0.0038927600000000 ] - [ 0.0008262000000000, -0.0002333300000000, -0.0002562900000000 ] - [ 0.0002186100000000, -0.0004598900000000, 0.0000263500000000 ] - [ 0.0004667500000000, 0.0008692800000000, -0.0009357500000000 ] - [ -0.0000735400000000, -0.0000746300000000, -0.0000235600000000 ] - [ -0.0007288100000000, 0.0003260500000000, -0.0000784300000000 ] - [ -0.0004800100000000, 0.0001590300000000, -0.0001923600000000 ] - [ 0.0011539500000000, -0.0009198000000000, 0.0035425700000000 ] - [ 0.0009513600000000, 0.0003661800000000, 0.0000553600000000 ] - [ 0.0004549800000000, 0.0002941600000000, -0.0001697000000000 ] - [ 0.0009054900000000, 0.0004369800000000, 0.0002684800000000 ] - [ -0.0026211500000000, 0.0000000000000000, 0.0027740900000000 ] - [ 0.0007233900000000, 0.0000000000000000, 0.0008388200000000 ] - [ 0.0002591400000000, 0.0000000000000000, 0.0004650900000000 ] - [ 0.0004895300000000, 0.0000000000000000, 0.0008458500000000 ] - [ -0.2565182400000000, 0.0000000000000000, 0.0031126100000000 ] - [ 0.0018067800000000, 0.0000000000000000, -0.0003339000000000 ] - [ 0.0004059700000000, 0.0000000000000000, -0.0004573700000000 ] - [ 0.0011632900000000, 0.0000000000000000, -0.0003392800000000 ] - [ 0.0005058600000000, 0.0000000000000000, 0.0022072800000000 ] - [ 0.0005143700000000, 0.0000000000000000, -0.0010591600000000 ] - [ 0.0020081900000000, 0.0000000000000000, -0.0002101000000000 ] - [ 0.0020064000000000, 0.0000000000000000, 0.0012962600000000 ] - [ -0.0019084300000000, 0.0000000000000000, -0.0029054200000000 ] - [ -0.0002806700000000, 0.0000000000000000, -0.0003785500000000 ] - [ -0.0019189300000000, 0.0000000000000000, -0.0002311900000000 ] - [ -0.0002800100000000, 0.0000000000000000, -0.0003997700000000 ] - [ 0.0003109300000000, 0.0000000000000000, 0.0000026300000000 ] - [ -0.0024885800000000, 0.0000000000000000, 0.0003702200000000 ] - [ -0.0006226500000000, 0.0000000000000000, 0.0004084200000000 ] - [ -0.0011379600000000, 0.0000000000000000, 0.0002563400000000 ]- atom: 113 displacement: [ -0.0100000000000000, 0.0000000000000000, 0.0000000000000000 ] forces: - [ 0.0011138000000000, -0.0011821200000000, 0.0000882700000000 ] - [ 0.0007281900000000, 0.0005962000000000, -0.0000032900000000 ] - [ 0.0004638800000000, -0.0006766800000000, -0.0000374300000000 ] - [ 0.0004152600000000, -0.0004390900000000, 0.0001579100000000 ] - [ -0.0000868200000000, 0.0000180200000000, -0.0002020500000000 ] - [ 0.0007251600000000, 0.0007405400000000, 0.0000394300000000 ] - [ -0.0005389300000000, -0.0004047200000000, -0.0003696500000000 ] - [ 0.0007808900000000, 0.0007507200000000, -0.0000605600000000 ] - [ 0.0000018200000000, 0.0003458700000000, 0.0000433500000000 ] - [ 0.0001599700000000, 0.0006188100000000, 0.0014664000000000 ] - [ -0.0002010700000000, 0.0003273100000000, 0.0002741800000000 ] - [ -0.0007230100000000, 0.0009801400000000, -0.0001432500000000 ] - [ -0.0532086000000000, -0.0549896200000000, 0.0179594300000000 ] - [ 0.0002167300000000, -0.0003760000000000, -0.0002296300000000 ] - [ -0.0006354400000000, -0.0007531600000000, -0.0000734500000000 ] - [ -0.0002351900000000, -0.0005150100000000, -0.0001177000000000 ] - [ -0.0532086000000000, 0.0549896200000000, 0.0179594300000000 ] - [ 0.0002167300000000, 0.0003760000000000, -0.0002296300000000 ] - [ -0.0006354400000000, 0.0007531600000000, -0.0000734500000000 ] - [ -0.0002351900000000, 0.0005150100000000, -0.0001177000000000 ] - [ 0.0000018200000000, -0.0003458700000000, 0.0000433500000000 ] - [ 0.0001599700000000, -0.0006188100000000, 0.0014664000000000 ] - [ -0.0002010700000000, -0.0003273100000000, 0.0002741800000000 ] - [ -0.0007230100000000, -0.0009801400000000, -0.0001432500000000 ] - [ -0.0000868200000000, -0.0000180200000000, -0.0002020500000000 ] - [ 0.0007251600000000, -0.0007405400000000, 0.0000394300000000 ] - [ -0.0005389300000000, 0.0004047200000000, -0.0003696500000000 ] - [ 0.0007808900000000, -0.0007507200000000, -0.0000605600000000 ] - [ 0.0011138000000000, 0.0011821200000000, 0.0000882700000000 ] - [ 0.0007281900000000, -0.0005962000000000, -0.0000032900000000 ] - [ 0.0004638800000000, 0.0006766800000000, -0.0000374300000000 ] - [ 0.0004152600000000, 0.0004390900000000, 0.0001579100000000 ] - [ -0.0196645900000000, 0.0000000000000000, 0.0134105700000000 ] - [ 0.0008866100000000, 0.0000000000000000, 0.0005993000000000 ] - [ 0.0003147800000000, 0.0000000000000000, 0.0008047400000000 ] - [ 0.0008501600000000, 0.0000000000000000, 0.0006467700000000 ] - [ 0.0016322700000000, 0.0000000000000000, 0.0014092300000000 ] - [ 0.0010029900000000, 0.0000000000000000, -0.0027449100000000 ] - [ 0.0006394100000000, 0.0000000000000000, -0.0013722600000000 ] - [ 0.0007821100000000, 0.0000000000000000, 0.0004864500000000 ] - [ -0.0013459500000000, 0.0000000000000000, -0.0024378200000000 ] - [ -0.0003005500000000, 0.0000000000000000, 0.0007165800000000 ] - [ -0.0007414900000000, 0.0000000000000000, 0.0005693400000000 ] - [ -0.0005086100000000, 0.0000000000000000, 0.0006634000000000 ] - [ -0.0002554100000000, 0.0000000000000000, -0.0011885500000000 ] - [ -0.0006840900000000, 0.0000000000000000, -0.0003636500000000 ] - [ -0.0005946300000000, 0.0000000000000000, -0.0006316500000000 ] - [ -0.0006367100000000, 0.0000000000000000, -0.0007609500000000 ] - [ 0.0012941600000000, 0.0000000000000000, 0.0008625800000000 ] - [ -0.1297897900000000, 0.0000000000000000, -0.0484271200000000 ] - [ 0.0005006100000000, 0.0000000000000000, 0.0006507000000000 ] - [ -0.0003082300000000, 0.0000000000000000, 0.0003835700000000 ] - [ -0.0020694100000000, 0.0000000000000000, -0.0009225800000000 ] - [ 0.0010729600000000, 0.0000000000000000, -0.0000781400000000 ] - [ -0.0004951800000000, 0.0000000000000000, -0.0006994700000000 ] - [ 0.0000997200000000, 0.0000000000000000, -0.0005187000000000 ] - [ -0.0009492800000000, 0.0000000000000000, 0.0013038700000000 ] - [ 0.0004174600000000, 0.0000000000000000, 0.0002705100000000 ] - [ -0.0001060100000000, 0.0000000000000000, 0.0002533600000000 ] - [ 0.0004499800000000, 0.0000000000000000, 0.0004328900000000 ] - [ 0.0011415300000000, 0.0000000000000000, -0.0016920700000000 ] - [ 0.0009746500000000, 0.0000000000000000, -0.0005357800000000 ] - [ -0.0008356300000000, 0.0000000000000000, -0.0001254100000000 ] - [ 0.0007057700000000, 0.0000000000000000, -0.0008670000000000 ] - [ 0.0023843500000000, -0.0037931400000000, -0.0009821500000000 ] - [ -0.0010702400000000, -0.0004179800000000, 0.0001853600000000 ] - [ -0.0004578200000000, -0.0003064300000000, 0.0001892200000000 ] - [ -0.0007554000000000, -0.0002848500000000, 0.0001098200000000 ] - [ -0.0060032000000000, 0.0000000000000000, 0.0004748800000000 ] - [ -0.0033270600000000, 0.0000000000000000, -0.0008249800000000 ] - [ 0.0002282100000000, 0.0000000000000000, -0.0007878900000000 ] - [ 0.0001197900000000, 0.0000000000000000, -0.0008968200000000 ] - [ -0.0003280200000000, 0.0000000000000000, -0.0001052500000000 ] - [ -0.0007878600000000, 0.0000000000000000, 0.0008425300000000 ] - [ -0.0000470800000000, 0.0000000000000000, 0.0010649000000000 ] - [ -0.0003366100000000, 0.0000000000000000, 0.0008222400000000 ] - [ -0.0002982200000000, 0.0000000000000000, -0.0011070800000000 ] - [ -0.0001356700000000, 0.0000000000000000, -0.0006341200000000 ] - [ -0.0004741200000000, 0.0000000000000000, -0.0005825800000000 ] - [ 0.0001888300000000, 0.0000000000000000, -0.0010172800000000 ] - [ 0.0002123900000000, 0.0001217100000000, -0.0002649900000000 ] - [ -0.0009808900000000, -0.0032475300000000, 0.0036831800000000 ] - [ 0.0003862400000000, 0.0003136900000000, 0.0000020600000000 ] - [ 0.0009971200000000, 0.0000864300000000, -0.0002818500000000 ] - [ 0.0000548300000000, -0.0014507000000000, -0.0032677300000000 ] - [ 0.0002623500000000, -0.0001811800000000, 0.0002004700000000 ] - [ 0.0007571400000000, -0.0002516500000000, 0.0004248400000000 ] - [ 0.0003072300000000, -0.0001095400000000, -0.0000156100000000 ] - [ -0.0016918500000000, 0.0003196600000000, 0.0006787700000000 ] - [ -0.0011424200000000, -0.0006235000000000, -0.0002312200000000 ] - [ -0.0004873300000000, -0.0002226700000000, -0.0001765300000000 ] - [ -0.0007333100000000, -0.0003877400000000, -0.0000618800000000 ] - [ 0.0023843500000000, 0.0037931400000000, -0.0009821500000000 ] - [ -0.0010702400000000, 0.0004179800000000, 0.0001853600000000 ] - [ -0.0004578200000000, 0.0003064300000000, 0.0001892200000000 ] - [ -0.0007554000000000, 0.0002848500000000, 0.0001098200000000 ] - [ 0.0002123900000000, -0.0001217100000000, -0.0002649900000000 ] - [ -0.0009808900000000, 0.0032475300000000, 0.0036831800000000 ] - [ 0.0003862400000000, -0.0003136900000000, 0.0000020600000000 ] - [ 0.0009971200000000, -0.0000864300000000, -0.0002818500000000 ] - [ -0.0016918500000000, -0.0003196600000000, 0.0006787700000000 ] - [ -0.0011424200000000, 0.0006235000000000, -0.0002312200000000 ] - [ -0.0004873300000000, 0.0002226700000000, -0.0001765300000000 ] - [ -0.0007333100000000, 0.0003877400000000, -0.0000618800000000 ] - [ 0.0000548300000000, 0.0014507000000000, -0.0032677300000000 ] - [ 0.0002623500000000, 0.0001811800000000, 0.0002004700000000 ] - [ 0.0007571400000000, 0.0002516500000000, 0.0004248400000000 ] - [ 0.0003072300000000, 0.0001095400000000, -0.0000156100000000 ] - [ 0.0030113000000000, 0.0000000000000000, -0.0011125700000000 ] - [ -0.0003498900000000, 0.0000000000000000, 0.0008369500000000 ] - [ 0.0001145300000000, 0.0000000000000000, 0.0011979100000000 ] - [ -0.0001139700000000, 0.0000000000000000, 0.0008316900000000 ] - [ 0.2627184100000000, 0.0000000000000000, 0.0003646000000000 ] - [ -0.0001951500000000, 0.0000000000000000, -0.0004317400000000 ] - [ 0.0012093300000000, 0.0000000000000000, -0.0003107500000000 ] - [ 0.0004503200000000, 0.0000000000000000, -0.0004281600000000 ] - [ 0.0011020100000000, 0.0000000000000000, -0.0014226200000000 ] - [ 0.0011105700000000, 0.0000000000000000, 0.0018383100000000 ] - [ -0.0003960300000000, 0.0000000000000000, 0.0009753300000000 ] - [ -0.0003973000000000, 0.0000000000000000, -0.0005366200000000 ] - [ 0.0003007100000000, 0.0000000000000000, 0.0021630200000000 ] - [ -0.0013354200000000, 0.0000000000000000, -0.0003909200000000 ] - [ 0.0002917400000000, 0.0000000000000000, -0.0005374600000000 ] - [ -0.0013346300000000, 0.0000000000000000, -0.0003648600000000 ] - [ -0.0019208700000000, 0.0000000000000000, 0.0007492800000000 ] - [ 0.0008872000000000, 0.0000000000000000, 0.0003971700000000 ] - [ -0.0009962500000000, 0.0000000000000000, 0.0003583800000000 ] - [ -0.0004732600000000, 0.0000000000000000, 0.0005092400000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0028577700000000, -0.0036295500000000, -0.0003481900000000 ] - [ 0.0004341700000000, -0.0005240800000000, 0.0000897100000000 ] - [ 0.0004218100000000, -0.0005895400000000, 0.0000788700000000 ] - [ 0.0004244100000000, -0.0005867200000000, 0.0000828500000000 ] - [ 0.0004983500000000, 0.0008486500000000, -0.0002621400000000 ] - [ 0.0004075700000000, 0.0005746000000000, -0.0000993500000000 ] - [ 0.0002824100000000, 0.0000484400000000, 0.0000746500000000 ] - [ 0.0004039900000000, 0.0005631600000000, -0.0000867500000000 ] - [ -0.0003860800000000, 0.0006766300000000, -0.0000269500000000 ] - [ -0.0003017800000000, 0.0005583700000000, 0.0003366000000000 ] - [ -0.0004152400000000, 0.0006413000000000, 0.0000578100000000 ] - [ -0.0004396000000000, 0.0006219100000000, 0.0001215600000000 ] - [ 0.0539893400000000, 0.1109046200000000, -0.0305940500000000 ] - [ -0.0004301600000000, -0.0006026000000000, -0.0000736300000000 ] - [ -0.0004206300000000, -0.0005761100000000, -0.0000795600000000 ] - [ -0.0004246100000000, -0.0005868800000000, -0.0000798600000000 ] - [ -0.0520465800000000, 0.1083874800000000, 0.0289002600000000 ] - [ -0.0004241500000000, 0.0005781300000000, -0.0000849000000000 ] - [ -0.0004208800000000, 0.0005887600000000, -0.0000822500000000 ] - [ -0.0004255500000000, 0.0005898000000000, -0.0000797800000000 ] - [ -0.0004608000000000, -0.0004899400000000, 0.0001913800000000 ] - [ -0.0005456000000000, -0.0006090600000000, -0.0001833400000000 ] - [ -0.0004291800000000, -0.0005250000000000, 0.0001048000000000 ] - [ -0.0004074800000000, -0.0005450200000000, 0.0000415300000000 ] - [ 0.0003456900000000, -0.0003213800000000, 0.0000955600000000 ] - [ 0.0004435600000000, -0.0006061200000000, -0.0000598900000000 ] - [ 0.0005678900000000, -0.0011252400000000, -0.0002323800000000 ] - [ 0.0004473700000000, -0.0006193200000000, -0.0000712700000000 ] - [ -0.0020307000000000, -0.0024656200000000, 0.0005046900000000 ] - [ 0.0004191500000000, 0.0006595400000000, 0.0000685100000000 ] - [ 0.0004198600000000, 0.0005753400000000, 0.0000858900000000 ] - [ 0.0004256400000000, 0.0005913400000000, 0.0000765400000000 ] - [ 0.0007313600000000, 0.0188411800000000, 0.0004765800000000 ] - [ 0.0006183100000000, 0.0000164900000000, 0.0006639100000000 ] - [ 0.0006189200000000, 0.0000154400000000, 0.0006749300000000 ] - [ 0.0006182600000000, 0.0000057000000000, 0.0006665900000000 ] - [ 0.0006175000000000, 0.0004703900000000, -0.0006765700000000 ] - [ 0.0006166200000000, 0.0000611100000000, -0.0006667700000000 ] - [ 0.0006179700000000, -0.0000268000000000, -0.0006717900000000 ] - [ 0.0006181600000000, -0.0000679300000000, -0.0006736700000000 ] - [ -0.0006172000000000, -0.0017724300000000, 0.0006986000000000 ] - [ -0.0006199700000000, 0.0000060200000000, 0.0006634700000000 ] - [ -0.0006182400000000, -0.0000402300000000, 0.0006748700000000 ] - [ -0.0006195000000000, -0.0000028500000000, 0.0006638300000000 ] - [ -0.0006201300000000, -0.0001625800000000, -0.0006669200000000 ] - [ -0.0006167700000000, -0.0003007900000000, -0.0006663400000000 ] - [ -0.0006185200000000, -0.0000010100000000, -0.0006723100000000 ] - [ -0.0006188800000000, -0.0000032300000000, -0.0006652300000000 ] - [ 0.0001008800000000, 0.0000526000000000, 0.0005314200000000 ] - [ 0.0003062800000000, 0.0213456000000000, 0.0005226200000000 ] - [ 0.0001010000000000, 0.0000031500000000, 0.0005315100000000 ] - [ 0.0000969600000000, 0.0000091000000000, 0.0005304900000000 ] - [ -0.0000872600000000, -0.0013429800000000, -0.0005309900000000 ] - [ -0.0001053400000000, -0.0001776200000000, -0.0005328600000000 ] - [ -0.0001000500000000, -0.0000163300000000, -0.0005306400000000 ] - [ -0.0000959800000000, -0.0000039700000000, -0.0005286300000000 ] - [ -0.0000919700000000, -0.0004479700000000, 0.0005251800000000 ] - [ -0.0001041400000000, 0.0000008300000000, 0.0005325100000000 ] - [ -0.0000990900000000, -0.0002803800000000, 0.0005309900000000 ] - [ -0.0001066900000000, 0.0000059900000000, 0.0005334800000000 ] - [ 0.0000844900000000, 0.0014913200000000, -0.0005163700000000 ] - [ 0.0000949800000000, -0.0000055200000000, -0.0005297900000000 ] - [ 0.0001082500000000, 0.0001147800000000, -0.0005289800000000 ] - [ 0.0000957300000000, 0.0000003600000000, -0.0005286400000000 ] - [ 0.0029607500000000, 0.0025058600000000, 0.0030043900000000 ] - [ -0.0006598800000000, -0.0002346600000000, 0.0001202000000000 ] - [ -0.0006024100000000, -0.0002727700000000, 0.0001187100000000 ] - [ -0.0006059000000000, -0.0002709700000000, 0.0001262400000000 ] - [ 0.0002001500000000, -0.0040026800000000, -0.0008379300000000 ] - [ 0.0001950300000000, 0.0002407600000000, -0.0008412600000000 ] - [ 0.0001878100000000, -0.0000004200000000, -0.0008396000000000 ] - [ 0.0001886100000000, -0.0000012500000000, -0.0008386700000000 ] - [ -0.0001838600000000, 0.0041680800000000, 0.0008466600000000 ] - [ -0.0001875900000000, -0.0000049500000000, 0.0008393700000000 ] - [ -0.0001883700000000, 0.0000138400000000, 0.0008365600000000 ] - [ -0.0001885200000000, 0.0000013000000000, 0.0008389400000000 ] - [ -0.0001885200000000, 0.0000778000000000, -0.0008369500000000 ] - [ -0.0001884600000000, 0.0000466700000000, -0.0008381800000000 ] - [ -0.0001869200000000, 0.0000663100000000, -0.0008393600000000 ] - [ -0.0001900300000000, 0.0000255100000000, -0.0008398700000000 ] - [ 0.0004834900000000, 0.0001800500000000, -0.0001974300000000 ] - [ 0.0039159300000000, 0.0016463100000000, -0.0025120200000000 ] - [ 0.0005986000000000, 0.0002778600000000, -0.0000994700000000 ] - [ 0.0006365700000000, 0.0002545500000000, -0.0001250800000000 ] - [ 0.0022040300000000, 0.0006039900000000, 0.0041901900000000 ] - [ 0.0006076000000000, -0.0002716900000000, 0.0001250500000000 ] - [ 0.0006446900000000, -0.0003062100000000, 0.0000400800000000 ] - [ 0.0006145800000000, -0.0002712300000000, 0.0001316000000000 ] - [ -0.0024090200000000, 0.0013558300000000, 0.0016460500000000 ] - [ -0.0006489300000000, -0.0002998600000000, -0.0001485600000000 ] - [ -0.0006164800000000, -0.0002640200000000, -0.0001624200000000 ] - [ -0.0006046700000000, -0.0002695900000000, -0.0001293100000000 ] - [ -0.0042183900000000, 0.0030796900000000, -0.0027903600000000 ] - [ -0.0005520900000000, 0.0003080000000000, 0.0001345300000000 ] - [ -0.0006119200000000, 0.0002689800000000, 0.0001352800000000 ] - [ -0.0006072800000000, 0.0002717800000000, 0.0001276900000000 ] - [ 0.0007314500000000, -0.0003652300000000, -0.0000561300000000 ] - [ -0.0027336100000000, 0.0010974600000000, 0.0022794500000000 ] - [ 0.0006163400000000, -0.0002651700000000, -0.0001574000000000 ] - [ 0.0005741100000000, -0.0002901000000000, -0.0001297300000000 ] - [ 0.0012104300000000, 0.0019051300000000, -0.0019115900000000 ] - [ -0.0005635000000000, 0.0002404200000000, -0.0001079900000000 ] - [ -0.0005976000000000, 0.0002774000000000, -0.0000933600000000 ] - [ -0.0006086700000000, 0.0002728300000000, -0.0001269000000000 ] - [ -0.0009747300000000, 0.0011529800000000, -0.0038941000000000 ] - [ 0.0006068600000000, 0.0002730200000000, 0.0001314100000000 ] - [ 0.0005685200000000, 0.0002375600000000, 0.0002113900000000 ] - [ 0.0006001000000000, 0.0002728900000000, 0.0001239900000000 ] - [ 0.0001806500000000, -0.0013189800000000, 0.0008412900000000 ] - [ 0.0001899800000000, -0.0000278500000000, 0.0008391800000000 ] - [ 0.0001920900000000, 0.0002448200000000, 0.0008323900000000 ] - [ 0.0001886200000000, -0.0000030500000000, 0.0008393200000000 ] - [ -0.0022555800000000, -0.2686642400000000, 0.0013253200000000 ] - [ 0.0008071700000000, 0.0000198100000000, -0.0003844600000000 ] - [ 0.0008015700000000, 0.0000000500000000, -0.0003887600000000 ] - [ 0.0008051500000000, -0.0000025300000000, -0.0003857400000000 ] - [ 0.0007995500000000, -0.0000180100000000, 0.0003939800000000 ] - [ 0.0008042800000000, -0.0000178900000000, 0.0003840400000000 ] - [ 0.0008119200000000, 0.0004823000000000, 0.0003841500000000 ] - [ 0.0008064000000000, 0.0004824000000000, 0.0003887400000000 ] - [ -0.0008060700000000, 0.0002950100000000, -0.0004045200000000 ] - [ -0.0008034700000000, 0.0000369600000000, -0.0003865600000000 ] - [ -0.0008077800000000, 0.0002952000000000, -0.0003861700000000 ] - [ -0.0008041100000000, 0.0000369100000000, -0.0003858800000000 ] - [ -0.0007995700000000, 0.0038855600000000, 0.0003845200000000 ] - [ -0.0008167700000000, -0.0002502600000000, 0.0003833300000000 ] - [ -0.0008021800000000, 0.0000092200000000, 0.0003856700000000 ] - [ -0.0008060400000000, -0.0000107500000000, 0.0003846400000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, 0.0100000000000000 ] forces: - [ 0.0011631600000000, -0.0009070000000000, 0.0005529300000000 ] - [ 0.0003180700000000, -0.0006179200000000, 0.0005999500000000 ] - [ 0.0004288500000000, -0.0007035600000000, -0.0001921100000000 ] - [ 0.0005455200000000, -0.0007830000000000, -0.0001468600000000 ] - [ 0.0001919800000000, -0.0013929700000000, -0.0007118100000000 ] - [ 0.0003828200000000, 0.0005239900000000, 0.0000543200000000 ] - [ 0.0003454100000000, 0.0006254000000000, -0.0004886200000000 ] - [ 0.0004225500000000, 0.0005635900000000, -0.0001960100000000 ] - [ -0.0002038900000000, 0.0004238700000000, 0.0000617300000000 ] - [ -0.0008914600000000, 0.0007910500000000, -0.0004311600000000 ] - [ -0.0009165000000000, 0.0011039300000000, -0.0000551700000000 ] - [ 0.0007064600000000, 0.0002659300000000, -0.0003263900000000 ] - [ -0.0189954000000000, -0.0306210100000000, 0.0301955200000000 ] - [ -0.0005954500000000, -0.0007019100000000, 0.0000919700000000 ] - [ -0.0003085100000000, -0.0002861800000000, -0.0005046900000000 ] - [ -0.0003618900000000, -0.0004908400000000, -0.0002400400000000 ] - [ -0.0189954000000000, 0.0306210100000000, 0.0301955200000000 ] - [ -0.0005954500000000, 0.0007019100000000, 0.0000919700000000 ] - [ -0.0003085100000000, 0.0002861800000000, -0.0005046900000000 ] - [ -0.0003618900000000, 0.0004908400000000, -0.0002400400000000 ] - [ -0.0002038900000000, -0.0004238700000000, 0.0000617300000000 ] - [ -0.0008914600000000, -0.0007910500000000, -0.0004311600000000 ] - [ -0.0009165000000000, -0.0011039300000000, -0.0000551700000000 ] - [ 0.0007064600000000, -0.0002659300000000, -0.0003263900000000 ] - [ 0.0001919800000000, 0.0013929700000000, -0.0007118100000000 ] - [ 0.0003828200000000, -0.0005239900000000, 0.0000543200000000 ] - [ 0.0003454100000000, -0.0006254000000000, -0.0004886200000000 ] - [ 0.0004225500000000, -0.0005635900000000, -0.0001960100000000 ] - [ 0.0011631600000000, 0.0009070000000000, 0.0005529300000000 ] - [ 0.0003180700000000, 0.0006179200000000, 0.0005999500000000 ] - [ 0.0004288500000000, 0.0007035600000000, -0.0001921100000000 ] - [ 0.0005455200000000, 0.0007830000000000, -0.0001468600000000 ] - [ -0.0125136900000000, 0.0000000000000000, 0.1533893300000000 ] - [ 0.0005661300000000, 0.0000000000000000, 0.0013917900000000 ] - [ 0.0007212100000000, 0.0000000000000000, -0.0006750300000000 ] - [ 0.0006416400000000, 0.0000000000000000, 0.0001369700000000 ] - [ -0.0001028100000000, 0.0000000000000000, 0.0000297600000000 ] - [ 0.0013690000000000, 0.0000000000000000, 0.0013794900000000 ] - [ 0.0005579800000000, 0.0000000000000000, -0.0015520200000000 ] - [ 0.0005336100000000, 0.0000000000000000, -0.0016097500000000 ] - [ -0.0005525900000000, 0.0000000000000000, 0.0000259100000000 ] - [ -0.0006208700000000, 0.0000000000000000, 0.0005941800000000 ] - [ -0.0007708200000000, 0.0000000000000000, -0.0007857500000000 ] - [ -0.0005973600000000, 0.0000000000000000, 0.0006224400000000 ] - [ -0.0004798600000000, 0.0000000000000000, -0.0009512900000000 ] - [ -0.0009126100000000, 0.0000000000000000, -0.0002669300000000 ] - [ -0.0007355400000000, 0.0000000000000000, -0.0012963700000000 ] - [ -0.0003953500000000, 0.0000000000000000, -0.0014415600000000 ] - [ 0.0002812600000000, 0.0000000000000000, 0.0007182700000000 ] - [ 0.0472357900000000, 0.0000000000000000, 0.0408908500000000 ] - [ -0.0001014600000000, 0.0000000000000000, 0.0002905700000000 ] - [ -0.0000260100000000, 0.0000000000000000, -0.0000321700000000 ] - [ -0.0002726100000000, 0.0000000000000000, 0.0003175500000000 ] - [ 0.0005703300000000, 0.0000000000000000, -0.0001227600000000 ] - [ -0.0001249700000000, 0.0000000000000000, -0.0008611500000000 ] - [ -0.0002890200000000, 0.0000000000000000, -0.0007582300000000 ] - [ -0.0017256700000000, 0.0000000000000000, 0.0015786700000000 ] - [ -0.0000092600000000, 0.0000000000000000, 0.0006769200000000 ] - [ 0.0002766200000000, 0.0000000000000000, 0.0001479500000000 ] - [ -0.0001058000000000, 0.0000000000000000, 0.0003920700000000 ] - [ 0.0013116500000000, 0.0000000000000000, -0.0011738100000000 ] - [ -0.0002724300000000, 0.0000000000000000, -0.0005844100000000 ] - [ -0.0022317500000000, 0.0000000000000000, -0.0007928600000000 ] - [ 0.0007360700000000, 0.0000000000000000, -0.0006813600000000 ] - [ 0.0004467600000000, 0.0026753300000000, 0.0014359400000000 ] - [ -0.0007433100000000, -0.0003375300000000, 0.0001212100000000 ] - [ -0.0008436200000000, -0.0002675900000000, 0.0006307600000000 ] - [ -0.0005012400000000, -0.0003010700000000, 0.0002568000000000 ] - [ -0.0017020000000000, 0.0000000000000000, -0.0014785700000000 ] - [ 0.0019777700000000, 0.0000000000000000, -0.0009662400000000 ] - [ 0.0003275400000000, 0.0000000000000000, -0.0003318300000000 ] - [ 0.0001307800000000, 0.0000000000000000, -0.0004477900000000 ] - [ -0.0002719300000000, 0.0000000000000000, -0.0002906600000000 ] - [ -0.0002179400000000, 0.0000000000000000, 0.0006504300000000 ] - [ -0.0001311200000000, 0.0000000000000000, 0.0014288900000000 ] - [ -0.0001857700000000, 0.0000000000000000, 0.0010187500000000 ] - [ 0.0001514800000000, 0.0000000000000000, -0.0011653000000000 ] - [ -0.0007661300000000, 0.0000000000000000, -0.0010587500000000 ] - [ -0.0002907800000000, 0.0000000000000000, -0.0005621000000000 ] - [ -0.0000819800000000, 0.0000000000000000, -0.0005693600000000 ] - [ 0.0007239900000000, -0.0000051900000000, -0.0005617700000000 ] - [ -0.0034899000000000, -0.0026715000000000, -0.0020938400000000 ] - [ 0.0005533500000000, 0.0003428300000000, 0.0001038200000000 ] - [ 0.0005398900000000, 0.0002999000000000, 0.0002581100000000 ] - [ 0.0043194500000000, 0.0036625100000000, -0.0001811000000000 ] - [ 0.0004763700000000, -0.0001766900000000, -0.0001586200000000 ] - [ 0.0006326000000000, -0.0002514600000000, 0.0005141500000000 ] - [ 0.0007022400000000, -0.0003240200000000, 0.0003454600000000 ] - [ -0.0010425400000000, 0.0000347100000000, 0.0002763700000000 ] - [ -0.0003994500000000, -0.0001157000000000, -0.0001231900000000 ] - [ -0.0003448600000000, -0.0003165700000000, 0.0002815400000000 ] - [ -0.0007597100000000, -0.0004080900000000, 0.0000206500000000 ] - [ 0.0004467600000000, -0.0026753300000000, 0.0014359400000000 ] - [ -0.0007433100000000, 0.0003375300000000, 0.0001212100000000 ] - [ -0.0008436200000000, 0.0002675900000000, 0.0006307600000000 ] - [ -0.0005012400000000, 0.0003010700000000, 0.0002568000000000 ] - [ 0.0007239900000000, 0.0000051900000000, -0.0005617700000000 ] - [ -0.0034899000000000, 0.0026715000000000, -0.0020938400000000 ] - [ 0.0005533500000000, -0.0003428300000000, 0.0001038200000000 ] - [ 0.0005398900000000, -0.0002999000000000, 0.0002581100000000 ] - [ -0.0010425400000000, -0.0000347100000000, 0.0002763700000000 ] - [ -0.0003994500000000, 0.0001157000000000, -0.0001231900000000 ] - [ -0.0003448600000000, 0.0003165700000000, 0.0002815400000000 ] - [ -0.0007597100000000, 0.0004080900000000, 0.0000206500000000 ] - [ 0.0043194500000000, -0.0036625100000000, -0.0001811000000000 ] - [ 0.0004763700000000, 0.0001766900000000, -0.0001586200000000 ] - [ 0.0006326000000000, 0.0002514600000000, 0.0005141500000000 ] - [ 0.0007022400000000, 0.0003240200000000, 0.0003454600000000 ] - [ 0.0007187500000000, 0.0000000000000000, 0.0052058100000000 ] - [ 0.0001497000000000, 0.0000000000000000, 0.0008905900000000 ] - [ -0.0005609600000000, 0.0000000000000000, 0.0053167100000000 ] - [ 0.0003094000000000, 0.0000000000000000, 0.0008071300000000 ] - [ 0.0030325600000000, 0.0000000000000000, -0.2596270600000000 ] - [ 0.0008577700000000, 0.0000000000000000, -0.0009967900000000 ] - [ 0.0007378600000000, 0.0000000000000000, 0.0005988800000000 ] - [ 0.0008541800000000, 0.0000000000000000, 0.0000538800000000 ] - [ 0.0022665300000000, 0.0000000000000000, -0.0004543600000000 ] - [ -0.0010096700000000, 0.0000000000000000, -0.0004523900000000 ] - [ -0.0001002500000000, 0.0000000000000000, 0.0011362100000000 ] - [ 0.0014016500000000, 0.0000000000000000, 0.0011378800000000 ] - [ -0.0009602400000000, 0.0000000000000000, 0.0001406900000000 ] - [ -0.0007919100000000, 0.0000000000000000, -0.0003230000000000 ] - [ 0.0017360300000000, 0.0000000000000000, 0.0001358200000000 ] - [ -0.0008163200000000, 0.0000000000000000, -0.0003250300000000 ] - [ -0.0011875900000000, 0.0000000000000000, 0.0006872500000000 ] - [ -0.0008199200000000, 0.0000000000000000, 0.0001490900000000 ] - [ -0.0007853700000000, 0.0000000000000000, 0.0009203000000000 ] - [ -0.0009363600000000, 0.0000000000000000, 0.0009939500000000 ]- atom: 113 displacement: [ 0.0000000000000000, 0.0000000000000000, -0.0100000000000000 ] forces: - [ -0.0002886000000000, -0.0002846900000000, -0.0003860700000000 ] - [ 0.0005388900000000, -0.0005646400000000, -0.0004357600000000 ] - [ 0.0004174700000000, -0.0004641700000000, 0.0003547000000000 ] - [ 0.0003070200000000, -0.0003915200000000, 0.0003077800000000 ] - [ 0.0006533600000000, 0.0025372900000000, 0.0005395800000000 ] - [ 0.0004679000000000, 0.0006484400000000, -0.0002149600000000 ] - [ 0.0005024200000000, 0.0005394200000000, 0.0003236200000000 ] - [ 0.0004317000000000, 0.0006131500000000, 0.0000329400000000 ] - [ -0.0006522100000000, 0.0007607800000000, 0.0000961500000000 ] - [ 0.0000456200000000, 0.0003831800000000, 0.0005952700000000 ] - [ 0.0000664600000000, 0.0000656000000000, 0.0002198200000000 ] - [ -0.0015467900000000, 0.0009025200000000, 0.0004877400000000 ] - [ 0.0181967800000000, 0.0296860600000000, -0.0299120600000000 ] - [ -0.0002595200000000, -0.0004759800000000, -0.0002538100000000 ] - [ -0.0005360600000000, -0.0008779700000000, 0.0003373000000000 ] - [ -0.0004875200000000, -0.0006805300000000, 0.0000761700000000 ] - [ 0.0181967800000000, -0.0296860600000000, -0.0299120600000000 ] - [ -0.0002595200000000, 0.0004759800000000, -0.0002538100000000 ] - [ -0.0005360600000000, 0.0008779700000000, 0.0003373000000000 ] - [ -0.0004875200000000, 0.0006805300000000, 0.0000761700000000 ] - [ -0.0006522100000000, -0.0007607800000000, 0.0000961500000000 ] - [ 0.0000456200000000, -0.0003831800000000, 0.0005952700000000 ] - [ 0.0000664600000000, -0.0000656000000000, 0.0002198200000000 ] - [ -0.0015467900000000, -0.0009025200000000, 0.0004877400000000 ] - [ 0.0006533600000000, -0.0025372900000000, 0.0005395800000000 ] - [ 0.0004679000000000, -0.0006484400000000, -0.0002149600000000 ] - [ 0.0005024200000000, -0.0005394200000000, 0.0003236200000000 ] - [ 0.0004317000000000, -0.0006131500000000, 0.0000329400000000 ] - [ -0.0002886000000000, 0.0002846900000000, -0.0003860700000000 ] - [ 0.0005388900000000, 0.0005646400000000, -0.0004357600000000 ] - [ 0.0004174700000000, 0.0004641700000000, 0.0003547000000000 ] - [ 0.0003070200000000, 0.0003915200000000, 0.0003077800000000 ] - [ 0.0129557900000000, 0.0000000000000000, -0.1450792200000000 ] - [ 0.0006771900000000, 0.0000000000000000, -0.0000892000000000 ] - [ 0.0005207900000000, 0.0000000000000000, 0.0019839700000000 ] - [ 0.0006009800000000, 0.0000000000000000, 0.0011621100000000 ] - [ 0.0013351000000000, 0.0000000000000000, -0.0013283700000000 ] - [ -0.0001179200000000, 0.0000000000000000, -0.0026751100000000 ] - [ 0.0006850500000000, 0.0000000000000000, 0.0002538800000000 ] - [ 0.0007088300000000, 0.0000000000000000, 0.0003040000000000 ] - [ -0.0006899900000000, 0.0000000000000000, 0.0012540300000000 ] - [ -0.0006210500000000, 0.0000000000000000, 0.0006978000000000 ] - [ -0.0004724400000000, 0.0000000000000000, 0.0020817800000000 ] - [ -0.0006444600000000, 0.0000000000000000, 0.0006795400000000 ] - [ -0.0007613700000000, 0.0000000000000000, -0.0003572900000000 ] - [ -0.0003319500000000, 0.0000000000000000, -0.0010261900000000 ] - [ -0.0005070400000000, 0.0000000000000000, -0.0000124600000000 ] - [ -0.0008458000000000, 0.0000000000000000, 0.0001393000000000 ] - [ -0.0000778000000000, 0.0000000000000000, 0.0003393100000000 ] - [ -0.0480399100000000, 0.0000000000000000, -0.0396645900000000 ] - [ 0.0002964900000000, 0.0000000000000000, 0.0007638800000000 ] - [ 0.0002139900000000, 0.0000000000000000, 0.0010793600000000 ] - [ 0.0000557200000000, 0.0000000000000000, -0.0013734900000000 ] - [ -0.0007633800000000, 0.0000000000000000, -0.0009323000000000 ] - [ -0.0000738600000000, 0.0000000000000000, -0.0001973600000000 ] - [ 0.0000960800000000, 0.0000000000000000, -0.0002962100000000 ] - [ 0.0015204700000000, 0.0000000000000000, -0.0005152500000000 ] - [ -0.0001847000000000, 0.0000000000000000, 0.0003788500000000 ] - [ -0.0004693500000000, 0.0000000000000000, 0.0009042600000000 ] - [ -0.0000942900000000, 0.0000000000000000, 0.0006641400000000 ] - [ -0.0011272700000000, 0.0000000000000000, 0.0001197600000000 ] - [ 0.0004685300000000, 0.0000000000000000, -0.0004737200000000 ] - [ 0.0023950800000000, 0.0000000000000000, -0.0002657500000000 ] - [ -0.0005370500000000, 0.0000000000000000, -0.0003746400000000 ] - [ -0.0016690300000000, -0.0032493000000000, -0.0011762600000000 ] - [ -0.0004729100000000, -0.0002160600000000, 0.0001355100000000 ] - [ -0.0003717300000000, -0.0002848800000000, -0.0003742600000000 ] - [ -0.0007116900000000, -0.0002507700000000, -0.0000031700000000 ] - [ 0.0020721100000000, 0.0000000000000000, -0.0001860300000000 ] - [ -0.0015929600000000, 0.0000000000000000, -0.0007081300000000 ] - [ 0.0000507200000000, 0.0000000000000000, -0.0013388800000000 ] - [ 0.0002455900000000, 0.0000000000000000, -0.0012235800000000 ] - [ -0.0001014700000000, 0.0000000000000000, 0.0019465700000000 ] - [ -0.0001595500000000, 0.0000000000000000, 0.0010219600000000 ] - [ -0.0002447500000000, 0.0000000000000000, 0.0002473200000000 ] - [ -0.0001917000000000, 0.0000000000000000, 0.0006553000000000 ] - [ -0.0005267600000000, 0.0000000000000000, -0.0005126100000000 ] - [ 0.0003854400000000, 0.0000000000000000, -0.0006176100000000 ] - [ -0.0000863800000000, 0.0000000000000000, -0.0011079100000000 ] - [ -0.0002939100000000, 0.0000000000000000, -0.0011025100000000 ] - [ 0.0004898200000000, 0.0005523500000000, 0.0003027700000000 ] - [ 0.0046735700000000, 0.0031895900000000, 0.0018260200000000 ] - [ 0.0006609700000000, 0.0002087200000000, -0.0003568000000000 ] - [ 0.0006738800000000, 0.0002506500000000, -0.0005102900000000 ] - [ -0.0030590200000000, -0.0041681400000000, 0.0004453900000000 ] - [ 0.0007360900000000, -0.0003738700000000, 0.0004101500000000 ] - [ 0.0005820200000000, -0.0002982100000000, -0.0002589100000000 ] - [ 0.0005114600000000, -0.0002272100000000, -0.0000905300000000 ] - [ -0.0001697700000000, -0.0005904800000000, -0.0005192300000000 ] - [ -0.0008134400000000, -0.0004356000000000, -0.0001286300000000 ] - [ -0.0008672800000000, -0.0002358900000000, -0.0005338000000000 ] - [ -0.0004557900000000, -0.0001447700000000, -0.0002742000000000 ] - [ -0.0016690300000000, 0.0032493000000000, -0.0011762600000000 ] - [ -0.0004729100000000, 0.0002160600000000, 0.0001355100000000 ] - [ -0.0003717300000000, 0.0002848800000000, -0.0003742600000000 ] - [ -0.0007116900000000, 0.0002507700000000, -0.0000031700000000 ] - [ 0.0004898200000000, -0.0005523500000000, 0.0003027700000000 ] - [ 0.0046735700000000, -0.0031895900000000, 0.0018260200000000 ] - [ 0.0006609700000000, -0.0002087200000000, -0.0003568000000000 ] - [ 0.0006738800000000, -0.0002506500000000, -0.0005102900000000 ] - [ -0.0001697700000000, 0.0005904800000000, -0.0005192300000000 ] - [ -0.0008134400000000, 0.0004356000000000, -0.0001286300000000 ] - [ -0.0008672800000000, 0.0002358900000000, -0.0005338000000000 ] - [ -0.0004557900000000, 0.0001447700000000, -0.0002742000000000 ] - [ -0.0030590200000000, 0.0041681400000000, 0.0004453900000000 ] - [ 0.0007360900000000, 0.0003738700000000, 0.0004101500000000 ] - [ 0.0005820200000000, 0.0002982100000000, -0.0002589100000000 ] - [ 0.0005114600000000, 0.0002272100000000, -0.0000905300000000 ] - [ -0.0003511900000000, 0.0000000000000000, -0.0035887900000000 ] - [ 0.0002276400000000, 0.0000000000000000, 0.0007844200000000 ] - [ 0.0009284900000000, 0.0000000000000000, -0.0036043600000000 ] - [ 0.0000679200000000, 0.0000000000000000, 0.0008651700000000 ] - [ 0.0002323300000000, 0.0000000000000000, 0.2508016800000000 ] - [ 0.0007561100000000, 0.0000000000000000, 0.0002311900000000 ] - [ 0.0008794400000000, 0.0000000000000000, -0.0013544800000000 ] - [ 0.0007602100000000, 0.0000000000000000, -0.0008123400000000 ] - [ -0.0006344900000000, 0.0000000000000000, 0.0012063400000000 ] - [ 0.0026159200000000, 0.0000000000000000, 0.0012092100000000 ] - [ 0.0017265600000000, 0.0000000000000000, -0.0003742400000000 ] - [ 0.0002115900000000, 0.0000000000000000, -0.0003714400000000 ] - [ -0.0006508100000000, 0.0000000000000000, -0.0008881400000000 ] - [ -0.0008227300000000, 0.0000000000000000, -0.0004340500000000 ] - [ -0.0033273000000000, 0.0000000000000000, -0.0008923100000000 ] - [ -0.0007992700000000, 0.0000000000000000, -0.0004370000000000 ] - [ -0.0004387700000000, 0.0000000000000000, 0.0000885500000000 ] - [ -0.0007906100000000, 0.0000000000000000, 0.0006167800000000 ] - [ -0.0008286300000000, 0.0000000000000000, -0.0001590000000000 ] - [ -0.0006774000000000, 0.0000000000000000, -0.0002301800000000 ]